{
"Record": {
"RecordType": "CID",
"RecordNumber": 2244,
"RecordTitle": "Aspirin",
"Section": [
{
"TOCHeading": "Structures",
"Description": "Structure depictions of this compound, including computationally generated two-dimensional (2D) and three-dimensional (3D) structures, as well as experimentally determined 3D single-crystal structures.",
"Section": [
{
"TOCHeading": "2D Structure",
"Description": "A two-dimensional (2D) structure representation of the compound. Because this structure is processed through chemical structure standardization (Hähnke et al., J. Cheminform. 2018, 10, 36), it is not necessarily the same as the structures provided by individual data contributors. ",
"URL": "https://doi.org/10.1186/s13321-018-0293-8",
"DisplayControls": {
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"Boolean": [
true
]
}
}
]
},
{
"TOCHeading": "3D Conformer",
"Description": "A three-dimensional (3D) structure representation of the compound. This 3D structure is not experimentally determined, but computed by PubChem. This structure may or may not be the same as the inherent structure of the compound you would expect to see in vacuum or in the gas phase, because the underlying computational algorithm aims to generate a protein-bound structure, which would be observed in a protein-ligand complex. More detailed information on this conformer model can be found in Kim et al., J. Cheminform. 2013, 5, 1.",
"URL": "https://doi.org/10.1186/1758-2946-5-1",
"DisplayControls": {
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"Description": "Aspirin",
"Value": {
"Number": [
2244
]
}
}
]
},
{
"TOCHeading": "Crystal Structures",
"Description": "This section provides links to crystallographic information from various sources.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "Subsections",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"MoveToTop": true,
"ShowAtMost": 1
},
"Section": [
{
"TOCHeading": "CCDC Number",
"Description": "A 6- or 7-digit-long numeric identifier assigned to the crystal structure in the Cambridge Crystallographic Data Centre (CCDC).",
"URL": "https://www.ccdc.cam.ac.uk",
"Information": [
{
"ReferenceNumber": 175,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc66zzb",
"Value": {
"StringWithMarkup": [
{
"String": "185472"
}
]
}
},
{
"ReferenceNumber": 176,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6700f",
"Value": {
"StringWithMarkup": [
{
"String": "185473"
}
]
}
},
{
"ReferenceNumber": 177,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6701g",
"Value": {
"StringWithMarkup": [
{
"String": "185474"
}
]
}
},
{
"ReferenceNumber": 178,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6702h",
"Value": {
"StringWithMarkup": [
{
"String": "185475"
}
]
}
},
{
"ReferenceNumber": 179,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6k1md",
"Value": {
"StringWithMarkup": [
{
"String": "195133"
}
]
}
},
{
"ReferenceNumber": 180,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6k1nf",
"Value": {
"StringWithMarkup": [
{
"String": "195134"
}
]
}
},
{
"ReferenceNumber": 181,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6k1pg",
"Value": {
"StringWithMarkup": [
{
"String": "195135"
}
]
}
},
{
"ReferenceNumber": 182,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6k1qh",
"Value": {
"StringWithMarkup": [
{
"String": "195136"
}
]
}
},
{
"ReferenceNumber": 183,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6k1rj",
"Value": {
"StringWithMarkup": [
{
"String": "195137"
}
]
}
},
{
"ReferenceNumber": 184,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6k1sk",
"Value": {
"StringWithMarkup": [
{
"String": "195138"
}
]
}
},
{
"ReferenceNumber": 185,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc6k1tl",
"Value": {
"StringWithMarkup": [
{
"String": "195139"
}
]
}
},
{
"ReferenceNumber": 186,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cc9vfcx",
"Value": {
"StringWithMarkup": [
{
"String": "293519"
}
]
}
},
{
"ReferenceNumber": 187,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/ccnhr40",
"Value": {
"StringWithMarkup": [
{
"String": "610952"
}
]
}
},
{
"ReferenceNumber": 188,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/ccnqxbl",
"Value": {
"StringWithMarkup": [
{
"String": "617840"
}
]
}
},
{
"ReferenceNumber": 189,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/ccw6sqk",
"Value": {
"StringWithMarkup": [
{
"String": "810889"
}
]
}
},
{
"ReferenceNumber": 190,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/ccwk03j",
"Value": {
"StringWithMarkup": [
{
"String": "820697"
}
]
}
},
{
"ReferenceNumber": 191,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/ccwk04k",
"Value": {
"StringWithMarkup": [
{
"String": "820698"
}
]
}
},
{
"ReferenceNumber": 192,
"Name": "CCDC Number",
"URL": "http://doi.org/10.5517/cczc3dt",
"Value": {
"StringWithMarkup": [
{
"String": "904406"
}
]
}
}
]
},
{
"TOCHeading": "COD Number",
"Description": "An identifier assigned to the crystal structure in the Crystallography Open Database (COD).",
"URL": "https://www.crystallography.net/cod",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 15,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/1515581.html",
"Value": {
"StringWithMarkup": [
{
"String": "1515581"
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/1515582.html",
"Value": {
"StringWithMarkup": [
{
"String": "1515582"
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/2104857.html",
"Value": {
"StringWithMarkup": [
{
"String": "2104857"
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/4506597.html",
"Value": {
"StringWithMarkup": [
{
"String": "4506597"
}
]
}
},
{
"ReferenceNumber": 19,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/5000034.html",
"Value": {
"StringWithMarkup": [
{
"String": "5000034"
}
]
}
},
{
"ReferenceNumber": 20,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7050897.html",
"Value": {
"StringWithMarkup": [
{
"String": "7050897"
}
]
}
},
{
"ReferenceNumber": 21,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7050898.html",
"Value": {
"StringWithMarkup": [
{
"String": "7050898"
}
]
}
},
{
"ReferenceNumber": 22,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7050899.html",
"Value": {
"StringWithMarkup": [
{
"String": "7050899"
}
]
}
},
{
"ReferenceNumber": 23,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7050900.html",
"Value": {
"StringWithMarkup": [
{
"String": "7050900"
}
]
}
},
{
"ReferenceNumber": 24,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7050901.html",
"Value": {
"StringWithMarkup": [
{
"String": "7050901"
}
]
}
},
{
"ReferenceNumber": 25,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7050902.html",
"Value": {
"StringWithMarkup": [
{
"String": "7050902"
}
]
}
},
{
"ReferenceNumber": 26,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7050903.html",
"Value": {
"StringWithMarkup": [
{
"String": "7050903"
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "COD Number",
"URL": "https://www.crystallography.net/cod/7126911.html",
"Value": {
"StringWithMarkup": [
{
"String": "7126911"
}
]
}
},
{
"ReferenceNumber": 28,
"Name": "COD records with this CID as component",
"Value": {
"StringWithMarkup": [
{
"String": "2009276",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=Crystallography+Open+Database&sourceid=2009276"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Associated Article",
"Description": "Publication associated with the crystal structure of the compound. Typically it is the paper in which the crystal structure was originally reported.",
"Information": [
{
"ReferenceNumber": 15,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.. Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation. Chemical Science 2011;2(11):2236-. DOI: 10.1039/c1sc00430a",
"Markup": [
{
"Start": 253,
"Length": 33,
"URL": "http://doi.org/10.1039/c1sc00430a"
},
{
"Start": 162,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.. Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation. Chemical Science 2011;2(11):2236-. DOI: 10.1039/c1sc00430a",
"Markup": [
{
"Start": 253,
"Length": 33,
"URL": "http://doi.org/10.1039/c1sc00430a"
},
{
"Start": 162,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chan, E. J.; Welberry, T. R.; Heerdegen, A. P.; Goossens, D. J.. Diffuse scattering study of aspirin forms (I) and (II). Acta Crystallographica Section B 2010;66(6):696-707. DOI: 10.1107/S0108768110037055",
"Markup": [
{
"Start": 179,
"Length": 40,
"URL": "http://doi.org/10.1107/S0108768110037055"
},
{
"Start": 93,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Arputharaj, David Stephen; Hathwar, Venkatesha R.; Guru Row, Tayur N.; Kumaradhas, Poomani. Topological Electron Density Analysis and Electrostatic Properties of Aspirin: An Experimental and Theoretical Study. Crystal Growth & Design 2012;12(9):4357-. DOI: 10.1021/cg300269n",
"Markup": [
{
"Start": 257,
"Length": 32,
"URL": "http://doi.org/10.1021/cg300269n"
},
{
"Start": 162,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 19,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Kim, Y.; Machida, K.; Taga, T.; Osaki, K.. Structure redetermination and packing analysis of aspirin crystal. Chemical & pharmaceutical bulletin 1985;33(7):2641-2647.",
"Markup": [
{
"Start": 93,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 20,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chick Wilson. Interesting proton behaviour in molecular structures. Variable temperature neutron diffraction and ab initio study of acetylsalicylic acid: characterising librational motions and comparing protons in different hydrogen bonding potentials. New Journal of Chemistry 2002;:-. DOI: 10.1039/b203775k",
"Markup": [
{
"Start": 292,
"Length": 31,
"URL": "http://doi.org/10.1039/b203775k"
},
{
"Start": 132,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 224,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
}
]
}
]
}
},
{
"ReferenceNumber": 21,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chick Wilson. Interesting proton behaviour in molecular structures. Variable temperature neutron diffraction and ab initio study of acetylsalicylic acid: characterising librational motions and comparing protons in different hydrogen bonding potentials. New Journal of Chemistry 2002;:-. DOI: 10.1039/b203775k",
"Markup": [
{
"Start": 292,
"Length": 31,
"URL": "http://doi.org/10.1039/b203775k"
},
{
"Start": 132,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 224,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
}
]
}
]
}
},
{
"ReferenceNumber": 22,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chick Wilson. Interesting proton behaviour in molecular structures. Variable temperature neutron diffraction and ab initio study of acetylsalicylic acid: characterising librational motions and comparing protons in different hydrogen bonding potentials. New Journal of Chemistry 2002;:-. DOI: 10.1039/b203775k",
"Markup": [
{
"Start": 292,
"Length": 31,
"URL": "http://doi.org/10.1039/b203775k"
},
{
"Start": 132,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 224,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
}
]
}
]
}
},
{
"ReferenceNumber": 23,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chick Wilson. Interesting proton behaviour in molecular structures. Variable temperature neutron diffraction and ab initio study of acetylsalicylic acid: characterising librational motions and comparing protons in different hydrogen bonding potentials. New Journal of Chemistry 2002;:-. DOI: 10.1039/b203775k",
"Markup": [
{
"Start": 292,
"Length": 31,
"URL": "http://doi.org/10.1039/b203775k"
},
{
"Start": 132,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 224,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
}
]
}
]
}
},
{
"ReferenceNumber": 24,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chick Wilson. Interesting proton behaviour in molecular structures. Variable temperature neutron diffraction and ab initio study of acetylsalicylic acid: characterising librational motions and comparing protons in different hydrogen bonding potentials. New Journal of Chemistry 2002;:-. DOI: 10.1039/b203775k",
"Markup": [
{
"Start": 292,
"Length": 31,
"URL": "http://doi.org/10.1039/b203775k"
},
{
"Start": 132,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 224,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
}
]
}
]
}
},
{
"ReferenceNumber": 25,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chick Wilson. Interesting proton behaviour in molecular structures. Variable temperature neutron diffraction and ab initio study of acetylsalicylic acid: characterising librational motions and comparing protons in different hydrogen bonding potentials. New Journal of Chemistry 2002;:-. DOI: 10.1039/b203775k",
"Markup": [
{
"Start": 292,
"Length": 31,
"URL": "http://doi.org/10.1039/b203775k"
},
{
"Start": 132,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 224,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
}
]
}
]
}
},
{
"ReferenceNumber": 26,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Chick Wilson. Interesting proton behaviour in molecular structures. Variable temperature neutron diffraction and ab initio study of acetylsalicylic acid: characterising librational motions and comparing protons in different hydrogen bonding potentials. New Journal of Chemistry 2002;:-. DOI: 10.1039/b203775k",
"Markup": [
{
"Start": 292,
"Length": 31,
"URL": "http://doi.org/10.1039/b203775k"
},
{
"Start": 132,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 224,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
}
]
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "Associated Article",
"Value": {
"StringWithMarkup": [
{
"String": "Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming. A general method for cultivating single crystals from melt microdroplets.. Chemical communications (Cambridge, England) 2020;56(69):9950-9953. DOI: 10.1039/d0cc03157g",
"Markup": [
{
"Start": 204,
"Length": 33,
"URL": "http://doi.org/10.1039/d0cc03157g"
}
]
}
]
}
},
{
"ReferenceNumber": 175,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203379h"
],
"URL": "http://doi.org/10.1039/b203379h",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203379h"
}
]
}
},
{
"ReferenceNumber": 176,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203379h"
],
"URL": "http://doi.org/10.1039/b203379h",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203379h"
}
]
}
},
{
"ReferenceNumber": 177,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203379h"
],
"URL": "http://doi.org/10.1039/b203379h",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203379h"
}
]
}
},
{
"ReferenceNumber": 178,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203379h"
],
"URL": "http://doi.org/10.1039/b203379h",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203379h"
}
]
}
},
{
"ReferenceNumber": 179,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203775k"
],
"URL": "http://doi.org/10.1039/b203775k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203775k"
}
]
}
},
{
"ReferenceNumber": 180,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203775k"
],
"URL": "http://doi.org/10.1039/b203775k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203775k"
}
]
}
},
{
"ReferenceNumber": 181,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203775k"
],
"URL": "http://doi.org/10.1039/b203775k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203775k"
}
]
}
},
{
"ReferenceNumber": 182,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203775k"
],
"URL": "http://doi.org/10.1039/b203775k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203775k"
}
]
}
},
{
"ReferenceNumber": 183,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203775k"
],
"URL": "http://doi.org/10.1039/b203775k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203775k"
}
]
}
},
{
"ReferenceNumber": 184,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203775k"
],
"URL": "http://doi.org/10.1039/b203775k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203775k"
}
]
}
},
{
"ReferenceNumber": 185,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/b203775k"
],
"URL": "http://doi.org/10.1039/b203775k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/b203775k"
}
]
}
},
{
"ReferenceNumber": 186,
"Name": "Associated Article",
"Reference": [
"doi:10.1021/ja056455b"
],
"URL": "http://doi.org/10.1021/ja056455b",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1021/ja056455b"
}
]
}
},
{
"ReferenceNumber": 187,
"Name": "Associated Article",
"Reference": [
"doi:10.1002/anie.200602378"
],
"URL": "http://doi.org/10.1002/anie.200602378",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1002/anie.200602378"
}
]
}
},
{
"ReferenceNumber": 188,
"Name": "Associated Article",
"Reference": [
"doi:10.1002/anie.200603373"
],
"URL": "http://doi.org/10.1002/anie.200603373",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1002/anie.200603373"
}
]
}
},
{
"ReferenceNumber": 189,
"Name": "Associated Article",
"Reference": [
"doi:10.1107/S0108768110037055"
],
"URL": "http://doi.org/10.1107/S0108768110037055",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1107/S0108768110037055"
}
]
}
},
{
"ReferenceNumber": 190,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/c1sc00430a"
],
"URL": "http://doi.org/10.1039/c1sc00430a",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/c1sc00430a"
}
]
}
},
{
"ReferenceNumber": 191,
"Name": "Associated Article",
"Reference": [
"doi:10.1039/c1sc00430a"
],
"URL": "http://doi.org/10.1039/c1sc00430a",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1039/c1sc00430a"
}
]
}
},
{
"ReferenceNumber": 192,
"Name": "Associated Article",
"Reference": [
"doi:10.1021/cg300269n"
],
"URL": "http://doi.org/10.1021/cg300269n",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.1021/cg300269n"
}
]
}
}
]
},
{
"TOCHeading": "Crystal Structure Data",
"Description": "Information about this crystal structure record.",
"Information": [
{
"ReferenceNumber": 15,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/1515581.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30583678_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 15,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 15,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 15,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 15,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "12.1016"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 15,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.4721"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 15,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.3344"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 15,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 15,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "111.593"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 15,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 15,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 15,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 15,
"Name": "Residual factor",
"Value": {
"StringWithMarkup": [
{
"String": "0.0522"
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/1515582.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30583679_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 16,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "12.3578"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 16,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5315"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 16,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.4964"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 16,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 16,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "112.436"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 16,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 16,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 16,
"Name": "Residual factor",
"Value": {
"StringWithMarkup": [
{
"String": "0.0592"
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/2104857.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30617807_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 17,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "12.2696"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 17,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5575"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 17,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.4960"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 17,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 17,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "68.163"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 17,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 17,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 17,
"Name": "Residual factor",
"Value": {
"StringWithMarkup": [
{
"String": "0.0580"
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/4506597.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30728871_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 18,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.2680"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 18,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5498"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 18,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.2646"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 18,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 18,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.933"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 18,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 18,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 18,
"Name": "Residual factor",
"Value": {
"StringWithMarkup": [
{
"String": "0.0761"
}
]
}
},
{
"ReferenceNumber": 19,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/5000034.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30734727_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 19,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 19,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 19,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 19,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.430"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 19,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.591"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 19,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.395"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 19,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 19,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.68"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 19,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 19,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 19,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 20,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7050897.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30759805_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 20,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 20,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 20,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 20,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.233"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 20,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5440"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 20,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.231"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 20,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 20,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.89"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 20,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 20,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 20,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 21,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7050898.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30759806_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 21,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 21,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 21,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 21,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.273"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 21,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5550"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 21,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.271"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 21,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 21,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.82"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 21,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 21,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 21,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 22,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7050899.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30759807_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 22,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 22,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 22,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 22,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.305"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 22,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5630"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 22,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.305"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 22,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 22,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.88"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 22,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 22,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 22,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 23,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7050900.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30759808_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 23,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 23,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 23,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 23,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.186"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 23,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5400"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 23,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.217"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 23,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 23,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "96.07"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 23,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 23,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 23,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 24,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7050901.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30759809_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 24,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 24,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 24,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 24,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.340"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 24,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5740"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 24,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.318"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 24,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 24,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.87"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 24,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 24,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 24,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 25,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7050902.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30759810_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 25,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 25,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 25,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 25,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.416"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 25,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.598"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 25,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.483"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 25,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 25,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.60"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 25,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 25,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 25,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 26,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7050903.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30759811_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 26,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 26,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 26,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 26,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.204"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 26,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.5440"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 26,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.223"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 26,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 26,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.95"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 26,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90.00"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 26,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 26,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "Crystal Structure Depiction",
"URL": "https://www.crystallography.net/cod/7126911.html",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/30778522_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 27,
"Name": "Hermann-Mauguin space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "P 1 21/c 1"
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "Hall space group symbol",
"Value": {
"StringWithMarkup": [
{
"String": "-P 2ybc"
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "Space group number",
"Value": {
"StringWithMarkup": [
{
"String": "14"
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "a",
"Value": {
"StringWithMarkup": [
{
"String": "11.2582"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 27,
"Name": "b",
"Value": {
"StringWithMarkup": [
{
"String": "6.54710"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 27,
"Name": "c",
"Value": {
"StringWithMarkup": [
{
"String": "11.2600"
}
],
"Unit": "Å"
}
},
{
"ReferenceNumber": 27,
"Name": "α",
"Value": {
"StringWithMarkup": [
{
"String": "90"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 27,
"Name": "β",
"Value": {
"StringWithMarkup": [
{
"String": "95.949"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 27,
"Name": "γ",
"Value": {
"StringWithMarkup": [
{
"String": "90"
}
],
"Unit": "°"
}
},
{
"ReferenceNumber": 27,
"Name": "Z",
"Value": {
"StringWithMarkup": [
{
"String": "4"
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "Z'",
"Value": {
"StringWithMarkup": [
{
"String": "1"
}
]
}
},
{
"ReferenceNumber": 27,
"Name": "Residual factor",
"Value": {
"StringWithMarkup": [
{
"String": "0.0701"
}
]
}
},
{
"ReferenceNumber": 175,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc66zzb"
],
"URL": "http://doi.org/10.5517/cc66zzb",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc66zzb"
}
]
}
},
{
"ReferenceNumber": 175,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc66zzb",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3319169_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 176,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6700f"
],
"URL": "http://doi.org/10.5517/cc6700f",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6700f"
}
]
}
},
{
"ReferenceNumber": 176,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6700f",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3319170_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 177,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6701g"
],
"URL": "http://doi.org/10.5517/cc6701g",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6701g"
}
]
}
},
{
"ReferenceNumber": 177,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6701g",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3319171_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 178,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6702h"
],
"URL": "http://doi.org/10.5517/cc6702h",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6702h"
}
]
}
},
{
"ReferenceNumber": 178,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6702h",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3319172_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 179,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6k1md"
],
"URL": "http://doi.org/10.5517/cc6k1md",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6k1md"
}
]
}
},
{
"ReferenceNumber": 179,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6k1md",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3320907_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 180,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6k1nf"
],
"URL": "http://doi.org/10.5517/cc6k1nf",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6k1nf"
}
]
}
},
{
"ReferenceNumber": 180,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6k1nf",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3320908_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 181,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6k1pg"
],
"URL": "http://doi.org/10.5517/cc6k1pg",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6k1pg"
}
]
}
},
{
"ReferenceNumber": 181,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6k1pg",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3320909_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 182,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6k1qh"
],
"URL": "http://doi.org/10.5517/cc6k1qh",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6k1qh"
}
]
}
},
{
"ReferenceNumber": 182,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6k1qh",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3320910_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 183,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6k1rj"
],
"URL": "http://doi.org/10.5517/cc6k1rj",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6k1rj"
}
]
}
},
{
"ReferenceNumber": 183,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6k1rj",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3320911_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 184,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6k1sk"
],
"URL": "http://doi.org/10.5517/cc6k1sk",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6k1sk"
}
]
}
},
{
"ReferenceNumber": 184,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6k1sk",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3320912_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 185,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc6k1tl"
],
"URL": "http://doi.org/10.5517/cc6k1tl",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc6k1tl"
}
]
}
},
{
"ReferenceNumber": 185,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc6k1tl",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3320913_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 186,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cc9vfcx"
],
"URL": "http://doi.org/10.5517/cc9vfcx",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cc9vfcx"
}
]
}
},
{
"ReferenceNumber": 186,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cc9vfcx",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3339933_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 187,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/ccnhr40"
],
"URL": "http://doi.org/10.5517/ccnhr40",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/ccnhr40"
}
]
}
},
{
"ReferenceNumber": 187,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/ccnhr40",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3343333_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 188,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/ccnqxbl"
],
"URL": "http://doi.org/10.5517/ccnqxbl",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/ccnqxbl"
}
]
}
},
{
"ReferenceNumber": 188,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/ccnqxbl",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3344673_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 189,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/ccw6sqk"
],
"URL": "http://doi.org/10.5517/ccw6sqk",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/ccw6sqk"
}
]
}
},
{
"ReferenceNumber": 189,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/ccw6sqk",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3381958_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 190,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/ccwk03j"
],
"URL": "http://doi.org/10.5517/ccwk03j",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/ccwk03j"
}
]
}
},
{
"ReferenceNumber": 190,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/ccwk03j",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3383938_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 191,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/ccwk04k"
],
"URL": "http://doi.org/10.5517/ccwk04k",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/ccwk04k"
}
]
}
},
{
"ReferenceNumber": 191,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/ccwk04k",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3383939_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 192,
"Name": "Crystal Structure Data",
"Reference": [
"doi:10.5517/cczc3dt"
],
"URL": "http://doi.org/10.5517/cczc3dt",
"Value": {
"StringWithMarkup": [
{
"String": "DOI:10.5517/cczc3dt"
}
]
}
},
{
"ReferenceNumber": 192,
"Name": "Crystal Structure Depiction",
"URL": "http://doi.org/10.5517/cczc3dt",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/3399057_1"
],
"MimeType": "image/png"
}
}
]
}
]
}
]
},
{
"TOCHeading": "Chemical Safety",
"Description": "Link to the Safety and Hazard section of this page and link to the Laboratory Chemical Safety Summary (LCSS) datasheet for this compound.",
"DisplayControls": {
"HideThisSection": true,
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"Name": "Chemical Safety",
"Value": {
"StringWithMarkup": [
{
"String": " ",
"Markup": [
{
"Start": 0,
"Length": 1,
"URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg",
"Type": "Icon",
"Extra": "Irritant"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Names and Identifiers",
"Description": "Chemical names, synonyms, identifiers, and descriptors.",
"Section": [
{
"TOCHeading": "Record Description",
"Description": "Summary Information",
"DisplayControls": {
"HideThisSection": true,
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 4,
"Description": "Physical Description",
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid appears as odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992)",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 8,
"Name": "Record Description",
"Description": "Ontology Summary",
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid is a member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a platelet aggregation inhibitor, an antipyretic, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, a prostaglandin antagonist, a teratogenic agent, an anticoagulant, a plant activator, an EC 1.1.1.188 (prostaglandin-F synthase) inhibitor, a drug allergen and a geroprotector. It is a member of benzoic acids, a member of salicylates and a member of phenyl acetates. It is functionally related to a salicylic acid. It is a conjugate acid of an acetylsalicylate.",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 71,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 99,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
"Type": "PubChem Internal Link",
"Extra": "Element-Hydrogen"
},
{
"Start": 141,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydroxy",
"Type": "PubChem Internal Link",
"Extra": "CID-961"
},
{
"Start": 765,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 810,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-3434975"
}
]
}
]
}
},
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "Also known as Aspirin, acetylsalicylic acid (ASA) is a commonly used drug for the treatment of pain and fever due to various causes. Acetylsalicylic acid has both anti-inflammatory and antipyretic effects. This drug also inhibits platelet aggregation and is used in the prevention of blood clots stroke, and myocardial infarction (MI). Interestingly, the results of various studies have demonstrated that long-term use of acetylsalicylic acid may decrease the risk of various cancers, including colorectal, esophageal, breast, lung, prostate, liver and skin cancer. Aspirin is classified as a non-selective cyclooxygenase (COX) inhibitor and is available in many doses and forms, including chewable tablets, suppositories, extended release formulations, and others. Acetylsalicylic acid is a very common cause of accidental poisoning in young children. It should be kept out of reach from young children, toddlers, and infants.",
"Markup": [
{
"Start": 14,
"Length": 7,
"Type": "Italics"
},
{
"Start": 597,
"Length": 44,
"Type": "Italics"
},
{
"Start": 14,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 23,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 133,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 426,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 570,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 772,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 54,
"Description": "FDA Pharmacology Summary",
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin is a Nonsteroidal Anti-inflammatory Drug and Platelet Aggregation Inhibitor. The mechanism of action of aspirin is as a Cyclooxygenase Inhibitor. The physiologic effect of aspirin is by means of Decreased Prostaglandin Production and Decreased Platelet Aggregation.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 112,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 180,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 81,
"Description": "LiverTox Summary",
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin or acetylsalicylic acid is perhaps the most commonly used analgesic and antipyretic medication worldwide, having been in clinical use for over 100 years. Aspirin can cause several forms of liver injury: in high doses, aspirin can cause moderate to marked serum aminotransferase elevations occasionally with jaundice or signs of liver dysfunction, and in lower doses in susceptible children with a febrile illness aspirin can lead to Reye syndrome.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 11,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 162,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 226,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 421,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 82,
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin is a natural product found in Brassica napus, Ixora coccinea, and Glycyrrhiza glabra with data available.",
"Markup": [
{
"Start": 38,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/3708#section=Natural-Products"
},
{
"Start": 54,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/43503#section=Natural-Products"
},
{
"Start": 74,
"Length": 18,
"URL": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/49827#section=Natural-Products"
},
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 140,
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin is an orally administered non-steroidal antiinflammatory agent. Acetylsalicylic acid binds to and acetylates serine residues in cyclooxygenases, resulting in decreased synthesis of prostaglandin, platelet aggregation, and inflammation. This agent exhibits analgesic, antipyretic, and anticoagulant properties.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 72,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 117,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/serine",
"Type": "PubChem Internal Link",
"Extra": "CID-5951"
}
]
}
]
}
},
{
"ReferenceNumber": 174,
"Name": "Record Description",
"Description": "Ontology Summary",
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid (acetosal) or aspirin is only found in individuals who have consumed this drug. Acetylsalicylic acid is a drug in the family of salicylates, often used as an analgesic (against minor pains and aches), antipyretic (against fever), and anti-inflammatory. It has also an anticoagulant effect and is used in long-term low-doses to prevent heart attacks and cancer. It was isolated from meadowsweet (Filipendula ulmaria, formerly classified as Spiraea ulmaria) by German researchers in 1839. While their extract was somewhat effective, it also caused digestive problems such as irritated stomach and diarrhoea, and even death when consumed in high doses. In 1853, a French chemist named Charles Frederic Gerhardt neutralized salicylic acid by buffering it with sodium (sodium salicylate) and acetyl chloride, creating acetosalicylic anhydride. Gerhardt's product worked, but he had no desire to market it and abandoned his discovery. In 1897, researcher Arthur Eichengrun and Felix Hoffmann, a research assistant at Friedrich Bayer & Co. in Germany, derivatized one of the hydroxyl functional groups in salicylic acid with an acetyl group (forming the acetyl ester), which greatly reduced the negative effects. This was the first synthetic drug, not a copy of something that existed in nature, and the start of the pharmaceuticals industry. The name 'aspirin' is composed of a- (from the acetyl group) -spir- (from the plant genus Spiraea) and -in (a common ending for drugs at the time). It has also been stated that the name originated by another means. As referring to AcetylSalicylic and 'pir' in reference to one of the scientists who was able to isolate it in crystalline form, Raffaele Piria. Finally 'in' due to the same reasons as stated above. Salicylic acid (which is a naturally occurring substance found in many plants) can be acetylated using acetic anhydride, yielding aspirin and acetic acid as a byproduct. It is a common experiment performed in organic chemistry labs, and generally tends to produce low yields due to the relative difficulty of its extraction from an aqueous state. The trick to getting the reaction to work is to acidify with phosphoric acid and heat the reagents under reflux with a boiling water bath for between 40 minutes and an hour. Aspirin acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5).",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 22,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetosal",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 35,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 101,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 741,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 777,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Sodium",
"Type": "PubChem Internal Link",
"Extra": "Element-Sodium"
},
{
"Start": 785,
"Length": 17,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/sodium%20salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-16760658"
},
{
"Start": 808,
"Length": 15,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetyl%20chloride",
"Type": "PubChem Internal Link",
"Extra": "CID-6367"
},
{
"Start": 1119,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 1367,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1419,
"Length": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/spir",
"Type": "PubChem Internal Link",
"Extra": "CID-21700"
},
{
"Start": 1770,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 1873,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20anhydride",
"Type": "PubChem Internal Link",
"Extra": "CID-7918"
},
{
"Start": 1900,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1912,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
},
{
"Start": 2178,
"Length": 15,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phosphoric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-1004"
},
{
"Start": 2244,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 2291,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 2409,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 209,
"Value": {
"StringWithMarkup": [
{
"String": "The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5)"
}
]
}
},
{
"ReferenceNumber": 210,
"Name": "See Also",
"Value": {
"StringWithMarkup": [
{
"String": "See also: Acetaminophen; Aspirin; Caffeine (component of); Aspirin; caffeine; orphenadrine citrate (component of); Aspirin; Dipyridamole (component of) ... View More ...",
"Markup": [
{
"Start": 10,
"Length": 32,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetaminophen%3B%20Aspirin%3B%20Caffeine"
},
{
"Start": 59,
"Length": 39,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20caffeine%3B%20orphenadrine%20citrate"
},
{
"Start": 115,
"Length": 21,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Dipyridamole"
},
{
"Start": 156,
"Length": 9,
"URL": "#section=Other-Relationships"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Computed Descriptors",
"Description": "Structural descriptors generated or computed for the structures of this compound, including the IUPAC name, InChI/InChIKey, and canonical/isomeric SMILES.",
"Section": [
{
"TOCHeading": "IUPAC Name",
"Description": "Chemical name of this compound, computed from its structure based on the International Union of Pure and Applied Chemistry (IUPAC) nomenclature standards.",
"URL": "https://iupac.org/what-we-do/nomenclature/",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "2-acetyloxybenzoic acid"
}
]
}
}
]
},
{
"TOCHeading": "InChI",
"Description": "The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. The InChI is an International Union of Pure and Applied Chemistry (IUPAC) standard.",
"URL": "https://iupac.org/who-we-are/divisions/division-details/inchi/",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by InChI 1.0.6 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)"
}
]
}
}
]
},
{
"TOCHeading": "InChIKey",
"Description": "An InChIKey is a 27-character hash code derived from an InChI. The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. The InChI is an International Union of Pure and Applied Chemistry (IUPAC) standard. ",
"URL": "https://iupac.org/who-we-are/divisions/division-details/inchi/",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by InChI 1.0.6 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"
}
]
}
}
]
},
{
"TOCHeading": "Canonical SMILES",
"Description": "The Simplified Molecular-Input Line-Entry System (SMILES) is a widely-used line notation for chemical structures. PubChem computes two kinds of SMILES strings for compounds: canonical SMILES (computed from chemical structures devoid of isotopic and stereochemical information), and isomeric SMILES (computed from chemical structures containing isotopic and stereochemical information). This section shows the canonical SMILES of the compound.",
"URL": "https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by OEChem 2.3.0 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "CC(=O)OC1=CC=CC=C1C(=O)O"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Molecular Formula",
"Description": "A chemical formula is a way of expressing information about the proportions of atoms that constitute a particular chemical compound, using a single line of chemical element symbols and numbers. PubChem uses the Hill system, whereby the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms second, and then the number of all other chemical elements in alphabetical order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically. Sources other than PubChem may include a variant of the formula that is more structural or natural to chemists, for example, H2SO4 for sulfuric acid, rather than the Hill version H2O4S.",
"URL": "https://pubs.acs.org/doi/abs/10.1021/ja02046a005",
"DisplayControls": {
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 2,
"Value": {
"StringWithMarkup": [
{
"String": "C9H8O4"
}
]
}
},
{
"ReferenceNumber": 4,
"Value": {
"StringWithMarkup": [
{
"String": "C9H8O4"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "C9H8O4",
"Markup": [
{
"Start": 1,
"Length": 1,
"Type": "Subscript"
},
{
"Start": 3,
"Length": 1,
"Type": "Subscript"
},
{
"Start": 5,
"Length": 1,
"Type": "Subscript"
}
]
},
{
"String": "CH3COOC6H4COOH",
"Markup": [
{
"Start": 2,
"Length": 1,
"Type": "Subscript"
},
{
"Start": 7,
"Length": 1,
"Type": "Subscript"
},
{
"Start": 9,
"Length": 1,
"Type": "Subscript"
}
]
}
]
}
},
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem 2.2 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "C9H8O4"
}
]
}
}
]
},
{
"TOCHeading": "Other Identifiers",
"Description": "Other identifiers assigned to this chemical.",
"Section": [
{
"TOCHeading": "CAS",
"Description": "A CAS Registry Number (also called CAS RN or CAS Number) is a proprietary registry number assigned by the Chemical Abstracts Service (CAS) division of the American Chemical Society (ACS). It is a numeric identifier that can contain up to 10 digits, divided by hyphens into three parts.",
"URL": "https://www.cas.org/support/documentation/chemical-substances/faqs",
"Information": [
{
"ReferenceNumber": 1,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 4,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 5,
"URL": "https://commonchemistry.cas.org/detail?cas_rn=50-78-2",
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 11,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 41,
"Name": "CAS",
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 42,
"Name": "CAS",
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 43,
"Name": "CAS",
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 45,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 46,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 49,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 52,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 56,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 57,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 141,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
},
{
"ReferenceNumber": 155,
"Value": {
"StringWithMarkup": [
{
"String": "50-78-2"
}
]
}
}
]
},
{
"TOCHeading": "Deprecated CAS",
"Description": "The Chemical Abstract Service (CAS) registry numbers that are no longer used. These numbers are old, deprecated, and/or deleted, but users may still encounter them in some (old) references.",
"Information": [
{
"ReferenceNumber": 11,
"Value": {
"StringWithMarkup": [
{
"String": "11126-35-5, 11126-37-7, 2087491-38-9, 2349-94-2, 26914-13-6, 98201-60-6",
"Markup": [
{
"Start": 0,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/11126-35-5",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 45,
"Value": {
"StringWithMarkup": [
{
"String": "11126-35-5, 11126-37-7, 2087491-38-9, 2349-94-2, 26914-13-6, 98201-60-6",
"Markup": [
{
"Start": 0,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/11126-35-5",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 46,
"Value": {
"StringWithMarkup": [
{
"String": "11126-35-5, 11126-37-7, 2349-94-2, 26914-13-6",
"Markup": [
{
"Start": 0,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/11126-35-5",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "European Community (EC) Number",
"Description": "The European Community (EC) number is a seven-digit identifier assigned by the European Chemicals Agency (ECHA) to substances for regulatory purposes within the European Union. EC numbers are sometimes referred to as EINECS, ELINCS, or NLP numbers, because the EC Inventory comprises three individual inventories (EINECS, ELINCS, and the NLP list).",
"URL": "https://echa.europa.eu/information-on-chemicals/ec-inventory",
"Information": [
{
"ReferenceNumber": 49,
"URL": "https://chem.echa.europa.eu/100.000.059",
"Value": {
"StringWithMarkup": [
{
"String": "200-064-1"
}
]
}
}
]
},
{
"TOCHeading": "UNII",
"Description": "UNique Ingredient Identifier (UNII) code for this chemical. It is a non-proprietary registry number assigned by the U.S. Food and Drug Administration (FDA).",
"URL": "https://www.fda.gov/industry/fda-data-standards-advisory-board/fdas-global-substance-registration-system",
"Information": [
{
"ReferenceNumber": 52,
"URL": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R16CO5Y76E",
"Value": {
"StringWithMarkup": [
{
"String": "R16CO5Y76E"
}
]
}
}
]
},
{
"TOCHeading": "UN Number",
"Description": "United Nations numbers (UN numbers) are four-digit numbers assigned by the United Nations Committee of Experts on the Transport of Dangerous Goods. They are used in international commerce and transportation to identify hazardous materials and articles (such as explosives, flammable liquids, oxidizers, toxic liquids, etc.). With a few exceptions, UN numbers are usually identical to DOT (Department of Transportation) IDs [also known as NA (North America) numbers], which are issued by the United States Department of Transportation. Therefore, UN numbers are also called DOT IDs and NA numbers.",
"URL": "https://www.phmsa.dot.gov/hazmat/erg/emergency-response-guidebook-erg",
"Information": [
{
"ReferenceNumber": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/erg/#2811 (ACETYLSALICYLIC ACID)",
"Value": {
"StringWithMarkup": [
{
"String": "2811 (ACETYLSALICYLIC ACID)",
"Markup": [
{
"Start": 6,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "ChEBI ID",
"Description": "Identifier from database and ontology of molecular entities focused on 'small' chemical compounds used by the Chemical Entities of Biological Interest (ChEBI)",
"URL": "https://www.ebi.ac.uk/chebi/",
"Information": [
{
"ReferenceNumber": 8,
"URL": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15365",
"Value": {
"StringWithMarkup": [
{
"String": "CHEBI:15365"
}
]
}
}
]
},
{
"TOCHeading": "ChEMBL ID",
"Description": "ChEMBL compound identifier",
"URL": "https://www.ebi.ac.uk/chembl/",
"Information": [
{
"ReferenceNumber": 9,
"URL": "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL25/",
"Value": {
"StringWithMarkup": [
{
"String": "CHEMBL25"
}
]
}
}
]
},
{
"TOCHeading": "DrugBank ID",
"Description": "Drug identifier used by the DrugBank database",
"URL": "https://go.drugbank.com/",
"Information": [
{
"ReferenceNumber": 32,
"URL": "https://www.drugbank.ca/drugs/DB00945",
"Value": {
"StringWithMarkup": [
{
"String": "DB00945"
}
]
}
}
]
},
{
"TOCHeading": "DSSTox Substance ID",
"Description": "Substance identifier used in the Distributed Structure-Searchable Toxicity (DSSTox) Database.",
"URL": "https://www.epa.gov/chemical-research/distributed-structure-searchable-toxicity-dsstox-database",
"Information": [
{
"ReferenceNumber": 46,
"URL": "https://comptox.epa.gov/dashboard/DTXSID5020108",
"Value": {
"StringWithMarkup": [
{
"String": "DTXSID5020108"
}
]
}
}
]
},
{
"TOCHeading": "HMDB ID",
"Description": "A chemical substance identifier from the HMDB database",
"URL": "https://hmdb.ca/",
"Information": [
{
"ReferenceNumber": 57,
"URL": "https://hmdb.ca/metabolites/HMDB0001879",
"Value": {
"StringWithMarkup": [
{
"String": "HMDB0001879"
}
]
}
}
]
},
{
"TOCHeading": "ICSC Number",
"Description": "A numeric identifier for this compound, used in the International Labour Organization's (ILO's) International Chemical Safety Cards (ICSC).",
"URL": "https://www.ilo.org/safework/info/publications/WCMS_113134/lang--en/index.htm",
"Information": [
{
"ReferenceNumber": 74,
"URL": "https://www.ilo.org/dyn/icsc/showcard.display?p_card_id=0822",
"Value": {
"StringWithMarkup": [
{
"String": "0822"
}
]
}
}
]
},
{
"TOCHeading": "KEGG ID",
"Description": "KEGG compound/drug identifier",
"URL": "https://www.kegg.jp/",
"Information": [
{
"ReferenceNumber": 78,
"URL": "https://www.kegg.jp/entry/C01405",
"Value": {
"StringWithMarkup": [
{
"String": "C01405"
}
]
}
},
{
"ReferenceNumber": 79,
"URL": "https://www.kegg.jp/entry/D00109",
"Value": {
"StringWithMarkup": [
{
"String": "D00109"
}
]
}
}
]
},
{
"TOCHeading": "Metabolomics Workbench ID",
"Description": "Registration number used by Metabolomics Workbench",
"URL": "https://www.metabolomicsworkbench.org/",
"Information": [
{
"ReferenceNumber": 120,
"URL": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37905",
"Value": {
"StringWithMarkup": [
{
"String": "37905"
}
]
}
}
]
},
{
"TOCHeading": "NCI Thesaurus Code",
"Description": "Stable, unique code for biomedical concept",
"URL": "https://ncithesaurus.nci.nih.gov",
"Information": [
{
"ReferenceNumber": 140,
"URL": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C287",
"Value": {
"StringWithMarkup": [
{
"String": "C287"
}
]
}
}
]
},
{
"TOCHeading": "Nikkaji Number",
"Description": "Substance identifier used in the Japan Chemical Substance Dictionary (Nikkaji).",
"URL": "https://jglobal.jst.go.jp/en/",
"Information": [
{
"ReferenceNumber": 77,
"URL": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.300K",
"Value": {
"StringWithMarkup": [
{
"String": "J2.300K"
}
]
}
}
]
},
{
"TOCHeading": "NSC Number",
"Description": "The National Service Center (NSC) number is a numeric identifier for substances submitted to the National Cancer Institute (NCI) for testing and evaluation. It is a registration number for the Developmental Therapeutics Program (DTP) repository.",
"URL": "https://dtp.cancer.gov/organization/dscb/compoundSubmission/faqs.htm",
"DisplayControls": {
"ShowAtMost": 3
},
"Information": [
{
"ReferenceNumber": 41,
"Name": "NSC Number",
"URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755899",
"Value": {
"StringWithMarkup": [
{
"String": "755899"
}
]
}
},
{
"ReferenceNumber": 42,
"Name": "NSC Number",
"URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406186",
"Value": {
"StringWithMarkup": [
{
"String": "406186"
}
]
}
},
{
"ReferenceNumber": 43,
"Name": "NSC Number",
"URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27223",
"Value": {
"StringWithMarkup": [
{
"String": "27223"
}
]
}
}
]
},
{
"TOCHeading": "Pharos Ligand ID",
"Description": "Ligand identifier used by Pharos",
"URL": "https://pharos.nih.gov/",
"Information": [
{
"ReferenceNumber": 156,
"URL": "https://pharos.nih.gov/ligands/NNQ793F142LD",
"Value": {
"StringWithMarkup": [
{
"String": "NNQ793F142LD"
}
]
}
}
]
},
{
"TOCHeading": "RXCUI",
"Description": "RxNorm concept unique identifier (RXCUI)",
"URL": "https://www.nlm.nih.gov/research/umls/rxnorm/index.html",
"Information": [
{
"ReferenceNumber": 152,
"URL": "https://rxnav.nlm.nih.gov/id/rxnorm/1191",
"Value": {
"StringWithMarkup": [
{
"String": "1191"
}
]
}
}
]
},
{
"TOCHeading": "Wikidata",
"Description": "Wikidata entity identifier for the given compound.",
"URL": "https://www.wikidata.org/w/index.php?title=Special:WhatLinksHere/Property:P662",
"Information": [
{
"ReferenceNumber": 204,
"URL": "https://www.wikidata.org/wiki/Q18216",
"Value": {
"StringWithMarkup": [
{
"String": "Q18216"
}
]
}
}
]
},
{
"TOCHeading": "Wikipedia",
"Description": "Wikidata entity identifier for this compound.",
"Information": [
{
"ReferenceNumber": 205,
"URL": "https://en.wikipedia.org/wiki/Dictionary_of_chemical_formulas",
"Value": {
"StringWithMarkup": [
{
"String": "Indole-2-carboxylic acid"
}
]
}
},
{
"ReferenceNumber": 206,
"URL": "https://en.wikipedia.org/wiki/Aspirin",
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin"
}
]
}
},
{
"ReferenceNumber": 207,
"URL": "https://en.wikipedia.org/wiki/Aspirin",
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Synonyms",
"Description": "Alternative names for this PubChem Compound record. A compound can have many different names. For example, acetone (CH3C(=O)CH3) is also known as propanone, propan-2-one, or dimethyl ketone. The brand name of a product is commonly used to indicate the primary chemical ingredient(s) in the product (e.g., Tylenol, a common pain killer, is often used for acetaminophen, its active ingredient). Another example of common synonyms is record identifiers used in different data collections, such as Chemical Abstract Service (CAS) registry numbers, FDA UNII (Unique Ingredient Identifiers), and many others. All these various names and identifiers that designate this compound are organized under the Synonyms section.",
"Section": [
{
"TOCHeading": "MeSH Entry Terms",
"Description": "Medical Subject Heading (MeSH) names or identifiers matching this PubChem Compound record. The matching between the MeSH and compound records is performed by name matching (i.e., identical common names), as described in Kim et al., J. Cheminform., 2016, 8, 32.",
"URL": "http://doi.org/10.1186/s13321-016-0142-6",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 209,
"Value": {
"StringWithMarkup": [
{
"String": "2-(Acetyloxy)benzoic Acid"
},
{
"String": "Acetylsalicylic Acid"
},
{
"String": "Acetysal"
},
{
"String": "Acid, Acetylsalicylic"
},
{
"String": "Acylpyrin"
},
{
"String": "Aloxiprimum"
},
{
"String": "Aspirin"
},
{
"String": "Colfarit"
},
{
"String": "Dispril"
},
{
"String": "Easprin"
},
{
"String": "Ecotrin"
},
{
"String": "Endosprin"
},
{
"String": "Magnecyl"
},
{
"String": "Micristin"
},
{
"String": "Polopirin"
},
{
"String": "Polopiryna"
},
{
"String": "Solprin"
},
{
"String": "Solupsan"
},
{
"String": "Zorprin"
}
]
}
}
]
},
{
"TOCHeading": "Depositor-Supplied Synonyms",
"Description": "Chemical names provided by individual data contributors. Synonyms of Substances corresponding to a PubChem Compound record are combined. Some contributed names may be considered erroneous and filtered out. The link on each synonym shows which depositors provided that particular synonym for this structure.",
"DisplayControls": {
"ListType": "Columns",
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"StringWithMarkup": [
{
"String": "aspirin"
},
{
"String": "ACETYLSALICYLIC ACID"
},
{
"String": "50-78-2"
},
{
"String": "2-Acetoxybenzoic acid"
},
{
"String": "2-(Acetyloxy)benzoic acid"
},
{
"String": "Acetosal"
},
{
"String": "O-Acetylsalicylic acid"
},
{
"String": "o-Acetoxybenzoic acid"
},
{
"String": "Acenterine"
},
{
"String": "Acetophen"
},
{
"String": "Acylpyrin"
},
{
"String": "Easprin"
},
{
"String": "Ecotrin"
},
{
"String": "Salicylic acid acetate"
},
{
"String": "Acetosalin"
},
{
"String": "Aspirdrops"
},
{
"String": "Polopiryna"
},
{
"String": "Salcetogen"
},
{
"String": "Aceticyl"
},
{
"String": "Acetonyl"
},
{
"String": "Acetylin"
},
{
"String": "Acetylsalicylate"
},
{
"String": "Acidum acetylsalicylicum"
},
{
"String": "Benaspir"
},
{
"String": "Colfarit"
},
{
"String": "Empirin"
},
{
"String": "Endydol"
},
{
"String": "Measurin"
},
{
"String": "Rhodine"
},
{
"String": "Saletin"
},
{
"String": "o-Carboxyphenyl acetate"
},
{
"String": "Enterosarein"
},
{
"String": "Enterosarine"
},
{
"String": "Acetisal"
},
{
"String": "Acetylsal"
},
{
"String": "Aspirine"
},
{
"String": "Bialpirinia"
},
{
"String": "Entericin"
},
{
"String": "Enterophen"
},
{
"String": "Micristin"
},
{
"String": "Pharmacin"
},
{
"String": "Premaspin"
},
{
"String": "Salacetin"
},
{
"String": "Solpyron"
},
{
"String": "Temperal"
},
{
"String": "Acesal"
},
{
"String": "Acisal"
},
{
"String": "Asagran"
},
{
"String": "Asteric"
},
{
"String": "Duramax"
},
{
"String": "Ecolen"
},
{
"String": "Extren"
},
{
"String": "Globoid"
},
{
"String": "Helicon"
},
{
"String": "Idragin"
},
{
"String": "Rhonal"
},
{
"String": "Aspro"
},
{
"String": "Novid"
},
{
"String": "Rheumintabletten"
},
{
"String": "Yasta"
},
{
"String": "Solprin acid"
},
{
"String": "Benzoic acid, 2-(acetyloxy)-"
},
{
"String": "Acimetten"
},
{
"String": "Bialpirina"
},
{
"String": "Claradin"
},
{
"String": "Clariprin"
},
{
"String": "Delgesic"
},
{
"String": "Entrophen"
},
{
"String": "Globentyl"
},
{
"String": "Neuronika"
},
{
"String": "Acetilum acidulatum"
},
{
"String": "Cemirit"
},
{
"String": "Decaten"
},
{
"String": "Levius"
},
{
"String": "Pirseal"
},
{
"String": "Solfrin"
},
{
"String": "Acetilsalicilico"
},
{
"String": "Adiro"
},
{
"String": "Aspec"
},
{
"String": "Acetosalic acid"
},
{
"String": "2-acetyloxybenzoic acid"
},
{
"String": "Dolean pH 8"
},
{
"String": "Triple-sal"
},
{
"String": "Spira-Dine"
},
{
"String": "ZORprin"
},
{
"String": "Contrheuma retard"
},
{
"String": "Bi-prin"
},
{
"String": "XAXA"
},
{
"String": "Acido acetilsalicilico"
},
{
"String": "Acide acetylsalicylique"
},
{
"String": "Persistin"
},
{
"String": "Bayer"
},
{
"String": "2-Carboxyphenyl acetate"
},
{
"String": "A.S.A. empirin"
},
{
"String": "ASA"
},
{
"String": "8-hour Bayer"
},
{
"String": "Endosprin"
},
{
"String": "Kapsazal"
},
{
"String": "Asatard"
},
{
"String": "Durlaza"
},
{
"String": "Bayer Plus"
},
{
"String": "Acetylsalicylsaure"
},
{
"String": "Rheumin tabletten"
},
{
"String": "Solprin"
},
{
"String": "Tasprin"
},
{
"String": "Nu-seals aspirin"
},
{
"String": "Salicylic acid, acetate"
},
{
"String": "Acido O-acetil-benzoico"
},
{
"String": "Kyselina acetylsalicylova"
},
{
"String": "2-Acetoxybenzenecarboxylic acid"
},
{
"String": "Acetylsalicylsaeure"
},
{
"String": "Azetylsalizylsaeure"
},
{
"String": "SP 189"
},
{
"String": "St. Joseph Aspirin for Adults"
},
{
"String": "A.S.A."
},
{
"String": "St. Joseph"
},
{
"String": "Kyselina 2-acetoxybenzoova"
},
{
"String": "AC 5230"
},
{
"String": "Acetylsalicyclic acid"
},
{
"String": "Acetylsalicylicum acidum"
},
{
"String": "Aspropharm"
},
{
"String": "Cardioaspirin"
},
{
"String": "Acetard"
},
{
"String": "CHEBI:15365"
},
{
"String": "acetyl salicylate"
},
{
"String": "benzoic acid, 2-acetoxy-"
},
{
"String": "S-211"
},
{
"String": "ECM"
},
{
"String": "NSC-27223"
},
{
"String": "acide 2-(acetyloxy)benzoique"
},
{
"String": "Bayer Extra Strength Aspirin for Migraine Pain"
},
{
"String": "Aspirin (Standard)"
},
{
"String": "NSC-406186"
},
{
"String": "R16CO5Y76E"
},
{
"String": "DTXSID5020108"
},
{
"String": "2-(acetyloxy)benzoate"
},
{
"String": "o-(Acetyloxy)benzoic acid"
},
{
"String": "BAY1019036"
},
{
"String": "DTXCID50108"
},
{
"String": "Acetylsalicylic acid (who-ip)"
},
{
"String": "AXOTAL COMPONENT ASPIRIN"
},
{
"String": "AZDONE COMPONENT ASPIRIN"
},
{
"String": "CODOXY COMPONENT ASPIRIN"
},
{
"String": "AGGRENOX COMPONENT ASPIRIN"
},
{
"String": "Aspirin form II"
},
{
"String": "DUOCOVER COMPONENT ASPIRIN"
},
{
"String": "EXCEDRIN COMPONENT ASPIRIN"
},
{
"String": "FIORINAL COMPONENT ASPIRIN"
},
{
"String": "NORGESIC COMPONENT ASPIRIN"
},
{
"String": "PERCODAN COMPONENT ASPIRIN"
},
{
"String": "Q-GESIC COMPONENT ASPIRIN"
},
{
"String": "ROXIPRIN COMPONENT ASPIRIN"
},
{
"String": "VICOPRIN COMPONENT ASPIRIN"
},
{
"String": "YOSPRALA COMPONENT ASPIRIN"
},
{
"String": "DUOPLAVIN COMPONENT ASPIRIN"
},
{
"String": "EQUAGESIC COMPONENT ASPIRIN"
},
{
"String": "INVAGESIC COMPONENT ASPIRIN"
},
{
"String": "LANORINAL COMPONENT ASPIRIN"
},
{
"String": "MICRAININ COMPONENT ASPIRIN"
},
{
"String": "ROBAXISAL COMPONENT ASPIRIN"
},
{
"String": "component of Midol"
},
{
"String": "NSC27223"
},
{
"String": "ORPHENGESIC COMPONENT ASPIRIN"
},
{
"String": "SYNALGOS-DC COMPONENT ASPIRIN"
},
{
"String": "component of Synirin"
},
{
"String": "MFCD00002430"
},
{
"String": "NSC406186"
},
{
"String": "component of Zactirin"
},
{
"String": "MEPRO-ASPIRIN COMPONENT ASPIRIN"
},
{
"String": "PERCODAN-DEMI COMPONENT ASPIRIN"
},
{
"String": "PRAVIGARD PAC COMPONENT ASPIRIN"
},
{
"String": "SOMA COMPOUND COMPONENT ASPIRIN"
},
{
"String": "component of Coricidin"
},
{
"String": "component of Persistin"
},
{
"String": "component of Robaxisal"
},
{
"String": "o-Acetoxybenzoate"
},
{
"String": "DARVON COMPOUND COMPONENT ASPIRIN"
},
{
"String": "INVAGESIC FORTE COMPONENT ASPIRIN"
},
{
"String": "TALWIN COMPOUND COMPONENT ASPIRIN"
},
{
"String": "NCGC00015067-04"
},
{
"String": "Acetysal"
},
{
"String": "ACIDUM ACETYLSALICYLICUM (WHO-IP)"
},
{
"String": "Istopirin"
},
{
"String": "Magnecyl"
},
{
"String": "Medisyl"
},
{
"String": "Polopirin"
},
{
"String": "ORPHENGESIC FORTE COMPONENT ASPIRIN"
},
{
"String": "Ronal"
},
{
"String": "ASPIRIN (MART.)"
},
{
"String": "ASPIRIN [MART.]"
},
{
"String": "Bayer Buffered"
},
{
"String": "Aspro Clear"
},
{
"String": "component of Ascodeen-30"
},
{
"String": "ASPIRIN (USP-RS)"
},
{
"String": "ASPIRIN [USP-RS]"
},
{
"String": "WLN: QVR BOV1"
},
{
"String": "aspirin (acetylsalicylic acid)"
},
{
"String": "Aspirina 03"
},
{
"String": "Acetylsalycilic acid"
},
{
"String": "acetyl salicylic acid"
},
{
"String": "ASPIRIN (USP MONOGRAPH)"
},
{
"String": "ASPIRIN [USP MONOGRAPH]"
},
{
"String": "component of Darvon with A.S.A"
},
{
"String": "Bayer Aspirin 8 Hour"
},
{
"String": "Asaphen"
},
{
"String": "Aspalon"
},
{
"String": "Asprin"
},
{
"String": "Bayer Children's Aspirin"
},
{
"String": "Nu-seals"
},
{
"String": "component of St. Joseph Cold Tablets"
},
{
"String": "Aspir-Mox"
},
{
"String": "Durlaza ER"
},
{
"String": "Acetylsalicylsaure [German]"
},
{
"String": "CAS-50-78-2"
},
{
"String": "Acetoxybenzoic acid"
},
{
"String": "Acetysalicylic acid"
},
{
"String": "AIN"
},
{
"String": "SMR000059138"
},
{
"String": "Ascoden-30"
},
{
"String": "CCRIS 3243"
},
{
"String": "HSDB 652"
},
{
"String": "Acide acetylsalicylique [French]"
},
{
"String": "Acido acetilsalicilico [Italian]"
},
{
"String": "Kyselina acetylsalicylova [Czech]"
},
{
"String": "Acido O-acetil-benzoico [Italian]"
},
{
"String": "SR-01000075668"
},
{
"String": "Kyselina 2-acetoxybenzoova [Czech]"
},
{
"String": "EINECS 200-064-1"
},
{
"String": "NSC 27223"
},
{
"String": "Aspirin [USP:BAN:JAN]"
},
{
"String": "Bayer Enteric 325 mg Regular Strength"
},
{
"String": "BRN 0779271"
},
{
"String": "vetality"
},
{
"String": "Bay E4465"
},
{
"String": "UNII-R16CO5Y76E"
},
{
"String": "Bayer Enteric 81 mg Adult Low Strength"
},
{
"String": "Cardioaspirina"
},
{
"String": "Acetyonyl"
},
{
"String": "Angettes"
},
{
"String": "Asacard"
},
{
"String": "Ascolong"
},
{
"String": "Aspirina"
},
{
"String": "AspirinChewable"
},
{
"String": "Bayer Enteric 500 mg Arthritis Strength"
},
{
"String": "Cardiprin"
},
{
"String": "Claragine"
},
{
"String": "Colsprin"
},
{
"String": "Encaprin"
},
{
"String": "Fasprin"
},
{
"String": "Medpurine"
},
{
"String": "Miniasal"
},
{
"String": "Salospir"
},
{
"String": "Acesan"
},
{
"String": "careone aspirin"
},
{
"String": "Toldex"
},
{
"String": "Aramark Aspirin"
},
{
"String": "Aspirin Powder"
},
{
"String": "Aspirin Regimen"
},
{
"String": "AspirinEC"
},
{
"String": "Canine Aspirin"
},
{
"String": "Coated Aspirin"
},
{
"String": "Enteric Aspirin"
},
{
"String": "Equate Aspirin"
},
{
"String": "Leader Aspirin"
},
{
"String": "Rapidol Aspirin"
},
{
"String": "Rexall Aspirin"
},
{
"String": "Sunmark Aspirin"
},
{
"String": "Topcare Aspirin"
},
{
"String": "AI3-02956"
},
{
"String": "Aspirin Bolus"
},
{
"String": "Aspirin Nsaid"
},
{
"String": "Bayer Aspirin"
},
{
"String": "Rugby Aspirin"
},
{
"String": "Aspi-cor"
},
{
"String": "Buffered Aspirin"
},
{
"String": "Chewable Aspirin"
},
{
"String": "Equaline Aspirin"
},
{
"String": "Geritrex Aspirin"
},
{
"String": "McKesson Aspirin"
},
{
"String": "AspirinNSAID"
},
{
"String": "Azetylsalizylsaure"
},
{
"String": "Aspirin EC"
},
{
"String": "aspirinpain relief"
},
{
"String": "Childrens Aspirin"
},
{
"String": "Unishield Aspirin"
},
{
"String": "ASA Empirin"
},
{
"String": "1oxr"
},
{
"String": "2-Acetoxybenzoate"
},
{
"String": "Aspirin 5 Grain"
},
{
"String": "Care One Aspirin"
},
{
"String": "Bufferin Arthritis"
},
{
"String": "ULINE Aspirin"
},
{
"String": "CAREALL Aspirin"
},
{
"String": "MooreBrand Aspirin"
},
{
"String": "Aspica (Aspirin)"
},
{
"String": "Aspirin 81mg"
},
{
"String": "Dg Health Aspirin"
},
{
"String": "Medi-first Aspirin"
},
{
"String": "Basic Care Aspirin"
},
{
"String": "caring mill aspirin"
},
{
"String": "Dr Pausins Aspirin"
},
{
"String": "Good Sense Aspirin"
},
{
"String": "rugby adult aspirin"
},
{
"String": "Aspirin 325mg"
},
{
"String": "Aspirin 81"
},
{
"String": "Aspirin 81 mg"
},
{
"String": "Aspirin,(S)"
},
{
"String": "Up and Up Aspirin"
},
{
"String": "Aspalon (JAN)"
},
{
"String": "Durlaza (TN)"
},
{
"String": "Easprin (TN)"
},
{
"String": "Health Mart Aspirin"
},
{
"String": "MBR Aspirin Powder"
},
{
"String": "Pain Relief Aspirin"
},
{
"String": "Solves-aspirinCherry"
},
{
"String": "Aspirin 325 mg"
},
{
"String": "Aspirin Pain reliver"
},
{
"String": "Tri-buffered Aspirin"
},
{
"String": "acetyl-salicylic acid"
},
{
"String": "Aspirin 325"
},
{
"String": "Aspirin 50 CT"
},
{
"String": "AspirinEnteric Coated"
},
{
"String": "ASPRISOL"
},
{
"String": "Crane Safety Aspirin"
},
{
"String": "equate aspirinchewable"
},
{
"String": "Health Sense Ecpirin"
},
{
"String": "Henry Schein Aspirin"
},
{
"String": "sunmark adult aspirin"
},
{
"String": "Travel Savvy Aspirin"
},
{
"String": "VAZALORE"
},
{
"String": "ASPIRINLow Strength"
},
{
"String": "acetyl salicyclic acid"
},
{
"String": "Adult Aspirin Regimen"
},
{
"String": "Aspirin Bolus-240"
},
{
"String": "AspirinDelayed Release"
},
{
"String": "Bayer Aspirin Regimen"
},
{
"String": "Bayer Genuine Aspirin"
},
{
"String": "Direct Safety Aspirin"
},
{
"String": "Moore Medical Aspirin"
},
{
"String": "o-(Acetyloxy)benzoate"
},
{
"String": "Rapid Comfort Aspirin"
},
{
"String": "Safety Coated Aspirin"
},
{
"String": "signature care aspirin"
},
{
"String": "Aspirinregular strength"
},
{
"String": "ASSURED ASPIRIN"
},
{
"String": "Percodan (Salt/Mix)"
},
{
"String": "Adult Chewable Aspirin"
},
{
"String": "Biovanta Double Action"
},
{
"String": "Enteric Coated Aspirin"
},
{
"String": "Extra Strength Aspirin"
},
{
"String": "ADVANCED ASPIRIN"
},
{
"String": "Ascriptin (Salt/Mix)"
},
{
"String": "Micrainin (Salt/Mix)"
},
{
"String": "VALUMEDS ASPIRIN"
},
{
"String": "2-acetoxy benzoic acid"
},
{
"String": "Aspirin tablet 325mg"
},
{
"String": "Chewable Aspirin 81mg"
},
{
"String": "Dye-Free Aspirin 81"
},
{
"String": "Family Wellness Aspirin"
},
{
"String": "Physicians Care Aspirin"
},
{
"String": "RHODINE NC RP"
},
{
"String": "Signature Care Aspririn"
},
{
"String": "Spectrum_001245"
},
{
"String": "2-Acetylsalicyclic acid"
},
{
"String": "First Aid Only Aspirin"
},
{
"String": "Acide acetyl salicylique"
},
{
"String": "ASPIRIN [VANDF]"
},
{
"String": "Medique at Home Aspirin"
},
{
"String": "ASPIRIN [HSDB]"
},
{
"String": "Aspirin Regular Strength"
},
{
"String": "Ecotrin Regular Strength"
},
{
"String": "Medi-First Plus Aspirin"
},
{
"String": "Medique Products Aspirin"
},
{
"String": "Regular Strength Aspirin"
},
{
"String": "Salicylic acid, acetyl-"
},
{
"String": "ASPIRIN [JAN]"
},
{
"String": "Bayer PlusExtra Strength"
},
{
"String": "Circle K Aspirin 325"
},
{
"String": "Pharbest Aspirin 325mg"
},
{
"String": "ASPIRIN [MI]"
},
{
"String": "CHEMBL25"
},
{
"String": "health mart adult aspirin"
},
{
"String": "Spectrum2_001899"
},
{
"String": "Spectrum3_001295"
},
{
"String": "Spectrum4_000099"
},
{
"String": "Spectrum5_000740"
},
{
"String": "Aspirin (JP17/USP)"
},
{
"String": "Lopac-A-5376"
},
{
"String": "Salycylacetylsalicylic acid"
},
{
"String": "ASPIRIN480"
},
{
"String": "BAYER 500 mg"
},
{
"String": "Chronic Pain/Fever Relief"
},
{
"String": "CARDIASPIRIN PROTECT"
},
{
"String": "NobleAid PAIN RELIEVER"
},
{
"String": "Berkley and Jensen Aspirin"
},
{
"String": "Epitope ID:114151"
},
{
"String": "Percodan Demi (Salt/Mix)"
},
{
"String": "Soma Compound (Salt/Mix)"
},
{
"String": "EC 200-064-1"
},
{
"String": "PL2200 component aspirin"
},
{
"String": "Acetylsalicylic acid, 99%"
},
{
"String": "ASPIRINEXTRA STRENGTH"
},
{
"String": "cid_2244"
},
{
"String": "Pravigard PAC (Salt/Mix)"
},
{
"String": "SCHEMBL1353"
},
{
"String": "Up and Up Chewable Aspirin"
},
{
"String": "ASPIRIN BOLUS-480"
},
{
"String": "AspirinEnteric Safety Coated"
},
{
"String": "AspirinEnteric Safety-Coated"
},
{
"String": "Regular Strength Aspirin EC"
},
{
"String": "2-(Acetyloxy)-benzoic acid"
},
{
"String": "Aspirin-PC component aspirin"
},
{
"String": "Bay-e-4465"
},
{
"String": "Plus PharmaNSAID 325 mg"
},
{
"String": "365 Everyday Value Aspirin"
},
{
"String": "Alka-Seltzer Original Flavor"
},
{
"String": "Aspirin 81mg Enteric coated"
},
{
"String": "AspirinLow Strength, Enteric"
},
{
"String": "Critical Care Aspirin To Go"
},
{
"String": "Lopac0_000038"
},
{
"String": "ASPIRIN 325 MG EC"
},
{
"String": "KBioGR_000398"
},
{
"String": "KBioGR_002271"
},
{
"String": "KBioSS_001725"
},
{
"String": "KBioSS_002272"
},
{
"String": "4-10-00-00138 (Beilstein Handbook Reference)"
},
{
"String": "MLS001055329"
},
{
"String": "MLS001066332"
},
{
"String": "MLS001336045"
},
{
"String": "MLS001336046"
},
{
"String": "ASPIRIN [ORANGE BOOK]"
},
{
"String": "BAYER Aspirin Extra Strength"
},
{
"String": "BIDD:GT0118"
},
{
"String": "DivK1c_000555"
},
{
"String": "Lil Drug Store Aspirin 325"
},
{
"String": "SPECTRUM1500130"
},
{
"String": "Aspirin 81 mg Enteric Coated"
},
{
"String": "Bayer Aspirin Regimen Chewable"
},
{
"String": "Bayer Chewable-Aspirin Regimen"
},
{
"String": "Good Neighbor Pharmacy Aspirin"
},
{
"String": "PA-32540 component aspirin"
},
{
"String": "Rapidol Aspirin Display 2x25"
},
{
"String": "SPBio_001838"
},
{
"String": "Acetylsalicylic acid, >=99%"
},
{
"String": "Buffered AspirinFor Small Dogs"
},
{
"String": "GTPL4139"
},
{
"String": "O-Acetylsalicylic acid; Aspirin"
},
{
"String": "MBR Aspirin Bolus 240 Grains"
},
{
"String": "Acetylsalicylic acid-carboxy-14c"
},
{
"String": "BDBM22360"
},
{
"String": "HMS501L17"
},
{
"String": "KBio1_000555"
},
{
"String": "KBio2_001725"
},
{
"String": "KBio2_002271"
},
{
"String": "KBio2_004293"
},
{
"String": "KBio2_004839"
},
{
"String": "KBio2_006861"
},
{
"String": "KBio2_007407"
},
{
"String": "KBio3_002149"
},
{
"String": "KBio3_002751"
},
{
"String": "Empirin with Codeine (Salt/Mix)"
},
{
"String": "Pharbest Regular Strength Aspirin"
},
{
"String": "Value PharmaAspirin Pain Reliever"
},
{
"String": "Acetylsalicylic acid, >=99.0%"
},
{
"String": "cMAP_000006"
},
{
"String": "component of Zactirin (Salt/Mix)"
},
{
"String": "First Aid Direct Chewable Aspirin"
},
{
"String": "NINDS_000555"
},
{
"String": "ASPIRIN Analgesic and Antipyretic"
},
{
"String": "ASPIRIN COMPONENT OF AXOTAL"
},
{
"String": "ASPIRIN COMPONENT OF AZDONE"
},
{
"String": "ASPIRIN COMPONENT OF CODOXY"
},
{
"String": "HMS1920E13"
},
{
"String": "HMS2090G03"
},
{
"String": "HMS2091K13"
},
{
"String": "HMS2233L18"
},
{
"String": "HMS3260G17"
},
{
"String": "HMS3372N15"
},
{
"String": "HMS3656N14"
},
{
"String": "HMS3715P19"
},
{
"String": "HMS3866L03"
},
{
"String": "HMS3885G03"
},
{
"String": "Pharmakon1600-01500130"
},
{
"String": "Bayer Aspirin Regimenenteric coated"
},
{
"String": "BCP21790"
},
{
"String": "STR01551"
},
{
"String": "ACETYLSALICYLIC ACID; ASPIRIN"
},
{
"String": "ASPIRIN COMPONENT OF AGGRENOX"
},
{
"String": "ASPIRIN COMPONENT OF DUOCOVER"
},
{
"String": "ASPIRIN COMPONENT OF EXCEDRIN"
},
{
"String": "ASPIRIN COMPONENT OF FIORINAL"
},
{
"String": "ASPIRIN COMPONENT OF NORGESIC"
},
{
"String": "ASPIRIN COMPONENT OF PERCODAN"
},
{
"String": "ASPIRIN COMPONENT OF Q-GESIC"
},
{
"String": "ASPIRIN COMPONENT OF ROXIPRIN"
},
{
"String": "ASPIRIN COMPONENT OF VICOPRIN"
},
{
"String": "ASPIRIN COMPONENT OF YOSPRALA"
},
{
"String": "BAYER AspirinExtra Strength Caplets"
},
{
"String": "Tox21_110076"
},
{
"String": "Tox21_202117"
},
{
"String": "Tox21_300146"
},
{
"String": "Tox21_500038"
},
{
"String": "Buffered aspirin, effervescent tablet"
},
{
"String": "CCG-39490"
},
{
"String": "HY-14654R"
},
{
"String": "NSC755899"
},
{
"String": "s3017"
},
{
"String": "STL137674"
},
{
"String": "ACETYLSALICYLIC ACID [WHO-DD]"
},
{
"String": "ASPIRIN COMPONENT OF DUOPLAVIN"
},
{
"String": "ASPIRIN COMPONENT OF EQUAGESIC"
},
{
"String": "ASPIRIN COMPONENT OF INVAGESIC"
},
{
"String": "ASPIRIN COMPONENT OF LANORINAL"
},
{
"String": "ASPIRIN COMPONENT OF MICRAININ"
},
{
"String": "ASPIRIN COMPONENT OF ROBAXISAL"
},
{
"String": "Bufferin Regular Strength Pain Relief"
},
{
"String": "enteric coated aspirinRegular Strength"
},
{
"String": "AKOS000118884"
},
{
"String": "Aspirin Enteric Coated Tablets 81 mg"
},
{
"String": "component of Ascodeen-30 (Salt/Mix)"
},
{
"String": "Tox21_110076_1"
},
{
"String": "ACETYLSALICYLIC ACID [EMA EPAR]"
},
{
"String": "ACETYLSALICYLICUM ACIDUM [HPUS]"
},
{
"String": "Aspirin 81 mg Delayed Release Tablets"
},
{
"String": "ASPIRIN COMPONENT OF ORPHENGESIC"
},
{
"String": "CS-2001"
},
{
"String": "DB00945"
},
{
"String": "LP00038"
},
{
"String": "NSC-755899"
},
{
"String": "PL-2200"
},
{
"String": "SDCCGSBI-0050027.P005"
},
{
"String": "Value PharmaPain RelieverExtra Strength"
},
{
"String": "ASPIRIN COMPONENT OF SYNALGOS-DC"
},
{
"String": "AspirinEnteric Coated, Regular Strength"
},
{
"String": "BAY-1019036"
},
{
"String": "IDI1_000555"
},
{
"String": "Regular Strength Enteric Coated Aspirin"
},
{
"String": "ACETYLSALICYLIC ACID [GREEN BOOK]"
},
{
"String": "Acetylsalicylic acid, analytical standard"
},
{
"String": "Aspirin Delayed Release Tablets, 81 mg"
},
{
"String": "Buffered AspirinFor Medium to Large Dogs"
},
{
"String": "Coraspirin 81 mg Enteric Coasted Tablet"
},
{
"String": "NCGC00015067-01"
},
{
"String": "NCGC00015067-02"
},
{
"String": "NCGC00015067-03"
},
{
"String": "NCGC00015067-05"
},
{
"String": "NCGC00015067-06"
},
{
"String": "NCGC00015067-07"
},
{
"String": "NCGC00015067-08"
},
{
"String": "NCGC00015067-09"
},
{
"String": "NCGC00015067-10"
},
{
"String": "NCGC00015067-11"
},
{
"String": "NCGC00015067-12"
},
{
"String": "NCGC00015067-13"
},
{
"String": "NCGC00015067-14"
},
{
"String": "NCGC00015067-24"
},
{
"String": "NCGC00015067-26"
},
{
"String": "NCGC00090977-01"
},
{
"String": "NCGC00090977-02"
},
{
"String": "NCGC00090977-03"
},
{
"String": "NCGC00090977-04"
},
{
"String": "NCGC00090977-05"
},
{
"String": "NCGC00090977-06"
},
{
"String": "NCGC00090977-07"
},
{
"String": "NCGC00254034-01"
},
{
"String": "NCGC00259666-01"
},
{
"String": "NCGC00260723-01"
},
{
"String": "ASPIRIN COMPONENT OF MEPRO-ASPIRIN"
},
{
"String": "ASPIRIN COMPONENT OF PERCODAN-DEMI"
},
{
"String": "ASPIRIN COMPONENT OF PRAVIGARD PAC"
},
{
"String": "ASPIRIN COMPONENT OF SOMA COMPOUND"
},
{
"String": "Aspirin, meets USP testing specifications"
},
{
"String": "HY-14654"
},
{
"String": "NCI60_002222"
},
{
"String": "ACETYLSALICYLIC ACID [EP MONOGRAPH]"
},
{
"String": "Aspirin 81mg Enteric coatedDelayed Release"
},
{
"String": "Cardioaspirin 81 mg Enteric Coated Tablet"
},
{
"String": "SBI-0050027.P004"
},
{
"String": "ASPIRIN COMPONENT OF DARVON COMPOUND"
},
{
"String": "ASPIRIN COMPONENT OF INVAGESIC FORTE"
},
{
"String": "ASPIRIN COMPONENT OF TALWIN COMPOUND"
},
{
"String": "DS-017139"
},
{
"String": "UNM-0000306102"
},
{
"String": "ASPIRIN COMPONENT OF ORPHENGESIC FORTE"
},
{
"String": "component of Darvon with A.S.A (Salt/Mix)"
},
{
"String": "CS-0694916"
},
{
"String": "EU-0100038"
},
{
"String": "FT-0655181"
},
{
"String": "FT-0661360"
},
{
"String": "NS00000658"
},
{
"String": "SW199665-2"
},
{
"String": "CARISOPRODOL COMPOUND COMPONENT ASPIRIN"
},
{
"String": "EN300-19606"
},
{
"String": "A 5376"
},
{
"String": "Acetylsalicylic Acid 1.0 mg/ml in Acetonitrile"
},
{
"String": "C01405"
},
{
"String": "D00109"
},
{
"String": "E80792"
},
{
"String": "Q18216"
},
{
"String": "Safety Coated Aspirin 325 mg Regular Strength"
},
{
"String": "AB00051918-08"
},
{
"String": "AB00051918_09"
},
{
"String": "AB00051918_10"
},
{
"String": "Arthritis Pain Formula Maximum Strength (Salt/Mix)"
},
{
"String": "Health Mart Regular Strength Enteric Coated Aspirin"
},
{
"String": "Natural Aspirin plus Tart Cherry Dietary Supplement"
},
{
"String": "SR-01000075668-1"
},
{
"String": "SR-01000075668-4"
},
{
"String": "SR-01000075668-6"
},
{
"String": "Acetylsalicylic acid, Vetec(TM) reagent grade, >=99%"
},
{
"String": "Aspirin 81mg Enteric coatedLow Strength Aspirin Regimen"
},
{
"String": "Aspirin, British Pharmacopoeia (BP) Reference Standard"
},
{
"String": "CLOPIDOGREL/ACETYLSALICYLIC ACID COMPONENT ASPIRIN"
},
{
"String": "F2191-0068"
},
{
"String": "Natural Aspirin plus Immune Supporting Dietary Supplement"
},
{
"String": "Natural Aspirin plus Lemon and Honey Dietary Supplement"
},
{
"String": "Z104474430"
},
{
"String": "ACETYLSALICYLIC ACID (also part of CARBSALATE CALCIUM)"
},
{
"String": "Aspirin, United States Pharmacopeia (USP) Reference Standard"
},
{
"String": "D41527A7-A9EB-472D-A7FC-312821130549"
},
{
"String": "Acetylsalicylic acid, European Pharmacopoeia (EP) Reference Standard"
},
{
"String": "Acetylsalicylic acid, BioReagent, plant cell culture tested, >=99.0%"
},
{
"String": "Acetylsalicylic acid for peak identification, European Pharmacopoeia (EP) Reference Standard"
},
{
"String": "InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12"
},
{
"String": "11126-35-5"
},
{
"String": "Aspirin (Acetyl Salicylic Acid), Pharmaceutical Secondary Standard; Certified Reference Material"
}
]
}
}
]
},
{
"TOCHeading": "Removed Synonyms",
"Description": "Potentially erroneous chemical names and identifiers provided by PubChem Substance records for the same chemical structure that were removed by name/structure consistency filtering.",
"DisplayControls": {
"HideThisSection": true
},
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"StringWithMarkup": [
{
"String": "Aspergum"
},
{
"String": "Acetol"
},
{
"String": "Caprin"
},
{
"String": "Bufferin"
},
{
"String": "Coricidin"
},
{
"String": "Supac"
},
{
"String": "Triaminicin"
},
{
"String": "Vanquish"
},
{
"String": "Crystar"
},
{
"String": "Acetal"
},
{
"String": "Aloxiprimum"
},
{
"String": "Ascriptin"
},
{
"String": "Equagesic"
},
{
"String": "Fiorinal"
},
{
"String": "Micrainin"
},
{
"String": "Norgesic"
},
{
"String": "Percodan"
},
{
"String": "Robaxisal"
},
{
"String": "Solupsan"
},
{
"String": "Synalgos"
},
{
"String": "Dispril"
},
{
"String": "Phensal"
},
{
"String": "Anacin"
},
{
"String": "Axotal"
},
{
"String": "Dasin"
},
{
"String": "Synalgos-dc"
},
{
"String": "Percodan Demi"
},
{
"String": "Soma Compound"
},
{
"String": "AcetylsalicylicAcid"
},
{
"String": "Coricidin D"
},
{
"String": "Orphengesic"
},
{
"String": "Aggrenox"
},
{
"String": "Invagesic"
},
{
"String": "Lanorinal"
},
{
"String": "Pravigard"
},
{
"String": "Pravigard PAC"
},
{
"String": "aspirin lysine"
},
{
"String": "Aspirin calcium"
},
{
"String": "Darvon compound"
},
{
"String": "Aspirin sodium"
},
{
"String": "Norgesic forte"
},
{
"String": "Invagesic Forte"
},
{
"String": "Acetol (VAN)"
},
{
"String": "Mepro-Aspirin"
},
{
"String": "Acetylsalisylsyre"
},
{
"String": "AspirinTest2"
},
{
"String": "Mixture Name"
},
{
"String": "Aspirin anhydride"
},
{
"String": "Aspirin potassium"
},
{
"String": "Orphengesic Forte"
},
{
"String": "SK-65 Compound"
},
{
"String": "Empirin with Codeine"
},
{
"String": "Q-Gesic"
},
{
"String": "Aspirin CD3"
},
{
"String": "O-acetylsalicylsyre"
},
{
"String": "Compound 65"
},
{
"String": "acetylsalisylic acid"
},
{
"String": "Aspirin [BAN:JAN]"
},
{
"String": "component of Phensal"
},
{
"String": "Dasin (Salt/Mix)"
},
{
"String": "Darvon compound-65"
},
{
"String": "Anacin (Salt/Mix)"
},
{
"String": "Anacin Maximum Strength"
},
{
"String": "Axotal (Salt/Mix)"
},
{
"String": "ACYLPIRIN"
},
{
"String": "Aspirin USP-26"
},
{
"String": "AZDONE"
},
{
"String": "CODOXY"
},
{
"String": "ROXIPRIN"
},
{
"String": "VICOPRIN"
},
{
"String": "component of Percodan"
},
{
"String": "Acid, Acetylsalicylic"
},
{
"String": "Phensal (Salt/Mix)"
},
{
"String": "BUTAL COMPOUND"
},
{
"String": "component of Percobarb"
},
{
"String": "Fiorinal (Salt/Mix)"
},
{
"String": "Norgesic (Salt/Mix)"
},
{
"String": "PERCODAN-DEMI"
},
{
"String": "Synalgos (Salt/Mix)"
},
{
"String": "TALWIN COMPOUND"
},
{
"String": "Vanquish (Salt/Mix)"
},
{
"String": "Equagesic (Salt/Mix)"
},
{
"String": "O-accetylsalicylic acid"
},
{
"String": "P-A-C Analgesic Tablets"
},
{
"String": "Propoxyphene Compound 65"
},
{
"String": "Robaxisal (Salt/Mix)"
},
{
"String": "C9H8O4"
},
{
"String": "o-acetyl-salicylic acid"
},
{
"String": "Acetylsalicylic acid-d3"
},
{
"String": "component of Ansemco 2"
},
{
"String": "Acetylsalicylic Acid-d4"
},
{
"String": "ACMC-209kpz"
},
{
"String": "ASPIRIN MAGNESIUM"
},
{
"String": "2-Acetoxy-Benzoic Acid"
},
{
"String": "Benzoicacid, 2-(acetyloxy)-"
},
{
"String": "DARVON W/ ASA"
},
{
"String": "DARVON-N W/ ASA"
},
{
"String": "BUTALBITAL COMPOUND"
},
{
"String": "Propoxyphene Compound-65"
},
{
"String": "Synalgos-DC (Salt/Mix)"
},
{
"String": "D0GY5Z"
},
{
"String": "D0XB8R"
},
{
"String": "ZINC53"
},
{
"String": "A.S.A. and Codeine Compound"
},
{
"String": "EXCEDRIN (MIGRAINE)"
},
{
"String": "AC1L1D8U"
},
{
"String": "AC1Q1LA0"
},
{
"String": "Aspirin USP (3080)"
},
{
"String": "CARISOPRODOL COMPOUND"
},
{
"String": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"
},
{
"String": "A.S.A"
},
{
"String": "Aspirin USP (2080B)"
},
{
"String": "OXYCODONE AND ASPIRIN"
},
{
"String": "Acetylsalicylsaure (GERMAN)"
},
{
"String": "2-(AcetYl-Oxy)Benzoic Acid"
},
{
"String": "KSC269M6D"
},
{
"String": "MEPROBAMATE AND ASPIRIN"
},
{
"String": "acetylsalicylic acid (aspirin)"
},
{
"String": "CARISOPRODOL AND ASPIRIN"
},
{
"String": "component of A.S.A. Compound"
},
{
"String": "SK-65 Compound (Salt/Mix)"
},
{
"String": "component of Midol (Salt/Mix)"
},
{
"String": "(non-d)Acetylsalicylic Acid-d3"
},
{
"String": "DEA No. 9804"
},
{
"String": "METHOCARBAMOL AND ASPIRIN"
},
{
"String": "FIORINAL W/CODEINE NO 3"
},
{
"String": "SOMA COMPOUND W/ CODEINE"
},
{
"String": "CTK1G9661"
},
{
"String": "ERK5-3L16"
},
{
"String": "KS-00000ULP"
},
{
"String": "CID2244"
},
{
"String": "Acide acetylsalicylique (FRENCH)"
},
{
"String": "Arthritis Pain Formula Maximum Strength"
},
{
"String": "C9-H8-O4"
},
{
"String": "ACETYLSALICYLIC ACID, ASPIRIN"
},
{
"String": "Anacin Maximum Strength (Salt/Mix)"
},
{
"String": "component of Ansemco 2 (Salt/Mix)"
},
{
"String": "ANW-31125"
},
{
"String": "LS-143"
},
{
"String": "NA2811"
},
{
"String": "NP2660"
},
{
"String": "SBB015069"
},
{
"String": "UN2811"
},
{
"String": "P-A-C Analgesic Tablets (Salt/Mix)"
},
{
"String": "BUTALBITAL ASPIRIN AND CAFFEINE"
},
{
"String": "BUTALBITAL, ASPIRIN & CAFFEINE"
},
{
"String": "CS-T-01103"
},
{
"String": "RTX-012224"
},
{
"String": "BUTALBITAL, ASPIRIN AND CAFFEINE"
},
{
"String": "BUTALBITAL W/ ASPIRIN & CAFFEINE"
},
{
"String": "AJ-07843"
},
{
"String": "AN-24382"
},
{
"String": "ASPIRIN AND CAFFEINE W/ BUTALBITAL"
},
{
"String": "BC221833"
},
{
"String": "H740"
},
{
"String": "SC-18564"
},
{
"String": "SC-61857"
},
{
"String": "ST075414"
},
{
"String": "A.S.A. and Codeine Compound (Salt/Mix)"
},
{
"String": "ACETAMINOPHEN, ASPIRIN AND CAFFEINE"
},
{
"String": "component of A.S.A. and Codeine Compound"
},
{
"String": "AB1003266"
},
{
"String": "Sine-Off Sinus Medicine Tablets-Aspirin Formula"
},
{
"String": "2-(2,2,2-trideuterioacetyl)oxybenzoic acid"
},
{
"String": "A2262"
},
{
"String": "A4013"
},
{
"String": "OXYCODONE AND ASPIRIN (HALF-STRENGTH)"
},
{
"String": "CODEINE, ASPIRIN, APAP FORMULA NO. 2"
},
{
"String": "CODEINE, ASPIRIN, APAP FORMULA NO. 3"
},
{
"String": "CODEINE, ASPIRIN, APAP FORMULA NO. 4"
},
{
"String": "1777-EP2269989A1"
},
{
"String": "1777-EP2269990A1"
},
{
"String": "1777-EP2272825A2"
},
{
"String": "1777-EP2275420A1"
},
{
"String": "1777-EP2277865A1"
},
{
"String": "1777-EP2280008A2"
},
{
"String": "1777-EP2281563A1"
},
{
"String": "1777-EP2281815A1"
},
{
"String": "1777-EP2281818A1"
},
{
"String": "1777-EP2292227A2"
},
{
"String": "1777-EP2295055A2"
},
{
"String": "1777-EP2298764A1"
},
{
"String": "1777-EP2298765A1"
},
{
"String": "1777-EP2298768A1"
},
{
"String": "1777-EP2298776A1"
},
{
"String": "1777-EP2305219A1"
},
{
"String": "1777-EP2305260A1"
},
{
"String": "1777-EP2305640A2"
},
{
"String": "1777-EP2305652A2"
},
{
"String": "1777-EP2308510A1"
},
{
"String": "1777-EP2311453A1"
},
{
"String": "1777-EP2314590A1"
},
{
"String": "1777-EP2314593A1"
},
{
"String": "1777-EP2316459A1"
},
{
"String": "1777-EP2371811A2"
},
{
"String": "6474-EP1441224A2"
},
{
"String": "6474-EP2272832A1"
},
{
"String": "6474-EP2275420A1"
},
{
"String": "6474-EP2277861A1"
},
{
"String": "6474-EP2277875A2"
},
{
"String": "6474-EP2298757A2"
},
{
"String": "6474-EP2298764A1"
},
{
"String": "6474-EP2298765A1"
},
{
"String": "6474-EP2314585A1"
},
{
"String": "24189-EP2295409A1"
},
{
"String": "24189-EP2314590A1"
},
{
"String": "PROPOXYPHENE HCL W/ ASPIRIN AND CAFFEINE"
},
{
"String": "170197-EP2275413A1"
},
{
"String": "170197-EP2287156A1"
},
{
"String": "186947-EP2270113A1"
},
{
"String": "186947-EP2272935A1"
},
{
"String": "CARISOPRODOL, ASPIRIN AND CODEINE PHOSPHATE"
},
{
"String": "D001241"
},
{
"String": "ORPHENADRINE CITRATE, ASPIRIN, AND CAFFEINE"
},
{
"String": "ACETAMINOPHEN, ASPIRIN, AND CODEINE PHOSPHATE"
},
{
"String": "I14-7505"
},
{
"String": "METHANONE,(2-CHLORO-3-PYRIDINYL)CYCLOBUTYL-"
},
{
"String": "BUTALBITAL, ASPIRIN, CAFFEINE, AND CODEINE PHOSPHATE"
},
{
"String": "O-Acetylsalicylic acid =98.0% (by GC, titration analysis)"
},
{
"String": "2-Acetoxybenzoic acid; O-Acetylsalicylic acid; ASA; Aspirin"
},
{
"String": "98201-60-6"
},
{
"String": "921943-73-9"
},
{
"String": "Acetylsalicylic acid, 99%, an irreversible COX1 and COX2 inhibitor - 100G 100g"
},
{
"String": "156865-15-5"
},
{
"String": "2-Acetoxybenzoic Acid; 2-(Acetyloxy)benzoic Acid; Acylpyrin; Angettes; Aspro; Aspirin; ASA; Acetylsalicylic Acid; Benzoic acid, 2-(acetyloxy)-; Rhodine (7CI); Salicylic acid acetate (8CI); 2-(Acetyloxy)benzoic acid; 2-Acetoxybenzoic acid; 2-Carboxyphenyl acetate; A.S.A. Empirin; AC 5230; Acenterine; Acesal; Acesan; Acetard; Aceticyl; Acetilum acidulatum; Acetisal; Acetol; Acetonyl; Acetophen; Acetosal; Acetosalic acid; Acetosalin; Acetylin; Acetylsal; Acetylsalicylic acid; Acetyonyl; Acetysal; Acidum acetylsalicylicum; Acimetten; Acisal; Adiro; Albyl E; Asaflow; Asagran; Asatard; Ascoden 30; Ascolong; Ascriptin; Aspalon; Aspergum; Aspirdrops; Aspirin Protect 100; Aspirin Protect 300; Aspirin-Direkt; Aspirina 03; Aspro Clear; Aspropharm; Asteric; Astrix; Bayer; Benaspir; Bialpirina; Bialpirinia; Caprin; Cardioaspirina; Claradin; Colfarit; Colsprin; Contrheuma Retard; Coricidin; Coricidin "
},
{
"String": "97781-16-3"
},
{
"String": "99512-66-0"
},
{
"String": "Aspirin (NOTE: It is especially important not to use aspirin during the last three months of pregnancy, unless specifically directed to do so by a physician because it may cause problems in the unborn child or complications during delivery.)"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Create Date",
"Description": "Date when this compound record was created. For more information on various dates for PubChem records, visit the PubChem Record Dates help page.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/record-dates",
"DisplayControls": {
"HideThisSection": true,
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"DateISO8601": [
"2004-09-16"
]
}
}
]
},
{
"TOCHeading": "Modify Date",
"Description": "Date when this compound record was last modified. For more information on various dates for PubChem records, visit the PubChem Record Dates help page.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/record-dates",
"DisplayControls": {
"HideThisSection": true,
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"DateISO8601": [
"2024-06-29"
]
}
}
]
}
]
},
{
"TOCHeading": "Chemical and Physical Properties",
"Description": "Various chemical and physical properties that are experimentally determined for this compound. See also the Safety and Hazard Properties section (if available), which has additional properties pertinent to chemical safety and hazards.",
"Section": [
{
"TOCHeading": "Computed Properties",
"Description": "Properties of this compound computed from its molecular formula and structure.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "Subsections",
"NumberOfColumns": 3,
"ColumnHeadings": [
"Property Name",
"Property Value",
"Reference"
],
"ColumnContents": [
"Name",
"Value",
"Reference"
]
}
},
"Section": [
{
"TOCHeading": "Molecular Weight",
"Description": "Molecular weight or molecular mass refers to the mass of a molecule. It is calculated as the sum of the mass of each constituent atom multiplied by the number of atoms of that element in the molecular formula. The molecular weight is also called the relative molar mass, because molecular weights are reported in daltons, which is defined relative to the mass of the isotope 12C (carbon 12).",
"URL": "https://www.degruyter.com/document/doi/10.1515/pac-2017-1002/html?lang=en",
"DisplayControls": {
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem 2.2 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "180.16"
}
],
"Unit": "g/mol"
}
}
]
},
{
"TOCHeading": "XLogP3",
"Description": "XLogP3 is a predicted octanol-water partition coefficient, computed using the algorithm described in J. Chem. Inf. Model. 2007, 47, 6, 2140-2148. It is used as a measure of hydrophilicity or hydrophobicity of a molecule.",
"URL": "https://pubmed.ncbi.nlm.nih.gov/17985865/",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by XLogP3 3.0 (PubChem release 2021.10.14)"
],
"Value": {
"Number": [
1.2
]
}
}
]
},
{
"TOCHeading": "Hydrogen Bond Donor Count",
"Description": "The number of hydrogen bond donors in this compound.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
],
"Value": {
"Number": [
1
]
}
}
]
},
{
"TOCHeading": "Hydrogen Bond Acceptor Count",
"Description": "The number of hydrogen bond acceptors in this compound.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
],
"Value": {
"Number": [
4
]
}
}
]
},
{
"TOCHeading": "Rotatable Bond Count",
"Description": "A rotatable bond is defined as any single-order non-ring bond, where atoms on either side of the bond are in turn bound to nonterminal heavy (i.e., non-hydrogen) atoms. That is, where rotation around the bond axis changes the overall shape of the molecule, and generates conformers which can be distinguished by standard fast spectroscopic methods.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
],
"Value": {
"Number": [
3
]
}
}
]
},
{
"TOCHeading": "Exact Mass",
"Description": "The exact mass of an isotopic species is obtained by summing the masses of the individual isotopes of the molecule.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem 2.2 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "180.04225873"
}
],
"Unit": "g/mol"
}
}
]
},
{
"TOCHeading": "Monoisotopic Mass",
"Description": "The monoisotopic mass is the sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principal (most abundant) isotope for each element instead of the isotopic average mass.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem 2.2 (PubChem release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "180.04225873"
}
],
"Unit": "g/mol"
}
}
]
},
{
"TOCHeading": "Topological Polar Surface Area",
"Description": "The topological polar surface area (TPSA) is an estimate of the polar surface area (in Angstroms^2) of a molecule, computed as the surface sum over polar atoms in the molecule. The implementation follows the paper by Ertl et al. [J. Med. Chem. 2000, 43, 3714-3717]: only N and O are considered, 3D coordinates are not used, and there are various precomputed factors for different hybridizations, charges and participation in aromatic systems.",
"URL": "https://pubmed.ncbi.nlm.nih.gov/11020286/",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
],
"Value": {
"Number": [
63.6
],
"Unit": "Ų"
}
}
]
},
{
"TOCHeading": "Heavy Atom Count",
"Description": "The number of heavy atoms (i.e., non-hydrogen atoms) in this compound.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
13
]
}
}
]
},
{
"TOCHeading": "Formal Charge",
"Description": "Formal charge is the difference between the number of valence electrons of each atom and the number of electrons the atom is associated with. Formal charge assumes any shared electrons are equally shared between the two bonded atoms.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
0
]
}
}
]
},
{
"TOCHeading": "Complexity",
"Description": "The complexity rating of a compound is a rough estimate of how complicated a structure is, seen from both the point of view of the elements contained and the displayed structural features including symmetry. This complexity rating is computed using the Bertz/Hendrickson/Ihlenfeldt formula.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/glossary#section=Complexity",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
],
"Value": {
"Number": [
212
]
}
}
]
},
{
"TOCHeading": "Isotope Atom Count",
"Description": "Isotope atom count is the number of isotopes that are not most abundant for the corresponding chemical elements. Isotopes are variants of a chemical element which differ in neutron number. For example, among three isotopes of carbon (i.e., C-12, C-13, and C-14), the isotope atom count considers the C-13 and C-14 atoms, because C-12 is the most abundant isotope of carbon.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
0
]
}
}
]
},
{
"TOCHeading": "Defined Atom Stereocenter Count",
"Description": "An atom stereocenter, also known as a chiral center, is an atom that is attached to four different types of atoms (or groups of atoms) in the tetrahedral arrangement. It can have either (R)- or (S)- configurations. Some compounds, such as racemic mixtures, have an undefined atom stereocenter, whose (R/S)-configuration is not specifically defined. The \"defined atom stereocenter count\" is the number of atom stereocenters whose configurations are specifically defined. ",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
0
]
}
}
]
},
{
"TOCHeading": "Undefined Atom Stereocenter Count",
"Description": "The number of atom stereocenters whose configurations are not specifically defined. For the definition of atom stereocenters, see the \"defined atom stereocenter count\" above.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
0
]
}
}
]
},
{
"TOCHeading": "Defined Bond Stereocenter Count",
"Description": "A bond stereocenter is a non-rotatable bond around which two atoms can have different arrangement (as in cis- and trans-forms of butene around its double bond). Some compounds have an undefined bond stereocenter, whose stereochemistry is not specifically defined. The \"defined bond stereocenter count\" is the number of bond stereocenters whose configurations are specifically defined. ",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
0
]
}
}
]
},
{
"TOCHeading": "Undefined Bond Stereocenter Count",
"Description": "The number of bond stereocenters whose configurations are not specifically defined. For the definition of bond stereocenters, see the \"defined bond stereocenter count\" above.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
0
]
}
}
]
},
{
"TOCHeading": "Covalently-Bonded Unit Count",
"Description": "A covalently-bonded unit is a group of atoms connected by covalent bonds, ignoring other bond types (or a single atom without covalent bonds). The \"covalently-bonded unit count\" property is the number of such units in this compound compound.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem"
],
"Value": {
"Number": [
1
]
}
}
]
},
{
"TOCHeading": "Compound Is Canonicalized",
"Description": "Whether the compound has successfully passed PubChem's valence bond canonicalization procedure. Some large, complex, or highly symmetric structures may fail this process.",
"Information": [
{
"ReferenceNumber": 210,
"Reference": [
"Computed by PubChem (release 2021.10.14)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Yes"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Experimental Properties",
"Description": "Various experimentally determined properties for this compound. See also the Safety and Hazard Properties section (if available), which has additional properties pertinent to chemical safety and hazards.",
"Section": [
{
"TOCHeading": "Physical Description",
"Description": "The appearance or features of this compound, including color, odor, state, taste and more in general.",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid appears as odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992)",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 55,
"Value": {
"StringWithMarkup": [
{
"String": "Odorless, colorless to white, crystal-line powder. [aspirin] [Note: Develops the vinegar-like odor of acetic acid on contact with moisture.]",
"Markup": [
{
"Start": 52,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 81,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/vinegar",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
},
{
"Start": 102,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
}
]
}
]
}
},
{
"ReferenceNumber": 57,
"Value": {
"StringWithMarkup": [
{
"String": "Solid"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "COLOURLESS-TO-WHITE CRYSTALS OR WHITE CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR."
}
]
}
},
{
"ReferenceNumber": 155,
"Value": {
"StringWithMarkup": [
{
"String": "Odorless, colorless to white, crystal-line powder."
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "Odorless, colorless to white, crystal-line powder. [aspirin] [Note: Develops the vinegar-like odor of acetic acid on contact with moisture.]",
"Markup": [
{
"Start": 52,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 81,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/vinegar",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
},
{
"Start": 102,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Color/Form",
"Description": "Color is the aspect of any object that may be described in terms of hue, lightness, and saturation.",
"URL": "https://www.britannica.com/science/color",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "Monoclinic tablets or needle-like crystals"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Colorless to white, crystalline powder."
}
]
}
}
]
},
{
"TOCHeading": "Odor",
"Description": "The property of certain chemicals, in very small concentrations, to stimulate chemical sense receptors that sample the air or water.",
"URL": "https://www.britannica.com/science/odor",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "Odorless, but in moist air it is gradually hydrolyzed and acquires odor of acetic acid",
"Markup": [
{
"Start": 75,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Odorless [Note: Develops the vinegar-like odor of acetic acid on contact with moisture].",
"Markup": [
{
"Start": 29,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/vinegar",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
},
{
"Start": 50,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Boiling Point",
"Description": "The temperature at which this compound changes state from liquid to gas at a given atmospheric pressure.",
"URL": "https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Organic_Chemistry_Lab_Techniques_(Nichols)/06%3A_Miscellaneous_Techniques/6.02%3A_Boiling_Point",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "284 °F at 760 mmHg (decomposes) (NTP, 1992)"
}
]
}
},
{
"ReferenceNumber": 32,
"Reference": [
"http://www.chemicalland21.com/lifescience/phar/ACETYLSALICYLIC%20ACID.htm"
],
"Value": {
"Number": [
140
],
"Unit": "°C"
}
},
{
"ReferenceNumber": 155,
"Value": {
"StringWithMarkup": [
{
"String": "284 °F (decomposes)"
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "284 °F (Decomposes)"
}
]
}
}
]
},
{
"TOCHeading": "Melting Point",
"Description": "This section provides the melting point and/or freezing point. The melting point is the temperature at which a substance changes state from solid to liquid at atmospheric pressure. When considered as the temperature of the reverse change (from liquid to solid), it is referred to as the freezing point.",
"URL": "https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Organic_Chemistry_Lab_Techniques_(Nichols)/06%3A_Miscellaneous_Techniques/6.01%3A_Melting_Point",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "275 °F (NTP, 1992)"
}
]
}
},
{
"ReferenceNumber": 32,
"Reference": [
"http://www.rsc.org/learn-chemistry/content/filerepository/CMP/00/000/045/Aspirin.pdf"
],
"Value": {
"StringWithMarkup": [
{
"String": "138-140"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "135 °C (rapid heating)"
}
]
}
},
{
"ReferenceNumber": 57,
"Value": {
"StringWithMarkup": [
{
"String": "135 °C"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "135 °C"
}
]
}
},
{
"ReferenceNumber": 155,
"Value": {
"StringWithMarkup": [
{
"String": "275 °F"
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "275 °F"
}
]
}
}
]
},
{
"TOCHeading": "Flash Point",
"Description": "The lowest temperature at which a liquid can gives off vapor to form an ignitable mixture in air near the surface of the liquid.",
"URL": "https://www.britannica.com/science/flash-point",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "482 °F (NTP, 1992)"
}
]
}
}
]
},
{
"TOCHeading": "Solubility",
"Description": "The solubility of a substance is the amount of that substance that will dissolve in a given amount of solvent. The default solvent is water, if not indicated.",
"URL": "https://chem.libretexts.org/Courses/Purdue/Purdue%3A_Chem_26505%3A_Organic_Chemistry_I_(Lipton)/Chapter_4._Intermolecular_Forces_and_Physical_Properties/4.4_Solubility",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "less than 1 mg/mL at 73 °F (NTP, 1992)"
}
]
}
},
{
"ReferenceNumber": 32,
"Reference": [
"https://www.sigmaaldrich.com/catalog/product/sigma/a5376?lang=en®ion=US"
],
"Value": {
"Number": [
10
],
"Unit": "mg/mL"
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "1 g sol in: 300 mL water at 25 °C, 100 mL water at 37 °C, 5 mL alcohol, 17 mL chloroform, 10-15 mL ether; less sol in anhydrous ether",
"Markup": [
{
"Start": 19,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 42,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 78,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroform",
"Type": "PubChem Internal Link",
"Extra": "CID-6212"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona - Tucson, AZ (1992)"
],
"Value": {
"StringWithMarkup": [
{
"String": "In water, 4,600 mg/L at 25 °C",
"Markup": [
{
"Start": 3,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Solubility in water, g/100ml at 15 °C: 0.25 (poor)",
"Markup": [
{
"Start": 14,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "(77 °F): 0.3%"
}
]
}
}
]
},
{
"TOCHeading": "Density",
"Description": "This section provides information on the density (with unit) and specific gravity (without unit) of a compound. Density is mass of a unit volume of a compound and commonly expressed in units of kg/m3 or g/cm3. Specific gravity, also known as relative density, is a unit-less quantity, defined as the ratio of the density of a compound to that of a standard reference material (typically, water at 4 °C for liquids and air at room temperature [20 °C or 68 °F] for gases).",
"URL": "https://chem.libretexts.org/Bookshelves/Introductory_Chemistry/Map%3A_Fundamentals_of_General_Organic_and_Biological_Chemistry_(McMurry_et_al.)/01%3A_Matter_and_Measurements/1.12%3A_Density_and_Specific_Gravity",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "1.4 (NTP, 1992) - Denser than water; will sink",
"Markup": [
{
"Start": 30,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "1.40"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "1.4 g/cm³"
}
]
}
},
{
"ReferenceNumber": 155,
"Value": {
"StringWithMarkup": [
{
"String": "1.35"
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "1.35"
}
]
}
}
]
},
{
"TOCHeading": "Vapor Pressure",
"Description": "Vapor pressure (or equilibrium vapor pressure) is the pressure of a vapor in thermodynamic equilibrium with its condensed phases in a closed system.",
"URL": "https://chem.libretexts.org/Bookshelves/General_Chemistry/Map%3A_Chemistry_-_The_Central_Science_(Brown_et_al.)/11%3A_Liquids_and_Intermolecular_Forces/11.05%3A_Vapor_Pressure",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Institute of Occupational Safety and Health. NIOSH Pocket Guide to Chemical Hazards (full website version). https://www.cdc.gov/niosh/npg."
],
"Value": {
"StringWithMarkup": [
{
"String": "0 mmHg (approx) (NIOSH, 2023)"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Eisenreich SJ et al; Environ Sci Technol 15: 30-8 (1981)"
],
"Value": {
"StringWithMarkup": [
{
"String": "2.52X10-5 mm Hg at 25 °C (calc)"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Vapor pressure, Pa at 25 °C: ~ 0.004"
}
]
}
},
{
"ReferenceNumber": 155,
"Value": {
"StringWithMarkup": [
{
"String": "0 mmHg (approx)"
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "0 mmHg (approx)"
}
]
}
}
]
},
{
"TOCHeading": "LogP",
"Description": "Log P is the partition coefficient expressed in logarithmic form. The partition coefficient is the ratio of concentrations of a compound in a mixture of two immiscible solvents at equilibrium. This ratio is therefore used to compare the solubilities of the solute in these two solvents. Because octanol and water are the most commonly used pair of solvents for measuring partition coefficients, the Log P values listed in this section refer to octanol/water partition coefficients, unless indicated otherwise.",
"Information": [
{
"ReferenceNumber": 32,
"Reference": [
"https://www.fip.org/files/fip/BPS/BCS/Monographs/AcetylsalicylicAcid.pdf"
],
"Value": {
"Number": [
1.18
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 54"
],
"Value": {
"StringWithMarkup": [
{
"String": "log Kow = 1.19"
}
]
}
},
{
"ReferenceNumber": 57,
"Reference": [
"HANSCH,C ET AL. (1995)"
],
"Value": {
"StringWithMarkup": [
{
"String": "1.19"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "1.19"
}
]
}
}
]
},
{
"TOCHeading": "Stability/Shelf Life",
"Description": "Tendency of a material to resist change or decomposition due to internal reaction, or due to the action of air, heat, light, pressure, etc. See also the Stability and Reactivity subsection under the Safety and Hazards section on this page (when available).",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 134"
],
"Value": {
"StringWithMarkup": [
{
"String": "STABLE IN DRY AIR; IN MOIST AIR IT IS GRADUALLY HYDROLYZED INTO SALICYLIC AND ACETIC ACIDS",
"Markup": [
{
"Start": 64,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/SALICYLIC",
"Type": "PubChem Internal Link",
"Extra": "CID-73952057"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"McEvoy, G.K. (ed.). American Hospital Formulary Service. AHFS Drug Information. American Society of Health-System Pharmacists, Bethesda, MD. 2007., p. 2037"
],
"Value": {
"StringWithMarkup": [
{
"String": "In aqueous solutions, aspirin is most stable at a pH of 2-3, less stable at a pH of 4-8, and least stable at a pH less than 2 or greater than 8. In a saturated aqueous solution at a pH of 5-7, aspirin is almost completely hydrolyzed within 1 week at 25 °C.",
"Markup": [
{
"Start": 22,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 193,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Decomposition",
"Description": "Information on the decomposition of this compound, including the decomposition conditions and products.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 57"
],
"Value": {
"StringWithMarkup": [
{
"String": "When heated to decomposition it emits acrid smoke and fumes."
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "140 °C"
}
]
}
}
]
},
{
"TOCHeading": "Dissociation Constants",
"Description": "A specific type of equilibrium constant that measures the propensity of a larger object to separate (dissociate) reversibly into smaller components, as when a complex falls apart into its component molecules, or when a salt splits up into its component ions. This includes pKa (the negative logarithm of the acid dissociation constant) and pKb (the negative logarithm of the base dissociation constant).",
"Information": [
{
"ReferenceNumber": 10,
"Name": "Acidic pKa",
"Reference": [
"Tested as SID 103164874 in AID 781325: https://pubchem.ncbi.nlm.nih.gov/bioassay/781325#sid=103164874",
"Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds. Pharm Res. 2014; 31(4):1082-95. DOI:10.1007/s11095-013-1232-z. PMID:24249037"
],
"Value": {
"StringWithMarkup": [
{
"String": "3.47"
}
]
}
},
{
"ReferenceNumber": 10,
"Name": "Acidic pKa",
"Reference": [
"Tested as SID 103164874 in AID 781326: https://pubchem.ncbi.nlm.nih.gov/bioassay/781326#sid=103164874",
"Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds. Pharm Res. 2014; 31(4):1082-95. DOI:10.1007/s11095-013-1232-z. PMID:24249037"
],
"Value": {
"StringWithMarkup": [
{
"String": "3.5"
}
]
}
},
{
"ReferenceNumber": 32,
"Name": "pKa",
"Reference": [
"https://www.fip.org/files/fip/BPS/BCS/Monographs/AcetylsalicylicAcid.pdf"
],
"Value": {
"StringWithMarkup": [
{
"String": "3.5"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "pKa = 3.49 at 25 °C"
}
]
}
},
{
"ReferenceNumber": 75,
"Value": {
"ExternalTableName": "iupacpka"
}
}
]
},
{
"TOCHeading": "Collision Cross Section",
"Description": "Collision cross section (CCS) represents the effective area for the interaction between an individual ion and the neutral gas through which it is traveling (e.g., in ion mobility spectrometry (IMS) experiments). It quantifies the probability of a collision taking place between two or more particles.",
"URL": "https://pubmed.ncbi.nlm.nih.gov/28035808/",
"Information": [
{
"ReferenceNumber": 6,
"Reference": [
"https://pubs.rsc.org/en/content/articlelanding/2017/sc/c7sc03464d"
],
"Value": {
"StringWithMarkup": [
{
"String": "146.8 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]",
"Markup": [
{
"Start": 15,
"Length": 1,
"Type": "Superscript"
}
]
}
]
}
},
{
"ReferenceNumber": 7,
"Reference": [
"Ross et al. JASMS 2022, 33, 1061-1072. DOI:10.1021/jasms.2c00111"
],
"Value": {
"StringWithMarkup": [
{
"String": "134.72 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]",
"Markup": [
{
"Start": 15,
"Length": 1,
"Type": "Superscript"
}
]
},
{
"String": "122.5 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]",
"Markup": [
{
"Start": 18,
"Length": 1,
"Type": "Superscript"
}
]
}
]
}
},
{
"ReferenceNumber": 154,
"Reference": [
"S50 | CCSCOMPEND | The Unified Collision Cross Section (CCS) Compendium | DOI:10.5281/zenodo.2658162"
],
"Value": {
"StringWithMarkup": [
{
"String": "145.9 Ų [M+Na]+",
"Markup": [
{
"Start": 15,
"Length": 1,
"Type": "Superscript"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Kovats Retention Index",
"Description": "The Kovats retention index is a dimensionless quantity that characterizes the rate at which a compound is processed through a gas chromatography column.",
"URL": "https://goldbook.iupac.org/terms/view/R05360",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ListType": "CommaSeparated"
},
"Information": [
{
"ReferenceNumber": 149,
"Name": "Standard non-polar",
"Value": {
"Number": [
1270,
1315,
1309,
1309
]
}
}
]
},
{
"TOCHeading": "Other Experimental Properties",
"Description": "Other experimental properties of this chemical.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "... solidifies at 118 °C"
}
]
}
}
]
}
]
},
{
"TOCHeading": "SpringerMaterials Properties",
"Description": "List of properties available in SpringerMaterials, which has chemical and physical property data pertinent to materials science, physics, chemistry and engineering.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/springermaterials",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 173,
"Value": {
"StringWithMarkup": [
{
"String": "Corrosion",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=corrosion&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Crystal structure",
"Markup": [
{
"Start": 0,
"Length": 17,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=crystal%20structure&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Density",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=density&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Diamagnetic susceptibility",
"Markup": [
{
"Start": 0,
"Length": 26,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=diamagnetic%20susceptibility&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Dielectric constant",
"Markup": [
{
"Start": 0,
"Length": 19,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=dielectric%20constant&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Formula unit",
"Markup": [
{
"Start": 0,
"Length": 12,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=formula%20unit&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Fusion temperature",
"Markup": [
{
"Start": 0,
"Length": 18,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=fusion%20temperature&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Magnetic susceptibility",
"Markup": [
{
"Start": 0,
"Length": 23,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=magnetic%20susceptibility&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Melting temperature",
"Markup": [
{
"Start": 0,
"Length": 19,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=melting%20temperature&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Phase transition",
"Markup": [
{
"Start": 0,
"Length": 16,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=phase%20transition&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Space group",
"Markup": [
{
"Start": 0,
"Length": 11,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=space%20group&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Transition enthalpy",
"Markup": [
{
"Start": 0,
"Length": 19,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=transition%20enthalpy&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Unit cell",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=unit%20cell&substanceId=smsid_cetefnaoegpqywds"
}
]
},
{
"String": "Unit cell parameter",
"Markup": [
{
"Start": 0,
"Length": 19,
"URL": "https://materials.springer.com/search?searchTerm=benzoic+acid%2C+2-acetoxy-&propertyFacet=unit%20cell%20parameter&substanceId=smsid_cetefnaoegpqywds"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Chemical Classes",
"Description": "Chemical classes are groupings that relate chemicals by similar features. Chemicals can be classified by their structure (e.g., hydrocarbons), uses (e.g., pesticides), physical properties, radiological properties, or other factors.",
"Information": [
{
"ReferenceNumber": 55,
"Value": {
"StringWithMarkup": [
{
"String": "Other Uses -> Pharmaceuticals"
}
]
}
}
],
"Section": [
{
"TOCHeading": "Human Drugs",
"Description": "Chemicals are used as active ingredients in human drug products.",
"Information": [
{
"ReferenceNumber": 35,
"Value": {
"StringWithMarkup": [
{
"String": "Human drug -> Discontinued"
}
]
}
},
{
"ReferenceNumber": 36,
"Value": {
"StringWithMarkup": [
{
"String": "Human drug -> Active ingredient (ASPIRIN)",
"Markup": [
{
"Start": 33,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 37,
"Value": {
"StringWithMarkup": [
{
"String": "Human drug -> Discontinued"
}
]
}
},
{
"ReferenceNumber": 38,
"Value": {
"StringWithMarkup": [
{
"String": "Human drug -> Over-the-counter"
}
]
}
},
{
"ReferenceNumber": 39,
"Value": {
"StringWithMarkup": [
{
"String": "Human drug -> Discontinued"
}
]
}
},
{
"ReferenceNumber": 40,
"Value": {
"StringWithMarkup": [
{
"String": "Human drug -> Discontinued"
}
]
}
}
]
},
{
"TOCHeading": "Animal Drugs",
"Description": "Chemicals are used as active ingredients in animal drug products.",
"Information": [
{
"ReferenceNumber": 50,
"Value": {
"StringWithMarkup": [
{
"String": "Active Ingredients (Acetylsalicylic Acid) -> FDA Greenbook",
"Markup": [
{
"Start": 20,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20Acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 154,
"Reference": [
"S72 | NTUPHTW | Pharmaceutically Active Substances from National Taiwan University | DOI:10.5281/zenodo.3955664"
],
"Value": {
"StringWithMarkup": [
{
"String": "Pharmaceuticals -> Animal Drugs -> Approved in Taiwan"
}
]
}
}
]
}
]
}
]
},
{
"TOCHeading": "Spectral Information",
"Description": "Spectral data for this compound, including 1-D and 2-D nuclear magnetic resonance (NMR), Infrared (IR), Raman, and Ultraviolet (UV) spectroscopy, mass spectrometry (MS), and chromatography.",
"Section": [
{
"TOCHeading": "1D NMR Spectra",
"Description": "One-dimensional (1D) nuclear magnetic resonance (NMR) spectra.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1347"
],
"Value": {
"StringWithMarkup": [
{
"String": "NMR: 18001 (Sadtler Research Laboratories Spectral Collection)"
}
]
}
},
{
"ReferenceNumber": 153,
"Name": "1D NMR Spectra",
"Value": {
"StringWithMarkup": [
{
"String": "NMRShiftDB Link",
"Markup": [
{
"Start": 0,
"Length": 15,
"URL": "http://nmrshiftdb.nmr.uni-koeln.de//portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20038075"
}
]
}
]
}
}
],
"Section": [
{
"TOCHeading": "1H NMR Spectra",
"Description": "Hydrogen-1 nuclear magnetic resonance (NMR) spectroscopy (also known as H1 NMR or proton NMR) is a version of NMR spectroscopy used to elucidate the structure of hydrogen-containing compounds.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 64,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/nmr_one_d/1776",
"Value": {
"StringWithMarkup": [
{
"String": "1776"
}
]
}
},
{
"ReferenceNumber": 64,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "Bruker"
}
]
}
},
{
"ReferenceNumber": 64,
"Name": "Frequency",
"Value": {
"StringWithMarkup": [
{
"String": "600 MHz"
}
]
}
},
{
"ReferenceNumber": 64,
"Name": "Solvent",
"Value": {
"StringWithMarkup": [
{
"String": "Water"
}
]
}
},
{
"ReferenceNumber": 64,
"Name": "pH",
"Value": {
"StringWithMarkup": [
{
"String": "7.00"
}
]
}
},
{
"ReferenceNumber": 64,
"Name": "Shifts [ppm]:Intensity",
"Value": {
"StringWithMarkup": [
{
"String": "7.67:9.79, 7.35:5.61, 7.52:4.57, 7.51:9.72, 2.33:100.00, 7.36:12.78, 7.14:12.20, 7.37:7.38, 7.68:9.19, 7.50:5.69, 7.13:11.25"
}
]
}
},
{
"ReferenceNumber": 64,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=7.67:9.79,7.35:5.61,7.52:4.57,7.51:9.72,2.33:100.00,7.36:12.78,7.14:12.20,7.37:7.38,7.68:9.19,7.50:5.69,7.13:11.25",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=7.67:9.79,7.35:5.61,7.52:4.57,7.51:9.72,2.33:100.00,7.36:12.78,7.14:12.20,7.37:7.38,7.68:9.19,7.50:5.69,7.13:11.25"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 65,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/nmr_one_d/2407",
"Value": {
"StringWithMarkup": [
{
"String": "2407"
}
]
}
},
{
"ReferenceNumber": 65,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "JEOL"
}
]
}
},
{
"ReferenceNumber": 65,
"Name": "Frequency",
"Value": {
"StringWithMarkup": [
{
"String": "400 MHz"
}
]
}
},
{
"ReferenceNumber": 65,
"Name": "Solvent",
"Value": {
"StringWithMarkup": [
{
"String": "CDCl3"
}
]
}
},
{
"ReferenceNumber": 65,
"Name": "Shifts [ppm]:Intensity",
"Value": {
"StringWithMarkup": [
{
"String": "7.60:51.00, 7.36:68.00, 7.13:73.00, 7.38:52.00, 7.62:57.00, 7.61:53.00, 2.36:33.00, 8.13:66.00, 2.35:1000.00, 7.34:44.00, 7.62:56.00, 7.36:67.00, 7.15:79.00, 8.12:67.00, 7.33:44.00, 7.65:41.00, 8.14:65.00, 7.13:68.00, 7.63:60.00, 7.64:45.00, 7.37:54.00, 7.63:57.00, 8.12:69.00, 7.36:70.00"
}
]
}
},
{
"ReferenceNumber": 65,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=7.60:51.00,7.36:68.00,7.13:73.00,7.38:52.00,7.62:57.00,7.61:53.00,2.36:33.00,8.13:66.00,2.35:1000.00,7.34:44.00,7.62:56.00,7.36:67.00,7.15:79.00,8.12:67.00,7.33:44.00,7.65:41.00,8.14:65.00,7.13:68.00,7.63:60.00,7.64:45.00,7.37:54.00,7.63:57.00,8.12:69.00,7.36:70.00",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=7.60:51.00,7.36:68.00,7.13:73.00,7.38:52.00,7.62:57.00,7.61:53.00,2.36:33.00,8.13:66.00,2.35:1000.00,7.34:44.00,7.62:56.00,7.36:67.00,7.15:79.00,8.12:67.00,7.33:44.00,7.65:41.00,8.14:65.00,7.13:68.00,7.63:60.00,7.64:45.00,7.37:54.00,7.63:57.00,8.12:69.00,7.36:70.00"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 163,
"Name": "Instrument Name",
"Value": {
"StringWithMarkup": [
{
"String": "BRUKER AC-300"
}
]
}
},
{
"ReferenceNumber": 163,
"Name": "Source of Sample",
"Value": {
"StringWithMarkup": [
{
"String": "MCB Manufacturing Chemists, Norwood, Ohio"
}
]
}
},
{
"ReferenceNumber": 163,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 163,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/3P5kd0002UC",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4686306_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 165,
"Name": "Instrument Name",
"Value": {
"StringWithMarkup": [
{
"String": "Varian A-60"
}
]
}
},
{
"ReferenceNumber": 165,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 165,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/67V44jWOjef",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4686308_1"
],
"MimeType": "image/png"
}
}
]
},
{
"TOCHeading": "13C NMR Spectra",
"Description": "Carbon-13 nuclear magnetic resonance (NMR) spectroscopy (also known as 13C NMR) is a version of NMR spectroscopy used to elucidate the structure of carbon-containing compounds.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 66,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/nmr_one_d/3097",
"Value": {
"StringWithMarkup": [
{
"String": "3097"
}
]
}
},
{
"ReferenceNumber": 66,
"Name": "Frequency",
"Value": {
"StringWithMarkup": [
{
"String": "50.18 MHz"
}
]
}
},
{
"ReferenceNumber": 66,
"Name": "Solvent",
"Value": {
"StringWithMarkup": [
{
"String": "CDCl3"
}
]
}
},
{
"ReferenceNumber": 66,
"Name": "Shifts [ppm]:Intensity",
"Value": {
"StringWithMarkup": [
{
"String": "134.90:924.00, 170.20:450.00, 20.99:674.00, 122.26:397.00, 151.28:560.00, 132.51:1000.00, 169.76:510.00, 124.01:974.00, 126.17:986.00"
}
]
}
},
{
"ReferenceNumber": 66,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=134.90:924.00,170.20:450.00,20.99:674.00,122.26:397.00,151.28:560.00,132.51:1000.00,169.76:510.00,124.01:974.00,126.17:986.00",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=134.90:924.00,170.20:450.00,20.99:674.00,122.26:397.00,151.28:560.00,132.51:1000.00,169.76:510.00,124.01:974.00,126.17:986.00"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 164,
"Name": "Source of Sample",
"Value": {
"StringWithMarkup": [
{
"String": "Monsanto Chemical Company, St. Louis, Missouri"
}
]
}
},
{
"ReferenceNumber": 164,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 164,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/4IMNy32V8sS",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4686307_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 169,
"Name": "Instrument Name",
"Value": {
"StringWithMarkup": [
{
"String": "NICOLET 50MHZ"
}
]
}
},
{
"ReferenceNumber": 169,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 169,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/DamMbrx06Rv",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/9917660_1"
],
"MimeType": "image/png"
}
}
]
}
]
},
{
"TOCHeading": "2D NMR Spectra",
"Description": "Two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy is a set of nuclear magnetic resonance spectroscopy (NMR) methods, which give data plotted in a space defined by two frequency axes. 2D NMR includes correlation spectroscopy (COSY), J-Resolved spectroscopy (JRES), exchange spectroscopy (EXSY), and nuclear Overhauser effect spectroscopy (NOESY).",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Section": [
{
"TOCHeading": "1H-13C NMR Spectra",
"Description": "Two-dimensional (2D) 1H-13C nuclear magnetic resonance (NMR) spectra.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 67,
"Name": "2D NMR Spectra Type",
"Value": {
"StringWithMarkup": [
{
"String": "1H-13C HSQC"
}
]
}
},
{
"ReferenceNumber": 67,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/nmr_two_d/1716",
"Value": {
"StringWithMarkup": [
{
"String": "1716"
}
]
}
},
{
"ReferenceNumber": 67,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "Bruker"
}
]
}
},
{
"ReferenceNumber": 67,
"Name": "Frequency",
"Value": {
"StringWithMarkup": [
{
"String": "600 MHz"
}
]
}
},
{
"ReferenceNumber": 67,
"Name": "Solvent",
"Value": {
"StringWithMarkup": [
{
"String": "Water"
}
]
}
},
{
"ReferenceNumber": 67,
"Name": "pH",
"Value": {
"StringWithMarkup": [
{
"String": "7.00"
}
]
}
},
{
"ReferenceNumber": 67,
"Name": "Shifts [ppm] (F2:F1):Intensity",
"Value": {
"StringWithMarkup": [
{
"String": "7.68:132.23:0.96, 7.51:133.88:0.91, 2.33:23.26:1.00, 7.36:129.14:0.79, 7.14:125.01:0.72"
}
]
}
},
{
"ReferenceNumber": 67,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/nmr2d.cgi?peaks=7.68:132.23:0.96,7.51:133.88:0.91,2.33:23.26:1.00,7.36:129.14:0.79,7.14:125.01:0.72",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/nmr2d.cgi?peaks=7.68:132.23:0.96,7.51:133.88:0.91,2.33:23.26:1.00,7.36:129.14:0.79,7.14:125.01:0.72"
],
"MimeType": "image/svg"
}
}
]
}
]
},
{
"TOCHeading": "Mass Spectrometry",
"Description": "Mass spectrometry (MS or mass spec) is a technique to determine molecular structure through ionization and fragmentation of the parent compound into smaller components.",
"URL": "https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Supplemental_Modules_(Organic_Chemistry)/Spectroscopy/Mass_Spectrometry",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Section": [
{
"TOCHeading": "GC-MS",
"Description": "Data from gas chromatography-mass spectrometry (GC-MS) experiments.",
"URL": "https://chem.libretexts.org/Bookshelves/General_Chemistry/Book%3A_Structure_and_Reactivity_in_Organic_Biological_and_Inorganic_Chemistry_(Schaller)/II%3A_Practical_Aspects_of_Structure_-_Purification_and_Spectroscopy/06%3A_Introductory_Mass_Spectrometry/6.03%3A_GC-MS_and_LC-MS",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 58,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/c_ms/1003",
"Value": {
"StringWithMarkup": [
{
"String": "1003"
}
]
}
},
{
"ReferenceNumber": 58,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-MS"
}
]
}
},
{
"ReferenceNumber": 58,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-006w-2910000000-910e8ce2493a05870b33%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-006w-2910000000-910e8ce2493a05870b33"
}
]
}
},
{
"ReferenceNumber": 58,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "195.0 1"
},
{
"String": "120.0 0.81"
},
{
"String": "92.0 0.42"
},
{
"String": "135.0 0.39"
},
{
"String": "210.0 0.28"
}
]
}
},
{
"ReferenceNumber": 58,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=195.0:1,120.0:0.81,92.0:0.42,135.0:0.39,210.0:0.28",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=195.0:1,120.0:0.81,92.0:0.42,135.0:0.39,210.0:0.28"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 59,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/c_ms/27401",
"Value": {
"StringWithMarkup": [
{
"String": "27401"
}
]
}
},
{
"ReferenceNumber": 59,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "EI-B"
}
]
}
},
{
"ReferenceNumber": 59,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 59,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-00dl-9400000000-64327d3bef0063cf4fe1%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00dl-9400000000-64327d3bef0063cf4fe1"
}
]
}
},
{
"ReferenceNumber": 59,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "120.0 99.99"
},
{
"String": "92.0 55.20"
},
{
"String": "28.0 41.90"
},
{
"String": "42.0 31"
},
{
"String": "121.0 20.40"
}
]
}
},
{
"ReferenceNumber": 59,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=120.0:99.99,92.0:55.20,28.0:41.90,42.0:31,121.0:20.40",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=120.0:99.99,92.0:55.20,28.0:41.90,42.0:31,121.0:20.40"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 59,
"Name": "Notes",
"Value": {
"StringWithMarkup": [
{
"String": "instrument=Unknown"
}
]
}
},
{
"ReferenceNumber": 60,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/c_ms/27421",
"Value": {
"StringWithMarkup": [
{
"String": "27421"
}
]
}
},
{
"ReferenceNumber": 60,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "CI-B"
}
]
}
},
{
"ReferenceNumber": 60,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 60,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-00di-0900000000-113943b65024522c1712%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00di-0900000000-113943b65024522c1712"
}
]
}
},
{
"ReferenceNumber": 60,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "121.0 99.99"
},
{
"String": "163.0 34"
},
{
"String": "181.0 17"
},
{
"String": "122.0 8"
},
{
"String": "139.0 8"
}
]
}
},
{
"ReferenceNumber": 60,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=121.0:99.99,163.0:34,181.0:17,122.0:8,139.0:8",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=121.0:99.99,163.0:34,181.0:17,122.0:8,139.0:8"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 60,
"Name": "Notes",
"Value": {
"StringWithMarkup": [
{
"String": "instrument=Unknown"
}
]
}
},
{
"ReferenceNumber": 61,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/c_ms/30117",
"Value": {
"StringWithMarkup": [
{
"String": "30117"
}
]
}
},
{
"ReferenceNumber": 61,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "EI-B"
}
]
}
},
{
"ReferenceNumber": 61,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 61,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-014i-1590000000-7890c99ca2b0e2c4ff19%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-014i-1590000000-7890c99ca2b0e2c4ff19"
}
]
}
},
{
"ReferenceNumber": 61,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "267.0 100"
},
{
"String": "268.05 22.84"
},
{
"String": "209.0 21.06"
},
{
"String": "149.05 18.26"
},
{
"String": "91.05 16.32"
}
]
}
},
{
"ReferenceNumber": 61,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267.0:100,268.05:22.84,209.0:21.06,149.05:18.26,91.05:16.32",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267.0:100,268.05:22.84,209.0:21.06,149.05:18.26,91.05:16.32"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 61,
"Name": "Notes",
"Value": {
"StringWithMarkup": [
{
"String": "instrument=GCMS-2010 Plus, Shimadzu"
}
]
}
},
{
"ReferenceNumber": 62,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/c_ms/30469",
"Value": {
"StringWithMarkup": [
{
"String": "30469"
}
]
}
},
{
"ReferenceNumber": 62,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-EI-TOF"
}
]
}
},
{
"ReferenceNumber": 62,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 62,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-014l-2960000000-ffcb8d28ab7e460b0da8%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-014l-2960000000-ffcb8d28ab7e460b0da8"
}
]
}
},
{
"ReferenceNumber": 62,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "267.0 100"
},
{
"String": "135.0 47.95"
},
{
"String": "91.0 39.64"
},
{
"String": "149.0 29.63"
},
{
"String": "268.0 24.92"
}
]
}
},
{
"ReferenceNumber": 62,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267.0:100,135.0:47.95,91.0:39.64,149.0:29.63,268.0:24.92",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267.0:100,135.0:47.95,91.0:39.64,149.0:29.63,268.0:24.92"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 62,
"Name": "Notes",
"Value": {
"StringWithMarkup": [
{
"String": "instrument=Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies"
}
]
}
},
{
"ReferenceNumber": 63,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/c_ms/31361",
"Value": {
"StringWithMarkup": [
{
"String": "31361"
}
]
}
},
{
"ReferenceNumber": 63,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-MS"
}
]
}
},
{
"ReferenceNumber": 63,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-006w-2910000000-910e8ce2493a05870b33%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-006w-2910000000-910e8ce2493a05870b33"
}
]
}
},
{
"ReferenceNumber": 63,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "195.0 1"
},
{
"String": "120.0 0.81"
},
{
"String": "92.0 0.42"
},
{
"String": "135.0 0.39"
},
{
"String": "210.0 0.28"
}
]
}
},
{
"ReferenceNumber": 63,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=195.0:1,120.0:0.81,92.0:0.42,135.0:0.39,210.0:0.28",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=195.0:1,120.0:0.81,92.0:0.42,135.0:0.39,210.0:0.28"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 107,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Osaka_Univ-OUF00091",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Osaka_Univ-OUF00091"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ."
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-EI-TOF"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "CP-SIL 8 CB LOW BLEED/MS"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "556.862 sec"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "267 999"
},
{
"String": "135 479"
},
{
"String": "91 396"
},
{
"String": "149 296"
},
{
"String": "268 249"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-014l-2960000000-ffcb8d28ab7e460b0da8",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-014l-2960000000-ffcb8d28ab7e460b0da8"
}
]
}
},
{
"ReferenceNumber": 107,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267:999,135:479,91:396,149:296,268:249",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267:999,135:479,91:396,149:296,268:249"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 107,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-SA"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "MoNA ID",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/JP003093",
"Value": {
"StringWithMarkup": [
{
"String": "JP003093"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "MS Category",
"Value": {
"StringWithMarkup": [
{
"String": "Experimental"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "MS Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-MS"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS1"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Unknown"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "EI-B"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "120 99.99"
},
{
"String": "92 55.20"
},
{
"String": "28 41.90"
},
{
"String": "42 31"
},
{
"String": "121 20.40"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-00dl-9400000000-64327d3bef0063cf4fe1%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00dl-9400000000-64327d3bef0063cf4fe1"
}
]
}
},
{
"ReferenceNumber": 113,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=120:99.99,92:55.20,28:41.90,42:31,121:20.40",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=120:99.99,92:55.20,28:41.90,42:31,121:20.40"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 113,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC-SA"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "MoNA ID",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/JP003149",
"Value": {
"StringWithMarkup": [
{
"String": "JP003149"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "MS Category",
"Value": {
"StringWithMarkup": [
{
"String": "Experimental"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "MS Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-MS"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS1"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Unknown"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "CI-B"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "121 99.99"
},
{
"String": "163 34"
},
{
"String": "181 17"
},
{
"String": "139 8"
},
{
"String": "122 8"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-00di-0900000000-113943b65024522c1712%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00di-0900000000-113943b65024522c1712"
}
]
}
},
{
"ReferenceNumber": 114,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=121:99.99,163:34,181:17,139:8,122:8",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=121:99.99,163:34,181:17,139:8,122:8"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 114,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC-SA"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "MoNA ID",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/OUF00091",
"Value": {
"StringWithMarkup": [
{
"String": "OUF00091"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "MS Category",
"Value": {
"StringWithMarkup": [
{
"String": "Experimental"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "MS Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-MS"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS1"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "GC-EI-TOF"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "556.862 sec"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "267 100"
},
{
"String": "135 47.95"
},
{
"String": "91 39.64"
},
{
"String": "149 29.63"
},
{
"String": "268 24.92"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-014l-2960000000-ffcb8d28ab7e460b0da8%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-014l-2960000000-ffcb8d28ab7e460b0da8"
}
]
}
},
{
"ReferenceNumber": 115,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267:100,135:47.95,91:39.64,149:29.63,268:24.92",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267:100,135:47.95,91:39.64,149:29.63,268:24.92"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 115,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-SA"
}
]
}
},
{
"ReferenceNumber": 143,
"Name": "NIST Number",
"Value": {
"Number": [
250572
]
}
},
{
"ReferenceNumber": 143,
"Name": "Library",
"Value": {
"StringWithMarkup": [
{
"String": "Main library"
}
]
}
},
{
"ReferenceNumber": 143,
"Name": "Total Peaks",
"Value": {
"Number": [
74
]
}
},
{
"ReferenceNumber": 143,
"Name": "m/z Top Peak",
"Value": {
"Number": [
120
]
}
},
{
"ReferenceNumber": 143,
"Name": "m/z 2nd Highest",
"Value": {
"Number": [
138
]
}
},
{
"ReferenceNumber": 143,
"Name": "m/z 3rd Highest",
"Value": {
"Number": [
43
]
}
},
{
"ReferenceNumber": 143,
"Name": "Thumbnail",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/107405_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 144,
"Name": "NIST Number",
"Value": {
"Number": [
290983
]
}
},
{
"ReferenceNumber": 144,
"Name": "Library",
"Value": {
"StringWithMarkup": [
{
"String": "Replicate library"
}
]
}
},
{
"ReferenceNumber": 144,
"Name": "Total Peaks",
"Value": {
"Number": [
59
]
}
},
{
"ReferenceNumber": 144,
"Name": "m/z Top Peak",
"Value": {
"Number": [
120
]
}
},
{
"ReferenceNumber": 144,
"Name": "m/z 2nd Highest",
"Value": {
"Number": [
43
]
}
},
{
"ReferenceNumber": 144,
"Name": "m/z 3rd Highest",
"Value": {
"Number": [
121
]
}
},
{
"ReferenceNumber": 144,
"Name": "Thumbnail",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/266476_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 145,
"Name": "NIST Number",
"Value": {
"Number": [
379478
]
}
},
{
"ReferenceNumber": 145,
"Name": "Library",
"Value": {
"StringWithMarkup": [
{
"String": "Replicate library"
}
]
}
},
{
"ReferenceNumber": 145,
"Name": "Total Peaks",
"Value": {
"Number": [
57
]
}
},
{
"ReferenceNumber": 145,
"Name": "m/z Top Peak",
"Value": {
"Number": [
120
]
}
},
{
"ReferenceNumber": 145,
"Name": "m/z 2nd Highest",
"Value": {
"Number": [
43
]
}
},
{
"ReferenceNumber": 145,
"Name": "m/z 3rd Highest",
"Value": {
"Number": [
121
]
}
},
{
"ReferenceNumber": 145,
"Name": "Thumbnail",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/266477_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 146,
"Name": "NIST Number",
"Value": {
"Number": [
189933
]
}
},
{
"ReferenceNumber": 146,
"Name": "Library",
"Value": {
"StringWithMarkup": [
{
"String": "Replicate library"
}
]
}
},
{
"ReferenceNumber": 146,
"Name": "Total Peaks",
"Value": {
"Number": [
60
]
}
},
{
"ReferenceNumber": 146,
"Name": "m/z Top Peak",
"Value": {
"Number": [
120
]
}
},
{
"ReferenceNumber": 146,
"Name": "m/z 2nd Highest",
"Value": {
"Number": [
43
]
}
},
{
"ReferenceNumber": 146,
"Name": "m/z 3rd Highest",
"Value": {
"Number": [
138
]
}
},
{
"ReferenceNumber": 146,
"Name": "Thumbnail",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/266479_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 147,
"Name": "NIST Number",
"Value": {
"Number": [
287701
]
}
},
{
"ReferenceNumber": 147,
"Name": "Library",
"Value": {
"StringWithMarkup": [
{
"String": "Replicate library"
}
]
}
},
{
"ReferenceNumber": 147,
"Name": "Total Peaks",
"Value": {
"Number": [
141
]
}
},
{
"ReferenceNumber": 147,
"Name": "m/z Top Peak",
"Value": {
"Number": [
120
]
}
},
{
"ReferenceNumber": 147,
"Name": "m/z 2nd Highest",
"Value": {
"Number": [
43
]
}
},
{
"ReferenceNumber": 147,
"Name": "m/z 3rd Highest",
"Value": {
"Number": [
138
]
}
},
{
"ReferenceNumber": 147,
"Name": "Thumbnail",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/266480_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 160,
"Name": "Source of Spectrum",
"Value": {
"StringWithMarkup": [
{
"String": "Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences"
}
]
}
},
{
"ReferenceNumber": 160,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 160,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/VEyU80HVqz",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4686301_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 161,
"Name": "Source of Spectrum",
"Value": {
"StringWithMarkup": [
{
"String": "Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences"
}
]
}
},
{
"ReferenceNumber": 161,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 161,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/F2hhMNoooB3",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4686302_1"
],
"MimeType": "image/png"
}
}
]
},
{
"TOCHeading": "MS-MS",
"Description": "Data from tandem mass spectrometry (MS-MS) experiments.",
"URL": "https://goldbook.iupac.org/terms/view/T06250",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 68,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/ms_ms/2236193",
"Value": {
"StringWithMarkup": [
{
"String": "2236193"
}
]
}
},
{
"ReferenceNumber": 68,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "Positive"
}
]
}
},
{
"ReferenceNumber": 68,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-02tc-9000000000-5cf7637656d9c6f89906%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-02tc-9000000000-5cf7637656d9c6f89906"
}
]
}
},
{
"ReferenceNumber": 68,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "65.0385 100"
},
{
"String": "92.0255 62.05"
},
{
"String": "63.0228 42.97"
},
{
"String": "64.0307 29.06"
},
{
"String": "95.049 26.31"
}
]
}
},
{
"ReferenceNumber": 68,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0385:100,92.0255:62.05,63.0228:42.97,64.0307:29.06,95.049:26.31",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0385:100,92.0255:62.05,63.0228:42.97,64.0307:29.06,95.049:26.31"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 69,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/ms_ms/2236667",
"Value": {
"StringWithMarkup": [
{
"String": "2236667"
}
]
}
},
{
"ReferenceNumber": 69,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "Negative"
}
]
}
},
{
"ReferenceNumber": 69,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-000f-9500000000-159ef943f0f6ee5f0ff7%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000f-9500000000-159ef943f0f6ee5f0ff7"
}
]
}
},
{
"ReferenceNumber": 69,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93.03314 100"
},
{
"String": "137.02347 63.88"
},
{
"String": "59.01123 4.50"
},
{
"String": "96.07506 1.29"
}
]
}
},
{
"ReferenceNumber": 69,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.03314:100,137.02347:63.88,59.01123:4.50,96.07506:1.29",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.03314:100,137.02347:63.88,59.01123:4.50,96.07506:1.29"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 70,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/ms_ms/2236693",
"Value": {
"StringWithMarkup": [
{
"String": "2236693"
}
]
}
},
{
"ReferenceNumber": 70,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "Negative"
}
]
}
},
{
"ReferenceNumber": 70,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-03di-0900000000-1565edcf7851b501f5cf%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-03di-0900000000-1565edcf7851b501f5cf"
}
]
}
},
{
"ReferenceNumber": 70,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "110.0243 100"
},
{
"String": "113.0349 87.50"
}
]
}
},
{
"ReferenceNumber": 70,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=110.0243:100,113.0349:87.50",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=110.0243:100,113.0349:87.50"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 71,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/ms_ms/1777",
"Value": {
"StringWithMarkup": [
{
"String": "1777"
}
]
}
},
{
"ReferenceNumber": 71,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "Quattro_QQQ"
}
]
}
},
{
"ReferenceNumber": 71,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "Positive"
}
]
}
},
{
"ReferenceNumber": 71,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-00kr-6900000000-324f46e8def1652ed4bf%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00kr-6900000000-324f46e8def1652ed4bf"
}
]
}
},
{
"ReferenceNumber": 71,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "85.0 100"
},
{
"String": "117.0 84.54"
},
{
"String": "149.0 27.17"
},
{
"String": "116.0 14.14"
},
{
"String": "163.0 11.20"
}
]
}
},
{
"ReferenceNumber": 71,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=85.0:100,117.0:84.54,149.0:27.17,116.0:14.14,163.0:11.20",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=85.0:100,117.0:84.54,149.0:27.17,116.0:14.14,163.0:11.20"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 71,
"Name": "Notes",
"Value": {
"StringWithMarkup": [
{
"String": "delivery=Flow_Injectionanalyzer=Triple_Quad"
}
]
}
},
{
"ReferenceNumber": 72,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/ms_ms/1778",
"Value": {
"StringWithMarkup": [
{
"String": "1778"
}
]
}
},
{
"ReferenceNumber": 72,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "Quattro_QQQ"
}
]
}
},
{
"ReferenceNumber": 72,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "Positive"
}
]
}
},
{
"ReferenceNumber": 72,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-000i-9000000000-cdf64eaf75083da6f355%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000i-9000000000-cdf64eaf75083da6f355"
}
]
}
},
{
"ReferenceNumber": 72,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "85.0 100"
},
{
"String": "84.0 14.64"
},
{
"String": "117.0 8.18"
},
{
"String": "41.0 4.08"
},
{
"String": "93.0 3.16"
}
]
}
},
{
"ReferenceNumber": 72,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=85.0:100,84.0:14.64,117.0:8.18,41.0:4.08,93.0:3.16",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=85.0:100,84.0:14.64,117.0:8.18,41.0:4.08,93.0:3.16"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 72,
"Name": "Notes",
"Value": {
"StringWithMarkup": [
{
"String": "delivery=Flow_Injectionanalyzer=Triple_Quad"
}
]
}
},
{
"ReferenceNumber": 73,
"Name": "Spectra ID",
"URL": "https://hmdb.ca/spectra/ms_ms/1779",
"Value": {
"StringWithMarkup": [
{
"String": "1779"
}
]
}
},
{
"ReferenceNumber": 73,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "Quattro_QQQ"
}
]
}
},
{
"ReferenceNumber": 73,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "Positive"
}
]
}
},
{
"ReferenceNumber": 73,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-000i-9000000000-ee75806b6fb8a38fd697%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000i-9000000000-ee75806b6fb8a38fd697"
}
]
}
},
{
"ReferenceNumber": 73,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "85.0 100"
},
{
"String": "41.0 39.95"
},
{
"String": "84.0 15.57"
},
{
"String": "65.0 7.87"
},
{
"String": "77.0 6.90"
}
]
}
},
{
"ReferenceNumber": 73,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=85.0:100,41.0:39.95,84.0:15.57,65.0:7.87,77.0:6.90",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=85.0:100,41.0:39.95,84.0:15.57,65.0:7.87,77.0:6.90"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 73,
"Name": "Notes",
"Value": {
"StringWithMarkup": [
{
"String": "delivery=Flow_Injectionanalyzer=Triple_Quad"
}
]
}
},
{
"ReferenceNumber": 148,
"Name": "NIST Number",
"Value": {
"Number": [
1184852
]
}
},
{
"ReferenceNumber": 148,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "IT/ion trap"
}
]
}
},
{
"ReferenceNumber": 148,
"Name": "Collision Energy",
"Value": {
"Number": [
0
]
}
},
{
"ReferenceNumber": 148,
"Name": "Spectrum Type",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 148,
"Name": "Precursor Type",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 148,
"Name": "Precursor m/z",
"Value": {
"Number": [
179.035
]
}
},
{
"ReferenceNumber": 148,
"Name": "Total Peaks",
"Value": {
"Number": [
20
]
}
},
{
"ReferenceNumber": 148,
"Name": "m/z Top Peak",
"Value": {
"Number": [
134.9
]
}
},
{
"ReferenceNumber": 148,
"Name": "m/z 2nd Highest",
"Value": {
"Number": [
134
]
}
},
{
"ReferenceNumber": 148,
"Name": "m/z 3rd Highest",
"Value": {
"Number": [
151
]
}
},
{
"ReferenceNumber": 148,
"Name": "Thumbnail",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/283045_1"
],
"MimeType": "image/png"
}
}
]
},
{
"TOCHeading": "LC-MS",
"Description": "Data from liquid chromatography-mass spectrometry (LC-MS) experiments.",
"URL": "https://chem.libretexts.org/Bookshelves/General_Chemistry/Book%3A_Structure_and_Reactivity_in_Organic_Biological_and_Inorganic_Chemistry_(Schaller)/II%3A_Practical_Aspects_of_Structure_-_Purification_and_Spectroscopy/06%3A_Introductory_Mass_Spectrometry/6.03%3A_GC-MS_and_LC-MS",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 84,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-ACES_SU-AS000149",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-ACES_SU-AS000149"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "ACESx, Jonathan W. Martin Group"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "QExactive Orbitrap HF-X (Thermo Scientific)"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "Ramp 20%-70% (nominal)"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "Waters; Acquity UPLC BEH C18, 2.1 x 100 mm, 1.7 um, Waters"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "11.1946"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "149.02348 999"
},
{
"String": "163.03931 624"
},
{
"String": "121.02859 162"
},
{
"String": "163.07509 128"
},
{
"String": "181.12311 101"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-01ot-1900000000-26847a6b8a260937a527",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-01ot-1900000000-26847a6b8a260937a527"
}
]
}
},
{
"ReferenceNumber": 84,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.02348:999,163.03931:624,121.02859:162,163.07509:128,181.12311:101",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.02348:999,163.03931:624,121.02859:162,163.07509:128,181.12311:101"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 84,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP011211",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-BGC_Munich-RP011211"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "BGC, Helmholtz Zentrum Muenchen"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "maXis plus UHR-ToF-MS, Bruker Daltonics"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QTOF"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "10"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "CID"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "BEH C18 1.7um, 2.1x100mm, Waters"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "8.412 min"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "110.0243 999"
},
{
"String": "113.0349 874"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-03di-0900000000-1565edcf7851b501f5cf",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-03di-0900000000-1565edcf7851b501f5cf"
}
]
}
},
{
"ReferenceNumber": 85,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=110.0243:999,113.0349:874,",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=110.0243:999,113.0349:874,"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 85,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357801",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357801"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "15 (nominal)"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "149.0231 999"
},
{
"String": "163.0386 637"
},
{
"String": "181.0493 6"
},
{
"String": "167.0337 2"
},
{
"String": "65.0385 2"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-01ot-0900000000-1256ca04e4244fbc4a64",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-01ot-0900000000-1256ca04e4244fbc4a64"
}
]
}
},
{
"ReferenceNumber": 86,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:637,181.0493:6,167.0337:2,65.0385:2",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:637,181.0493:6,167.0337:2,65.0385:2"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 86,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357802",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357802"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "30 (nominal)"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "149.0231 999"
},
{
"String": "163.0386 632"
},
{
"String": "181.0493 4"
},
{
"String": "133.0282 3"
},
{
"String": "167.0336 2"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-01ot-0900000000-2cae7e19320bfa1a03a0",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-01ot-0900000000-2cae7e19320bfa1a03a0"
}
]
}
},
{
"ReferenceNumber": 87,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:632,181.0493:4,133.0282:3,167.0336:2",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:632,181.0493:4,133.0282:3,167.0336:2"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 87,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357803",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357803"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "45 (nominal)"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "149.0231 999"
},
{
"String": "163.0386 634"
},
{
"String": "121.0282 49"
},
{
"String": "133.0282 46"
},
{
"String": "135.0438 39"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-01ot-0900000000-42f69c49b256900b7524",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-01ot-0900000000-42f69c49b256900b7524"
}
]
}
},
{
"ReferenceNumber": 88,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:634,121.0282:49,133.0282:46,135.0438:39",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:634,121.0282:49,133.0282:46,135.0438:39"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 88,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357804",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357804"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "60 (nominal)"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "149.0231 999"
},
{
"String": "163.0386 530"
},
{
"String": "121.0282 282"
},
{
"String": "135.0438 178"
},
{
"String": "133.0282 169"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-01ot-0900000000-4860d5cbeeb9c31311ec",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-01ot-0900000000-4860d5cbeeb9c31311ec"
}
]
}
},
{
"ReferenceNumber": 89,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:530,121.0282:282,135.0438:178,133.0282:169",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,163.0386:530,121.0282:282,135.0438:178,133.0282:169"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 89,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357805",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357805"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "75 (nominal)"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "149.0231 999"
},
{
"String": "121.0282 762"
},
{
"String": "65.0384 580"
},
{
"String": "121.0394 377"
},
{
"String": "135.0438 376"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-006t-3900000000-cc185048e2a1bcc52124",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-006t-3900000000-cc185048e2a1bcc52124"
}
]
}
},
{
"ReferenceNumber": 90,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,121.0282:762,65.0384:580,121.0394:377,135.0438:376",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0231:999,121.0282:762,65.0384:580,121.0394:377,135.0438:376"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 90,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357806",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357806"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "90 (nominal)"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "65.0384 999"
},
{
"String": "121.0282 376"
},
{
"String": "95.049 371"
},
{
"String": "121.0394 310"
},
{
"String": "105.0446 251"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-01ba-9700000000-ec436cb71e803899f611",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-01ba-9700000000-ec436cb71e803899f611"
}
]
}
},
{
"ReferenceNumber": 91,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0384:999,121.0282:376,95.049:371,121.0394:310,105.0446:251",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0384:999,121.0282:376,95.049:371,121.0394:310,105.0446:251"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 91,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357807",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357807"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "120 (nominal)"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "65.0385 999"
},
{
"String": "92.0255 397"
},
{
"String": "95.049 261"
},
{
"String": "77.0384 210"
},
{
"String": "105.0446 186"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-014i-9100000000-75f611f9e761b63033d9",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-014i-9100000000-75f611f9e761b63033d9"
}
]
}
},
{
"ReferenceNumber": 92,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0385:999,92.0255:397,95.049:261,77.0384:210,105.0446:186",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0385:999,92.0255:397,95.049:261,77.0384:210,105.0446:186"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 92,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357808",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357808"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "150 (nominal)"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "65.0385 999"
},
{
"String": "92.0255 619"
},
{
"String": "63.0228 429"
},
{
"String": "64.0307 290"
},
{
"String": "95.049 262"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-02tc-9000000000-15b9abe0f191aedd9620",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-02tc-9000000000-15b9abe0f191aedd9620"
}
]
}
},
{
"ReferenceNumber": 93,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0385:999,92.0255:619,63.0228:429,64.0307:290,95.049:262",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0385:999,92.0255:619,63.0228:429,64.0307:290,95.049:262"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 93,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357809",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357809"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "180 (nominal)"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "20.3 min"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0495"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "63.0228 999"
},
{
"String": "51.0229 453"
},
{
"String": "65.0385 357"
},
{
"String": "64.0306 336"
},
{
"String": "50.0151 273"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0ik9-9000000000-644d508a79eb48c24ec3",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0ik9-9000000000-644d508a79eb48c24ec3"
}
]
}
},
{
"ReferenceNumber": 94,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=63.0228:999,51.0229:453,65.0385:357,64.0306:336,50.0151:273",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=63.0228:999,51.0229:453,65.0385:357,64.0306:336,50.0151:273"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 94,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357851",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357851"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "15 (nominal)"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "137.0243 999"
},
{
"String": "93.0345 98"
},
{
"String": "59.0138 91"
},
{
"String": "107.0502 10"
},
{
"String": "179.035 8"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-000i-1900000000-bc50013edb10656e0aa4",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000i-1900000000-bc50013edb10656e0aa4"
}
]
}
},
{
"ReferenceNumber": 95,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137.0243:999,93.0345:98,59.0138:91,107.0502:10,179.035:8",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137.0243:999,93.0345:98,59.0138:91,107.0502:10,179.035:8"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 95,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357852",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357852"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "30 (nominal)"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "137.0243 999"
},
{
"String": "93.0345 141"
},
{
"String": "59.0138 108"
},
{
"String": "107.0502 9"
},
{
"String": "179.035 7"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-000i-2900000000-8c55c1f8d7cb7f247a5d",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000i-2900000000-8c55c1f8d7cb7f247a5d"
}
]
}
},
{
"ReferenceNumber": 96,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137.0243:999,93.0345:141,59.0138:108,107.0502:9,179.035:7",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137.0243:999,93.0345:141,59.0138:108,107.0502:9,179.035:7"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 96,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357853",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357853"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "45 (nominal)"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "137.0244 999"
},
{
"String": "93.0345 961"
},
{
"String": "59.0138 333"
},
{
"String": "138.0278 8"
},
{
"String": "121.0296 7"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-000l-9700000000-d475fd0478daf18a419a",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000l-9700000000-d475fd0478daf18a419a"
}
]
}
},
{
"ReferenceNumber": 97,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137.0244:999,93.0345:961,59.0138:333,138.0278:8,121.0296:7",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137.0244:999,93.0345:961,59.0138:333,138.0278:8,121.0296:7"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 97,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357854",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357854"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "60 (nominal)"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93.0345 999"
},
{
"String": "59.0138 286"
},
{
"String": "137.0244 221"
},
{
"String": "135.0452 4"
},
{
"String": "65.0397 4"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0006-9100000000-3daaf3c8697e17e67869",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0006-9100000000-3daaf3c8697e17e67869"
}
]
}
},
{
"ReferenceNumber": 98,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0345:999,59.0138:286,137.0244:221,135.0452:4,65.0397:4",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0345:999,59.0138:286,137.0244:221,135.0452:4,65.0397:4"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 98,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357855",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357855"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "75 (nominal)"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93.0345 999"
},
{
"String": "59.0138 261"
},
{
"String": "137.0243 45"
},
{
"String": "65.0397 20"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0006-9000000000-ee876bcdd1a5c7c229a0",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0006-9000000000-ee876bcdd1a5c7c229a0"
}
]
}
},
{
"ReferenceNumber": 99,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0345:999,59.0138:261,137.0243:45,65.0397:20,",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0345:999,59.0138:261,137.0243:45,65.0397:20,"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 99,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357856",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357856"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "90 (nominal)"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93.0345 999"
},
{
"String": "59.0138 249"
},
{
"String": "65.0397 54"
},
{
"String": "137.0243 8"
},
{
"String": "94.0379 8"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0006-9000000000-cd4e1f8fe0a2bbc869f9",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0006-9000000000-cd4e1f8fe0a2bbc869f9"
}
]
}
},
{
"ReferenceNumber": 100,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0345:999,59.0138:249,65.0397:54,137.0243:8,94.0379:8",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0345:999,59.0138:249,65.0397:54,137.0243:8,94.0379:8"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 100,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357857",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357857"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "120 (nominal)"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93.0346 999"
},
{
"String": "59.0138 252"
},
{
"String": "65.0397 229"
},
{
"String": "75.0241 20"
},
{
"String": "67.019 4"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0006-9000000000-4dca49851b5b9fd03d1a",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0006-9000000000-4dca49851b5b9fd03d1a"
}
]
}
},
{
"ReferenceNumber": 101,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0346:999,59.0138:252,65.0397:229,75.0241:20,67.019:4",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0346:999,59.0138:252,65.0397:229,75.0241:20,67.019:4"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 101,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357858",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357858"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "150 (nominal)"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93.0346 999"
},
{
"String": "65.0397 651"
},
{
"String": "59.0138 318"
},
{
"String": "75.024 79"
},
{
"String": "67.0189 18"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-00kf-9000000000-4611655c6aff89d706eb",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00kf-9000000000-4611655c6aff89d706eb"
}
]
}
},
{
"ReferenceNumber": 102,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0346:999,65.0397:651,59.0138:318,75.024:79,67.0189:18",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93.0346:999,65.0397:651,59.0138:318,75.024:79,67.0189:18"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 102,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ357859",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Eawag-EQ357859"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Q Exactive Plus Orbitrap Thermo Scientific"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QFT"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "180 (nominal)"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "XBridge C18 3.5um, 2.1x50mm, Waters"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "5.5 min"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "179.035"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Precursor Adduct",
"Value": {
"StringWithMarkup": [
{
"String": "[M-H]-"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "65.0397 999"
},
{
"String": "93.0345 746"
},
{
"String": "59.0138 348"
},
{
"String": "75.0241 98"
},
{
"String": "67.0189 47"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-014l-9000000000-4d636e2d7318b857528d",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-014l-9000000000-4d636e2d7318b857528d"
}
]
}
},
{
"ReferenceNumber": 103,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0397:999,93.0345:746,59.0138:348,75.0241:98,67.0189:47",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0397:999,93.0345:746,59.0138:348,75.0241:98,67.0189:47"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 103,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS101902",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-RIKEN_ReSpect-PS101902"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "TQD, Waters"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-QQ"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "20"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.12"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "99 999"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-9000000000-e5837555ecff4ecf9652",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0002-9000000000-e5837555ecff4ecf9652"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=99:999,",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=99:999,"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 108,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
},
{
"ReferenceNumber": 108,
"Name": "Reference",
"Value": {
"StringWithMarkup": [
{
"String": "Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37-47. DOI:10.1093/pcp/pcn183"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000527",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Waters-WA000527"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Nihon Waters K.K."
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "ZQ, Waters"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-Q"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "2.1 mm id - 3. 5{mu}m XTerra C18MS"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "12.900 min"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93 999"
},
{
"String": "91 106"
},
{
"String": "92 67"
},
{
"String": "94 67"
},
{
"String": "137 24"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0006-9000000000-afe34149c86ef00cd97d",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0006-9000000000-afe34149c86ef00cd97d"
}
]
}
},
{
"ReferenceNumber": 109,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93:999,91:106,92:67,94:67,137:24",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93:999,91:106,92:67,94:67,137:24"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 109,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000528",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Waters-WA000528"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Nihon Waters K.K."
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "ZQ, Waters"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-Q"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "2.1 mm id - 3. 5{mu}m XTerra C18MS"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "12.900 min"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93 999"
},
{
"String": "137 302"
},
{
"String": "135 63"
},
{
"String": "94 59"
},
{
"String": "138 20"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0006-9300000000-0a6b0df68710626b84f9",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0006-9300000000-0a6b0df68710626b84f9"
}
]
}
},
{
"ReferenceNumber": 110,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93:999,137:302,135:63,94:59,138:20",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93:999,137:302,135:63,94:59,138:20"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 110,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000529",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Waters-WA000529"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Nihon Waters K.K."
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "ZQ, Waters"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-Q"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "2.1 mm id - 3. 5{mu}m XTerra C18MS"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "12.900 min"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "137 999"
},
{
"String": "93 86"
},
{
"String": "179 86"
},
{
"String": "138 78"
},
{
"String": "135 20"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-000i-0900000000-2714fe91b8ca12090cc7",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000i-0900000000-2714fe91b8ca12090cc7"
}
]
}
},
{
"ReferenceNumber": 111,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:999,93:86,179:86,138:78,135:20",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:999,93:86,179:86,138:78,135:20"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 111,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000530",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Waters-WA000530"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Nihon Waters K.K."
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "ZQ, Waters"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-Q"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "NEGATIVE"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "2.1 mm id - 3. 5{mu}m XTerra C18MS"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "12.900 min"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "137 999"
},
{
"String": "179 619"
},
{
"String": "138 59"
},
{
"String": "180 59"
},
{
"String": "92 47"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-002r-0900000000-9f77fb7a74c16d228a78",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-002r-0900000000-9f77fb7a74c16d228a78"
}
]
}
},
{
"ReferenceNumber": 112,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:999,179:619,138:59,180:59,92:47",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:999,179:619,138:59,180:59,92:47"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 112,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "MoNA ID",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/WA000530",
"Value": {
"StringWithMarkup": [
{
"String": "WA000530"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "MS Category",
"Value": {
"StringWithMarkup": [
{
"String": "Experimental"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "MS Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-MS"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS1"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "ZQ, Waters"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-Q"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "negative"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "12.900 min"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "137 100"
},
{
"String": "179 61.96"
},
{
"String": "138 5.91"
},
{
"String": "180 5.91"
},
{
"String": "92 4.70"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-002r-0900000000-9f77fb7a74c16d228a78%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-002r-0900000000-9f77fb7a74c16d228a78"
}
]
}
},
{
"ReferenceNumber": 117,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:100,179:61.96,138:5.91,180:5.91,92:4.70",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:100,179:61.96,138:5.91,180:5.91,92:4.70"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 117,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "MoNA ID",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/WA000529",
"Value": {
"StringWithMarkup": [
{
"String": "WA000529"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "MS Category",
"Value": {
"StringWithMarkup": [
{
"String": "Experimental"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "MS Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-MS"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS1"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "ZQ, Waters"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-Q"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "negative"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "12.900 min"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "137 100"
},
{
"String": "93 8.61"
},
{
"String": "179 8.61"
},
{
"String": "138 7.81"
},
{
"String": "135 2"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-000i-0900000000-2714fe91b8ca12090cc7%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-000i-0900000000-2714fe91b8ca12090cc7"
}
]
}
},
{
"ReferenceNumber": 118,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:100,93:8.61,179:8.61,138:7.81,135:2",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=137:100,93:8.61,179:8.61,138:7.81,135:2"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 118,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "MoNA ID",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/WA000528",
"Value": {
"StringWithMarkup": [
{
"String": "WA000528"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "MS Category",
"Value": {
"StringWithMarkup": [
{
"String": "Experimental"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "MS Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-MS"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS1"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "ZQ, Waters"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-ESI-Q"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "negative"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "12.900 min"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "93 100"
},
{
"String": "137 30.23"
},
{
"String": "135 6.31"
},
{
"String": "94 5.91"
},
{
"String": "138 2"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-0006-9300000000-0a6b0df68710626b84f9%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0006-9300000000-0a6b0df68710626b84f9"
}
]
}
},
{
"ReferenceNumber": 119,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93:100,137:30.23,135:6.31,94:5.91,138:2",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=93:100,137:30.23,135:6.31,94:5.91,138:2"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 119,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC"
}
]
}
}
]
},
{
"TOCHeading": "Other MS",
"Description": "This section provides this compound's mass spectrometry (MS) information that is not shown in other sections.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1347"
],
"Value": {
"StringWithMarkup": [
{
"String": "MASS: 23813 (NIST/EPA/MSDC Mass Spectral database, 1990 version)",
"Markup": [
{
"Start": 22,
"Length": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/MSDC",
"Type": "PubChem Internal Link",
"Extra": "CID-131526"
}
]
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-ACES_SU-AS000078",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-ACES_SU-AS000078"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "ACESx, Jonathan W. Martin Group"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "QExactive Orbitrap HF-X (Thermo Scientific)"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "LC-APCI-QFT"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "APCI"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "Ramp 20%-70% (nominal)"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Fragmentation Mode",
"Value": {
"StringWithMarkup": [
{
"String": "HCD"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "Waters; Acquity UPLC BEH C18, 2.1 x 100 mm, 1.7 um, Waters"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "11.1637"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.0497"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "149.02261 999"
},
{
"String": "149.02432 962"
},
{
"String": "163.03806 621"
},
{
"String": "163.04001 601"
},
{
"String": "121.02809 176"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-01ot-0900000000-99289ae972d2e0d3a907",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-01ot-0900000000-99289ae972d2e0d3a907"
}
]
}
},
{
"ReferenceNumber": 83,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.02261:999,149.02432:962,163.03806:621,163.04001:601,121.02809:176",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.02261:999,149.02432:962,163.03806:621,163.04001:601,121.02809:176"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 83,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003093",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Fac_Eng_Univ_Tokyo-JP003093"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "SASAKI S, TOYOHASHI UNIV. OF TECH."
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Unknown"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "EI-B"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "120 999"
},
{
"String": "92 552"
},
{
"String": "28 419"
},
{
"String": "42 310"
},
{
"String": "121 204"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-00dl-9400000000-64327d3bef0063cf4fe1",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00dl-9400000000-64327d3bef0063cf4fe1"
}
]
}
},
{
"ReferenceNumber": 104,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=120:999,92:552,28:419,42:310,121:204",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=120:999,92:552,28:419,42:310,121:204"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 104,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC-SA"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003149",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-Fac_Eng_Univ_Tokyo-JP003149"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV."
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "Unknown"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "CI-B"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "121 999"
},
{
"String": "163 340"
},
{
"String": "181 170"
},
{
"String": "122 80"
},
{
"String": "139 80"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-00di-0900000000-113943b65024522c1712",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-00di-0900000000-113943b65024522c1712"
}
]
}
},
{
"ReferenceNumber": 105,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=121:999,163:340,181:170,122:80,139:80",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=121:999,163:340,181:170,122:80,139:80"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 105,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-NC-SA"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Accession ID",
"URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-GL_Sciences_Inc-GLS00125",
"Value": {
"StringWithMarkup": [
{
"String": "MSBNK-GL_Sciences_Inc-GLS00125"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Authors",
"Value": {
"StringWithMarkup": [
{
"String": "Miyagawa H, Akimoto S, Yamasaki K, GL Sciences Inc."
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "GCMS-2010 Plus, Shimadzu"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "EI-B"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "POSITIVE"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Column Name",
"Value": {
"StringWithMarkup": [
{
"String": "InertCap 5MS/NP 0.25 mmI.D. x 30 m, df=0.25 um"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Retention Time",
"Value": {
"StringWithMarkup": [
{
"String": "592.29"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "267 999"
},
{
"String": "268.05 228"
},
{
"String": "209 210"
},
{
"String": "149.05 182"
},
{
"String": "91.05 163"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "SPLASH",
"URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-014i-1590000000-7890c99ca2b0e2c4ff19",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-014i-1590000000-7890c99ca2b0e2c4ff19"
}
]
}
},
{
"ReferenceNumber": 106,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267:999,268.05:228,209:210,149.05:182,91.05:163",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=267:999,268.05:228,209:210,149.05:182,91.05:163"
],
"MimeType": "image/svg"
}
},
{
"ReferenceNumber": 106,
"Name": "License",
"Value": {
"StringWithMarkup": [
{
"String": "CC BY-SA"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "MoNA ID",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/PS101902",
"Value": {
"StringWithMarkup": [
{
"String": "PS101902"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "MS Category",
"Value": {
"StringWithMarkup": [
{
"String": "Experimental"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "MS Type",
"Value": {
"StringWithMarkup": [
{
"String": "Other"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "MS Level",
"Value": {
"StringWithMarkup": [
{
"String": "MS2"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Precursor Type",
"Value": {
"StringWithMarkup": [
{
"String": "[M+H]+"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Precursor m/z",
"Value": {
"StringWithMarkup": [
{
"String": "181.12"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Instrument",
"Value": {
"StringWithMarkup": [
{
"String": "TQD, Waters"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Instrument Type",
"Value": {
"StringWithMarkup": [
{
"String": "Flow-injection QqQ/MS"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Ionization",
"Value": {
"StringWithMarkup": [
{
"String": "ESI"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Ionization Mode",
"Value": {
"StringWithMarkup": [
{
"String": "positive"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Collision Energy",
"Value": {
"StringWithMarkup": [
{
"String": "20"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Top 5 Peaks",
"Value": {
"StringWithMarkup": [
{
"String": "99 100"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "SPLASH",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-0002-9000000000-e5837555ecff4ecf9652%27)",
"Value": {
"StringWithMarkup": [
{
"String": "splash10-0002-9000000000-e5837555ecff4ecf9652"
}
]
}
},
{
"ReferenceNumber": 116,
"Name": "Thumbnail",
"URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=99:100",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=99:100"
],
"MimeType": "image/svg"
}
}
]
}
]
},
{
"TOCHeading": "UV Spectra",
"Description": "Ultraviolet (UV) spectroscopy (or Spectrophotometry) is an analytical technique used to measure how much a molecule absorbs light in the ultraviolet spectral region. This technique is particularly useful to study aromatic, conjugated, and other substances containing a pi bond. Modern ultraviolet spectrophotometers also cover the visible light range, in which case the technique is called ultraviolet-visible (UV-Vis) spectroscopy.",
"URL": "https://chem.libretexts.org/Courses/Brevard_College/CHE_202%3A_Organic_Chemistry_II/05%3A_Structural__Determination_I/5.05%3A_Ultraviolet_and_visible_spectroscopy",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Weast, R.C. (ed.). Handbook of Chemistry and Physics. 57th ed. Cleveland: CRC Press Inc., 1976., p. C-191"
],
"Value": {
"StringWithMarkup": [
{
"String": "MAX ABSORPTION (ETHER): 275 NM (LOG E= 3.11); SADTLER REF NUMBER: 51 (IR, PRISM)"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "UV max: (0.1 N H2SO4): 229 (E(1%)(cm) 484); (CHCl3): 277 (E(1%)(cm) 68)"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1347"
],
"Value": {
"StringWithMarkup": [
{
"String": "UV: 25 (Sadtler Research Laboratories Spectral Collection)"
}
]
}
}
]
},
{
"TOCHeading": "IR Spectra",
"Description": "Infrared spectroscopy (IR spectroscopy) is the spectroscopy that deals with the infrared region of the electromagnetic spectrum extending from 780 nm to about 20000 nm. The IR spectra tells you what types of vibrational mode (motion) responses occur in a molecule interacting with infrared light. It is used to help determine the functional groups in a molecule.",
"URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Spectroscopy/Vibrational_Spectroscopy/Infrared_Spectroscopy",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1347"
],
"Value": {
"StringWithMarkup": [
{
"String": "IR: 5063 (Coblentz Society Spectral Collection)"
}
]
}
}
],
"Section": [
{
"TOCHeading": "FTIR Spectra",
"Description": "Fourier transform infrared spectroscopy (FTIR) results for this chemical.",
"URL": "https://chem.libretexts.org/Courses/Howard_University/Howard%3A_Physical_Chemistry_Laboratory/14._Fourier_Transform_Infrared_Spectroscopy_(FTIR)",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 167,
"Name": "Technique",
"Value": {
"StringWithMarkup": [
{
"String": "NEAT"
}
]
}
},
{
"ReferenceNumber": 167,
"Name": "Source of Sample",
"Value": {
"StringWithMarkup": [
{
"String": "Ethyl Corporation"
}
]
}
},
{
"ReferenceNumber": 167,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 167,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/8VOBQEyDZ2o",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/9917651_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 168,
"Name": "Instrument Name",
"Value": {
"StringWithMarkup": [
{
"String": "Bruker IFS 85"
}
]
}
},
{
"ReferenceNumber": 168,
"Name": "Technique",
"Value": {
"StringWithMarkup": [
{
"String": "KBr-Pellet"
}
]
}
},
{
"ReferenceNumber": 168,
"Name": "Source of Sample",
"Value": {
"StringWithMarkup": [
{
"String": "E. Merck AG, Darmstadt"
}
]
}
},
{
"ReferenceNumber": 168,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 168,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/9pGZMT21HxZ",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/9917652_1"
],
"MimeType": "image/png"
}
}
]
},
{
"TOCHeading": "ATR-IR Spectra",
"Description": "Attenuated total reflection infrared (ATR-IR) spectral data. ATR is a sampling technique that enables samples to be examined directly in the solid or liquid state without further preparation. ATR-IR can be applied to the same chemical or biological systems as the transmission IR. An advantage of ATR-IR over the transmission IR is the limited path length into the sample, because ATR-IR avoids the problem of strong attenuation of the IR signal in highly absorbing media such as aqueous solutions.",
"URL": "https://chem.libretexts.org/Bookshelves/Analytical_Chemistry/Supplemental_Modules_(Analytical_Chemistry)/Instrumental_Analysis/Spectrometer/ATR-FTIR",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 162,
"Name": "Instrument Name",
"Value": {
"StringWithMarkup": [
{
"String": "Bio-Rad FTS"
}
]
}
},
{
"ReferenceNumber": 162,
"Name": "Technique",
"Value": {
"StringWithMarkup": [
{
"String": "ATR-Neat (DuraSamplIR II)"
}
]
}
},
{
"ReferenceNumber": 162,
"Name": "Source of Spectrum",
"Value": {
"StringWithMarkup": [
{
"String": "Forensic Spectral Research"
}
]
}
},
{
"ReferenceNumber": 162,
"Name": "Source of Sample",
"Value": {
"StringWithMarkup": [
{
"String": "Sigma-Aldrich Inc."
}
]
}
},
{
"ReferenceNumber": 162,
"Name": "Catalog Number",
"Value": {
"StringWithMarkup": [
{
"String": "A3160-1VL"
}
]
}
},
{
"ReferenceNumber": 162,
"Name": "Lot Number",
"Value": {
"StringWithMarkup": [
{
"String": "108K8711(traceable to USP 32 Lot H)"
}
]
}
},
{
"ReferenceNumber": 162,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 162,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/sh7fpULnLp",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4686305_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 170,
"Name": "Source of Sample",
"Value": {
"StringWithMarkup": [
{
"String": "Aldrich"
}
]
}
},
{
"ReferenceNumber": 170,
"Name": "Catalog Number",
"Value": {
"StringWithMarkup": [
{
"String": "132926"
}
]
}
},
{
"ReferenceNumber": 170,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 170,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/5CDlGcqw64z",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/9917695_1"
],
"MimeType": "image/png"
}
}
]
}
]
},
{
"TOCHeading": "Raman Spectra",
"Description": "Raman spectroscopy is a spectroscopic technique typically used to study vibrational modes of a molecular system, although it can also be used to observe rotational and other low-frequency modes of the system. Raman spectroscopy is based on inelastic scattering of photons, known as Raman scattering.",
"URL": "https://chem.libretexts.org/Bookshelves/Analytical_Chemistry/Map%3A_Principles_of_Instrumental_Analysis_(Skoog_et_al.)/18%3A_Raman_Spectroscopy",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1347"
],
"Value": {
"StringWithMarkup": [
{
"String": "Raman: 417 (Sadtler Research Laboratories Spectral Collection)"
}
]
}
},
{
"ReferenceNumber": 166,
"Name": "Technique",
"Value": {
"StringWithMarkup": [
{
"String": "FT-Raman"
}
]
}
},
{
"ReferenceNumber": 166,
"Name": "Source of Spectrum",
"Value": {
"StringWithMarkup": [
{
"String": "Forensic Spectral Research"
}
]
}
},
{
"ReferenceNumber": 166,
"Name": "Source of Sample",
"Value": {
"StringWithMarkup": [
{
"String": "Sigma-Aldrich Inc."
}
]
}
},
{
"ReferenceNumber": 166,
"Name": "Catalog Number",
"Value": {
"StringWithMarkup": [
{
"String": "A3160"
}
]
}
},
{
"ReferenceNumber": 166,
"Name": "Lot Number",
"Value": {
"StringWithMarkup": [
{
"String": "108K8711(traceable to USP 32 Lot H)"
}
]
}
},
{
"ReferenceNumber": 166,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 166,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/7ZdLb5TGbEA",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4686310_1"
],
"MimeType": "image/png"
}
},
{
"ReferenceNumber": 171,
"Name": "Catalog Number",
"Value": {
"StringWithMarkup": [
{
"String": "132926"
}
]
}
},
{
"ReferenceNumber": 171,
"Name": "Copyright",
"Value": {
"StringWithMarkup": [
{
"String": "Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved."
}
]
}
},
{
"ReferenceNumber": 171,
"Name": "Thumbnail",
"URL": "https://spectrabase.com/spectrum/ArwxdIQlxna",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/9917696_1"
],
"MimeType": "image/png"
}
}
]
},
{
"TOCHeading": "Other Spectra",
"Description": "Spectral information for this compound that is not shown in other sections.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Pfleger, K., H. Maurer and A. Weber. Mass Spectral and GC Data of Drugs, Poisons and their Metabolites. Parts I and II. Mass Spectra Indexes. Weinheim, Federal Republic of Germany. 1985., p. 256"
],
"Value": {
"StringWithMarkup": [
{
"String": "Intense mass spectral peaks: 92 m/z, 120 m/z, 138 m/z, 180 m/z"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Related Records",
"Description": "Records related to this compound. This includes PubChem compound and substance records, as well as records in NCBI resources (e.g., PubMed, Gene, Protein Structure, and Taxonomy) and other databases external to NCBI.",
"Section": [
{
"TOCHeading": "Related Compounds with Annotation",
"Description": "Compound records that are closely related to this record AND that have biomedical annotations. In essence, they are a subset of the compounds included in the \"Related Compounds\" section below this section. The \"Related Compounds\" include the parent, components, mixtures, and salt forms of this compound record as well as the \"similar compounds\" and \"similar conformers\", which are structurally similar to this record in terms of 2-D and 3-D chemical structure similarity measures, respectively, as explained in Kim et al., J. Cheminform. 2016, 8, 62.",
"URL": "https://doi.org/10.1186/s13321-016-0163-1",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"Boolean": [
true
]
}
}
]
},
{
"TOCHeading": "Related Compounds",
"Description": "Compound records closely related to this record. It includes compounds which are the parent, components, mixtures, and salt forms of this compound record. It also includes the \"similar compounds\" and \"similar conformers\", which are structurally similar to this record in terms of 2-D and 3-D chemical structure similarity measures, respectively, as explained in Kim et al., J. Cheminform. 2016, 8, 62.",
"URL": "https://doi.org/10.1186/s13321-016-0163-1",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 1
},
"Information": [
{
"ReferenceNumber": 210,
"Name": "Same Connectivity Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/JSON?cids_type=same_connectivity&list_return=redirect",
"Value": {
"Number": [
14
]
}
},
{
"ReferenceNumber": 210,
"Name": "Same Parent, Connectivity Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/JSON?cids_type=same_parent_connectivity&list_return=redirect",
"Value": {
"Number": [
164
]
}
},
{
"ReferenceNumber": 210,
"Name": "Same Parent, Exact Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/JSON?cids_type=same_parent&list_return=redirect",
"Value": {
"Number": [
151
]
}
},
{
"ReferenceNumber": 210,
"Name": "Mixtures, Components, and Neutralized Forms Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/JSON?cids_type=component&list_return=redirect",
"Value": {
"Number": [
954
]
}
},
{
"ReferenceNumber": 210,
"Name": "Similar Compounds Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/JSON?cids_type=similar_2d&list_return=redirect",
"Value": {
"Number": [
4877
]
}
},
{
"ReferenceNumber": 210,
"Name": "Similar Conformers Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/JSON?cids_type=similar_3d&list_return=redirect",
"Value": {
"Number": [
9768
]
}
}
]
},
{
"TOCHeading": "Substances",
"Description": "Substance records associated with this compound. In PubChem, the term \"substance\" refers to depositor-provided data for a chemical..",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/substances",
"Section": [
{
"TOCHeading": "PubChem Reference Collection SID",
"Description": "Substances from the special PubChem Reference Collection associated with this compound.",
"DisplayControls": {
"MoveToTop": true
},
"Information": [
{
"ReferenceNumber": 210,
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/481101427",
"Value": {
"Number": [
481101427
]
}
}
]
},
{
"TOCHeading": "Related Substances",
"Description": "Substance records related to this compound (e.g., the standardized chemical structures of these substances are the same as this compound or correspond to a mixture containing this compound as a component).",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 1
},
"Information": [
{
"ReferenceNumber": 210,
"Name": "All Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/sids/JSON?sids_type=all&list_return=redirect",
"Value": {
"Number": [
2914
]
}
},
{
"ReferenceNumber": 210,
"Name": "Same Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/sids/JSON?sids_type=standardized&list_return=redirect",
"Value": {
"Number": [
400
]
}
},
{
"ReferenceNumber": 210,
"Name": "Mixture Count",
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/sids/JSON?sids_type=component&list_return=redirect",
"Value": {
"Number": [
2514
]
}
}
]
},
{
"TOCHeading": "Substances by Category",
"Description": "Substances associated with this compound, grouped by the category of the data sources who submitted the substances to PubChem (e.g., government organizations, chemical vendors, research and development, curation efforts, NIH initiatives, etc.).",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"StringWithMarkup": [
{
"String": "Chemical Vendors"
},
{
"String": "Curation Efforts"
},
{
"String": "Governmental Organizations"
},
{
"String": "Journal Publishers"
},
{
"String": "Legacy Depositors"
},
{
"String": "NIH Initiatives"
},
{
"String": "Research and Development"
},
{
"String": "Subscription Services"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Other Relationships",
"Description": "Other types of related records, such as alternative forms, monomers or polymers, components of important mixtures, etc. In this table, the relationship is in parentheses, and the implied grammar is \"the compound summarized on this page ... has this relationship to ... this item in the table.\"",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"StringWithMarkup": [
{
"String": "Acetaminophen; Aspirin; Caffeine (component of)",
"Markup": [
{
"Start": 0,
"Length": 32,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetaminophen%3B%20Aspirin%3B%20Caffeine"
}
]
},
{
"String": "Aspirin; caffeine; orphenadrine citrate (component of)",
"Markup": [
{
"Start": 0,
"Length": 39,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20caffeine%3B%20orphenadrine%20citrate"
}
]
},
{
"String": "Aspirin; Dipyridamole (component of)",
"Markup": [
{
"Start": 0,
"Length": 21,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Dipyridamole"
}
]
},
{
"String": "Aspirin; meprobamate (component of)",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20meprobamate"
}
]
},
{
"String": "Aspirin; caffeine; propoxyphene hydrochloride (component of)",
"Markup": [
{
"Start": 0,
"Length": 45,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20caffeine%3B%20propoxyphene%20hydrochloride"
}
]
},
{
"String": "Aspirin; Butalbital; Caffeine (component of)",
"Markup": [
{
"Start": 0,
"Length": 29,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Butalbital%3B%20Caffeine"
}
]
},
{
"String": "Aspirin; hydrocodone bitartrate (component of)",
"Markup": [
{
"Start": 0,
"Length": 31,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20hydrocodone%20bitartrate"
}
]
},
{
"String": "Aspirin; Butalbital; Caffeine; Codeine Phosphate (component of)",
"Markup": [
{
"Start": 0,
"Length": 48,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Butalbital%3B%20Caffeine%3B%20Codeine%20Phosphate"
}
]
},
{
"String": "Acetaminophen; aspirin; codeine phosphate (component of)",
"Markup": [
{
"Start": 0,
"Length": 41,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetaminophen%3B%20aspirin%3B%20codeine%20phosphate"
}
]
},
{
"String": "Aspirin; Omeprazole (component of)",
"Markup": [
{
"Start": 0,
"Length": 19,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Omeprazole"
}
]
},
{
"String": "Aspirin; Oxycodone Hydrochloride; Oxycodone Terephthalate (component of)",
"Markup": [
{
"Start": 0,
"Length": 57,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Oxycodone%20Hydrochloride%3B%20Oxycodone%20Terephthalate"
}
]
},
{
"String": "Aspirin; carisoprodol (component of)",
"Markup": [
{
"Start": 0,
"Length": 21,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20carisoprodol"
}
]
},
{
"String": "Aspirin; Caffeine; Dihydrocodeine Bitartrate (component of)",
"Markup": [
{
"Start": 0,
"Length": 44,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Caffeine%3B%20Dihydrocodeine%20Bitartrate"
}
]
},
{
"String": "Aspirin; butalbital (component of)",
"Markup": [
{
"Start": 0,
"Length": 19,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20butalbital"
}
]
},
{
"String": "Aspirin; menthol (component of)",
"Markup": [
{
"Start": 0,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20menthol"
}
]
},
{
"String": "Aspirin; methocarbamol (component of)",
"Markup": [
{
"Start": 0,
"Length": 22,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20methocarbamol"
}
]
},
{
"String": "Acetaminophen; aspirin; salicylamide (component of)",
"Markup": [
{
"Start": 0,
"Length": 36,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetaminophen%3B%20aspirin%3B%20salicylamide"
}
]
},
{
"String": "Acetaminophen; aspirin; diphenhydramine citrate (component of)",
"Markup": [
{
"Start": 0,
"Length": 47,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetaminophen%3B%20aspirin%3B%20diphenhydramine%20citrate"
}
]
},
{
"String": "ASPIRIN; Chlorpheniramine maleate; Phenylephrine Bitartrate (component of)",
"Markup": [
{
"Start": 0,
"Length": 59,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN%3B%20Chlorpheniramine%20maleate%3B%20Phenylephrine%20Bitartrate"
}
]
},
{
"String": "Aspirin; pravastatin sodium (component of)",
"Markup": [
{
"Start": 0,
"Length": 27,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20pravastatin%20sodium"
}
]
},
{
"String": "Acetaminophen; aspirin (component of)",
"Markup": [
{
"Start": 0,
"Length": 22,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetaminophen%3B%20aspirin"
}
]
},
{
"String": "Aspirin; carisoprodol; codeine phosphate (component of)",
"Markup": [
{
"Start": 0,
"Length": 40,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20carisoprodol%3B%20codeine%20phosphate"
}
]
},
{
"String": "Aspirin; pentazocine hydrochloride (component of)",
"Markup": [
{
"Start": 0,
"Length": 34,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20pentazocine%20hydrochloride"
}
]
},
{
"String": "Aspirin; propoxyphene hydrochloride (component of)",
"Markup": [
{
"Start": 0,
"Length": 35,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20propoxyphene%20hydrochloride"
}
]
},
{
"String": "Aspirin; propoxyphene napsylate (component of)",
"Markup": [
{
"Start": 0,
"Length": 31,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20propoxyphene%20napsylate"
}
]
},
{
"String": "Aspirin; Oxycodone Hydrochloride (component of)",
"Markup": [
{
"Start": 0,
"Length": 32,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Oxycodone%20Hydrochloride"
}
]
},
{
"String": "Aspirin; magnesium oxide (component of)",
"Markup": [
{
"Start": 0,
"Length": 24,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20magnesium%20oxide"
}
]
},
{
"String": "Acetylsalicylic Acid; Methylprednisolone (component of)",
"Markup": [
{
"Start": 0,
"Length": 40,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20Acid%3B%20Methylprednisolone"
}
]
},
{
"String": "Acetaminophen; aspirin; caffeine; salicylamide (component of)",
"Markup": [
{
"Start": 0,
"Length": 46,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetaminophen%3B%20aspirin%3B%20caffeine%3B%20salicylamide"
}
]
},
{
"String": "Aspirin; Citric Acid Monohydrate; Sodium Bicarbonate (component of)",
"Markup": [
{
"Start": 0,
"Length": 52,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin%3B%20Citric%20Acid%20Monohydrate%3B%20Sodium%20Bicarbonate"
}
]
},
{
"String": "Acetic acid; aluminum oxide; arsenic trioxide; aspirin; borage; ceanothus americanus leaf; chelidonium majus; chionanthus virginicus bark; chloramphenicol; chlorpromazine; cholesterol; cod liver oil; corticotropin human; cortisone acetate; estrone; fumaric acid; kerosene; lead; lycopodium clavatum spore; phenacetin; phosphoric acid; phosphorus; potassium iodide; silicon dioxide; sodium sulfate; strychnos nux-vomica seed; sucrose; taraxacum officinale; thyroid, unspecified; turnera diffusa leafy twig (component of)",
"Markup": [
{
"Start": 0,
"Length": 504,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetic%20acid%3B%20aluminum%20oxide%3B%20arsenic%20trioxide%3B%20aspirin%3B%20borage%3B%20ceanothus%20americanus%20leaf%3B%20chelidonium%20majus%3B%20chionanthus%20virginicus%20bark%3B%20chloramphenicol%3B%20chlorpromazine%3B%20cholesterol%3B%20cod%20liver%20oil%3B%20corticotropin%20human%3B%20cortisone%20acetate%3B%20estrone%3B%20fumaric%20acid%3B%20kerosene%3B%20lead%3B%20lycopodium%20clavatum%20spore%3B%20phenacetin%3B%20phosphoric%20acid%3B%20phosphorus%3B%20potassium%20iodide%3B%20silicon%20dioxide%3B%20sodium%20sulfate%3B%20strychnos%20nux%2Dvomica%20seed%3B%20sucrose%3B%20taraxacum%20officinale%3B%20thyroid%2C%20unspecified%3B%20turnera%20diffusa%20leafy%20twig"
}
]
},
{
"String": "Acetic acid; arsenic trioxide; aspirin; benzoic acid; benzyl alcohol; boric acid; chlorine; corticotropin; cortisone acetate; estrone; eugenol; glycerin; insulin pork; isopropyl palmitate; kerosene; lactic acid, DL-; lead; lithium carbonate; nitric acid; nitroglycerin; petrolatum; phenylbutazone; phosphoric acid; phosphorus; phytolacca americana root; potassium sorbate; resorcinol; salicylic acid; sorbitol; stearyl alcohol; strychnos nux-vomica seed; sus scrofa thyroid; taraxacum officinale; xylitol (component of)",
"Markup": [
{
"Start": 0,
"Length": 504,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetic%20acid%3B%20arsenic%20trioxide%3B%20aspirin%3B%20benzoic%20acid%3B%20benzyl%20alcohol%3B%20boric%20acid%3B%20chlorine%3B%20corticotropin%3B%20cortisone%20acetate%3B%20estrone%3B%20eugenol%3B%20glycerin%3B%20insulin%20pork%3B%20isopropyl%20palmitate%3B%20kerosene%3B%20lactic%20acid%2C%20DL%2D%3B%20lead%3B%20lithium%20carbonate%3B%20nitric%20acid%3B%20nitroglycerin%3B%20petrolatum%3B%20phenylbutazone%3B%20phosphoric%20acid%3B%20phosphorus%3B%20phytolacca%20americana%20root%3B%20potassium%20sorbate%3B%20resorcinol%3B%20salicylic%20acid%3B%20sorbitol%3B%20stearyl%20alcohol%3B%20strychnos%20nux%2Dvomica%20seed%3B%20sus%20scrofa%20thyroid%3B%20taraxacum%20officinale%3B%20xylitol"
}
]
},
{
"String": "Adenosine triphosphate disodium; anthraquinone; ascorbic acid; aspirin; bilberry; colchicum autumnale bulb; conium maculatum flowering top; galium aparine; goldenseal; histamine dihydrochloride; hydroquinone; lactic acid, L-; magnesium gluconate; manganese phosphate, dibasic; nadide; naphthoquine; niacinamide; norepinephrine bitartrate; pantothenic acid; podophyllum; pyridoxine hydrochloride; riboflavin; salmonella enterica subsp. enterica serovar enteritidis; sodium diethyl oxalacetate; sulfur; thiamine hydrochloride; thioctic acid; ubidecarenone (component of)",
"Markup": [
{
"Start": 0,
"Length": 553,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Adenosine%20triphosphate%20disodium%3B%20anthraquinone%3B%20ascorbic%20acid%3B%20aspirin%3B%20bilberry%3B%20colchicum%20autumnale%20bulb%3B%20conium%20maculatum%20flowering%20top%3B%20galium%20aparine%3B%20goldenseal%3B%20histamine%20dihydrochloride%3B%20hydroquinone%3B%20lactic%20acid%2C%20L%2D%3B%20magnesium%20gluconate%3B%20manganese%20phosphate%2C%20dibasic%3B%20nadide%3B%20naphthoquine%3B%20niacinamide%3B%20norepinephrine%20bitartrate%3B%20pantothenic%20acid%3B%20podophyllum%3B%20pyridoxine%20hydrochloride%3B%20riboflavin%3B%20salmonella%20enterica%20subsp%2E%20enterica%20serovar%20enteritidis%3B%20sodium%20diethyl%20oxalacetate%3B%20sulfur%3B%20thiamine%20hydrochloride%3B%20thioctic%20acid%3B%20ubidecarenone"
}
]
},
{
"String": "1,4-Naphthoquinone; adenosine triphosphate disodium; ascorbic acid; aspirin; bacillus anthracis immunoserum rabbit; bilberry; colchicum autumnale bulb; conium maculatum flowering top; galium aparine; goldenseal; histamine dihydrochloride; hydroquinine; lactic acid, L-; magnesium gluconate; manganese phosphate, dibasic; nadide; niacinamide; norepinephrine; pantothenic acid; podophyllum; pyridoxine hydrochloride; riboflavin; salmonella enterica subsp. enterica serovar enteritidis; sodium diethyl oxalacetate; sulfur; thiamine hydrochloride; thioctic acid; ubidecarenone (component of)",
"Markup": [
{
"Start": 0,
"Length": 572,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/1%2C4%2DNaphthoquinone%3B%20adenosine%20triphosphate%20disodium%3B%20ascorbic%20acid%3B%20aspirin%3B%20bacillus%20anthracis%20immunoserum%20rabbit%3B%20bilberry%3B%20colchicum%20autumnale%20bulb%3B%20conium%20maculatum%20flowering%20top%3B%20galium%20aparine%3B%20goldenseal%3B%20histamine%20dihydrochloride%3B%20hydroquinine%3B%20lactic%20acid%2C%20L%2D%3B%20magnesium%20gluconate%3B%20manganese%20phosphate%2C%20dibasic%3B%20nadide%3B%20niacinamide%3B%20norepinephrine%3B%20pantothenic%20acid%3B%20podophyllum%3B%20pyridoxine%20hydrochloride%3B%20riboflavin%3B%20salmonella%20enterica%20subsp%2E%20enterica%20serovar%20enteritidis%3B%20sodium%20diethyl%20oxalacetate%3B%20sulfur%3B%20thiamine%20hydrochloride%3B%20thioctic%20acid%3B%20ubidecarenone"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Entrez Crosslinks",
"Description": "Cross-references to associated records in other Entrez databases such as PubMed, Gene, Protein, etc.",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 1
},
"Information": [
{
"ReferenceNumber": 210,
"Name": "PubMed Count",
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_pubmed&db=pccompound&cmd=Link&from_uid=2244",
"Value": {
"Number": [
26449
]
}
},
{
"ReferenceNumber": 210,
"Name": "Protein Structures Count",
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_structure&db=pccompound&cmd=Link&from_uid=2244",
"Value": {
"Number": [
8
]
}
},
{
"ReferenceNumber": 210,
"Name": "Taxonomy Count",
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_taxonomy&db=pccompound&cmd=Link&from_uid=2244",
"Value": {
"Number": [
9
]
}
},
{
"ReferenceNumber": 210,
"Name": "OMIM Count",
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_omim&db=pccompound&cmd=Link&from_uid=2244",
"Value": {
"Number": [
82
]
}
},
{
"ReferenceNumber": 210,
"Name": "Gene Count",
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_gene&db=pccompound&cmd=Link&from_uid=2244",
"Value": {
"Number": [
797
]
}
}
]
},
{
"TOCHeading": "NCBI LinkOut",
"Description": "NCBI LinkOut is a service that allows one to link directly from NCBI databases to a wide range of information and services beyond NCBI systems.",
"URL": "https://www.ncbi.nlm.nih.gov/projects/linkout/",
"Information": [
{
"ReferenceNumber": 247,
"Value": {
"Boolean": [
true
]
}
}
]
}
]
},
{
"TOCHeading": "Chemical Vendors",
"Description": "A list of chemical vendors that sell this compound. Note that the order of chemical vendors on the list is randomized, and that PubChem do not endorse any of the vendors. Each vendor may have multiple products containing the same chemical, but different in various aspects, such as amount and purity. For each product, the external identifier used to locate the product on the vendor's website is provided under the Purchasable Chemical column, and clicking this identifier directs you to the vendor's website. The information on the product provided by the vendor to PubChem can be accessed at the Summary page of the corresponding PubChem Substance ID (SID). ",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"Boolean": [
true
]
}
}
]
},
{
"TOCHeading": "Drug and Medication Information",
"Description": "This section provides drug and medication information for this compound, including drug indications, labeling, clinical trials, idiosyncrasies, tolerance, reported fatal doses, etc.",
"Section": [
{
"TOCHeading": "Drug Indication",
"Description": "A drug indication refers to any valid reason (e.g., signs/symptoms or diseases/disorders) to use a certain drug. Many indications are label indications, approved by a regulatory agency (e.g., the U.S. Food and Drug Administration or European Medical Agency), meaning that the manufacturer is allowed to market the drug for the approved indications. However, some indications are not approved, and therefore, they are called off-label indications. This section may include both label indications and off-label indications.",
"DisplayControls": {
"ShowAtMost": 3
},
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "**Pain, fever, and inflammation** Acetylsalicylic acid (ASA), in the regular tablet form (immediate-release), is indicated to relieve pain, fever, and inflammation associated with many conditions, including the flu, the common cold, neck and back pain, dysmenorrhea, headache, tooth pain, sprains, fractures, myositis, neuralgia, synovitis, arthritis, bursitis, burns, and various injuries. It is also used for symptomatic pain relief after surgical and dental procedures. The _extra strength_ formulation of acetylsalicylic acid is also indicated for the management migraine pain with photophobia (sensitivity to light) and phonophobia (sensitivity to sound). **Other indications** ASA is also indicated for various other purposes, due to its ability to inhibit platelet aggregation. These include: Reducing the risk of cardiovascular death in suspected cases of myocardial infarction (MI). Reducing the risk of a first non-fatal myocardial infarction in patients, and for reducing the risk of morbidity and mortality in cases of unstable angina and in those who have had a prior myocardial infarction. For reducing the risk of transient ischemic attacks (TIA) and to prevent atherothrombotic cerebral infarction (in conjunction with other treatments). For the prevention of thromboembolism after hip replacement surgery. For decreasing platelet to platelet adhesion following carotid endarterectomy, aiding in the prevention of transient ischemic attacks (TIA). Used for patients undergoing hemodialysis with a silicone rubber arteriovenous cannula inserted to prevent thrombosis at the insertion site. **Important note regarding use of the extended-release formulation** In the setting of acute myocardial infarction, or before percutaneous interventions, the extended-release form of acetylsalicylic acid should not be used. Use immediate-release formulations in scenarios requiring rapid onset of action. The extended-release form is taken to decrease the incidence of mortality and myocardial infarction (MI) for individuals diagnosed with chronic coronary artery disease (CAD), including patients with previous myocardial infarction (MI) or unstable angina or with chronic stable angina. Additionally, the extended-release form is used to decrease the risk of death and recurrent episodes of stroke in patients with a history of stroke or TIA.",
"Markup": [
{
"Start": 35,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 512,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1805,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 32,
"URL": "http://s3-us-west-2.amazonaws.com/drugbank/fda_labels/DB00945.pdf?1555434420",
"Value": {
"StringWithMarkup": [
{
"String": "FDA Label"
}
]
}
}
]
},
{
"TOCHeading": "LiverTox Summary",
"Description": "Summary of liver toxicity for this compound, provided by LiverTox. This section provides an overview of drug induced liver injury, diagnostic criteria, assessment of causality and severity, descriptions of different clinical patterns (phenotypes), information on management and treatment, and standardized nomenclature. The role of liver biopsy and major histological patterns of drug induced liver disease are also given.",
"URL": "https://www.ncbi.nlm.nih.gov/books/NBK547852/",
"Information": [
{
"ReferenceNumber": 81,
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin or acetylsalicylic acid is perhaps the most commonly used analgesic and antipyretic medication worldwide, having been in clinical use for over 100 years. Aspirin can cause several forms of liver injury: in high doses, aspirin can cause moderate to marked serum aminotransferase elevations occasionally with jaundice or signs of liver dysfunction, and in lower doses in susceptible children with a febrile illness aspirin can lead to Reye syndrome.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 11,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 162,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 226,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 421,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Drug Classes",
"Description": "Drug classes of this compound, based on its therapeutic uses and/or structure. The data presented in this section is from LiverTox.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/15404",
"Information": [
{
"ReferenceNumber": 81,
"Value": {
"StringWithMarkup": [
{
"String": "Antithrombotic Agents, Antiinflammatory Agents, Salicylates"
}
]
}
}
]
},
{
"TOCHeading": "WHO Essential Medicines",
"Description": "The WHO Essential Medicines present a list of minimum medicine needs for a basic health-care system, listing the most efficacious, safe and cost-effective medicines for priority conditions.",
"URL": "https://www.who.int/groups/expert-committee-on-selection-and-use-of-essential-medicines/essential-medicines-lists",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 4,
"ColumnsFromNamedLists": {
"Name": [
"Drug",
"Drug Classes",
"Formulation",
"Indication"
],
"UseNamesAsColumnHeadings": true
}
},
"ShowAtMost": 3
},
"Information": [
{
"ReferenceNumber": 203,
"Name": "Drug",
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://list.essentialmeds.org/medicines/13"
}
]
},
{
"String": "Acetylsalicylic acid",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://list.essentialmeds.org/medicines/13"
}
]
},
{
"String": "Acetylsalicylic acid",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://list.essentialmeds.org/medicines/13"
}
]
},
{
"String": "Acetylsalicylic acid",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://list.essentialmeds.org/medicines/13"
}
]
}
]
}
},
{
"ReferenceNumber": 203,
"Name": "Drug Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Anti-platelet medicines"
},
{
"String": "Antimigraine medicines -> For treatment of acute attack"
},
{
"String": "Medicines for juvenile joint diseases"
},
{
"String": "Non-opioids and non-steroidal anti-inflammatory medicines (NSAIMs)"
}
]
}
},
{
"ReferenceNumber": 203,
"Name": "Formulation",
"Value": {
"StringWithMarkup": [
{
"String": "Oral - Solid: 100 mg"
},
{
"String": "Oral - Solid: 300 to 500 mg"
},
{
"String": "(1) Oral - Solid: 100 to 500 mg; (2) Local - Rectal - Suppository: 50 to 150 mg"
},
{
"String": "(1) Oral - Solid: 100 to 500 mg; (2) Local - Rectal - Suppository: 50 to 150 mg"
}
]
}
},
{
"ReferenceNumber": 203,
"Name": "Indication",
"Value": {
"StringWithMarkup": [
{
"String": "(1) Acute myocardial infarction [co-prescribed with B01AC06]; (2) Cerebral ischaemic stroke [co-prescribed with B01AC06]"
},
{
"String": "Migraine [co-prescribed with N02BA01]"
},
{
"String": "(1) Mucocutaneous lymph node syndrome [co-prescribed with N02BA01]; (2) Acute rheumatic fever without mention of heart involvement [co-prescribed with N02BA01]; (3) Juvenile idiopathic arthritis [co-prescribed with N02BA01]"
},
{
"String": "Pain [co-prescribed with N02BA01]"
}
]
}
}
]
},
{
"TOCHeading": "FDA Approved Drugs",
"Description": "Drugs@FDA includes information about approved drugs and biological products for human use in the United States.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/about-drugsfda",
"Information": [
{
"ReferenceNumber": 34,
"Value": {
"ExternalTableName": "collection=fdadrug&query_type=synonym&query='^ASPIRIN$'"
}
}
]
},
{
"TOCHeading": "FDA Orange Book",
"Description": "The Orange Book identifies drug products approved on the basis of safety and effectiveness by the U.S. Food and Drug Administration (FDA) under the Federal Food, Drug, and Cosmetic Act and and related patent and exclusivity information.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/approved-drug-products-therapeutic-equivalence-evaluations-orange-book",
"Information": [
{
"ReferenceNumber": 53,
"Value": {
"ExternalTableName": "collection=fdaorangebook&query_type=synonym&query='^ASPIRIN$'"
}
}
]
},
{
"TOCHeading": "FDA National Drug Code Directory",
"Description": "The National Drug Code (NDC) is a unique product identifier in three-segment number used in the United States for human drugs (the Drug Listing Act of 1972).",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"Information": [
{
"ReferenceNumber": 121,
"Value": {
"ExternalTableName": "collection=fdandc&query_type=synonym&query='^ASPIRIN$'"
}
}
]
},
{
"TOCHeading": "FDA Green Book",
"Description": "The FDA Green Book lists most of FDA-approved animal drug products, along with associated patents and market exclusivity information.",
"URL": "https://www.fda.gov/animal-veterinary/products/approved-animal-drug-products-green-book",
"Information": [
{
"ReferenceNumber": 51,
"Value": {
"ExternalTableName": "collection=fdagreen&query_type=synonym&query='^Aspirin$'"
}
}
]
},
{
"TOCHeading": "Drug Labels",
"Description": "This section provides the drug labeling information for drug products associated with this compound. This information is from The National Library of Medicine (NLM)'s DailyMed, which provides the most recent labeling submitted to the Food and Drug Administration (FDA) by companies and currently in use (i.e., \"in use\" labeling). DailyMed contains labeling for prescription and nonprescription drugs for human and animal use, and for additional products such as medical gases, devices, cosmetics, dietary supplements, and medical foods.",
"URL": "https://dailymed.nlm.nih.gov/dailymed/",
"Information": [
{
"ReferenceNumber": 29,
"Name": "Drug and label",
"Value": {
"ExternalTableName": "collection=dailymed&query_type=synonym&query='^ASPIRIN$'"
}
},
{
"ReferenceNumber": 29,
"Name": "Active ingredient and drug",
"Value": {
"ExternalTableName": "collection=dailymed_i&query_type=synonym&query='^ASPIRIN$'"
}
}
]
},
{
"TOCHeading": "Clinical Trials",
"Description": "Clinical trials are research studies performed in people to evaluate a medical, surgical, or behavioral intervention. They are the primary way that researchers find out if a new treatment (e.g., a drug or diet) or medical device (e.g., a pacemaker) is safe and effective in people. This section provides information on clinical trials for this chemical.",
"Section": [
{
"TOCHeading": "ClinicalTrials.gov",
"Description": "Brief clinical trials summary from ClinicalTrials.gov at the U.S. National Library of Medicine.",
"URL": "http://clinicaltrials.gov/",
"Information": [
{
"ReferenceNumber": 13,
"Name": "ClinicalTrials.gov",
"Value": {
"ExternalTableName": "clinicaltrials",
"ExternalTableNumRows": 849
}
}
]
},
{
"TOCHeading": "EU Clinical Trials Register",
"Description": "Brief clinical trials summary from the EU Clinical Trials Register.",
"URL": "https://www.clinicaltrialsregister.eu/",
"Information": [
{
"ReferenceNumber": 47,
"Name": "EU Clinical Trials Register",
"Value": {
"ExternalTableName": "clinicaltrials_eu",
"ExternalTableNumRows": 200
}
}
]
},
{
"TOCHeading": "NIPH Clinical Trials Search of Japan",
"Description": "Brief clinical trials summary from the NIPH Clinical Trials Search of Japan, which allows one to cross-search four national clinical research information registries in Japan: the Japan Registry of Clinical Trials (JRCT), the University Hospital Medical Information Network Center (UMIN-CTR), the Japan Pharmaceutical Information Center (JAPIC), and the Japan Medical Association Center for Clinical Trials (JMACCT).",
"URL": "https://rctportal.niph.go.jp/en/",
"Information": [
{
"ReferenceNumber": 142,
"Name": "NIPH Clinical Trials Search of Japan",
"Value": {
"ExternalTableName": "clinicaltrials_jp",
"ExternalTableNumRows": 95
}
}
]
}
]
},
{
"TOCHeading": "Therapeutic Uses",
"Description": "Therapeutic uses information for this compound, provided by the Hazardous Substances Data Bank (HSDB).",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"National Library of Medicine's Medical Subject Headings online file (MeSH, 1999)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Fibrinolytic Agents; Platelet Aggregation Inhibitors"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2574"
],
"Value": {
"StringWithMarkup": [
{
"String": "Salicylates are indicated to relieve myalgia, musculoskeletal pain, and other symptoms of nonrheumatic inflammatory conditions such as athletic injuries, bursitis, capsulitis, tendinitis, and nonspecific acute tenosynovitis. /Included in US product labeling/"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2574"
],
"Value": {
"StringWithMarkup": [
{
"String": "Salicylates are indicated for the symptomatic relief of acute and chronic rheumatoid arthritis, juvenile arthritis, osteoarthritis, and related rheumatic diseases. Aspirin is usually the first agent to be used and may be the drug of choice in patients able to tolerate prolonged therapy with high doses. These agents do not affect the progressive course of rheumatoid arthritis. Concurrent treatment with a glucocorticoid or a disease-modifying antirheumatic agent may be needed, depending on the condition being treated and patient response. /Included in US product labeling/",
"Markup": [
{
"Start": 164,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2574"
],
"Value": {
"StringWithMarkup": [
{
"String": "Salicylates are also used to reduce arthritic complications associated with systemic lupus erythematosus. /Salicylates; NOT included in US product labeling/"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Therapeutic Uses (Complete) data for ACETYLSALICYLIC ACID (12 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 96,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Therapeutic-Uses-(Complete)"
},
{
"Start": 46,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Drug Warnings",
"Description": "Drug warnings information collected by the Hazardous Substances Data Bank (HSDB) from various sources, including US Pharmacopeia (USP), physicians desk references, MSDS, etc.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin use may be associated with the development of Reye's syndrome in children and teenagers with acute febrile illnesses, especially influenza and varicella. It is recommended that salicylate therapy not be initiated in febrile pediatric or adolescent patients until after the presence of such an illness has been ruled out. Also, it is recommended that chronic salicylate therapy in these patients be discontinued if a fever occurs, and not resumed until it has been determined that an illness that may predispose to Reye's syndrome is not present or has run its course. Other forms of salicylate toxicity may also be more prevalent in pediatric patients, especially children who have a fever or are dehydrated.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 185,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 366,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 591,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "Especially careful monitoring of the serum salicylate concentration is recommended in pediatric patients with Kawasaki disease. Absorption of aspirin is impaired during the early febrile stage of the disease; therapeutic anti-inflammatory plasma salicylate concentrations may be extremely difficult to achieve. Also, as the febrile stage passes, absorption is improved; salicylate toxicity may occur if dosage is not readjusted.",
"Markup": [
{
"Start": 43,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 142,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 246,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 370,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2578"
],
"Value": {
"StringWithMarkup": [
{
"String": "Requirements of Vitamin K may be increased in patients receiving high doses of salicylate. /Salicylate/",
"Markup": [
{
"Start": 79,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 92,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Gilman, A.G., T.W. Rall, A.S. Nies and P. Taylor (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 8th ed. New York, NY. Pergamon Press, 1990., p. 650"
],
"Value": {
"StringWithMarkup": [
{
"String": "IF RENAL FUNCTION IS COMPROMISED IN SALICYLATE INTOXICATION, POTASSIUM LOST FROM CELLS ACCUMULATES IN EXTRACELLULAR FLUID & POTASSIUM INTOXICATION MAY OCCUR.",
"Markup": [
{
"Start": 36,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/SALICYLATE",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 61,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Potassium",
"Type": "PubChem Internal Link",
"Extra": "Element-Potassium"
},
{
"Start": 124,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Potassium",
"Type": "PubChem Internal Link",
"Extra": "Element-Potassium"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Drug Warnings (Complete) data for ACETYLSALICYLIC ACID (21 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 93,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Drug-Warnings-(Complete)"
},
{
"Start": 43,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Drug Idiosyncrasies",
"Description": "An abnormal individual response to a drug causing an effect quite different from that expected. Idiosyncrasy is inherent in the person concerned and is usually due to a genetic anomaly. It may take the form of hypersensitivity so that the normal effect is produced by a dose which is a small fraction of the standard dose.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 1049"
],
"Value": {
"StringWithMarkup": [
{
"String": "... SOME PEOPLE MANIFEST IDIOSYNCRASY IN FORM OF ALLERGIC SENSITIVITY TO SALICYLATES, ESP ASPIRIN, & MAY SUFFER FROM SERIOUS IF NOT FATAL ASTHMA AFTER INGESTION OF SINGLE 0.3 G DOSE.",
"Markup": [
{
"Start": 90,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2007."
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin is a known respiratory and systemic allergen and can produce anaphylactic phenomena even after small doses.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2007."
],
"Value": {
"StringWithMarkup": [
{
"String": "An acute irritant to the gastric mucosa ... Ingestion of aspirin produce an increased tendency to bleed (increased clotting time) due to its interference with platelet aggregation. A normal, therapeutic dose ... 600 mg can produce these abnormalities for five days or longer. However, these toxic effects have also been demonstrated by ingestion of 150 mg, the smallest dose reported to have a pharmacologic effect.",
"Markup": [
{
"Start": 57,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Reported Fatal Dose",
"Description": "The fatal dose (also called lethal dose) is the amount of a chemical that is likely to cause death; it varies in relation to the type of animal and the route of administration. This section provides information on the fatal human dose from the Hazardous Substances Data Bank (HSDB).",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Reynolds, J.E.F., Prasad, A.B. (eds.) Martindale-The Extra Pharmacopoeia. 28th ed. London: The Pharmaceutical Press, 1982., p. 236"
],
"Value": {
"StringWithMarkup": [
{
"String": "The lethal dose of aspirin for an adult is probably in the region of 25 to 30 g but recovery has been achieved by appropriate treatment after the ingestion of twice or thrice this amount.",
"Markup": [
{
"Start": 19,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Maximum Drug Dose",
"Description": "The largest amount of drug that most patients can tolerate without severe side effects. ",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Reynolds, J.E.F., Prasad, A.B. (eds.) Martindale-The Extra Pharmacopoeia. 28th ed. London: The Pharmaceutical Press, 1982., p. 240"
],
"Value": {
"StringWithMarkup": [
{
"String": "The usual dose of aspirin as an analgesic and antipyretic is 0.3 to 1 g, which may be repeated every 4 hours according to clinical needs, up to a maximum of 4 g daily.",
"Markup": [
{
"Start": 18,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Pharmacology and Biochemistry",
"Description": "Pharmacology and biochemistry information related to this compound, including the pharmacodynamics, pharmacokinetics, metabolism, mechanism of action, biological half-life, biochemical reactions, and many others.",
"Section": [
{
"TOCHeading": "Pharmacodynamics",
"Description": "Pharmacodynamic information for this compound as a drug (i.e., what does this drug do to the body). Pharmacodynamics is the study of the biochemical, physiologic, and molecular effects of drugs on the body.",
"URL": "https://www.ncbi.nlm.nih.gov/books/NBK507791/",
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "**Effects on pain and fever** Acetylsalicylic acid disrupts the production of prostaglandins throughout the body by targeting cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). Prostaglandins are potent, irritating substances that have been shown to cause headaches and pain upon injection into humans. Prostaglandins increase the sensitivity of pain receptors and substances such as histamine and bradykinin. Through the disruption of the production and prevention of release of prostaglandins in inflammation, this drug may stop their action at pain receptors, preventing symptoms of pain. Acetylsalicylic acid is considered an antipyretic agent because of its ability to interfere with the production of brain prostaglandin E1. Prostaglandin E1 is known to be an extremely powerful fever-inducing agent. **Effects on platelet aggregation** The inhibition of platelet aggregation by ASA occurs because of its interference with thromboxane A2 in platelets, caused by COX-1 inhibition. Thromboxane A2 is an important lipid responsible for platelet aggregation, which can lead to clot formation and future risk of heart attack or stroke. **A note on cancer prevention** ASA has been studied in recent years to determine its effect on the prevention of various malignancies. In general, acetylsalicylic acid is involved in the interference of various cancer signaling pathways, sometimes inducing or upregulating tumor suppressor genes. Results of various studies suggest that there are beneficial effects of long-term ASA use in the prevention of several types of cancer, including stomach, colorectal, pancreatic, and liver cancers. Research is ongoing.",
"Markup": [
{
"Start": 31,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 390,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/histamine",
"Type": "PubChem Internal Link",
"Extra": "CID-774"
},
{
"Start": 404,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/bradykinin",
"Type": "PubChem Internal Link",
"Extra": "CID-439201"
},
{
"Start": 598,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 719,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostaglandin%20E1",
"Type": "PubChem Internal Link",
"Extra": "CID-5353401"
},
{
"Start": 737,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Prostaglandin%20E1",
"Type": "PubChem Internal Link",
"Extra": "CID-5353401"
},
{
"Start": 938,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/thromboxane%20A2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 995,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Thromboxane%20A2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 1297,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "MeSH Pharmacological Classification",
"Description": "Pharmacological action classes from the Medical Subject Headings (MeSH) thesaurus.",
"URL": "https://meshb.nlm.nih.gov/record/ui?ui=D020228",
"Information": [
{
"ReferenceNumber": 241,
"Name": "Anti-Inflammatory Agents, Non-Steroidal",
"Value": {
"StringWithMarkup": [
{
"String": "Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)",
"Markup": [
{
"Start": 525,
"Length": 67,
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?Db=pccompound&DbFrom=mesh&Cmd=Link&LinkName=mesh_pccompound&IdsFromResult=68000894"
}
]
}
]
}
},
{
"ReferenceNumber": 242,
"Name": "Antipyretics",
"Value": {
"StringWithMarkup": [
{
"String": "Drugs that are used to reduce body temperature in fever. (See all compounds classified as Antipyretics.)",
"Markup": [
{
"Start": 62,
"Length": 40,
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?Db=pccompound&DbFrom=mesh&Cmd=Link&LinkName=mesh_pccompound&IdsFromResult=68058633"
}
]
}
]
}
},
{
"ReferenceNumber": 243,
"Name": "Cyclooxygenase Inhibitors",
"Value": {
"StringWithMarkup": [
{
"String": "Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes. (See all compounds classified as Cyclooxygenase Inhibitors.)",
"Markup": [
{
"Start": 240,
"Length": 53,
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?Db=pccompound&DbFrom=mesh&Cmd=Link&LinkName=mesh_pccompound&IdsFromResult=68016861"
}
]
}
]
}
},
{
"ReferenceNumber": 244,
"Name": "Platelet Aggregation Inhibitors",
"Value": {
"StringWithMarkup": [
{
"String": "Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)",
"Markup": [
{
"Start": 263,
"Length": 59,
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?Db=pccompound&DbFrom=mesh&Cmd=Link&LinkName=mesh_pccompound&IdsFromResult=68010975"
}
]
}
]
}
},
{
"ReferenceNumber": 245,
"Name": "Fibrinolytic Agents",
"Value": {
"StringWithMarkup": [
{
"String": "Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)",
"Markup": [
{
"Start": 70,
"Length": 47,
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?Db=pccompound&DbFrom=mesh&Cmd=Link&LinkName=mesh_pccompound&IdsFromResult=68005343"
}
]
}
]
}
}
]
},
{
"TOCHeading": "FDA Pharmacological Classification",
"Description": "Pharmacologic Class is a group of active moieties that share scientifically documented properties and is defined on the basis of any combination of three attributes of the active moiety: mechanism of action (MOA), physiologic effect (PE) and chemical structure (CS). An FDA \"Established Pharmacologic Class\" (EPC) text phrase is a pharmacologic class associated with an approved indication of an active moiety that the FDA has determined to be scientifically valid and clinically meaningful.",
"URL": "https://www.fda.gov/industry/structured-product-labeling-resources/pharmacologic-class",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
}
},
"Information": [
{
"ReferenceNumber": 54,
"Name": "FDA UNII",
"Value": {
"StringWithMarkup": [
{
"String": "R16CO5Y76E"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "Active Moiety",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Mechanisms of Action [MoA] - Cyclooxygenase Inhibitors"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Physiologic Effects [PE] - Decreased Prostaglandin Production"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Chemical Structure [CS] - Anti-Inflammatory Agents, Non-Steroidal"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Established Pharmacologic Class [EPC] - Nonsteroidal Anti-inflammatory Drug"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Established Pharmacologic Class [EPC] - Platelet Aggregation Inhibitor"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Physiologic Effects [PE] - Decreased Platelet Aggregation"
}
]
}
},
{
"ReferenceNumber": 54,
"Name": "FDA Pharmacology Summary",
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin is a Nonsteroidal Anti-inflammatory Drug and Platelet Aggregation Inhibitor. The mechanism of action of aspirin is as a Cyclooxygenase Inhibitor. The physiologic effect of aspirin is by means of Decreased Prostaglandin Production and Decreased Platelet Aggregation.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 112,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 180,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 122,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ACETYLSALICYCLIC ACID"
}
]
}
},
{
"ReferenceNumber": 122,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 123,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ACETYLSALICYLIC ACID"
}
]
}
},
{
"ReferenceNumber": 123,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 124,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ALKA-SELTZER ORIGINAL FLAVOR",
"Markup": [
{
"Start": 0,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ALKA-SELTZER",
"Type": "PubChem Internal Link",
"Extra": "CID-23673598"
}
]
}
]
}
},
{
"ReferenceNumber": 124,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 125,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN"
}
]
}
},
{
"ReferenceNumber": 125,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 126,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN 325 MG"
}
]
}
},
{
"ReferenceNumber": 126,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 127,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN 325MG"
}
]
}
},
{
"ReferenceNumber": 127,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 128,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN 81 MG"
}
]
}
},
{
"ReferenceNumber": 128,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 129,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN 81 MG DELAYED RELEASE TABLETS",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 129,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 130,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN 81MG"
}
]
}
},
{
"ReferenceNumber": 130,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 131,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN ENTERIC COATED TABLETS 81 MG",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 131,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 132,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "ASPIRIN TABLET 325MG"
}
]
}
},
{
"ReferenceNumber": 132,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 133,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "BAYER ASPIRIN EXTRA STRENGTH",
"Markup": [
{
"Start": 6,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 133,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 134,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "BAYER GENUINE ASPIRIN"
}
]
}
},
{
"ReferenceNumber": 134,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 135,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "BUFFERED ASPIRIN, EFFERVESCENT TABLET",
"Markup": [
{
"Start": 9,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 135,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 136,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "REGULAR STRENGTH ENTERIC COATED ASPIRIN",
"Markup": [
{
"Start": 32,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 136,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
},
{
"ReferenceNumber": 137,
"Name": "Non-Proprietary Name",
"Value": {
"StringWithMarkup": [
{
"String": "BUFFERED ASPIRIN"
}
]
}
},
{
"ReferenceNumber": 137,
"Name": "Pharmacological Classes",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet Aggregation Inhibitor [EPC]; Decreased Prostaglandin Production [PE]; Decreased Platelet Aggregation [PE]; Anti-Inflammatory Agents, Non-Steroidal [CS]; Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]"
}
]
}
}
]
},
{
"TOCHeading": "ATC Code",
"Description": "The Anatomical Therapeutic Chemical (ATC) Classification System is used for the classification of drugs. This pharmaceutical coding system divides drugs into different groups according to the organ or system on which they act and/or their therapeutic and chemical characteristics. Each bottom-level ATC code stands for a pharmaceutically used substance, or a combination of substances, in a single indication (or use). This means that one drug can have more than one code: acetylsalicylic acid (aspirin), for example, has A01AD05 as a drug for local oral treatment, B01AC06 as a platelet inhibitor, and N02BA01 as an analgesic and antipyretic. On the other hand, several different brands share the same code if they have the same active substance and indications.",
"URL": "https://www.whocc.no/atc/structure_and_principles/",
"Information": [
{
"ReferenceNumber": 154,
"Reference": [
"S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355"
],
"URL": "https://www.whocc.no/atc_ddd_index/?code=N02BA01",
"Value": {
"StringWithMarkup": [
{
"String": "N02BA01"
}
]
}
},
{
"ReferenceNumber": 200,
"Value": {
"StringWithMarkup": [
{
"String": "N - Nervous system",
"Markup": [
{
"Start": 0,
"Length": 1,
"URL": "https://www.whocc.no/atc_ddd_index/?code=N"
}
]
},
{
"String": "N02 - Analgesics",
"Markup": [
{
"Start": 0,
"Length": 3,
"URL": "https://www.whocc.no/atc_ddd_index/?code=N02"
}
]
},
{
"String": "N02B - Other analgesics and antipyretics",
"Markup": [
{
"Start": 0,
"Length": 4,
"URL": "https://www.whocc.no/atc_ddd_index/?code=N02B"
}
]
},
{
"String": "N02BA - Salicylic acid and derivatives",
"Markup": [
{
"Start": 0,
"Length": 5,
"URL": "https://www.whocc.no/atc_ddd_index/?code=N02BA"
},
{
"Start": 8,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
}
]
},
{
"String": "N02BA01 - Acetylsalicylic acid",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://www.whocc.no/atc_ddd_index/?code=N02BA01"
},
{
"Start": 10,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 201,
"Value": {
"StringWithMarkup": [
{
"String": "A - Alimentary tract and metabolism",
"Markup": [
{
"Start": 0,
"Length": 1,
"URL": "https://www.whocc.no/atc_ddd_index/?code=A"
}
]
},
{
"String": "A01 - Stomatological preparations",
"Markup": [
{
"Start": 0,
"Length": 3,
"URL": "https://www.whocc.no/atc_ddd_index/?code=A01"
}
]
},
{
"String": "A01A - Stomatological preparations",
"Markup": [
{
"Start": 0,
"Length": 4,
"URL": "https://www.whocc.no/atc_ddd_index/?code=A01A"
}
]
},
{
"String": "A01AD - Other agents for local oral treatment",
"Markup": [
{
"Start": 0,
"Length": 5,
"URL": "https://www.whocc.no/atc_ddd_index/?code=A01AD"
}
]
},
{
"String": "A01AD05 - Acetylsalicylic acid",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://www.whocc.no/atc_ddd_index/?code=A01AD05"
},
{
"Start": 10,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 202,
"Value": {
"StringWithMarkup": [
{
"String": "B - Blood and blood forming organs",
"Markup": [
{
"Start": 0,
"Length": 1,
"URL": "https://www.whocc.no/atc_ddd_index/?code=B"
}
]
},
{
"String": "B01 - Antithrombotic agents",
"Markup": [
{
"Start": 0,
"Length": 3,
"URL": "https://www.whocc.no/atc_ddd_index/?code=B01"
}
]
},
{
"String": "B01A - Antithrombotic agents",
"Markup": [
{
"Start": 0,
"Length": 4,
"URL": "https://www.whocc.no/atc_ddd_index/?code=B01A"
}
]
},
{
"String": "B01AC - Platelet aggregation inhibitors excl. heparin",
"Markup": [
{
"Start": 0,
"Length": 5,
"URL": "https://www.whocc.no/atc_ddd_index/?code=B01AC"
}
]
},
{
"String": "B01AC06 - Acetylsalicylic acid",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://www.whocc.no/atc_ddd_index/?code=B01AC06"
},
{
"Start": 10,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Absorption, Distribution and Excretion",
"Information": [
{
"ReferenceNumber": 32,
"Name": "Absorption",
"Value": {
"StringWithMarkup": [
{
"String": "Absorption is generally rapid and complete following oral administration but absorption may be variable depending on the route, dosage form, and other factors including but not limited to the rate of tablet dissolution, gastric contents, gastric emptying time, and gastric pH. **Detailed absorption information** When ingested orally, acetylsalicylic acid is rapidly absorbed in both the stomach and proximal small intestine. The non-ionized acetylsalicylic acid passes through the stomach lining by passive diffusion. Ideal absorption of salicylate in the stomach occurs in the pH range of 2.15 - 4.10. Intestinal absorption of acetylsalicylic acid occurs at a much faster rate. At least half of the ingested dose is hydrolyzed to salicylic acid in the first-hour post-ingestion by esterases found in the gastrointestinal tract. Peak plasma salicylate concentrations occur between 1-2 hours post-administration.",
"Markup": [
{
"Start": 337,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 444,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 541,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 631,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 735,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 845,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 32,
"Name": "Route of Elimination",
"Value": {
"StringWithMarkup": [
{
"String": "Excretion of salicylates occurs mainly through the kidney, by the processes of glomerular filtration and tubular excretion, in the form of free salicylic acid, salicyluric acid, and, additionally, phenolic and acyl glucuronides. Salicylate can be found in the urine soon after administration, however, the entire dose takes about 48 hours to be completely eliminated. The rate of salicylate is often variable, ranging from 10% to 85% in the urine, and heavily depends on urinary pH. Acidic urine generally aids in reabsorption of salicylate by the renal tubules, while alkaline urine increases excretion. After the administration of a typical 325mg dose, the elimination of ASA is found to follow first order kinetics in a linear fashion. At high concentrations, the elimination half-life increases.",
"Markup": [
{
"Start": 144,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 160,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicyluric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
},
{
"Start": 231,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 382,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 533,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 32,
"Name": "Volume of Distribution",
"Value": {
"StringWithMarkup": [
{
"String": "This drug is distributed to body tissues shortly after administration. It is known to cross the placenta. The plasma contains high levels of salicylate, as well as tissues such as spinal, peritoneal and synovial fluids, saliva and milk. The kidney, liver, heart, and lungs are also found to be rich in salicylate concentration after dosing. Low concentrations of salicylate are usually low, and minimal concentrations are found in feces, bile, and sweat.",
"Markup": [
{
"Start": 141,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 302,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 363,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 32,
"Name": "Clearance",
"Value": {
"StringWithMarkup": [
{
"String": "The clearance rate of acetylsalicylic acid is extremely variable, depending on several factors. Dosage adjustments may be required in patients with renal impairment. The extended-release tablet should not be administered to patients with eGFR of less than 10 mL/min.",
"Markup": [
{
"Start": 22,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:6651815",
"Amon I et al; Biomed Biochim Acta 42 (7-8): 997-1004 (1983)"
],
"Value": {
"StringWithMarkup": [
{
"String": "The materno-fetal transfer of salicylic acid and its distribution in the fetal organism was investigated in women of early pregnancy. Acetylsalicylic acid was administered orally in a single dose or in repeated doses at different times before legal interruption. The mean passage rates were about 6-15%. They were independent of the maternal serum concentrations of salicylic acid. The distribution of salicylic acid on the fetal liver, intestine, kidneys, lungs and brain was different. All fetal organs (9th to 15th week of gestation) studied exhibit an acetylsalicylic acid-splitting esterase activity. The esterase activity of the fetal liver was about 30% of the hydrolytic activity of the adult liver. The esterase activity was mainly located in the 105 000 X g-supernatant of cell homogenates.",
"Markup": [
{
"Start": 30,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 134,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 366,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 402,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 556,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"McEvoy, G.K. (ed.). American Hospital Formulary Service. AHFS Drug Information. American Society of Health-System Pharmacists, Bethesda, MD. 2007., p. 2036"
],
"Value": {
"StringWithMarkup": [
{
"String": "Approximately 80-100% of an oral dose of aspirin is absorbed from the GI tract. However, the actual bioavailability of the drug as unhydrolyzed aspirin is lower since aspirin is partially hydrolyzed to salicylate in the GI mucosa during absorption and on first pass through the liver. There are relatively few studies of the bioavailability of unhydrolyzed aspirin. In one study in which aspirin was administered IV and as an oral aqueous solution, it was shown that the solution was completely absorbed but only about 70% reached the systemic circulation as unhydrolyzed aspirin. In another study in which aspirin was administered IV and orally as capsules, only about 50% of the oral dose reached the systemic circulation as unhydrolyzed aspirin. There is some evidence that the bioavailability of unhydrolyzed aspirin from slowly absorbed dosage forms (e.g., enteric-coated tablets) may be substantially decreased. Food does not appear to decrease the bioavailability of unhydrolyzed aspirin or salicylate; however, absorption is delayed and peak serum aspirin or salicylate concentration may be decreased. There is some evidence that absorption of salicylate following oral administration may be substantially impaired or is highly variable during the febrile phase of Kawasaki disease.",
"Markup": [
{
"Start": 41,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 144,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 167,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 202,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 357,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 388,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 572,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 607,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 740,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 813,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 987,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 998,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 1056,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1067,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 1152,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:18044220",
"Ihama Y t al; Chudoku Kenkyu 20 (4): 375-80 (2007)"
],
"Value": {
"StringWithMarkup": [
{
"String": "A 52 year-old woman ingested approximately 300 tablets (325 mg) of aspirin in a suicide attempt. ... The concentrations of salicylic acid in heart and femoral blood were 1.1 mg/mL and 1.3 mg/mL, respectively; the results were far higher than the lethal level. The concentration of salicylic acid was 0.3-0.4 mg/g in brain, 0.9-1.4 mg/g in lung, 0.6-0.8 mg/g in liver and 0.9 mg/mL in kidney.",
"Markup": [
{
"Start": 67,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 123,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 281,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:3680588",
"Kershaw RA et al; J Clin Pharmacol 27 (4): 304-9 (1987)"
],
"Value": {
"StringWithMarkup": [
{
"String": "The study was undertaken to determine the distribution of aspirin and its metabolites in the semen of humans after an oral dose of aspirin. Each of seven healthy male volunteers was given a single oral dose of 975 mg of aspirin on an empty stomach together with 200 mL of water. Timed samples of blood and semen were obtained from each subject, and the concentrations of aspirin, salicylic acid, and salicyluric acid determined by a specific high-performance liquid chromatographic assay. The mean peak concentration of aspirin was 6.5 micrograms/mL in plasma (range, 4.9-8.9 micrograms/mL), reached in 26 minutes (range, 13-33 minutes). The half-life of aspirin was 31 minutes. The concentration ratio of aspirin (semen/plasma) was 0.12 (except for one subject in whom it was 0.025). The mean peak concentration of salicylate in plasma was 49 micrograms/mL (range, 42-62 micrograms/mL), reached in 2.5 hours (range, 2.0-2.8 hours). Salicylate distributed rapidly into semen and maintained a concentration ratio (semen/plasma) of 0.15. Salicyluric acid (the glycine conjugate of salicylic acid) was found in the semen. Its high concentration in some subjects' semen (four times the concurrent plasma concentration) was attributed to contamination of semen sample with residual urine, containing salicylurate, in the urethra of those who urinated after the dose of aspirin. Possible side effects of aspirin and salicylate in semen include adverse effects on fertility, male-medicated teratogenesis, dominant lethal mutations, and hypersensitivity reactions in the recipients.",
"Markup": [
{
"Start": 58,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 131,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 220,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 272,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 371,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 380,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 400,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicyluric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
},
{
"Start": 520,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 655,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 706,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 816,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 933,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 1036,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicyluric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
},
{
"Start": 1058,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glycine",
"Type": "PubChem Internal Link",
"Extra": "CID-750"
},
{
"Start": 1079,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 1295,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylurate",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
},
{
"Start": 1364,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1398,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1410,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Absorption, Distribution and Excretion (Complete) data for ACETYLSALICYLIC ACID (12 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 118,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Absorption-Distribution-and-Excretion-(Complete)"
},
{
"Start": 68,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Metabolism/Metabolites",
"Description": "Metabolites are substances made or used when the body breaks down food, drugs or chemicals, or its own tissue (for example, fat or muscle tissue). This process is called metabolism and makes energy and the materials needed for growth, reproduction, and maintaining health. Metabolism also helps get rid of toxic substances.",
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid is hydrolyzed in the plasma to salicylic acid. Plasma concentrations of aspirin following after administration of the extended-release form are mostly undetectable 4-8 hours after ingestion of a single dose. Salicylic acid was measured at 24 hours following a single dose of extended-release acetylsalicylic acid. Salicylate is mainly metabolized in the liver, although other tissues may also be involved in this process. The major metabolites of acetylsalicylic acid are salicylic acid, salicyluric acid, the ether or phenolic glucuronide and the ester or acyl glucuronide. A small portion is converted to gentisic acid and other hydroxybenzoic acids.",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 52,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 94,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 230,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 314,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 337,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 470,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 495,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 511,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicyluric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
},
{
"Start": 630,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/gentisic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-3469"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"International Programme on Chemical Safety; Poisons Information Monograph: Acetylsalicylic Acid (PIM 006) (1991) Available from, as of March 10, 2008: https://www.inchem.org/pages/pims.html"
],
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid is hydrolyzed in the stomach and in blood to salicylic acid and acetic acid; ... .",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 66,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 85,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-176"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"The Chemical Society. Foreign Compound Metabolism in Mammals. Volume 2: A Review of the Literature Published Between 1970 and 1971. London: The Chemical Society, 1972., p. 183"
],
"Value": {
"StringWithMarkup": [
{
"String": "MAJOR URINARY METABOLITES OF ASPIRIN INCL SALICYLURONIC ACID ... SALICYL-O-GLUCURONIDE ... & SALICYL ESTER GLUCURONIDE ... & FREE SALICYLIC ACID ... .",
"Markup": [
{
"Start": 29,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 130,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/SALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:18044220",
"Ihama Y et al; Chudoku Kenkyu 20 (4): 375-80 (2007)"
],
"Value": {
"StringWithMarkup": [
{
"String": "A 52 year-old woman ingested approximately 300 tablets (325 mg) of aspirin in a suicide attempt. /Investigators/ analyzed the concentrations of salicylic acid (SA) and salicyluric acid (SUA) in body fluids and organs using a modified previous high-performance liquid chromatographic method. The concentrations of SA in heart and femoral blood were 1.1 mg/mL and 1.3 mg/mL, respectively; the results were far higher than the lethal level. The concentration of SA was 0.3-0.4 mg/g in brain, 0.9-1.4 mg/g in lung, 0.6-0.8 mg/g in liver and 0.9 mg/mL in kidney.",
"Markup": [
{
"Start": 67,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 144,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 168,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicyluric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
}
]
}
]
}
},
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid is rapidly hydrolyzed primarily in the liver to salicylic acid, which is conjugated with glycine (forming salicyluric acid) and glucuronic acid and excreted largely in the urine.\u000AHalf Life: The plasma half-life is approximately 15 minutes; that for salicylate lengthens as the dose increases: doses of 300 to 650 mg have a half-life of 3.1 to 3.2 hours; with doses of 1 gram, the half-life is increased to 5 hours and with 2 grams it is increased to about 9 hours.",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 69,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 110,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glycine",
"Type": "PubChem Internal Link",
"Extra": "CID-750"
},
{
"Start": 127,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicyluric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
},
{
"Start": 149,
"Length": 15,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucuronic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-94715"
},
{
"Start": 270,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Biological Half-Life",
"Description": "The time required for a biological system (e.g., human body) to eliminate, by natural processes, half of the amount of a chemical (e.g., alcohol, medication, or radioactive material) that has entered it.",
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "The half-life of ASA in the circulation ranges from 13 - 19 minutes. Blood concentrations drop rapidly after complete absorption. The half-life of the salicylate ranges between 3.5 and 4.5 hours.",
"Markup": [
{
"Start": 151,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2576"
],
"Value": {
"StringWithMarkup": [
{
"String": "15 to 20 minutes (for intact molecule); rapidly hydrolyzed to salicylate. In breast milk (as salicylate): 3.8 to 12.5 hours (average 7.1 hours) following a single 650 mg dose of aspirin.",
"Markup": [
{
"Start": 62,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 93,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 178,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Kahn, C.M. (Ed.); The Merck Veterinary Manual 9th ed. Merck & Co. Whitehouse Station, NJ. 2005, p. 2528"
],
"Value": {
"StringWithMarkup": [
{
"String": "Cats are deficient in glucuronyl transferase and have a prolonged excretion of aspirin (the half-life in cats is 37.5 hr).",
"Markup": [
{
"Start": 79,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Mechanism of Action",
"Description": "In medicine, the term \"mechanism of action\" (also called MOA) is used to describe how a drug or other substance produces an effect in the body. For example, a drug's mechanism of action could be how it affects a specific target in a cell, such as an enzyme, or a cell function, such as cell growth. Knowing the mechanism of action of a drug may help provide information about the safety of the drug and how it affects the body. It may also help identify the right dose of a drug and which patients are most likely to respond to treatment.",
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid (ASA) blocks prostaglandin synthesis. It is non-selective for COX-1 and COX-2 enzymes. Inhibition of COX-1 results in the inhibition of platelet aggregation for about 7-10 days (average platelet lifespan). The acetyl group of acetylsalicylic acid binds with a serine residue of the cyclooxygenase-1 (COX-1) enzyme, leading to irreversible inhibition. This prevents the production of pain-causing prostaglandins. This process also stops the conversion of arachidonic acid to thromboxane A2 (TXA2), which is a potent inducer of platelet aggregation. Platelet aggregation can result in clots and harmful venous and arterial thromboembolism, leading to conditions such as pulmonary embolism and stroke. It is important to note that there is 60% homology between the protein structures of COX-1 and COX-2. ASA binds to serine 516 residue on the active site of COX-2 in the same fashion as its binding to the serine 530 residue located on the active site of COX-1. The active site of COX-2 is, however, slightly larger than the active site of COX-1, so that arachidonic acid (which later becomes prostaglandins) manages to bypass the aspirin molecule inactivating COX-2. ASA, therefore, exerts more action on the COX-1 receptor rather than on the COX-2 receptor. A higher dose of acetylsalicylic acid is required for COX-2 inhibition.",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 247,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 281,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/serine",
"Type": "PubChem Internal Link",
"Extra": "CID-5951"
},
{
"Start": 475,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/arachidonic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-444899"
},
{
"Start": 495,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/thromboxane%20A2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 511,
"Length": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/TXA2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 838,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/serine",
"Type": "PubChem Internal Link",
"Extra": "CID-5951"
},
{
"Start": 927,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/serine",
"Type": "PubChem Internal Link",
"Extra": "CID-5951"
},
{
"Start": 1076,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/arachidonic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-444899"
},
{
"Start": 1152,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1299,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2575"
],
"Value": {
"StringWithMarkup": [
{
"String": "Produce analgesia through a peripheral action by blocking pain impulse generation and via a central action, possibly in the hypothalamus. The peripheral action may predominate and probably involves inhibition of the synthesis or prostaglandins, and possibly inhibition of the synthesis and/or actions of other substances, which sensitize pain receptors to mechanical or chemical stimulation. /Salicylates/"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2575"
],
"Value": {
"StringWithMarkup": [
{
"String": "May produce antipyresis by acting centrally on the hypothalamic heat-regulating center to produce peripheral vasodilation resulting in increased cutaneous blood flow, sweating, and heat loss. The central action may involve inhibition of prostaglandin synthesis in the hypothalamus; however, there is some evidence that fevers caused by endogenous pyrogens that do not act via a prostaglandin mechanism may also respond to salicylate therapy. /Salicylates/",
"Markup": [
{
"Start": 422,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Evaluations of Drug Interactions. 2nd ed. and supplements. Washington, DC: American Pharmaceutical Assn., 1976, 1978., p. 341"
],
"Value": {
"StringWithMarkup": [
{
"String": "CNS ... ESP NUCLEI LOCATED IN HYPOTHALAMUS PLAYS MAJOR ROLE IN REGULATION OF PERIPHERAL MECHANISMS CONCERNED WITH BODY HEAT PRODN & LOSS. WITH SALICYLATES, HEAT PRODN IS NOT INHIBITED, BUT HEAT LOSS IS INCR BY INCR PERIPHERAL BLOOD FLOW & PERSPIRATION. /SALICYLATES/"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"McEvoy, G.K. (ed.). American Hospital Formulary Service. AHFS Drug Information. American Society of Health-System Pharmacists, Bethesda, MD. 2007., p. 2035"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin acetylates prostaglandin endoperoxide synthase (prostaglandin G/H-synthase) and irreversibly inhibits its cyclooxygenase (COX) activity. The enzyme catalyzes the conversion of arachidonic acid to PGH2, the first committed step in prostanoid biosynthesis. Two isoforms of prostaglandin endoperoxide synthase exist, PGHS-1 and PGHS-2 (also referred to as COX-1 and COX-2, respectively). PGHS-1 (COX-1) is expressed constitutively in most cell types, including platelets. PGHS-2 (COX-2) is undetectable in most mammalian cells, but its expression can be induced rapidly in response to mitogenic and inflammatory stimuli. Aspirin is a relatively selective inhibitor of platelet PGHS-1 (cyclooxygenase-1, COX-1). The existence of 2 isoenzymes with different aspirin sensitivities, coupled with extremely different recovery rates of their cyclooxygenase (COX) activity following inactivation by aspirin, at least partially explains the different dosage requirements and durations of aspirin effects on platelet function versus the drug's analgesic and anti-inflammatory effects. Human platelets and vascular endothelial cells process PGH2 to produce thromboxane A2 and prostacyclin (epoprostenol, PGI2), respectively. Thromboxane A2 induces platelet aggregation and vasoconstriction, while prostacyclin inhibits platelet aggregation and induces vasodilation. Aspirin is antithrombotic in a wide range of doses inhibiting thromboxane A2 and prostacyclin.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 184,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/arachidonic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-444899"
},
{
"Start": 204,
"Length": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/PGH2",
"Type": "PubChem Internal Link",
"Extra": "CID-445049"
},
{
"Start": 626,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 761,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 897,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 985,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1136,
"Length": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/PGH2",
"Type": "PubChem Internal Link",
"Extra": "CID-445049"
},
{
"Start": 1152,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/thromboxane%20A2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 1171,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostacyclin",
"Type": "PubChem Internal Link",
"Extra": "CID-5282411"
},
{
"Start": 1185,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/epoprostenol",
"Type": "PubChem Internal Link",
"Extra": "CID-5282411"
},
{
"Start": 1199,
"Length": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/PGI2",
"Type": "PubChem Internal Link",
"Extra": "CID-5282411"
},
{
"Start": 1220,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Thromboxane%20A2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 1292,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostacyclin",
"Type": "PubChem Internal Link",
"Extra": "CID-5282411"
},
{
"Start": 1361,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1423,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/thromboxane%20A2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 1442,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostacyclin",
"Type": "PubChem Internal Link",
"Extra": "CID-5282411"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Mechanism of Action (Complete) data for ACETYLSALICYLIC ACID (12 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 99,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Mechanism-of-Action-(Complete)"
},
{
"Start": 49,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Human Metabolite Information",
"Description": "Information on metabolites generated from this compound in the human body. The data in this section is from the Human Metabolome Database.",
"URL": "https://hmdb.ca/",
"Section": [
{
"TOCHeading": "Tissue Locations",
"Description": "Tissue locations of this compound or its metabolites (e.g., bone marrow, kidney, liver, placenta, pancreas, skeletal muscle, intestine, etc.)",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 57,
"Name": "Tissue Locations",
"Value": {
"StringWithMarkup": [
{
"String": "Platelet"
}
]
}
}
]
},
{
"TOCHeading": "Cellular Locations",
"Description": "Cellular locations of this compound or its metabolites (e.g., cytoplasm, nucleus, lysosome, mitochondria, membrane, extracelluar).",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 57,
"Name": "Cellular Locations",
"Value": {
"StringWithMarkup": [
{
"String": "Cytoplasm"
}
]
}
}
]
},
{
"TOCHeading": "Metabolite Pathways",
"Description": "Metabolic pathways related to this chemical. A metabolic pathway is a series of chemical reactions in a cell that build and breakdown molecules for cellular processes.",
"URL": "https://bio.libretexts.org/Bookshelves/Introductory_and_General_Biology/Book%3A_General_Biology_(Boundless)/06%3A_Metabolism/6.03%3A__Energy_and_Metabolism_-_Metabolic_Pathways",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 57,
"Name": "Metabolite Pathways",
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic Acid Action Pathway",
"Markup": [
{
"Start": 0,
"Length": 35,
"URL": "http://smpdb.ca/view/SMP00083"
},
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20Acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Biochemical Reactions",
"Description": "Biochemical reactions in which this compound participates.",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"ExternalTableName": "pathwayreaction"
}
}
]
},
{
"TOCHeading": "Transformations",
"Description": "Transformations indicate that a compound (predecessor) is transformed into another compound (successor) through a particular process (such as metabolism or fermentation) or medium (such as an animal or plant). The specificity of a transformation may vary depending on the available scientific evidence. A transformation may involve a series or cascade of changes between the predecessor (reactant) and successor (product). The presence of a successor in a sample may imply the predecessor. Predecessor: chemical being transformed. Transformation: process or medium. Successor: transformation product of predecessor. Evidence: the publication providing evidence for this transformation. Dataset: the integrated content containing the transformation information. Source: the entity or group that compiled the dataset containing the transformation information.",
"Information": [
{
"ReferenceNumber": 9,
"Value": {
"ExternalTableName": "collection=chemblmetabolism&view=concise_cid"
}
},
{
"ReferenceNumber": 154,
"Value": {
"ExternalTableName": "transformations"
}
}
]
}
]
},
{
"TOCHeading": "Use and Manufacturing",
"Description": "This section provides information on the use and manufacturing information for this chemical, such as uses, consumption patterns, manufacturing methods, and U.S. imports/exports/production.",
"Section": [
{
"TOCHeading": "Uses",
"Description": "Major uses of this chemical, including both consumer uses and industrial uses.",
"Information": [
{
"ReferenceNumber": 44,
"Name": "EPA CPDat Chemical and Product Categories",
"Reference": [
"The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125"
],
"Value": {
"ExternalTableName": "cpdat"
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 141"
],
"Value": {
"StringWithMarkup": [
{
"String": "Therapeutic Category: Analgesic; antipyretic; anti-inflammatory; antithrombotic."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 141"
],
"Value": {
"StringWithMarkup": [
{
"String": "Therapeutic Category (Vet): Analgesic; antipyretic; anti-inflammatory; antithrombotic."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "MEDICATION"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"CHEMICAL PROFILE: Aspirin, 1981"
],
"Value": {
"StringWithMarkup": [
{
"String": "CHEMICAL PROFILE: Virtually all aspirin is used in pharmaceutical products in aspirin tablets or in concert with other ingredients (1981)",
"Markup": [
{
"Start": 32,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 78,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Uses (Complete) data for ACETYLSALICYLIC ACID (7 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 83,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Uses-(Complete)"
},
{
"Start": 34,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "For use in the temporary relief of various forms of pain, inflammation associated with various conditions (including rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus, osteoarthritis, and ankylosing spondylitis), and is also used to reduce the risk of death and/or nonfatal myocardial infarction in patients with a previous infarction or unstable angina pectoris."
}
]
}
}
],
"Section": [
{
"TOCHeading": "Use Classification",
"Description": "This section contains use classification/category information for this compound from various sources.",
"Information": [
{
"ReferenceNumber": 50,
"Value": {
"StringWithMarkup": [
{
"String": "Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients"
}
]
}
},
{
"ReferenceNumber": 53,
"Value": {
"StringWithMarkup": [
{
"String": "Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients"
}
]
}
},
{
"ReferenceNumber": 154,
"Reference": [
"S72 | NTUPHTW | Pharmaceutically Active Substances from National Taiwan University | DOI:10.5281/zenodo.3955664"
],
"Value": {
"StringWithMarkup": [
{
"String": "Pharmaceuticals -> Animal Drugs -> Approved in Taiwan"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Methods of Manufacturing",
"Description": "Methods of producing this compound in an industrial scale, provided by the Hazardous Substances Data Bank (HSDB).",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Ullmann's Encyclopedia of Industrial Chemistry. 6th ed.Vol 1: Federal Republic of Germany: Wiley-VCH Verlag GmbH & Co. 2003 to Present, p. V31 725 (2003)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid is prepared by reacting acetic anhydride with salicylic acid at a temperature of <90 °C either in a solvent (e.g., acetic acid or aromatic, acyclic, or chlorinated hydrocarbons) or by the addition of catalysts such as acids or tertiary amines.",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 45,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20anhydride",
"Type": "PubChem Internal Link",
"Extra": "CID-7918"
},
{
"Start": 67,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 140"
],
"Value": {
"StringWithMarkup": [
{
"String": "Manufacture from salicylic acid and acetic anhydride. ... Crystallization from acetone..",
"Markup": [
{
"Start": 17,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 36,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetic%20anhydride",
"Type": "PubChem Internal Link",
"Extra": "CID-7918"
},
{
"Start": 79,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
"Type": "PubChem Internal Link",
"Extra": "CID-180"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Impurities",
"Description": "Impurities are (unwanted) chemical substances that differ from the compound of interest and can be either naturally occurring or formed during the synthesis of a chemical compound.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Council of Europe, European Directorate for the Quality of Medicines. European Pharmacopoeia, 5th Ed., Volume 2; Strasbourg, France, p.917 (2004)"
],
"Value": {
"StringWithMarkup": [
{
"String": "4-hydroxybenzoic acid; 4-hydroxybenzene-1,3-dicarboxylic acid (4-hydroxyisophthalic acid); salicylic acid; 2-[[2-(acetyloxy)benzoyl]oxy]benzoic acid (acetylsalicylsalicylic acid); 2-[(2-hydroxybenzoyl)oxy]benzoic acid (salicylsalicylic acid); 2-(acetyloxy)benzoic anhydride (acetylsalicylic anhydride)",
"Markup": [
{
"Start": 0,
"Length": 21,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/4-hydroxybenzoic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-135"
},
{
"Start": 23,
"Length": 38,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/4-hydroxybenzene-1%2C3-dicarboxylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-161113247"
},
{
"Start": 63,
"Length": 25,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/4-hydroxyisophthalic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-12490"
},
{
"Start": 91,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 150,
"Length": 27,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10745"
},
{
"Start": 180,
"Length": 37,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/2-%5B%282-hydroxybenzoyl%29oxy%5Dbenzoic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-5161"
},
{
"Start": 219,
"Length": 21,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-5161"
},
{
"Start": 243,
"Length": 30,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/2-%28acetyloxy%29benzoic%20anhydride",
"Type": "PubChem Internal Link",
"Extra": "CID-15110"
},
{
"Start": 275,
"Length": 25,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20anhydride",
"Type": "PubChem Internal Link",
"Extra": "CID-15110"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Formulations/Preparations",
"Description": "Information on Formulations/Preparations of this chemical, collected by the Hazardous Substances Data Bank (HSDB) from various sources.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"McEvoy, G.K. (ed.). American Hospital Formulary Service. AHFS Drug Information. American Society of Health-System Pharmacists, Bethesda, MD. 2007., p. 2037"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin Formulations:"
},
{
"String": "Table: Aspirin Formulations: [Table#1910]",
"Markup": [
{
"Start": 29,
"Length": 12,
"Type": "Inline Table",
"Extra": "[Table#1910]"
},
{
"Start": 7,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Name": "[Table#1910]",
"Value": {
"Binary": [
"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"
],
"MimeType": "text/csv"
}
}
]
},
{
"TOCHeading": "Consumption Patterns",
"Description": "Consumption patterns of this chemical and products containing it, collected by the Hazardous Substances Data Bank (HSDB) from various sources.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"SRI"
],
"Value": {
"StringWithMarkup": [
{
"String": "54% AS AN ANALGESIC IN COMBINATION WITH OTHER ACTIVE OR INERT INGREDIENTS; 46% AS AN ANALGESIC IN SINGLE INGREDIENT ASPIRIN TABLETS (1973)",
"Markup": [
{
"Start": 116,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Kavaler AR; Chemical Marketing Reporter 231 (8): 54 (1987)"
],
"Value": {
"StringWithMarkup": [
{
"String": "CHEMICAL PROFILE: Aspirin. Almost all aspirin manufactured in the US is used in aspirin tablets, pharmaceutical products or in conjunction with other ingredients for its analgesic and antipyretic properties. Approx 10% of US production is exported in bulk.",
"Markup": [
{
"Start": 18,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 38,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 80,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Kavaler AR; Chemical Marketing Reporter 231 (8): 54 (1987)"
],
"Value": {
"StringWithMarkup": [
{
"String": "CHEMICAL PROFILE: Aspirin. Demand: 1986: 29.5 million lb; 1987: 30.0 million lb; 1991 /projected/: 31.8 million lb.",
"Markup": [
{
"Start": 18,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Kavaler AR; Chemical Marketing Reporter 237 (10): 50 (1990)"
],
"Value": {
"StringWithMarkup": [
{
"String": "CHEMICAL PROFILE: Aspirin. Almost all aspirin manufactured in the US is used in aspirin tablets, pharmaceutical products or in conjunction with other ingredients for its analgesic and antipyretic properties. Approximately 5% of US production is exported in bulk.",
"Markup": [
{
"Start": 18,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 38,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 80,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Consumption Patterns (Complete) data for ACETYLSALICYLIC ACID (8 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 99,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Consumption-Patterns-(Complete)"
},
{
"Start": 50,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "U.S. Production",
"Description": "The amount of this chemical produced/manufactured in the U.S.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"SRI"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1972) 1.59X10+10 GRAMS"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"SRI"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1975) 1.16X10+10 GRAMS"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"USITC. SYN ORG CHEM-U.S. PROD/SALES 1985 p.97"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1984) 1.54X10+10 g"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"US EPA; Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). Benzoic acid, 2-(acetyloxy)- (50-78-2). Available from, as of March 20, 2008: https://www.epa.gov/oppt/iur/tools/data/2002-vol.html"
],
"Value": {
"StringWithMarkup": [
{
"String": "Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1911]",
"Markup": [
{
"Start": 92,
"Length": 12,
"Type": "Inline Table",
"Extra": "[Table#1911]"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Name": "[Table#1911]",
"Value": {
"Binary": [
"IlllYXIiLCJQcm9kdWN0aW9uIFJhbmdlIChwb3VuZHMpIgoiMTk4NiIsIj4xIG1pbGxpb24gLSAxMCBtaWxsaW9uIgoiMTk5MCIsIk5vIFJlcG9ydHMiCiIxOTk0IiwiMTAgdGhvdXNhbmQgLSA1MDAgdGhvdXNhbmQiCiIxOTk4IiwiMTAgdGhvdXNhbmQgLSA1MDAgdGhvdXNhbmQiCiIyMDAyIiwiTm8gUmVwb3J0cyIK"
],
"MimeType": "text/csv"
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more U.S. Production (Complete) data for ACETYLSALICYLIC ACID (7 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 94,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=U-S-Production-(Complete)"
},
{
"Start": 45,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "U.S. Imports",
"Description": "The amount of this chemical imported to the U.S.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"SRI"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1972) 2.04X10+8 GRAMS"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"SRI"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1975) 1.42X10+8 GRAMS"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"BUREAU OF THE CENSUS. U.S. IMPORTS FOR CONSUMPTION AND GENERAL IMPORTS 1984 p.1-340"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1984) 1.65x10+9 g"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Kavaler AR; Chemical Marketing Reporter 237 (10): 50 (1990)"
],
"Value": {
"StringWithMarkup": [
{
"String": "CHEMICAL PROFILE: Aspirin imports were 2.6 million lb last year /1989/.",
"Markup": [
{
"Start": 18,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more U.S. Imports (Complete) data for ACETYLSALICYLIC ACID (6 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 91,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=U-S-Imports-(Complete)"
},
{
"Start": 42,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "U.S. Exports",
"Description": "The amount of this chemical exported from the U.S.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"SRI"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1972) 8.74X10+8 GRAMS (BULK)"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"SRI"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1975) 1.06X10+8 GRAMS"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"BUREAU OF THE CENSUS. U.S. EXPORTS, SCHEDULE E, 1984 p.2-83"
],
"Value": {
"StringWithMarkup": [
{
"String": "(1984) 1.26X10+9 g (bulk)"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Kavaler AR; Chemical Marketing Reporter 237 (10): 50 (1990)"
],
"Value": {
"StringWithMarkup": [
{
"String": "CHEMICAL PROFILE: Aspirin exports were 1.3 million lb /in 1989/.",
"Markup": [
{
"Start": 18,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more U.S. Exports (Complete) data for ACETYLSALICYLIC ACID (7 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 91,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=U-S-Exports-(Complete)"
},
{
"Start": 42,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "General Manufacturing Information",
"Description": "General manufacturing information for this chemical, provided by the Hazardous Substances Data Bank (HSDB) and EPA TSCA Chemical Substance Inventory.",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 45,
"Name": "EPA TSCA Commercial Activity Status",
"Value": {
"StringWithMarkup": [
{
"String": "Benzoic acid, 2-(acetyloxy)-: ACTIVE",
"Markup": [
{
"Start": 0,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Benzoic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-243"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V20: 500 (1982)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid otherwise known as aspirin, has been the most widely used over the counter drug.",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 40,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Identification",
"Description": "This section contains laboratory methods used to identify this chemical.",
"Section": [
{
"TOCHeading": "Analytic Laboratory Methods",
"Description": "Analytic laboratory methods for analyzing this compound in a sample. The information in this section is collected by the Hazardous Substances Data Bank (HSDB) from various sources.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Sunshine, I. (ed.). CRC Handbook of Analytical Toxicology. Cleveland: The Chemical Rubber Co., 1969., p. 3"
],
"Value": {
"StringWithMarkup": [
{
"String": "THIN LAYER CHROMATOGRAPHY. GAS LIQUID CHROMATOGRAPHY."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Sunshine, I. (ed.). CRC Handbook of Analytical Toxicology. Cleveland: The Chemical Rubber Co., 1969., p. 3"
],
"Value": {
"StringWithMarkup": [
{
"String": "GENERAL SAMPLE, SPECTROPHOTOMETRY."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"U.S. Pharmacopeia. The United States Pharmacopeia, USP 30/The National Formulary, NF 25; Rockville, MD: U.S. Pharmacopeial Convention, Inc., p.1443 (2007)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Analyte: aspirin; matrix: chemical identification; procedure: infrared absorption spectrophotometry with comparison to standards",
"Markup": [
{
"Start": 9,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"U.S. Pharmacopeia. The United States Pharmacopeia, USP 30/The National Formulary, NF 25; Rockville, MD: U.S. Pharmacopeial Convention, Inc., p.1443 (2007)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Analyte: aspirin; matrix: chemical identification; procedure: dissolution in water; reaction with ferric chloride to produce a violet-red color",
"Markup": [
{
"Start": 9,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 77,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 98,
"Length": 15,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ferric%20chloride",
"Type": "PubChem Internal Link",
"Extra": "CID-24380"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Analytic Laboratory Methods (Complete) data for ACETYLSALICYLIC ACID (29 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 107,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Analytic-Laboratory-Methods-(Complete)"
},
{
"Start": 57,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Clinical Laboratory Methods",
"Description": "Clinical laboratory methods for detecting, isolating, separating, and/or analyzing this compound in a sample. The information in this section is collected by the Hazardous Substances Data Bank (HSDB) from various sources.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Sunshine, I. (ed.). CRC Handbook of Analytical Toxicology. Cleveland: The Chemical Rubber Co., 1969., p. 3"
],
"Value": {
"StringWithMarkup": [
{
"String": "BLOOD, FLUOROMETRY; BLOOD, SPECTROPHOTOMETRY; URINE, SPECTROPHOTOMETRY."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Goto Y et al; J Chromatogr B 706: 329-335 (1998). As cited in: Lunn G; HPLC and CE Methods for Pharmaceutical Analysis. CD-ROM. New York, NY: John Wiley & Sons (2000)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Analyte: acetylsalicylic acid; matrix: blood (serum); procedure: capillary electrophoresis with ultraviolet detection at 210 nm",
"Markup": [
{
"Start": 9,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Benedek IH et al; J Clin Pharmacol 35: 1181-1186 (1995). As cited in: Lunn G; HPLC and CE Methods for Pharmaceutical Analysis. CD-ROM. New York, NY: John Wiley & Sons (2000)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Analyte: acetylsalicylic acid; matrix: blood (plasma); procedure: high-performance liquid chromatography with ultraviolet detection at 237 nm; limit of quantitation: 20 ng/mL",
"Markup": [
{
"Start": 9,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Nimura N et al; J Chromatogr A 689: 203-210 (1995). As cited in: Lunn G; HPLC and CE Methods for Pharmaceutical Analysis. CD-ROM. New York, NY: John Wiley & Sons (2000)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Analyte: acetylsalicylic acid; matrix: blood (serum); procedure: high-performance liquid chromatography with ultraviolet detection at 254 nm",
"Markup": [
{
"Start": 9,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Clinical Laboratory Methods (Complete) data for ACETYLSALICYLIC ACID (8 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 106,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Clinical-Laboratory-Methods-(Complete)"
},
{
"Start": 57,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Safety and Hazards",
"Description": "Information on safety and hazards for this compound, including safety/hazards properties, reactivity, incompatibilities, management techniques, first aid treatments, and more. For toxicity and related information, please see the Toxicity section.",
"Section": [
{
"TOCHeading": "Hazards Identification",
"Description": "This section identifies the hazards of the chemical presented on the safety data sheet (SDS) and the appropriate warning information associated with those hazards. The information in this section includes, but are not limited to, the hazard classification of the chemical, signal word, pictograms, hazard statements and precautionary statements.",
"URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
"Section": [
{
"TOCHeading": "GHS Classification",
"Description": "GHS (Globally Harmonized System of Classification and Labelling of Chemicals) is a United Nations system to identify hazardous chemicals and to inform users about these hazards. GHS has been adopted by many countries around the world and is now also used as the basis for international and national transport regulations for dangerous goods. The GHS hazard statements, class categories, pictograms, signal words, and the precautionary statements can be found on the PubChem GHS page.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"ShowAtMost": 1
},
"Information": [
{
"ReferenceNumber": 48,
"Name": "Pictogram(s)",
"Value": {
"StringWithMarkup": [
{
"String": " ",
"Markup": [
{
"Start": 0,
"Length": 1,
"URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg",
"Type": "Icon",
"Extra": "Irritant"
}
]
}
]
}
},
{
"ReferenceNumber": 48,
"Name": "Signal",
"Value": {
"StringWithMarkup": [
{
"String": "Warning",
"Markup": [
{
"Start": 0,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
}
]
}
},
{
"ReferenceNumber": 48,
"Name": "GHS Hazard Statements",
"Value": {
"StringWithMarkup": [
{
"String": "H302 (95.27%): Harmful if swallowed [Warning Acute toxicity, oral]",
"Markup": [
{
"Start": 37,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H315 (21.62%): Causes skin irritation [Warning Skin corrosion/irritation]",
"Markup": [
{
"Start": 39,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H319 (23.31%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]",
"Markup": [
{
"Start": 46,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H335 (35.14%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]",
"Markup": [
{
"Start": 49,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
}
]
}
},
{
"ReferenceNumber": 48,
"Name": "Precautionary Statement Codes",
"Value": {
"StringWithMarkup": [
{
"String": "P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501"
},
{
"String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
"Markup": [
{
"Start": 64,
"Length": 18,
"URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
}
]
}
]
}
},
{
"ReferenceNumber": 48,
"Name": "ECHA C&L Notifications Summary",
"Value": {
"StringWithMarkup": [
{
"String": "Aggregated GHS information provided by 297 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.",
"Markup": [
{
"Start": 0,
"Length": 177,
"Type": "Italics"
}
]
},
{
"String": "Reported as not meeting GHS hazard criteria by 1 of 297 reports by companies. For more detailed information, please visit ECHA C&L website.",
"Markup": [
{
"Start": 0,
"Length": 144,
"Type": "Italics"
},
{
"Start": 123,
"Length": 20,
"URL": "https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/88331"
}
]
},
{
"String": "Of the 21 notification(s) provided by 296 of 297 reports by companies with hazard statement code(s).",
"Markup": [
{
"Start": 0,
"Length": 100,
"Type": "Italics"
}
]
},
{
"String": "Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 40% are shown.",
"Markup": [
{
"Start": 0,
"Length": 281,
"Type": "Italics"
}
]
}
]
}
},
{
"ReferenceNumber": 150,
"Name": "Pictogram(s)",
"Value": {
"StringWithMarkup": [
{
"String": " ",
"Markup": [
{
"Start": 0,
"Length": 1,
"URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg",
"Type": "Icon",
"Extra": "Irritant"
},
{
"Start": 1,
"Length": 1,
"URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
"Type": "Icon",
"Extra": "Health Hazard"
}
]
}
]
}
},
{
"ReferenceNumber": 150,
"Name": "Signal",
"Value": {
"StringWithMarkup": [
{
"String": "Danger",
"Markup": [
{
"Start": 0,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
}
]
}
},
{
"ReferenceNumber": 150,
"Name": "GHS Hazard Statements",
"Value": {
"StringWithMarkup": [
{
"String": "H302: Harmful if swallowed [Warning Acute toxicity, oral]",
"Markup": [
{
"Start": 28,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H316: Causes mild skin irritation [Warning Skin corrosion/irritation]",
"Markup": [
{
"Start": 35,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]",
"Markup": [
{
"Start": 37,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]",
"Markup": [
{
"Start": 81,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
},
{
"String": "H360: May damage fertility or the unborn child [Danger Reproductive toxicity]",
"Markup": [
{
"Start": 48,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
},
{
"String": "H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]",
"Markup": [
{
"Start": 34,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]",
"Markup": [
{
"Start": 74,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
}
]
}
},
{
"ReferenceNumber": 150,
"Name": "Precautionary Statement Codes",
"Value": {
"StringWithMarkup": [
{
"String": "P203, P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P308+P316, P318, P319, P330, P332+P317, P337+P317, P342+P316, P403, P405, and P501"
},
{
"String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
"Markup": [
{
"Start": 64,
"Length": 18,
"URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
}
]
}
]
}
},
{
"ReferenceNumber": 151,
"Name": "Pictogram(s)",
"Value": {
"StringWithMarkup": [
{
"String": " ",
"Markup": [
{
"Start": 0,
"Length": 1,
"URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg",
"Type": "Icon",
"Extra": "Irritant"
},
{
"Start": 1,
"Length": 1,
"URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
"Type": "Icon",
"Extra": "Health Hazard"
}
]
}
]
}
},
{
"ReferenceNumber": 151,
"Name": "Signal",
"Value": {
"StringWithMarkup": [
{
"String": "Danger",
"Markup": [
{
"Start": 0,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
}
]
}
},
{
"ReferenceNumber": 151,
"Name": "GHS Hazard Statements",
"Value": {
"StringWithMarkup": [
{
"String": "H302: Harmful if swallowed [Warning Acute toxicity, oral]",
"Markup": [
{
"Start": 28,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]",
"Markup": [
{
"Start": 37,
"Length": 7,
"Type": "Color",
"Extra": "GHSWarning"
}
]
},
{
"String": "H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]",
"Markup": [
{
"Start": 81,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
},
{
"String": "H360: May damage fertility or the unborn child [Danger Reproductive toxicity]",
"Markup": [
{
"Start": 48,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
},
{
"String": "H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]",
"Markup": [
{
"Start": 31,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
},
{
"String": "H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]",
"Markup": [
{
"Start": 70,
"Length": 6,
"Type": "Color",
"Extra": "GHSDanger"
}
]
}
]
}
},
{
"ReferenceNumber": 151,
"Name": "Precautionary Statement Codes",
"Value": {
"StringWithMarkup": [
{
"String": "P203, P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P330, P337+P317, P342+P316, P403, P405, and P501"
},
{
"String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
"Markup": [
{
"Start": 64,
"Length": 18,
"URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Hazard Classes and Categories",
"Description": "The Hazard Classes and Categories are aligned with GHS (Globally Harmonized System of Classification and Labelling of Chemicals) hazard statement codes. The percentage data in the parenthesis from ECHA indicates that the hazard classes and categories information are consolidated from multiple companies. Also, see the detailed explanation from the above GHS classification section.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/",
"DisplayControls": {
"ShowAtMost": 2
},
"Information": [
{
"ReferenceNumber": 48,
"Value": {
"StringWithMarkup": [
{
"String": "Acute Tox. 4 (95.27%)"
},
{
"String": "Skin Irrit. 2 (21.62%)"
},
{
"String": "Eye Irrit. 2 (23.31%)"
},
{
"String": "STOT SE 3 (35.14%)"
}
]
}
},
{
"ReferenceNumber": 150,
"Value": {
"StringWithMarkup": [
{
"String": "Acute toxicity (Oral) - Category 4"
},
{
"String": "Skin corrosion/irritation - Category 3"
},
{
"String": "Serious eye damage/eye irritation - Category 2A"
},
{
"String": "Respiratory sensitization - Category 1"
},
{
"String": "Reproductive toxicity - Category 1A"
},
{
"String": "Specific target organ toxicity - Single exposure - Category 2 (lung, kidney, stomach)"
},
{
"String": "Specific target organ toxicity - Repeated exposure - Category 2 (liver, auditory organ, blood system, central nervous system)"
}
]
}
},
{
"ReferenceNumber": 151,
"Value": {
"StringWithMarkup": [
{
"String": "Acute toxicity (Oral) - Category 4"
},
{
"String": "Serious eye damage/eye irritation - Category 2A"
},
{
"String": "Respiratory sensitization - Category 1"
},
{
"String": "Reproductive toxicity - Category 1B, Additional category: Effects on or via lactation"
},
{
"String": "Specific target organ toxicity - Single exposure - Category 1 (central nervous system, stomach, liver, lung, )"
},
{
"String": "Specific target organ toxicity - Repeated exposure - Category 1 (blood system, central nervous system, stomach, liver, kidney, lung, )"
}
]
}
}
]
},
{
"TOCHeading": "Health Hazards",
"Description": "Description of the chemical's health hazards (e.g., toxicity, corrosivity, and flammability) that can have negative impacts on our short- or long-term health.",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Institute of Occupational Safety and Health. NIOSH Pocket Guide to Chemical Hazards (full website version). https://www.cdc.gov/niosh/npg."
],
"Value": {
"StringWithMarkup": [
{
"String": "Excerpt from NIOSH Pocket Guide for Acetylsalicylic acid:",
"Markup": [
{
"Start": 36,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
},
{
"String": "Exposure Routes: Inhalation, ingestion, skin and/or eye contact"
},
{
"String": "Symptoms: Irritation eyes, skin, upper respiratory system; increased blood clotting time; nausea, vomiting; liver, kidney injury"
},
{
"String": "Target Organs: Eyes, skin, respiratory system, blood, liver, kidneys (NIOSH, 2023)"
}
]
}
}
]
},
{
"TOCHeading": "Fire Hazards",
"Description": "Fire hazard means any situation, process, material or condition which may cause a fire or explosion or provide a ready fuel supply to increase the spread or intensity of the fire or explosion and which poses a threat to life or property. This section provides information on fire hazards involving this chemical.",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "This chemical is combustible. (NTP, 1992)"
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Combustible. Finely dispersed particles form explosive mixtures in air."
}
]
}
}
]
},
{
"TOCHeading": "Hazards Summary",
"Description": "This section provides an overview of the key hazards information of this compound.",
"Information": [
{
"ReferenceNumber": 55,
"Reference": [
"Olson - Olson KR (ed). Poisoning & Drug Overdose, 7th Ed. New York: Lange Medical Books/McGraw-Hill, 2018., p. 410-11"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin poisoning was one of the leading causes of accidental death in children until child-proof bottles were developed; After ingestion, causes stimulation of respiratory center in brain and metabolic acidosis; Prolongs prothrombin time and complicated by cerebral and pulmonary edema; 1 aspirin tablet = 325-650 mg acetylsalicylic acid; 1 teaspoon concentrated oil of wintergreen = 5 g of methyl salicylate (equivalent to 7.5 g of acetylsalicylic acid); Acute ingestion of 150-200 mg/kg aspirin = mild intoxication; Acute ingestion of 300-500 mg/kg aspirin = severe intoxication; [Olson, p. 410-11]",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 290,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 318,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 392,
"Length": 17,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/methyl%20salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-4133"
},
{
"Start": 434,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 490,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 552,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Fire Potential",
"Description": "This section describes fire potential of this chemical (e.g., whether it is combustible or flammable).",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 88"
],
"Value": {
"StringWithMarkup": [
{
"String": "SLIGHT WHEN EXPOSED TO HEAT OR FLAME"
}
]
}
}
]
},
{
"TOCHeading": "Skin, Eye, and Respiratory Irritations",
"Description": "Skin, eye and respiratory irritations caused by exposure to this chemical.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2007."
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin is an acute irritant to ... the skin and eyes. Direct contact with the eye is painful ...",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2007."
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin is a known respiratory ... allergen.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Safety and Hazard Properties",
"Description": "This section lists the chemical's safety and hazard characteristics, such as the explosive/flammable limits, critical temperature and pressure, exposure limits, etc.",
"Section": [
{
"TOCHeading": "Flammable Limits",
"Description": "The flammable limits (or the flammability limits) are the minimum and maximum concentrations of fuel vapor or gas in a fuel vapor or gas/gaseous oxidant mixture (usually expressed in percent by volume) defining the concentration range (flammable or explosive range) over which propagation of flame will occur on contact with an ignition source. Also called explosive (or explosivity) limits.",
"Information": [
{
"ReferenceNumber": 193,
"Name": "Flammability",
"Value": {
"StringWithMarkup": [
{
"String": "Combustible Powder; explosion hazard if dispersed in air."
}
]
}
}
]
},
{
"TOCHeading": "Physical Dangers",
"Description": "The possibility of physical injury or sickness that could result in grave physical harm or death. An example of physical dangers is fire/explosion due to raw materials.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Dust explosion possible if in powder or granular form, mixed with air."
}
]
}
}
]
},
{
"TOCHeading": "OSHA Standards",
"Description": "Occupational Safety and Health Administration (OSHA) standards are rules that describe the methods that employers must use to protect their employees from hazards. These standards limit the amount of hazardous chemicals workers can be exposed to, require the use of certain safe practices and equipment, and require employers to monitor hazards and keep records of workplace injuries and illnesses.",
"URL": "https://www.osha.gov/laws-regs",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 359"
],
"Value": {
"StringWithMarkup": [
{
"String": "Vacated 1989 OSHA PEL TWA 5 mg/cu m is still enforced in some states."
}
]
}
}
]
},
{
"TOCHeading": "NIOSH Recommendations",
"Description": "The National Institute for Occupational Safety and Health (NIOSH) recommendations for chemical safety concerning this compound.",
"URL": "https://www.cdc.gov/niosh/index.htm",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 5 mg/cu m."
}
]
}
}
]
}
]
},
{
"TOCHeading": "First Aid Measures",
"Description": "This section describes the initial care that should be given to an individual who has been exposed to the chemical. The information in this section includes the description of the symptoms or effects of exposure to the chemical, necessary first-aid instructions by relevant routes of exposure (inhalation, skin and eye contact, and ingestion), and recommendations for immediate medical care and special treatment needed, when necessary.",
"URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
"Section": [
{
"TOCHeading": "First Aid",
"Description": "First aid measures for exposure to this chemical through various routes (for example, ingestion, inhalation, skin contact, and eye contact).",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.",
"Markup": [
{
"Start": 96,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 105,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/normal%20saline",
"Type": "PubChem Internal Link",
"Extra": "CID-5234"
}
]
},
{
"String": "SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.",
"Markup": [
{
"Start": 43,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 166,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
},
{
"String": "INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing."
},
{
"String": "INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)",
"Markup": [
{
"Start": 105,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "(See procedures)",
"Markup": [
{
"Start": 1,
"Length": 14,
"URL": "https://www.cdc.gov/niosh/npg/firstaid.html"
}
]
},
{
"String": "Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.",
"Markup": [
{
"Start": 124,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
},
{
"String": "Skin: Soap wash - If this chemical contacts the skin, wash the contaminated skin with soap and water.",
"Markup": [
{
"Start": 96,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
},
{
"String": "Breathing: Respiratory support"
},
{
"String": "Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately."
}
]
}
}
]
},
{
"TOCHeading": "Inhalation First Aid",
"Description": "First aid measures for exposure to this chemical through inhalation.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Fresh air, rest. Refer for medical attention."
}
]
}
}
]
},
{
"TOCHeading": "Skin First Aid",
"Description": "First aid measures for exposure to this chemical through skin contact.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Rinse skin with plenty of water or shower. Refer for medical attention .",
"Markup": [
{
"Start": 26,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Eye First Aid",
"Description": "First aid measures for exposure to this chemical through eye contact.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.",
"Markup": [
{
"Start": 27,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Ingestion First Aid",
"Description": "First aid measures for exposure to this chemical through ingestion.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Rinse mouth. Refer for medical attention ."
}
]
}
}
]
}
]
},
{
"TOCHeading": "Fire Fighting",
"Description": "This section provides fire fighting information, including fire fighting procedures and hazards.",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)",
"Markup": [
{
"Start": 69,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/carbon%20dioxide",
"Type": "PubChem Internal Link",
"Extra": "CID-280"
},
{
"Start": 87,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Halon",
"Type": "PubChem Internal Link",
"Extra": "CID-6391"
},
{
"Start": 109,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Use water spray, powder, foam, carbon dioxide.",
"Markup": [
{
"Start": 4,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 31,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/carbon%20dioxide",
"Type": "PubChem Internal Link",
"Extra": "CID-280"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Accidental Release Measures",
"Description": "This section provides recommendations on the appropriate response to spills, leaks, or releases, including containment and cleanup practices to prevent or minimize exposure to people, properties, or the environment. It may also include recommendations distinguishing between responses for large and small spills where the spill volume has a significant impact on the hazard.",
"URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
"Section": [
{
"TOCHeading": "Isolation and Evacuation",
"Description": "Isolation and evacuation measures to take when a large amount of this chemical is accidentally released in an emergency.",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"U.S. Department of Transportation, Transport Canada, and Secretariat of Communications and Transport of Mexico, with collaboration from Argentina's Centro de Información Química para Emergencias. 2020 Emergency Response Guidebook. https://www.phmsa.dot.gov/training/hazmat/erg/emergency-response-guidebook-erg (accessed December 14, 2023)."
],
"Value": {
"StringWithMarkup": [
{
"String": "Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:"
},
{
"String": "IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids."
},
{
"String": "SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary."
},
{
"String": "FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2020)"
}
]
}
}
]
},
{
"TOCHeading": "Spillage Disposal",
"Description": "Methods for containment and safety measures to protect workers dealing with a spillage of this chemical.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations."
}
]
}
}
]
},
{
"TOCHeading": "Disposal Methods",
"Description": "Disposal methods or procedures for this chemical or hazardous waste containing it.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices."
}
]
}
}
]
},
{
"TOCHeading": "Preventive Measures",
"Description": "Preventive measures to take to avoid suffering negative health effects from this chemical.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Contact lenses should not be worn when working with this chemical."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "The worker should immediately wash the skin when it becomes contaminated."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning."
}
]
}
}
]
}
]
},
{
"TOCHeading": "Handling and Storage",
"Description": "This section provides guidance on the safe handling practices and storage conditions for this chemical. The information in this section includes precautions for safe handling, such as recommendations for handling incompatible chemicals, minimizing the release of the chemical into the environment, and providing advice on general hygiene practices (e.g., eating, drinking, and smoking in work areas is prohibited). In addition, this section provides recommendations on the conditions for safe storage (including any incompatibilities) as well as advice on specific storage requirements (e.g., ventilation requirements). ",
"URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
"Section": [
{
"TOCHeading": "Nonfire Spill Response",
"Description": "Emergency response measures to take in the event of a chemical spill (without a fire).",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.",
"Markup": [
{
"Start": 183,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ethanol",
"Type": "PubChem Internal Link",
"Extra": "CID-702"
},
{
"Start": 292,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ethanol",
"Type": "PubChem Internal Link",
"Extra": "CID-702"
},
{
"Start": 516,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ethanol",
"Type": "PubChem Internal Link",
"Extra": "CID-702"
},
{
"Start": 560,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
},
{
"String": "STORAGE PRECAUTIONS: You should store this material under ambient temperatures and protect it from moisture. (NTP, 1992)"
}
]
}
}
]
},
{
"TOCHeading": "Safe Storage",
"Description": "Measures to take for safe storage of this chemical.",
"URL": "https://www.ncbi.nlm.nih.gov/books/NBK379129/",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Well closed."
}
]
}
}
]
},
{
"TOCHeading": "Storage Conditions",
"Description": "Conditions for safe storage of this compound, including any incompatible chemicals and specific storage requirements (e.g., ventilation requirements).",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"McEvoy, G.K. (ed.). AHFS Drug Information 90. Bethesda, MD: American Society of Hospital Pharmacists, Inc., 1990 (Plus Supplements 1990)., p. 998"
],
"Value": {
"StringWithMarkup": [
{
"String": "Chewable aspirin tablets containing 81 mg of the drug should be stored in child-resistant containers holding not more than 36 tablets each in order to limit the potential toxicity associated with accidental ingestion in children. Aspirin suppositories should be stored at 2-15 °C.",
"Markup": [
{
"Start": 9,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 230,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Exposure Control and Personal Protection",
"Description": "This section provides information on the exposure limits, engineering controls, and personal protective measures that can be used to minimize worker exposure. The information in this section includes OSHA Permissible Exposure Limits (PELs), American Conference of Governmental Industrial Hygienists (ACGIH) Threshold Limit Values (TLVs), and any other exposure limit used or recommended by the chemical manufacturer, importer, or employer preparing the safety data sheet, where available. In addition, this section contains information on appropriate engineering controls (e.g., use local exhaust ventilation, or use only in an enclosed system) as well as recommendations for personal protective measures to prevent illness or injury from exposure to chemicals, such as personal protective equipment (PPE) (e.g., appropriate types of eye, face, skin or respiratory protection needed based on hazards and potential exposure).",
"URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
"Section": [
{
"TOCHeading": "Recommended Exposure Limit (REL)",
"Description": "The recommended exposure limit (REL) is the maximum amount or concentration of a chemical that a worker may be exposed to. The RELs are guidelines established and recommended by the NIOSH (National Institute for Occupational Safety and Health). The RELs can be given in three ways. [1] Time-weighted average (REL-TWA): average exposure based on up to10h/day, 40h/week work schedule. [2] Short-term exposure limit (REL-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday. [3] Ceiling limit (REL-C): absolute exposure limit that should not be exceeded at any time.",
"URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#exposure",
"Information": [
{
"ReferenceNumber": 155,
"Name": "REL-TWA (Time Weighted Average)",
"Value": {
"StringWithMarkup": [
{
"String": "5 mg/m³"
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "TWA 5 mg/m3",
"Markup": [
{
"Start": 10,
"Length": 1,
"Type": "Superscript"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Permissible Exposure Limit (PEL)",
"Description": "The permissible exposure limit (PEL) is the maximum amount or concentration of a chemical that a worker may be exposed to under OSHA regulations. The PEL can be given in three ways. [1] Time-weighted average (PEL-TWA): average exposure based on an 8h/day, 40h/week work schedule. [2] Short-term exposure limit (PEL-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday. [3] Ceiling limit (PEL-C): absolute exposure limit that should not be exceeded at any time.",
"URL": "https://www.osha.gov/annotated-pels/",
"Information": [
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "none See Appendix G",
"Markup": [
{
"Start": 5,
"Length": 14,
"URL": "https://www.cdc.gov/niosh/npg/nengapdxg.html"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Immediately Dangerous to Life or Health (IDLH)",
"Description": "The Immediately Dangerous to Life or Health air concentration values (IDLH values) characterize high-risk exposure concentrations and conditions and are used as a component of respirator selection criteria. IDLH values are established (1) to ensure that the worker can escape from a given contaminated environment in the event of failure of the respiratory protection equipment and (2) to indicate a maximum level above which only a highly reliable breathing apparatus, providing maximum worker protection, is permitted.",
"URL": "https://www.cdc.gov/niosh/idlh/default.html",
"Information": [
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "N.D."
},
{
"String": "See: IDLH INDEX ",
"Markup": [
{
"Start": 5,
"Length": 11,
"URL": "https://www.cdc.gov/niosh/idlh/intridl4.html"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Threshold Limit Values (TLV)",
"Description": "The threshold limit value (TLV) of a chemical is an airborne concentration at which a worker can be exposed day after day for a working lifetime without adverse effect. There are three types of TLVs for chemicals. [1] Threshold limit value - time-weighted average (TLV-TWA): average exposure on the basis of a 8h/day, 40h/week work schedule. [2] Threshold limit value - short-term exposure limit (TLV-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday, even if the 8-hour TWA is within the TLV-TWA. [3] Threshold limit value - ceiling limit (TLV-C): absolute exposure limit that should not be exceeded at any time. TLVs are developed by the American Conference of Governmental Industrial Hygienist. While TLVs are widely accepted occupational exposure limits, they are not standards enforced by the U.S. Government.",
"URL": "https://www.acgih.org/science/tlv-bei-guidelines/tlv-chemical-substances-introduction/",
"Information": [
{
"ReferenceNumber": 55,
"Value": {
"StringWithMarkup": [
{
"String": "5.0 [mg/m3]"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2007, p. 10"
],
"Value": {
"StringWithMarkup": [
{
"String": "8 hr Time Weighted Avg (TWA): 5 mg/cu m."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2007, p. 5"
],
"Value": {
"StringWithMarkup": [
{
"String": "Excursion Limit Recommendation: Excursions in worker exposure levels may exceed three times the TLV-TWA for no more than a total of 30 min during a work day, and under no circumstances should they exceed five times the TLV-TWA, provided that the TLV-TWA is not exceeded."
}
]
}
},
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "5 mg/m"
}
]
}
},
{
"ReferenceNumber": 155,
"Name": "TLV-TWA (Time Weighted Average)",
"Value": {
"StringWithMarkup": [
{
"String": "5 mg/m³ [1977]"
}
]
}
}
]
},
{
"TOCHeading": "Inhalation Risk",
"Description": "Risk of exposure to this chemical through inhalation. Note that the terms \"risk\" and \"hazard\" have different meanings. A hazard is something that has the potential to cause harm, while risk is the likelihood of harm taking place, based on exposure to that hazard.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered."
}
]
}
}
]
},
{
"TOCHeading": "Effects of Short Term Exposure",
"Description": "This section provides health effects of short-term exposure to this compound. The short-term exposure (also called acute exposure) is a short contact with a chemical. It may last a few seconds or a few hours. For example, it might take a few minutes to clean windows with ammonia, use nail polish remover or spray a can of paint. The fumes someone might inhale during these activities are examples of acute exposures.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "The substance is irritating to the eyes, skin and respiratory tract. Ingestion of large amounts could cause effects on the blood and central nervous system."
}
]
}
}
]
},
{
"TOCHeading": "Effects of Long Term Exposure",
"Description": "This section provides health effects of long-term exposure to this compound. The long-term exposure (also called chronic exposure) is continuous or repeated contact with a toxic chemical over a long period of time (months or years). If a chemical is used every day on the job, the exposure would be chronic. Over time, some chemicals, such as PCBs and lead, can build up in the body. Chronic exposures can also occur at home. Some chemicals in household furniture, carpeting or cleaners can be sources of chronic exposure.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Animal tests show that this substance possibly causes toxic effects upon human reproduction."
}
]
}
}
]
},
{
"TOCHeading": "Personal Protective Equipment (PPE)",
"Description": "Personal protective equipment (PPE) to use when handling this chemical.",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Institute of Occupational Safety and Health. NIOSH Pocket Guide to Chemical Hazards (full website version). https://www.cdc.gov/niosh/npg."
],
"Value": {
"StringWithMarkup": [
{
"String": "Excerpt from NIOSH Pocket Guide for Acetylsalicylic acid:",
"Markup": [
{
"Start": 36,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
},
{
"String": "Skin: PREVENT SKIN CONTACT - Wear appropriate personal protective clothing to prevent skin contact."
},
{
"String": "Eyes: PREVENT EYE CONTACT - Wear appropriate eye protection to prevent eye contact."
},
{
"String": "Wash skin: WHEN CONTAMINATED - The worker should immediately wash the skin when it becomes contaminated."
},
{
"String": "Remove: No recommendation is made specifying the need for removing clothing that becomes wet or contaminated."
},
{
"String": "Change: DAILY - Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises."
},
{
"String": "Provide:"
},
{
"String": "• EYEWASH - Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substances; this is irrespective of the recommendation involving the wearing of eye protection."
},
{
"String": "• QUICK DRENCH - Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.] (NIOSH, 2023)",
"Markup": [
{
"Start": 254,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 558,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Wear appropriate personal protective clothing to prevent skin contact."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Wear appropriate eye protection to prevent eye contact."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Eyewash fountains should be provided in areas where there is any possbility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection."
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities should provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.]",
"Markup": [
{
"Start": 244,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 548,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "(See protection codes)",
"Markup": [
{
"Start": 1,
"Length": 20,
"URL": "https://www.cdc.gov/niosh/npg/protect.html"
}
]
},
{
"String": "Skin: Prevent skin contact - Wear appropriate personal protective clothing to prevent skin contact."
},
{
"String": "Eyes: Prevent eye contact - Wear appropriate eye protection to prevent eye contact."
},
{
"String": "Wash skin: When contaminated"
},
{
"String": "Remove: No recommendation"
},
{
"String": "Change: Daily - Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises."
},
{
"String": "Provide: Eyewash, Quick drench"
}
]
}
}
]
},
{
"TOCHeading": "Respirator Recommendations",
"Description": "This section provides a list of allowable respirators to be used for this chemical, according to the NIOSH's Respirator Selection Recommendations.",
"URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#mustread",
"Information": [
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "Important additional information about respirator selection",
"Markup": [
{
"Start": 0,
"Length": 59,
"URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#mustread"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Fire Prevention",
"Description": "Precautionary measures to prevent fires from this chemical.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust."
}
]
}
}
]
},
{
"TOCHeading": "Exposure Prevention",
"Description": "Prevention measures to avoid exposure to this chemical through various routes (for example, ingestion, inhalation, skin contact, and eye contact).",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "PREVENT DISPERSION OF DUST!"
}
]
}
}
]
},
{
"TOCHeading": "Inhalation Prevention",
"Description": "Precautionary measures to avoid inhalation of this chemical.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Use ventilation (not if powder)."
}
]
}
}
]
},
{
"TOCHeading": "Skin Prevention",
"Description": "Precautionary measures to avoid skin exposure to this chemical.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Protective gloves."
}
]
}
}
]
},
{
"TOCHeading": "Eye Prevention",
"Description": "Precautionary measures to avoid eye exposure to this chemical.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Wear safety goggles."
}
]
}
}
]
},
{
"TOCHeading": "Ingestion Prevention",
"Description": "Precautionary measures to avoid ingestion of this chemical.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Do not eat, drink, or smoke during work."
}
]
}
}
]
}
]
},
{
"TOCHeading": "Stability and Reactivity",
"Description": "This section describes the stability and reactivity hazards of the chemical. For some compounds, related information may also be found in the \"Stability/Shelf Life\" section under Experimental Properties (if available).",
"URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
"Section": [
{
"TOCHeading": "Air and Water Reactions",
"Description": "Special alerts if this chemical reacts with air, water, or moisture. ",
"Information": [
{
"ReferenceNumber": 4,
"Value": {
"StringWithMarkup": [
{
"String": "Slowly hydrolyzes in moist air. Has been involved in dust cloud explosions. Water insoluble. Solution in water is acid to methyl red indicator.",
"Markup": [
{
"Start": 76,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 105,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 122,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/methyl%20red",
"Type": "PubChem Internal Link",
"Extra": "CID-10303"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Reactive Group",
"Description": "List of reactive groups that this chemical belongs to, according to CAMEO Chemicals at the U.S. National Oceanic and Atmospheric Administration (NOAA).",
"URL": "https://cameochemicals.noaa.gov/help/reactivity/reactive_groups.htm",
"Information": [
{
"ReferenceNumber": 4,
"Value": {
"StringWithMarkup": [
{
"String": "Acids, Carboxylic"
},
{
"String": "Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters",
"Markup": [
{
"Start": 24,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Phosphate",
"Type": "PubChem Internal Link",
"Extra": "CID-21226077"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Reactivity Profile",
"Description": "Description of the chemical's potential reactivity with other chemicals, air, and water. Also it includes any other intrinsic reactive hazards (such as polymerizable or peroxidizable).",
"Information": [
{
"ReferenceNumber": 4,
"Reference": [
"National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
],
"Value": {
"StringWithMarkup": [
{
"String": "The active ingredient in common aspirin. Incompatible with oxidizers and strong acids. Also incompatible with strong bases. May react with water or nucleophiles (e.g. amines and hydroxy groups). May also react with acetanilide, amidopyrine, phenazone, hexamine, iron salts, phenobarbitone sodium, quinine salts, potassium and sodium iodides, alkali hydroxides, carbonates, stearates and paracetanol. (NTP, 1992)",
"Markup": [
{
"Start": 32,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 139,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 178,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydroxy",
"Type": "PubChem Internal Link",
"Extra": "CID-961"
},
{
"Start": 215,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetanilide",
"Type": "PubChem Internal Link",
"Extra": "CID-904"
},
{
"Start": 228,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/amidopyrine",
"Type": "PubChem Internal Link",
"Extra": "CID-6009"
},
{
"Start": 241,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phenazone",
"Type": "PubChem Internal Link",
"Extra": "CID-2206"
},
{
"Start": 252,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hexamine",
"Type": "PubChem Internal Link",
"Extra": "CID-4101"
},
{
"Start": 262,
"Length": 4,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
"Type": "PubChem Internal Link",
"Extra": "Element-Iron"
},
{
"Start": 274,
"Length": 21,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phenobarbitone%20sodium",
"Type": "PubChem Internal Link",
"Extra": "CID-23674889"
},
{
"Start": 297,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/quinine",
"Type": "PubChem Internal Link",
"Extra": "CID-3034034"
},
{
"Start": 312,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Potassium",
"Type": "PubChem Internal Link",
"Extra": "Element-Potassium"
},
{
"Start": 387,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/paracetanol",
"Type": "PubChem Internal Link",
"Extra": "CID-1983"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Hazardous Reactivities and Incompatibilities",
"Description": "This compound may undergo hazardous reactions with other chemicals. Therefore, it is considered incompatible with those chemicals and should not be used with them.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Solutions of alkali hydroxides or carbonates, strong oxidizers, moisture [Note: Slowly hydrolyzes in moist air to salicyclic & acetic acids].",
"Markup": [
{
"Start": 114,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic",
"Type": "PubChem Internal Link",
"Extra": "CID-73952057"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Transport Information",
"Description": "Transport information lists the U.S. Department of Transportation (DOT) requirements and related information for shipping and transporting of hazardous chemical(s) by road, air, rail, or sea.",
"URL": "https://www.phmsa.dot.gov/hazmat/erg/emergency-response-guidebook-erg",
"Section": [
{
"TOCHeading": "DOT Label",
"Description": "U.S. Department of Transportation (DOT) hazard warning label for the chemical (such as flammable liquid or corrosive). This label must be displayed on shipped packages, railroad tank cars, and tank trucks according to specifications described in 49 CFR 172.",
"URL": "https://www.govinfo.gov/content/pkg/CFR-2020-title49-vol2/pdf/CFR-2020-title49-vol2-part172.pdf",
"Information": [
{
"ReferenceNumber": 4,
"Value": {
"StringWithMarkup": [
{
"String": "Poison"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Regulatory Information",
"Description": "This section lists the regulations related to the safety, health, and environment of the chemical and its associated products. The regulatory information, which may encompass national and/or regional regulations pertaining to the chemical or mixtures, is presented solely for informational purposes. For additional details, please consult the links to the information sources provided under each data entry.",
"Information": [
{
"ReferenceNumber": 2,
"Name": "The Australian Inventory of Industrial Chemicals",
"Value": {
"StringWithMarkup": [
{
"String": "Chemical: Benzoic acid, 2-(acetyloxy)-",
"Markup": [
{
"Start": 10,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Benzoic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-243"
}
]
}
]
}
},
{
"ReferenceNumber": 49,
"Name": "REACH Registered Substance",
"Value": {
"StringWithMarkup": [
{
"String": "Status: Active Update: 02-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10841",
"Markup": [
{
"Start": 34,
"Length": 70,
"URL": "https://echa.europa.eu/registration-dossier/-/registered-dossier/10841"
}
]
},
{
"String": "Status: Active Update: 27-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/7490",
"Markup": [
{
"Start": 34,
"Length": 69,
"URL": "https://echa.europa.eu/registration-dossier/-/registered-dossier/7490"
}
]
}
]
}
},
{
"ReferenceNumber": 141,
"Name": "New Zealand EPA Inventory of Chemical Status",
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid: Does not have an individual approval but may be used under an appropriate group standard",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Other Safety Information",
"Description": "Miscellaneous safety information for this chemical that is not shown in other sections, such as history, incidents, special reports, and so on.",
"Information": [
{
"ReferenceNumber": 1,
"Name": "Chemical Assessment",
"Value": {
"StringWithMarkup": [
{
"String": "IMAP assessments - Benzoic acid, 2-(acetyloxy)-: Environment tier I assessment",
"Markup": [
{
"Start": 19,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Benzoic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-243"
}
]
},
{
"String": "IMAP assessments - Benzoic acid, 2-(acetyloxy)-: Human health tier I assessment",
"Markup": [
{
"Start": 19,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Benzoic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-243"
}
]
}
]
}
}
],
"Section": [
{
"TOCHeading": "Special Reports",
"Description": "Special reports on the safety and hazard of this chemical. Most of them are government documents and review articles.",
"Information": [
{
"ReferenceNumber": 56,
"Value": {
"StringWithMarkup": [
{
"String": "International Programme on Chemical Safety; Poisons Information Monograph: Acetylsalicylic Acid (PIM 006) (1991) Available from http://www.inchem.org/pages/pims.html as of March 10, 2008",
"Markup": [
{
"Start": 75,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20Acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
}
]
},
{
"TOCHeading": "Toxicity",
"Description": "Toxicity information related to this compound, including routes of exposure, related symptoms, acute and chronic effects, and numerical measures of toxicity.",
"Section": [
{
"TOCHeading": "Toxicological Information",
"Description": "This section provides toxicological and health effects information for the chemical. It includes the likely routes of exposure (inhalation, ingestion, skin and eye contact), and the delayed, immediate, or chronic effects/symptoms from short- and long-term exposure, and the numerical measures of toxicity [e.g., acute toxicity estimates such as the LD50 (median lethal dose, the estimated amount of a chemical expected to kill 50% of test animals in a single dose)]. This section also includes information on whether the chemical is considered as a potential carcinogen according to authoritative sources such as the National Toxicology Program (NTP) Report on Carcinogens and the International agency for Research on Cancer (IARC) Monographs.",
"Section": [
{
"TOCHeading": "Toxicity Summary",
"Description": "Summary of the toxicity of this compound, provided by the Hazardous Substances Data Bank (HSDB) and other sources.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"International Programme on Chemical Safety; Poisons Information Monograph: Acetylsalicylic Acid (PIM 006) (1991) Available from, as of May 3, 2005: https://www.inchem.org/pages/pims.html"
],
"Value": {
"StringWithMarkup": [
{
"String": "IDENTIFICATION: Acetylsalicylic acid is colorless or white crystals or white crystalline powder or granules; odorless or almost odorless with a slight acid taste. It is soluble in water. Indications: It is used as an analgesic for the treatment of mild to moderate pain, as an anti-inflammatory agent for the treatment of soft tissue and joint inflammation, and as an antipyretic drug. In low doses salicylate is used for the prevention of thrombosis. HUMAN EXPOSURE: The toxic effects of salicylate are complex. The following appear to be the principal primary effects of salicylate in overdose: Stimulation of the respiratory center; inhibition of citric acid cycle (carbohydrate metabolism); stimulation of lipid metabolism; inhibition of amino acid metabolism; and uncoupling of oxidative phosphorylation. Respiratory alkalosis, metabolic acidosis, water and electrolyte loss occur as the principal secondary consequences of salicylate intoxication. Central nervous system toxicity (including tinnitus, hearing-loss, convulsions and coma), hypoprothrombinemia and non-cardiogenic pulmonary edema may also occur, though for some the mechanism remains uncertain. Target organs: The target organs are: all tissues (whose cellular metabolism is affected), but in particular the liver, kidneys, lungs and the VIIIth cranial nerve. Summary of clinical effects: the following are symptoms of intoxication: Nausea, vomiting, epigastric discomfort, gastrointestinal bleeding (typically with chronic and rarely with acute intoxication); tachypnea and hyperpnea; tinnitus, deafness, sweating, vasodilatation, hyperpyrexia (rare), dehydration; irritability, tremor, blurring of vision, subconjunctival haemorrhages. The following are the effects on blood glucose: hyper- or hypoglycemia; effects on blood: hypoprothrombinemia; effects on liver: increased serum aminotransferase activities (SGOT and SGPT). Non-cardiogenic pulmonary edema; confusion, delirium, stupor, asterixis, coma, cerebral edema (with severe intoxication only); acute renal failure; cardio-respiratory arrest (with severe intoxication only). Absorption by route of exposure: After oral administration, 80 - 100% will be absorbed in the stomach and in the small intestine. However, bioavailability is lower because partial hydrolysis occurs during absorption and there is a \"first-pass\" effect in the liver. The non-protein bound fraction of salicylate increases with the total plasma concentration, and the binding capacity of albumin is partially saturated at therapeutic concentrations of salicylate. The greater proportion of unbound drug found at high concentrations will mean that greater toxicity will result than would be expected from the total salicylate concentration. Absorption after rectal administration is slow and unpredictable. Timed-release preparations are therapeutically of limited value because of the prolonged half-life of elimination of salicylate. Contraindications: Acetylsalicylic acid is contraindicated for the following: Absorption of enteric-coated tablets is sometimes incomplete. Active peptic ulcer, febrile/post-febrile illness in children, hemostatic disorders, including anticoagulant and thrombolytic treatment, hypoproteinemia; hypersensitivity; and asthma induced by acetylsalicylic acid or other non-steroidal anti-inflammatory drugs. Caution is indicated in patients with: a history of peptic ulceration or gastro-intestinal hemorrhage, hepatic or renal insufficiency, asthma, children < 2 years, especially in those who are dehydrated Routes of entry: The route of entry is oral. Distribution by route of exposure: Salicylic acid is a weak acid; following oral administration, almost all salicylate is found in the unionized form in the stomach. About 50 - 80% of salicylate in the blood is bound by protein while the rest remain in the active, ionized state; protein binding is concentration-dependent. Saturation of binding sites leads to more free salicylate and increased toxicity. Metabolism: approximately 80% of small doses of salicylic acid is metabolised in the liver. Conjugation with glycine forms salicyluric acid and with glucuronic acid forms salicyl acyl and phenolic glucuronide. These metabolic pathways have only a limited capacity. Small amounts of salicylic acid are also hydroxylated to gentisic acid. With large salicylate doses the kinetics switch from first order to zero order. Elimination by route of exposure: salicylates are excreted mainly by the kidney as salicyluric acid, free salicylic acid, salicylic phenol and acyl glucuronides, and gentisic acid.",
"Markup": [
{
"Start": 17,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 182,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 402,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 492,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 577,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 655,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/citric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-311"
},
{
"Start": 859,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 935,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 1757,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose",
"Type": "PubChem Internal Link",
"Extra": "CID-5793"
},
{
"Start": 2416,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 2566,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 2729,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 2939,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 2971,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 3286,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "The analgesic, antipyretic, and anti-inflammatory effects of acetylsalicylic acid are due to actions by both the acetyl and the salicylate portions of the intact molecule as well as by the active salicylate metabolite. Acetylsalicylic acid directly and irreversibly inhibits the activity of both types of cyclooxygenase (COX-1 and COX-2) to decrease the formation of precursors of prostaglandins and thromboxanes from arachidonic acid. This makes acetylsalicylic acid different from other NSAIDS (such as diclofenac and ibuprofen) which are reversible inhibitors. Salicylate may competitively inhibit prostaglandin formation. Acetylsalicylic acid's antirheumatic (nonsteroidal anti-inflammatory) actions are a result of its analgesic and anti-inflammatory mechanisms; the therapeutic effects are not due to pituitary-adrenal stimulation. The platelet aggregation-inhibiting effect of acetylsalicylic acid specifically involves the compound's ability to act as an acetyl donor to cyclooxygenase; the nonacetylated salicylates have no clinically significant effect on platelet aggregation. Irreversible acetylation renders cyclooxygenase inactive, thereby preventing the formation of the aggregating agent thromboxane A2 in platelets. Since platelets lack the ability to synthesize new proteins, the effects persist for the life of the exposed platelets (7-10 days). Acetylsalicylic acid may also inhibit production of the platelet aggregation inhibitor, prostacyclin (prostaglandin I2), by blood vessel endothelial cells; however, inhibition prostacyclin production is not permanent as endothelial cells can produce more cyclooxygenase to replace the non-functional enzyme.",
"Markup": [
{
"Start": 61,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 128,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 196,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 219,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 418,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/arachidonic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-444899"
},
{
"Start": 447,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 505,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diclofenac",
"Type": "PubChem Internal Link",
"Extra": "CID-3033"
},
{
"Start": 520,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ibuprofen",
"Type": "PubChem Internal Link",
"Extra": "CID-3672"
},
{
"Start": 564,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 626,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 884,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1204,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/thromboxane%20A2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280497"
},
{
"Start": 1365,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1453,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostacyclin",
"Type": "PubChem Internal Link",
"Extra": "CID-5282411"
},
{
"Start": 1467,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostaglandin%20I2",
"Type": "PubChem Internal Link",
"Extra": "multiple-CIDs"
},
{
"Start": 1541,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostacyclin",
"Type": "PubChem Internal Link",
"Extra": "CID-5282411"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Hepatotoxicity",
"Description": "This section provides a short description about the hepatotoxicity associated with this compound, the rate of serum enzyme elevations during use, and the frequency and character of the clinically apparent liver injury associated with the compound.",
"Information": [
{
"ReferenceNumber": 81,
"Value": {
"StringWithMarkup": [
{
"String": "Patients on long term, moderate-to-high dose aspirin therapy frequently have elevations in serum ALT levels. With high doses, ALT elevations are common and can be marked and associated with mild increases in alkaline phosphatase and bilirubin. The more dramatic examples of aspirin hepatotoxicity usually occur with doses of 1,800 to 3,200 mg daily (>100 mg/kg) and with salicylate levels of greater than 25 mg/dL, but mild-to-moderate ALT elevations occur with even lower doses and lower serum levels. These abnormalities resolve rapidly with discontinuation of aspirin, but instances of resolution despite continuation of aspirin in the same or lower doses (adaptation) have also been described. The hepatotoxicity of aspirin is usually mild and asymptomatic, although with higher doses symptoms of nausea, anorexia and abdominal pain and even encephalopathy with signs of hepatic dysfunction (hyperammonemia and coagulopathy) can occur. Bilirubin elevations are usually mild or absent. Mild eosinophilia may accompany the enzyme elevations, but rash, fever and other allergic manifestations are rare. Liver biopsy histology generally shows minimal injury despite the height of the enzyme elevations; electron microscopy may reveal fat and mitochondrial abnormalities. Aspirin can often be continued in lower doses safely.",
"Markup": [
{
"Start": 45,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 233,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/bilirubin",
"Type": "PubChem Internal Link",
"Extra": "CID-5280352"
},
{
"Start": 274,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 371,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 563,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 624,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 720,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 940,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Bilirubin",
"Type": "PubChem Internal Link",
"Extra": "CID-5280352"
},
{
"Start": 1271,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
},
{
"String": "Likelihood score: A[HD] (well known cause of clinically apparent liver injury when given in high doses)."
}
]
}
}
]
},
{
"TOCHeading": "Drug Induced Liver Injury",
"Description": "This compound's potential to cause drug-induced liver injury. This information is from the FDA's Drug-Induced Liver Injury Rank (DILIrank) dataset. DILIrank groups more than 1,000 FDA-approved drugs into 4 categories (most-, less-, no-, and ambiguous-DILI-concerns). DILIrank assigns a severity grade, ranging from 0 (no-DILI-concern) to 8 (fatal hepatotoxicity).",
"URL": "https://www.fda.gov/science-research/liver-toxicity-knowledge-base-ltkb/drug-induced-liver-injury-rank-dilirank-dataset",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
}
},
"Information": [
{
"ReferenceNumber": 31,
"Name": "Compound",
"Value": {
"StringWithMarkup": [
{
"String": "aspirin"
}
]
}
},
{
"ReferenceNumber": 31,
"Name": "DILI Annotation",
"Value": {
"StringWithMarkup": [
{
"String": "Less-DILI-Concern"
}
]
}
},
{
"ReferenceNumber": 31,
"Name": "Label Section",
"Value": {
"StringWithMarkup": [
{
"String": "No match"
}
]
}
},
{
"ReferenceNumber": 31,
"Name": "References",
"Value": {
"StringWithMarkup": [
{
"String": "M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. FDA-Approved Drug Labeling for the Study of Drug-Induced Liver Injury, Drug Discovery Today, 16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007",
"Markup": [
{
"Start": 165,
"Length": 13,
"URL": "https://pubmed.ncbi.nlm.nih.gov/21624500/"
},
{
"Start": 179,
"Length": 32,
"URL": "https://doi.org/10.1016/j.drudis.2011.05.007"
}
]
},
{
"String": "M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans. Drug Discov Today 2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015",
"Markup": [
{
"Start": 202,
"Length": 13,
"URL": "https://pubmed.ncbi.nlm.nih.gov/26948801/"
},
{
"Start": 216,
"Length": 32,
"URL": "https://doi.org/10.1016/j.drudis.2016.02.015"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Carcinogen Classification",
"Description": "This section provides the International Agency for Research on Cancer (IARC) Carcinogenic Classification and related monograph links. In the IARC Carcinogenic classification, chemicals are categorized into four groups: Group 1 (carcinogenic to humans), Group 2A (probably carcinogenic to humans), Group 2B (possibly carcinogenic to humans), and Group 3 (not classifiable as to its carcinogenicity to humans).",
"URL": "https://monographs.iarc.who.int/agents-classified-by-the-iarc/",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "ThisSection",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
}
},
"Information": [
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "No indication of carcinogenicity to humans (not listed by IARC)."
}
]
}
}
]
},
{
"TOCHeading": "Health Effects",
"Description": "Principal effect(s) of exposure to each substance, listed by OSHA Health Code, Health Effects from various sources.",
"Information": [
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "Might increase the risk of gastrointestinal bleeding; large doses of salicylate, a metabolite of aspirin, have been proposed to cause tinnitus; Reye's syndrome, a severe illness characterized by acute encephalopathy and fatty liver, can occur when children or adolescents are given aspirin for a fever or other illnesses or infections. [Wikipedia]",
"Markup": [
{
"Start": 69,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 97,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 282,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Effects During Pregnancy and Lactation",
"Description": "Drug effects during pregnancy and lactation.",
"Information": [
{
"ReferenceNumber": 33,
"Value": {
"StringWithMarkup": [
{
"String": "◉ Summary of Use during Lactation"
},
{
"String": "After aspirin ingestion, salicylic acid is excreted into breastmilk, with higher doses resulting in disproportionately higher milk levels. Long-term, high-dose maternal aspirin ingestion probably caused metabolic acidosis in one breastfed infant. Reye's syndrome is associated with aspirin administration to infants with viral infections, but the risk of Reye's syndrome from salicylate in breastmilk is unknown. An alternate drug is preferred over continuous high-dose, aspirin therapy. After daily low-dose aspiring (75 to 325 mg daily), no aspirin is excreted into breastmilk and salicylate levels are low. Daily low-dose aspirin therapy may be considered as an antiplatelet drug for use in breastfeeding women. If it is used by a nursing mother, monitor the infant for bruising and bleeding.",
"Markup": [
{
"Start": 6,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 25,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 169,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 282,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 376,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 471,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 543,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 583,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 625,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
},
{
"String": "◉ Effects in Breastfed Infants"
},
{
"String": "One case report of metabolic acidosis was caused by salicylate in a 16-day old breastfed infant whose mother was taking aspirin 650 mg every 4 hours for arthritis. However, there was no measurement of salicylate in maternal serum or milk and it is unclear whether the infant had received any salicylate directly.",
"Markup": [
{
"Start": 52,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 120,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 201,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 292,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
},
{
"String": "Thrombocytopenia, fever, anorexia and petechiae occurred in a 5-month-old breastfed infant 5 days after her mother started taking aspirin for fever. One week after recovery, the infant was given a single dose of aspirin 125 mg and the platelet count dropped once again. The original symptoms were probably caused by aspirin or salicylate in breastmilk.",
"Markup": [
{
"Start": 130,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 212,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 316,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 327,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
},
{
"String": "Hemolysis after aspirin and phenacetin taken by the mother of a 23-day-old, glucose-6-phosphate dehydrogenase (G6PD) deficient infant was possibly due to aspirin in breastmilk.",
"Markup": [
{
"Start": 16,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 28,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phenacetin",
"Type": "PubChem Internal Link",
"Extra": "CID-4754"
},
{
"Start": 76,
"Length": 19,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose-6-phosphate",
"Type": "PubChem Internal Link",
"Extra": "CID-5958"
},
{
"Start": 154,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
},
{
"String": "In a telephone follow-up study, mothers reported no side effects among 15 infants exposed to aspirin (dosages and infant ages were unspecified) in breastmilk.",
"Markup": [
{
"Start": 93,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
},
{
"String": "◉ Effects on Lactation and Breastmilk"
},
{
"String": "Relevant published information was not found as of the revision date."
}
]
}
}
]
},
{
"TOCHeading": "Exposure Routes",
"Description": "The way people or other living organisms may come into contact with a hazardous chemical. Examples of common exposure routes are inhalation, ingestion, skin/eye contact.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "The substance can be absorbed into the body by inhalation and by ingestion."
}
]
}
},
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "inhalation, ingestion, skin and/or eye contact"
}
]
}
},
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "Absorption is generally rapid and complete following oral administration but may vary according to specific salicylate used, dosage form, and other factors such as tablet dissolution rate and gastric or intraluminal pH.",
"Markup": [
{
"Start": 108,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Symptoms",
"Description": "Symptoms of exposure to this chemical through various routes (for example, ingestion, inhalation, skin contact, and eye contact).",
"Information": [
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "irritation eyes, skin, upper respiratory system; increased blood clotting time; nausea, vomiting; liver, kidney injury"
}
]
}
},
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "Effects of overdose include: tinnitus, abdominal pain, hypokalemia, hypoglycemia, pyrexia, hyperventilation, dysrhythmia, hypotension, hallucination, renal failure, confusion, seizure, coma, and death."
}
]
}
}
]
},
{
"TOCHeading": "Inhalation Symptoms",
"Description": "Symptoms of exposure to this chemical through inhalation.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Cough. Sore throat."
}
]
}
}
]
},
{
"TOCHeading": "Skin Symptoms",
"Description": "Symptoms of exposure to this chemical through skin contact.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Redness."
}
]
}
}
]
},
{
"TOCHeading": "Eye Symptoms",
"Description": "Symptoms of exposure to this chemical through eye contact",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Redness. Pain."
}
]
}
}
]
},
{
"TOCHeading": "Ingestion Symptoms",
"Description": "Symptoms of exposure to this chemical through ingestion.",
"Information": [
{
"ReferenceNumber": 74,
"Value": {
"StringWithMarkup": [
{
"String": "Nausea. Vomiting."
}
]
}
}
]
},
{
"TOCHeading": "Target Organs",
"Description": "Organs that are affected by exposure to this chemical. Information in this section reflects human data unless otherwise noted.",
"Information": [
{
"ReferenceNumber": 193,
"Value": {
"StringWithMarkup": [
{
"String": "Eyes, skin, respiratory system, blood, liver, kidneys"
}
]
}
}
]
},
{
"TOCHeading": "Acute Effects",
"Description": "The results from acute animal tests and/or acute human studies are presented in this section. Acute animal studies consist of LD50 and LC50 tests, which present the median lethal dose (or concentration) to the animals. Acute human studies usually consist of case reports from accidental poisonings or industrial accidents. These case reports often help to define the levels at which acute toxic effects are seen in humans.",
"Information": [
{
"ReferenceNumber": 12,
"Value": {
"ExternalTableName": "chemidplus"
}
}
]
},
{
"TOCHeading": "Toxicity Data",
"Description": "Numeric toxicity data for this compound, collected from multiple sources (including the NCI Investigational Drugs and Haz-Map).",
"Information": [
{
"ReferenceNumber": 198,
"Value": {
"StringWithMarkup": [
{
"String": "LD50: 250 mg/kg (Oral, Mouse) (A308)\u000ALD50: 1010 mg/kg (Oral, Rabbit) (A308)\u000ALD50: 200 mg/kg (Oral, Rat) (A308)"
}
]
}
}
]
},
{
"TOCHeading": "Interactions",
"Description": "Interactions of this compound with other chemicals, according to the Hazardous Substances Data Bank (HSDB).",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "Prolonged concurrent use of acetaminophen with a salicylate is not recommended because chronic, high-dose administration of the combined analgesics (1.35 g daily, or cumulative ingestion of 1 kg annually, for 3 years or longer) significantly increases the risk of analgesic nephropathy, renal papillary necrosis, end-stage renal disease, and cancer of the kidney or urinary bladder; also, recommended that for short-term use the combined dose of acetaminophen plus a salicylate not exceed that recommended for acetaminophen or a salicylate given individually. /Salicylates/",
"Markup": [
{
"Start": 28,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetaminophen",
"Type": "PubChem Internal Link",
"Extra": "CID-1983"
},
{
"Start": 49,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 446,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetaminophen",
"Type": "PubChem Internal Link",
"Extra": "CID-1983"
},
{
"Start": 467,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 510,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetaminophen",
"Type": "PubChem Internal Link",
"Extra": "CID-1983"
},
{
"Start": 529,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "The possibility should be considered that additive or multiple effects leading to impaired blood clotting and/or increased risk of bleeding may occur if a salicylate, especially aspirin, is used concurrently with any medication having a significant potential for causing hypoprothrombinemia, thrombocytopenia, or gastrointestinal ulceration or hemorrhage.",
"Markup": [
{
"Start": 155,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 178,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin may decrease the bioavailability of many nonsteroidal anti-inflammatory drugs (NSAIDs), including diflunisal, fenoprofen, indomethacin, meclofenamate, piroxicam (up to 80% of the usual plasma concentration), and the active sulfide metabolite of sulindac; aspirin has also been shown to decrease the protein binding and increase the plasma clearance of ketoprofen, and to decrease the formation and excretion of ketoprofen conjugates. Concurrent use of other NSAIDs with aspirin may also increase the risk of bleeding at sites other than the gastrointestinal tract because of additive inhibition of platelet aggregation.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 106,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diflunisal",
"Type": "PubChem Internal Link",
"Extra": "CID-3059"
},
{
"Start": 118,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/fenoprofen",
"Type": "PubChem Internal Link",
"Extra": "CID-3342"
},
{
"Start": 130,
"Length": 12,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/indomethacin",
"Type": "PubChem Internal Link",
"Extra": "CID-3715"
},
{
"Start": 144,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/meclofenamate",
"Type": "PubChem Internal Link",
"Extra": "CID-4037"
},
{
"Start": 159,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/piroxicam",
"Type": "PubChem Internal Link",
"Extra": "CID-54676228"
},
{
"Start": 253,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/sulindac",
"Type": "PubChem Internal Link",
"Extra": "CID-1548887"
},
{
"Start": 263,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 360,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ketoprofen",
"Type": "PubChem Internal Link",
"Extra": "CID-3825"
},
{
"Start": 419,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ketoprofen",
"Type": "PubChem Internal Link",
"Extra": "CID-3825"
},
{
"Start": 478,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "Concurrent use of these medications /alcohol or other nonsteroidal anti-inflammatory drugs (NSAIDs)/ with a salicylate may increase the risk of gastrointestinal side effects, including ulceration and gastrointestinal blood loss; also, concurrent use of a salicylate with an NSAID may increase the risk of severe gastrointestinal side effects without providing additional symptomatic relief and is therefore not recommended. /Salicylate/",
"Markup": [
{
"Start": 108,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 255,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 425,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Interactions (Complete) data for ACETYLSALICYLIC ACID (21 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 92,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Interactions-(Complete)"
},
{
"Start": 42,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Antidote and Emergency Treatment",
"Description": "Information on antidote and emergency treatment when exposed to this chemical. The information here is from the Hazardous Substances Data Bank (HSDB).",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 11th ed. New York, NY: McGraw-Hill, 2006., p. 692"
],
"Value": {
"StringWithMarkup": [
{
"String": "The use of paralytic agents and difficulty in achieving the very high minute volumes needed tend to induce respiratory acidosis in the patient. Aspirin (pKa = 3.5) becomes non-ionized at an acidic pH and crosses the blood-brain barrier more readily, increasing its toxic central effects. It is the tissue rather than plasma levels that are dangerous to the patient. Noncardiogenic pulmonary edema interferes with oxygenation of the patient and high concentrations of inspired oxygen may be required.",
"Markup": [
{
"Start": 144,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 476,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Oxygen",
"Type": "PubChem Internal Link",
"Extra": "Element-Oxygen"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 11th ed. New York, NY: McGraw-Hill, 2006., p. 692"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin poisoning leads to inappropriate vasodilation compounded by volume depletion and acidosis, which worsens vasodilation. Aggressive volume repletion with intravenous fluids should be instituted. The aim is to achieve large-volume diuresis to optimize salicylate elimination. If necessary, vasopressors (e.g., norepinephrine, phenylephrine) are added.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 257,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 315,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/norepinephrine",
"Type": "PubChem Internal Link",
"Extra": "CID-439260"
},
{
"Start": 331,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phenylephrine",
"Type": "PubChem Internal Link",
"Extra": "CID-6041"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 11th ed. New York, NY: McGraw-Hill, 2006., p. 692"
],
"Value": {
"StringWithMarkup": [
{
"String": "Because of the need for respiratory alkalosis to compensate for the metabolic acidosis of salicylate toxicity, intubation should be avoided unless the patient demonstrates hypoventilation or obtundation. /Salicylate/",
"Markup": [
{
"Start": 90,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 205,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 11th ed. New York, NY: McGraw-Hill, 2006., p. 692"
],
"Value": {
"StringWithMarkup": [
{
"String": "Activated charcoal is used to prevent further absorption of aspirin from the GI tract. This is particularly important when enteric-coated aspirin, which has delayed absorption, has been ingested. Sodium bicarbonate should be administered to maintain the pH between 7.5 and 7.55, and if possible, the pH of the urine greater than 8. Forced alkaline diuresis maximizes salicylate elimination. Hemodialysis may be required if the above measures are inadequate, there is clinical deterioration despite therapy, or if plasma salicylate levels are greater than 1000 mg/mL. Plasma salicylate, glucose, pH, and potassium should be monitored frequently and therapy modified accordingly. Decreased CNS glucose levels may occur despite normal plasma glucose levels, and supplemental glucose should be given in cases of altered mental status, regardless of the plasma glucose levels.",
"Markup": [
{
"Start": 10,
"Length": 8,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/charcoal",
"Type": "PubChem Internal Link",
"Extra": "CID-5462310"
},
{
"Start": 60,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 138,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 196,
"Length": 18,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Sodium%20bicarbonate",
"Type": "PubChem Internal Link",
"Extra": "CID-516892"
},
{
"Start": 367,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 520,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 574,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 586,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose",
"Type": "PubChem Internal Link",
"Extra": "CID-5793"
},
{
"Start": 603,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Potassium",
"Type": "PubChem Internal Link",
"Extra": "Element-Potassium"
},
{
"Start": 692,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose",
"Type": "PubChem Internal Link",
"Extra": "CID-5793"
},
{
"Start": 739,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose",
"Type": "PubChem Internal Link",
"Extra": "CID-5793"
},
{
"Start": 772,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose",
"Type": "PubChem Internal Link",
"Extra": "CID-5793"
},
{
"Start": 856,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose",
"Type": "PubChem Internal Link",
"Extra": "CID-5793"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Antidote and Emergency Treatment (Complete) data for ACETYLSALICYLIC ACID (11 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 112,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Antidote-and-Emergency-Treatment-(Complete)"
},
{
"Start": 62,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Human Toxicity Excerpts",
"Description": "Excerpts about human toxicity of this compound, extracted from authoritative documents, such as journal articles, government reports, and reference books.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:10519166",
"Cryer B et al; Proc Assoc Am Physicians 111 (5): 448-56 (1999)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/HUMAN EXPOSURE STUDIES/ ... The objectives in this study were 1) to compare the pharmacokinetic and pharmacodynamic effects of cutaneous and oral aspirin in healthy volunteers and 2) to compare the effects of cutaneous aspirin on gastroduodenal mucosal prostaglandin E2 and F2 alpha content and on mucosal damage, using endoscopy. The bioavailability of cutaneous aspirin was 4%-8% that of oral aspirin. Cutaneous aspirin (750 mg/day for 10 days) significantly lowered serum thromboxane (by 85%) and gastric and duodenal prostaglandins (by 49%-71%); placebo had no effect. Moreover, cutaneous aspirin, but not placebo, resulted in significant gastric mucosal injury. These findings demonstrate that even tiny amounts of aspirin in the blood (2 uM) have inhibitory effects on prostaglandin production in the human stomach and duodenum that result in gastric mucosal damage, even without direct exposure of the stomach to aspirin.",
"Markup": [
{
"Start": 147,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 220,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 254,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/prostaglandin%20E2",
"Type": "PubChem Internal Link",
"Extra": "CID-5280360"
},
{
"Start": 365,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 396,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 415,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 476,
"Length": 11,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/thromboxane",
"Type": "PubChem Internal Link",
"Extra": "CID-114873"
},
{
"Start": 594,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 721,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 921,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:15143764",
"Wecker H, Laubert A; HNO 52 (4): 347-5 (2004)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/SIGNS AND SYMPTOMS/ Acetylic acid, such as aspirin, is one of the most commonly used medication in Western societies. Aspirin overdosage causes ototoxic side effects in some patients, such as bilateral mild to moderate sensorineural hearing loss and tinnitus.",
"Markup": [
{
"Start": 44,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 119,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 11th ed. New York, NY: McGraw-Hill, 2006., p. 691"
],
"Value": {
"StringWithMarkup": [
{
"String": "/SIGNS AND SYMPTOMS/ Mild chronic salicylate intoxication is called salicylism. When fully developed, the syndrome includes headache, dizziness, tinnitus, difficulty hearing, dimness of vision, mental confusion, lassitude, drowsiness, sweating, thirst, hyperventilation, nausea, vomiting, and occasionally diarrhea. /Salicylates/",
"Markup": [
{
"Start": 34,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Olson, K.R. (Ed.); Poisoning & Drug Overdose. 5th ed. Lange Medical Books/McGraw-Hill. New York, N.Y. 2007., p. 333"
],
"Value": {
"StringWithMarkup": [
{
"String": "/SIGNS AND SYMPTOMS/ Acute ingestion. Vomiting occurs shortly after ingestion, followed by hyperpnea, tinnitus, and lethargy. Mixed respiratory alkalemia and metabolic acidosis are apparent when arterial blood gases are determined. With severe intoxication, coma, seizures, hypoglycemia, hyperthermia, and pulmonary edema may occur. Death is caused by CNS failure and cardiovascular collapse. /Salicylates/"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Human Toxicity Excerpts (Complete) data for ACETYLSALICYLIC ACID (23 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 103,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Human-Toxicity-Excerpts-(Complete)"
},
{
"Start": 53,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Non-Human Toxicity Excerpts",
"Description": "Excerpts about non-human toxicity of this compound, extracted from authoritative documents, such as journal articles, government reports, and reference books.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:1003266",
"AXELSEN RA; J PATHOL 120 (3): 145-50 (1976)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/LABORATORY ANIMALS: Acute Exposure/ HOMOZYGOUS GUNN RATS, MUTANT WISTARS GENETICALLY LACKING GLUCURONYL TRANSFERASE, DEVELOPED RENAL PAPILLARY NECROSIS AFTER 1 ORAL DOSE OF ASPIRIN & PHENACETIN. LESION APPEARED MORE FREQUENTLY WITH ASPIRIN THAN PHENACETIN, AND AT LOWER DOSES.",
"Markup": [
{
"Start": 174,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 184,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/PHENACETIN",
"Type": "PubChem Internal Link",
"Extra": "CID-4754"
},
{
"Start": 233,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 246,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/PHENACETIN",
"Type": "PubChem Internal Link",
"Extra": "CID-4754"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:3764937",
"JOHANSSON SL ET AL; TOXICOL APPL PHARMACOL 86: 80-92 (1986)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ TWENTY-NINE 5-WK-OLD MALE F344/CRL RATS WERE FED A DIET CONTAINING 0 OR 0.5% ASPIRIN CONTINUOUSLY FOR 68 WEEKS. ALL SURVIVING RATS AT WEEK 68 WERE NECROPSIED; ORGANS IN THE THORACIC AND ABDOMINAL CAVITIES, AS WELL AS THE SKIN AND SUBCUTIS, WERE EXAMINED MACROSCOPICALLY. THE BLADDER, STOMACH, AND LIVER WERE PREPARED FOR HISTOPATHOLOGY. BODY WEIGHT GAIN WAS LOWER IN THE ASPIRIN-TREATED GROUP THAN IN THE CONTROL GROUP. NO BLADDER TUMORS WERE REPORTED IN EITHER GROUP, EVEN THOUGH RENAL PAPILLARY NECROSES OF INTERSTITIAL TISSUE, CAPILLARIES, AND LOOPS OF HENLE WERE FOUND IN 13 OF 15 LESIONS EXAMINED IN THE TREATED GROUP. THERE WAS A SIGNIFICANT DECREASE IN THE SEVERITY OF NEPHROPATHY IN AGED RATS IN THE ASPIRIN-TREATED GROUP COMPARED WITH CONTROLS.",
"Markup": [
{
"Start": 135,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 429,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 766,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ASPIRIN",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:12563458",
"Damasceno DC et al; Rev Assoc Med Bras 48 (4): 312-6 (2002)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ ... Female /wistar rats/ were confirmed to have mated by observations of sperm in a vaginal smear. The day on which spermatozoa were found in the vaginal smear was considered as day 1 of gestation (GD1). After randomization, mated females were assigned to experimental groups and individually caged, were given 50 mg/kg/day of acetylsalicylic acid (ASA), by needle gavage once daily, during two different periods of pregnancy. One group of dams (n=11) received aspirin from day 1 to 4 of pregnancy (before embryonic implantation) for evaluation of the blastocysts, and another group received aspirin from day 6 to 15 of pregnancy (organogenic period) for fetal evaluation. Control groups (n=12) received distilled water in same volume and during same periods as their respective experimental groups. The treatment of the dams with ASA, according to minimal therapeutic dose used for humans, did not cause embryotoxic or major malformations on experimental animal but was responsible for rate increased of fetuses presenting ureteric dilatation. After analysis of the data, it appears that, although direct conclusive evidence of adverse effects in humans is lacking, a potential hazard dose exists and thus the indiscriminate use of acetylsalicylic acid (aspirin) is contraindicated.",
"Markup": [
{
"Start": 388,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 522,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 653,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 775,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 1294,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1316,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:6505391",
"Yokoyama A, et al; Res Commun Chem Pathol Pharmacol 46 (1): 77-91(1984)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Rat embryos were exposed to aspirin or its metabolite, salicylic acid in culture. In these embryos acute reduction of heart beat was observed during 4 hours of administration compared to that in non-treated one. Protein contents and crown-rump length of cultured embryos were significantly decreased in aspirin-treated group, but were not so decreased in salicylic acid-treated one. The predominant defects of the embryos exposed to aspirin were edematous facial malformations and abnormality of tail. On the other hand, facial anomalies such as cleft lip and curly tail were observed in the embryos cultured with salicylic acid. Anomalies induced by aspirin were systemic, while salicylic acid induced localized malformations. These results might be due to the differences between aspirin and its metabolite, salicylic acid in their teratogenicity.",
"Markup": [
{
"Start": 89,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 116,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 364,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 416,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 494,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 675,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 712,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 741,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 843,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 871,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Non-Human Toxicity Excerpts (Complete) data for ACETYLSALICYLIC ACID (15 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 107,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Non-Human-Toxicity-Excerpts-(Complete)"
},
{
"Start": 57,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Human Toxicity Values",
"Description": "Quantitative human toxicity values (e.g., lethal dose) for this compound.",
"DisplayControls": {
"ShowAtMost": 5
},
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Ellenhorn, M.J. and D.G. Barceloux. Medical Toxicology - Diagnosis and Treatment of Human Poisoning. New York, NY: Elsevier Science Publishing Co., Inc. 1988., p. 562"
],
"Value": {
"StringWithMarkup": [
{
"String": "Potentially lethal intoxication develops /in children/ after ingestions of 6 tablets/kg (480 mg/kg)."
}
]
}
}
]
},
{
"TOCHeading": "Non-Human Toxicity Values",
"Description": "Quantitative non-human toxicity values (e.g., lethal dose) for this compound. The data shown here are mostly for lab animals (e.g., rat, mouse, guinea pig, and rabbit).",
"DisplayControls": {
"ShowAtMost": 5
},
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Sunshine, I. (ed.). CRC Handbook of Analytical Toxicology. Cleveland: The Chemical Rubber Co., 1969., p. 3"
],
"Value": {
"StringWithMarkup": [
{
"String": "LD50 RABBIT ORAL 1800 MG/KG"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Sunshine, I. (ed.). CRC Handbook of Analytical Toxicology. Cleveland: The Chemical Rubber Co., 1969., p. 3"
],
"Value": {
"StringWithMarkup": [
{
"String": "LD50 RABBIT INTRAPERITONEAL 500 MG/KG"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2007."
],
"Value": {
"StringWithMarkup": [
{
"String": "LD50 Rat oral 1500 mg/kg"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 57"
],
"Value": {
"StringWithMarkup": [
{
"String": "LD50 Rat oral 200 mg/kg"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Non-Human Toxicity Values (Complete) data for ACETYLSALICYLIC ACID (10 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 105,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Non-Human-Toxicity-Values-(Complete)"
},
{
"Start": 55,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Ecotoxicity Values",
"Description": "Quantitative toxicity values (e.g., EC50 and LC50) for various aquatic and/or terrestrial organisms in the ecosystem.",
"DisplayControls": {
"ShowAtMost": 5
},
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lilius H et al; Aquat Toxicol 30: 47-60 (1994) Available from, as of February 18, 2008"
],
"Value": {
"StringWithMarkup": [
{
"String": "LC50; Species: Daphnia magna (Water flea, <24 hr neonate); Conditions: freshwater, static, 21 °C, pH 7.6; Concentration: 8.15 mM for 24 hr",
"Markup": [
{
"Start": 30,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Lilius H et al; Environ Toxicol Chem 14 (12): 2085-8 (1995) Available from, as of February 18, 2008"
],
"Value": {
"StringWithMarkup": [
{
"String": "LC50; Species: Daphnia pulex (Water flea, <24 hr); Conditions: freshwater, static, 20 °C, pH 7.6; Concentration: 2.00 mM for 24 hr",
"Markup": [
{
"Start": 30,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Calleja MC, Persoone G; Atla 20: 396-405 (1992) Available from, as of February 18, 2008"
],
"Value": {
"StringWithMarkup": [
{
"String": "LC50; Species: Artemia salina (Brine shrimp, age 2-3 instar larva); Conditions: saltwater, static, salinity 35 ppt; Concentration: 2120 umol/L for 24 hr",
"Markup": [
{
"Start": 31,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Brine",
"Type": "PubChem Internal Link",
"Extra": "CID-57417360"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Calleja MC, Persoone G; Atla 20: 396-405 (1992) Available from, as of February 18, 2008"
],
"Value": {
"StringWithMarkup": [
{
"String": "LC50; Species: Streptocephalus proboscideus (Fairy shrimp, age 2-3 instar larva); Conditions: saltwater, static, 25 °C, salinity 15 ppt; Concentration: 988 umol/L for 24 hr"
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "For more Ecotoxicity Values (Complete) data for ACETYLSALICYLIC ACID (6 total), please visit the HSDB record page.",
"Markup": [
{
"Start": 97,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652#section=Ecotoxicity-Values-(Complete)"
},
{
"Start": 48,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Ecotoxicity Excerpts",
"Description": "Excerpts about ecotoxicity of this compound, extracted from authoritative documents, such as journal articles, government reports, and reference books.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:12872976",
"Hassan SM et al; Poult Sci 82 (7): 1174-80 (2003)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/BIRDS and MAMMALS/ The impact of acetyl salicylic add (ASA) on reproductive performance during periods of heat stress was studied in Japanese quail (Coturnix coturnix japonica). During a season when daily high temperatures averaged between 34 and 40 degrees C, four treatments each containing four replicates of five males and five females were given 0, 0.5, 1.0, or 1.5 g/L ASA in drinking water from 34 to 45 wk of age. At 39 wk of age control quail were lighter than quail fed ASA. Quail receiving 1.5 g/L ASA exhibited increased fertility, hatchability, and egg production and decreased late dead and total embryonic mortality. Early dead embryos, pips, chick weight, and egg weight were not different among treatments. The lumen of uterovaginal junction sperm host glands (UVJSHG) from control quail was apparently devoid of spermatozoa, whereas quail receiving 1.5 g/L ASA had the greatest apparent accumulation of spermatozoa. Control caudal infundibulum host glands (CPOI) were devoid of spermatozoa in contrast with CPOI from quail receiving ASA. Results show that UVJSHG lumens from quail receiving 1.5 g/L ASA had larger inside diameters than other treatment groups. However, the CPOI inside diameter and the outside diameters of both UVJSHG and CPOI were not affected by ASA. Adding 1.5 g/L ASA to the drinking water of quail under heat stress improved body weight, fertility, hatchability, embryonic mortality, egg production, egg specific gravity, and sperm storage capacity.",
"Markup": [
{
"Start": 41,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic",
"Type": "PubChem Internal Link",
"Extra": "CID-73952057"
},
{
"Start": 392,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 1324,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:15352270",
"Marques CR et al; Environ Toxicol 19 (5): 527-40 (2004)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/AQUATIC SPECIES/ Metabolic products are often more toxic than their pharmacological parent compounds. Therefore, the acute and chronic effects of the main metabolites--salicylic acid (SAL), gentisic acid (GEN), and o-hydroxyhippuric acid (HDP)--of acetylsalicylic acid (ASA), the active ingredient in Aspirin and many other pharmaceuticals, were assessed using standard (Daphnia magna) and autochthonous (Daphnia longispina) cladocerans. The sequence of decreasing levels of acute and chronic toxicity of ASA metabolites to daphnids was GEN > SAL > HDP. HDP did not present acute toxicity, but chronic exposures enabled the production of abnormal neonates and, in particular, egg abortion. Thus, reproduction was the end point most susceptible to HDP. On the other hand, SAL and GEN induced changes in the normal patterns of reproduction and growth of both species. In general, D. longispina was more sensitive than was D. magna, although the population growth of the autochthonous species was superior under SAL exposures than that of the standard test species. Although the concentrations that were determined to have a toxic effect were above the levels detected in aquatic environmental samples, exposure to low levels of pharmacologically active substances for a duration longer than the test period may induce changes in nontarget organisms.",
"Markup": [
{
"Start": 169,
"Length": 14,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-338"
},
{
"Start": 191,
"Length": 13,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/gentisic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-3469"
},
{
"Start": 216,
"Length": 22,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/o-hydroxyhippuric%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-10253"
},
{
"Start": 249,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 302,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"ALARCON MI, MOYA N; BOL SOC BIOL CONCEPCION 42: 287-306 (1970)"
],
"Value": {
"StringWithMarkup": [
{
"String": "/PLANTS/ PHYTOTOXICITY: CHROMOSOMAL ABERRATIONS & ALTERATIONS IN ROOT CELLS OF BROAD BEAN PLANTS TREATED WITH ACETYLSALICYLIC ACID (1.0 GRAIN).",
"Markup": [
{
"Start": 110,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ACETYLSALICYLIC%20ACID",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Populations at Special Risk",
"Description": "People within the general population vary greatly in their sensitivity to chemical agents on an individual or mixture basis. Some segments of the general population may be at greatest risk for adverse outcomes. Well-known groups at special risk include children, women of childbearing age, the elderly and are also defined by nutritional status, occupations, contamination of local food supplies, gender and genetic inheritance.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin use may be associated with the development of Reye's syndrome in children and teenagers with acute febrile illnesses, especially influenza and varicella. It is recommended that salicylate therapy not be initiated in febrile pediatric or adolescent patients until after the presence of such an illness has been ruled out. Also, it is recommended that chronic salicylate therapy in these patients be discontinued if a fever occurs, and not resumed until it has been determined that an illness that may predispose to Reye's syndrome is not present or has run its course. Other forms of salicylate toxicity may also be more prevalent in pediatric patients, especially children who have a fever or are dehydrated.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 185,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 366,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 591,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2577"
],
"Value": {
"StringWithMarkup": [
{
"String": "Especially careful monitoring of the serum salicylate concentration is recommended in pediatric patients with Kawasaki disease. Absorption of aspirin is impaired during the early febrile stage of the disease; therapeutic anti-inflammatory plasma salicylate concentrations may be extremely difficult to achieve. Also, as the febrile stage passes, absorption is improved; salicylate toxicity may occur if dosage is not readjusted.",
"Markup": [
{
"Start": 43,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 142,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 246,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 370,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 11th ed. New York, NY: McGraw-Hill, 2006., p. 688"
],
"Value": {
"StringWithMarkup": [
{
"String": "Patients with severe hepatic damage, hypoprothrombinemia, vitamin K deficiency, or hemophilia should avoid aspirin because the inhibition of platelet hemostasis can result in hemorrhage.",
"Markup": [
{
"Start": 107,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"International Programme on Chemical Safety; Poisons Information Monograph: Acetylsalicylic Acid (PIM 006) (1991) Available from, as of March 10, 2008: https://www.inchem.org/pages/pims.html"
],
"Value": {
"StringWithMarkup": [
{
"String": "Some persons, particularly asthmatics, exhibit marked sensitivity to acetylsalicylic acid which provokes various reactions including urticaria and other skin eruptions, angioneurotic edema, rhinitis and severe, even fatal, paroxysmal bronchospasm and dyspnea, hypotension, shock and syncope.",
"Markup": [
{
"Start": 69,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 11th ed. New York, NY: McGraw-Hill, 2006., p. 688"
],
"Value": {
"StringWithMarkup": [
{
"String": "Aspirin can cause a mild degree of hemolysis in individuals with a deficiency of glucose-6-phosphate dehydrogenase.",
"Markup": [
{
"Start": 0,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 81,
"Length": 19,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose-6-phosphate",
"Type": "PubChem Internal Link",
"Extra": "CID-5958"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Protein Binding",
"Description": "In this section, \"protein binding\" refers to the degree to which medications attach to plasma proteins (i.e., proteins within the blood, such as human serum albumin, lipoprotein, glycoprotein and globulins). A drug's efficiency may be affected by the degree to which it binds to plasma proteins. The less bound a drug is, the more efficiently it can traverse cell membranes or diffuse.",
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "50% to 90% of a normal therapeutic concentration salicylate (a main metabolite of acetylsalicylic acid) binds plasma proteins, particularly albumin, while acetylsalicylic acid itself binds negligibly. Acetylsalicylic acid has the ability to bind to and acetylate many proteins, hormones, DNA, platelets, and hemoglobin.",
"Markup": [
{
"Start": 49,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 82,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 155,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 201,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
},
{
"TOCHeading": "Ecological Information",
"Description": "This section provides information to evaluate the environmental impact of the chemical if it were released to the environment. The information may include data from toxicity tests performed on aquatic and/or terrestrial organisms, where available (e.g., acute or chronic aquatic toxicity data for fish, algae, and crustaceans; toxicity data on birds, bees, and plants). This section also includes information on whether there is a potential for the chemical to persist or degrade in the environment either through biodegradation or other processes (such as oxidation or hydrolysis) as well as the concentration or amount of the chemical found in the environment (e.g., in plants, animals as well as in the atmosphere or water).",
"Section": [
{
"TOCHeading": "Environmental Fate/Exposure Summary",
"Description": "This section summarizes the environmental fate/exposure of this chemical, including the natural and artificial sources of the chemical as a pollutant, its environmental fate, biodegradation, abiotic degradation, bioconcentration, etc.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid 's production and use as a common over-the-counter analgesic, anti-pyretic, anti-inflammatory and anti-thrombetic may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 2.5X10-5 mm Hg at 25 °C indicates that acetylsalicylic acid is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase acetylsalicylic acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 12 days. Particulate-phase acetylsalicylic acid may be removed from the air by wet or dry deposition. Acetylsalicylic acid contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight. If released to soil, acetylsalicylic acid is expected to have high mobility based upon an estimated Koc of 100. The pKa of acetylsalicylic acid is 3.49, indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts. Volatilization from moist soil surfaces is not expected to be an important fate process since anions do not volatilize. Acetylsalicylic acid is not expected to volatilize from dry soil surfaces based upon its vapor pressure. No biodegradation studies were located for acetylsalicylic acid in soil or water; however, acetylsalicylic acid was classified as readily biodegradable in screening tests. An aqueous hydrolysis half-life of 6.2 days at pH 7.4 and 17 °C, suggests hydrolysis may occur in moist soils. If released into water, acetylsalicylic acid is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is not an important fate process since anions do not volatilize. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Aqueous hydrolysis half-lives ranging from 1.2 hours to 12.5 days at pH 3.5 to 11.3 and 17 °C, indicates hydrolysis will be an important aquatic fate process. Occupational exposure to acetylsalicylic acid may occur through inhalation of dust and dermal contact with this compound at workplaces where acetylsalicylic acid is produced or used. The general population is exposed to acetylsalicylic acid through its ingestion as an over-the-counter medication. (SRC)",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 290,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 412,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 609,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 684,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 850,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 952,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1153,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Carbon",
"Type": "PubChem Internal Link",
"Extra": "Element-Carbon"
},
{
"Start": 1322,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1470,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1502,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 1518,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1727,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 1734,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 1864,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 2223,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 2339,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 2418,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Artificial Pollution Sources",
"Description": "Pollutants are emitted from a range of natural and man-made (artificial) sources. This section provides information on the artificial sources of the compound as a pollutant.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) O'Neil MJ, ed; The Merck Index. 14th ed Whitehouse Station, NJ: Merck and Co Inc pp. 140 (2006)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid 's production and use as a common over-the-counter analgesic, anti-pyretic, anti-inflammatory and anti-thrombetic(1) may result in its release to the environment through various waste streams(SRC).",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Environmental Fate",
"Description": "Environmental fate describes where this chemical goes when it gets out into the environment and how it might be chemically transformed in that process. This section may provide information on multiple types of environmental fates of the chemical (e.g., aquatic fate, terrestrial fate, and atmospheric fate). ",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Swann RL et al; Res Rev 85: 17-28 (1983) (2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 54 (1995)(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (4) O'Neil MJ, ed; The Merck Index. 14th ed Whitehouse Station, NJ: Merck and Co Inc pp. 140 (2006) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (6) Eisenreich SJ et al; Environ Sci Technol 15: 30-8 (1981) (7) Rogers HR; Sci Total Environ 185: 3-26 (1996) (8) Halling-Sorensen B et al; Chemosphere 36: 357-393 (1998) (9) Organ Econ Coop Develop; OECD Guidelines for Testing of Chemicals. OECD. Berlin: Umweltbundesant pp. 842 (1981)"
],
"Value": {
"StringWithMarkup": [
{
"String": "TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 100(SRC), determined from a log Kow of 1.19(2) and a regression-derived equation(3), indicates that acetylsalicylic acid is expected to have high mobility in soil(SRC). The pKa of acetylsalicylic acid is 3.49(4), indicating that this compound will almost entirely exist in anion form in the environment and anions generally do not adsorb as strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of acetylsalicylic acid from moist soil surfaces will not be an important fate process(SRC) since anions do not volatilize. Acetylsalicylic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.5X10-5 mm Hg(6). No biodegradation studies were located for acetylsalicylic acid in soil(SRC, 2008); however, acetylsalicylic acid was classified as readily biodegradable in screening tests(7,8). An aqueous hydrolysis half-life of 6.3 days at pH 7.4 and 17 °C(9), suggests hydrolysis may occur in moist soils(SRC).",
"Markup": [
{
"Start": 181,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 261,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 459,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Carbon",
"Type": "PubChem Internal Link",
"Extra": "Element-Carbon"
},
{
"Start": 529,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 650,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 822,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 872,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Swann RL et al; Res Rev 85: 17-28 (1983) (2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 54 (1995)(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9, 15-1 to 15-29 (1990) (4) O'Neil MJ, ed; The Merck Index. 14th ed Whitehouse Station, NJ: Merck and Co Inc pp. 140 (2006) (5) Franke C et al; Chemosphere 29: 1501-14 (1994) (6) Meylan WM et al; Environ Toxicol Chem 18: 664-72 (1999) (7) Organ Econ Coop Develop; OECD Guidelines for Testing of Chemicals. OECD. Berlin: Umweltbundesant pp. 842 (1981) (8) Rogers HR; Sci Total Environ 185: 3-26 (1996) (9) Halling-Sorensen B et al; Chemosphere 36: 357-393 (1998)"
],
"Value": {
"StringWithMarkup": [
{
"String": "AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 100(SRC), determined from a log Kow of 1.19(2) and a regression-derived equation(3), indicates that acetylsalicylic acid is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 3.49(4) indicates acetylsalicylic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process. According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A hydrolysis half-life of 6.3 days at pH 7.4 and 17 °C was calculated for acetylsalicylic acid(7). No biodegradation studies were located for acetylsalicylic acid in water(SRC, 2008); however, acetylsalicylic acid was classified as readily biodegradable in screening tests(8,9).",
"Markup": [
{
"Start": 177,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 290,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 413,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 756,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 824,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 848,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 875,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Bidleman TF; Environ Sci Technol 22: 361-367 (1988) (2) Eisenreich SJ et al; Environ Sci Technol 15: 30-8 (1981) (3) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993) (4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 8-12 (1990)"
],
"Value": {
"StringWithMarkup": [
{
"String": "ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), acetylsalicylic acid, which has a vapor pressure of 2.5X10-5 mm Hg at 25 °C(2) is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase acetylsalicylic acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 12 days(SRC), calculated from its rate constant of 1.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase acetylsalicylic acid may be removed from the air by wet or dry deposition(SRC). Acetylsalicylic acid contains chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).",
"Markup": [
{
"Start": 124,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 304,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 648,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 728,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Environmental Biodegradation",
"Description": "This section provides information on environmental biodegradation for this compound. Biodegradation is the breakdown of organic matter by microorganisms, such as bacteria and fungi. An important measure of biodegradability of wastewater is the biochemical oxygen demand (BOD), which is the amount of dissolved oxygen (DO) needed (i.e. demanded) by aerobic biological organisms to break down organic material present in a given water sample at certain temperature over a specific time period. ",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Rogers HR; Sci Total Environ 185: 3-26 (1996) (2) Halling-Sorensen B et al; Chemosphere 36: 357-393 (1998) (3) Jones OAH et al; Water Res 36: 5013-22 (2002)"
],
"Value": {
"StringWithMarkup": [
{
"String": "AEROBIC: No biodegradation studies were located for acetylsalicylic acid in soil or natural water(SRC, 2008); however, acetylsalicylic acid was classified as readily biodegradable in screening tests using sewage sludge inoculum(1,2). Conversely, only a 0.09% total biodegradation was predicted in a study of a UK sewage treatment plant; the compound is detected in the UK environment(3).",
"Markup": [
{
"Start": 52,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 92,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 119,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Shelton DR, Tiedje JM; Development of Tests for Determining Anaerobic Biodegradation Potential USEPA 560/5-81-013, NTIS PB84-166495 (1981) (2) Shelton DR, Tiedje JM; App Env Microbiol 47: 850-7 (1984)"
],
"Value": {
"StringWithMarkup": [
{
"String": "AEROBIC: No biodegradation studies were located for acetylsalicylic acid in soil or natural water(SRC, 2008); however, acetylsalicylic acid was classified as readily biodegradable in screening tests using sewage sludge inoculum(1,2). Conversely, only a 0.09% total biodegradation was predicted in a study of a UK sewage treatment plant; the compound is detected in the UK environment(3).",
"Markup": [
{
"Start": 52,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 92,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 119,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Environmental Abiotic Degradation",
"Description": "Abiotic degradation is a process by which a chemical substance is broken down into smaller molecules by non-biotic means (e.g., hydrolysis, photolysis, and oxidation).",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993) (2) Organ Econ Coop Develop; OECD Guidelines for Testing of Chemicals. OECD. Berlin: Umweltbundesant pp. 842 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 8-12 (1990)"
],
"Value": {
"StringWithMarkup": [
{
"String": "The rate constant for the vapor-phase reaction of acetylsalicylic acid with photochemically-produced hydroxyl radicals has been estimated as 1.3X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 12 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Hydrolysis rate constants for acetylsalicylic acid in water at 17 °C and pHs 3.5, 5.0, 7.4, 9.5 and 11.3 were 6.5X10-7/sec, 1.5X10-6/sec, 1.3X10-6/sec, 3.7X10-6/sec and 1.6X10-4/sec, which correspond to half-lives of 12.5 days, 5.4 days, 6.3 days, 2.2 days and 1.2 hrs, respectively(2). Acetylsalicylic acid contains chromophores that absorb at wavelengths >290 nm(3) and therefore may be susceptible to direct photolysis by sunlight(SRC).",
"Markup": [
{
"Start": 50,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 390,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 414,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 647,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Environmental Bioconcentration",
"Description": "This section provides information on environmental bioconcentration for this compound. Bioconcentration is the accumulation of a chemical in or on an organism when the source of chemical is solely water. Bioconcentration is a term that was created for use in the field of aquatic toxicology. Bioconcentration can also be defined as the process by which a chemical concentration in an aquatic organism exceeds that in water as a result of exposure to a waterborne chemical.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 54 (1995) (2) Meylan WM et al; Environ Toxicol Chem 18: 664-72 (1999) (3) Franke C et al; Chemosphere 29: 1501-14 (1994)"
],
"Value": {
"StringWithMarkup": [
{
"String": "An estimated BCF of 3 was calculated in fish for acetylsalicylic acid (SRC), using a log Kow of 1.19(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).",
"Markup": [
{
"Start": 49,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Soil Adsorption/Mobility",
"Description": "Sorption to soils and sediments is an important factor on the transport and fate of organic contaminants in the environment. The soil/water adsorption coefficient, also known as solid-water distribution coefficient (Kd), measures the amount of chemical substance adsorbed onto soil per amount of water. Since adsorption occurs predominantly by partition into the soil organic matter, it is more useful to normalize the Kd value to the organic carbon content of a soil and express the distribution coefficient in Koc (organic carbon normalized distribution coefficient). The greater the Kd (or Koc) value, the less likely a chemical will leach or contribute to runoff. A very high value means it is strongly adsorbed onto soil and organic matter and does not move throughout the soil.",
"URL": "https://toxics.usgs.gov/pubs/FS-087-00/fs-087-00.pdf",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 54 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) O'Neil MJ, ed; The Merck Index. 14th ed Whitehouse Station, NJ: Merck and Co Inc pp. 140 (2006) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)"
],
"Value": {
"StringWithMarkup": [
{
"String": "The Koc of acetylsalicylic acid is estimated as 100(SRC), using a log Kow of 1.19(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that acetylsalicylic acid is expected to have high mobility in soil(SRC). The pKa of acetylsalicylic acid is estimated as 3.49(4), indicating that this compound will primarily exist as an anion in the environment and anions generally do not adsorb as strongly to soils containing organic carbon and clay than their neutral counterparts(5).",
"Markup": [
{
"Start": 11,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 203,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 283,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 486,
"Length": 6,
"URL": "https://pubchem.ncbi.nlm.nih.gov/element/Carbon",
"Type": "PubChem Internal Link",
"Extra": "Element-Carbon"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Volatilization from Water/Soil",
"Description": "Volatilization of chemicals from water/soil is the transfer of the chemical as a gas through the water-air or soil-air interface under environmental conditions",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) O'Neil MJ, ed; The Merck Index. 14th ed Whitehouse Station, NJ: Merck and Co Inc pp. 140 (2006) (2) Eisenreich SJ et al; Environ Sci Technol 15: 30-38 (1981)"
],
"Value": {
"StringWithMarkup": [
{
"String": "The pKa of acetylsalicylic acid is 3.49(1). This pKa indicates that acetylsalicylic acid is expected to primarily exist in anionic form in moist soil and water(SRC). Volatilization from moist soil and water is not expected since anions do not volatilize(SRC). Acetylsalicylic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.5X10-5 mm Hg(2).",
"Markup": [
{
"Start": 11,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 68,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 154,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 201,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 260,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Environmental Water Concentrations",
"Description": "Concentrations of this chemical in water in various stages of hydrologic cycle (e.g., drinking water, ground water, surface water, and rain/snow).",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"PMID:10592150",
"Full text: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1566206",
"(1) Daughton CG, Ternes TA; Environ Health Perspect 107: 907-938 (1999)"
],
"Value": {
"StringWithMarkup": [
{
"String": "SURFACE WATER: Acetylsalicylic acid was detected in surface water at a max concn of 0.34 ug/L(1).",
"Markup": [
{
"Start": 8,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/WATER",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
},
{
"Start": 15,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 60,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Effluent Concentrations",
"Description": "Concentration of this compound in effluent. Effluent is wastewater (treated or untreated) discharged into surface waters from a treatment plant, sewer, or industrial outfall. ",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Daughton CD, Ternes TA; Environ Health Pesrpect 107: 907-38 (1999) (2) Ternes T; Wasser Boden 53: 9-14 (2001) (3) Stan HJ, Heberer T; Analusis 25: M20-M23(1997) (4) Halling-Sorensen B et al; Chemosphere 36: 357-93 (1998)"
],
"Value": {
"StringWithMarkup": [
{
"String": "That pharmaceutically active compounds such as acetylsalicylic acid enter the environment via sewage has been known for over 20 years(1). Acetylsalicylic acid was detected in 22 effluent samples from a German sewage treatment facility at a max concn of 1.5 ug/L(2). Acetylsalicylic acid was detected in effluent from an unspecified sewage treatment plant in Germany at a max concn of 95.62 ug/L(3). Concentrations of approximately 1 ug/L in sewage effluent to a range of <50 to 1,510 ug/L in effluent from sedimentation tanks have also been reported(4).",
"Markup": [
{
"Start": 47,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 138,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 266,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Milk Concentrations",
"Description": "Concentrations of this compound in milk.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Cone MV et al; Chemicals identified in Human Biological Materials: A Database. USEPA-560/13-80-036a (1981)"
],
"Value": {
"StringWithMarkup": [
{
"String": "EXPERIMENTAL: Acetylsalicylic acid and the acetylsalicylate ion were detected in the breast milk of nursing mothers within 1 hour of aspirin (acetylsalicylic acid) ingestion(1).",
"Markup": [
{
"Start": 14,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 43,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-3434975"
},
{
"Start": 133,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 142,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
},
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"Thomson/Micromedex. Drug Information for the Health Care Professional. Volume 1, Greenwood Village, CO. 2007., p. 2576"
],
"Value": {
"StringWithMarkup": [
{
"String": "Peak salicylate concentrations of 173 to 483 ug/mL have been measured in /breast milk/ 5 to 8 hours after maternal ingestion of a single 650 mg dose /of aspirin/.",
"Markup": [
{
"Start": 5,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/salicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-54675850"
},
{
"Start": 153,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Probable Routes of Human Exposure",
"Description": "Potential way(s) in which people may come into contact with a hazardous chemical. Examples of common exposure routes are inhalation, ingestion, skin/eye contact.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) NIOSH; NOES. National Occupational Exposure Survey conducted from 1981-1983. Estimated numbers of employees potentially exposed to specific agents by 2-digit standard industrial classification (SIC). Available at https://www.cdc.gov/noes/ as of Dec 17, 2007."
],
"Value": {
"StringWithMarkup": [
{
"String": "NIOSH (NOES Survey 1981-1983) has statistically estimated that 191 workers (81 of these are female) are potentially exposed to acetylsalicylic acid in the US(1). Occupational exposure to acetylsalicylic acid may occur through inhalation of dust and dermal contact with this compound at workplaces where acetylsalicylic acid is produced or used(SRC). The general population is exposed to acetylsalicylic acid through its ingestion as an over-the-counter medication.",
"Markup": [
{
"Start": 127,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 187,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 303,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 387,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Body Burden",
"Description": "Total amount of a chemical present in an organism at a given time.",
"Information": [
{
"ReferenceNumber": 56,
"Description": "PEER REVIEWED",
"Reference": [
"(1) Cone MV et al; Chemicals identified in Human Biological Materials: A Database. USEPA-560/13-80-036a (1981)"
],
"Value": {
"StringWithMarkup": [
{
"String": "Acetylsalicylic acid and the acetylsalicylate ion were detected in the breast milk of nursing mothers within 1 hour of aspirin (acetylsalicylic acid) ingestion(1).",
"Markup": [
{
"Start": 0,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 29,
"Length": 16,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylate",
"Type": "PubChem Internal Link",
"Extra": "CID-3434975"
},
{
"Start": 119,
"Length": 7,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/aspirin",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
},
{
"Start": 128,
"Length": 20,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetylsalicylic%20acid",
"Type": "PubChem Internal Link",
"Extra": "CID-2244"
}
]
}
]
}
}
]
}
]
}
]
},
{
"TOCHeading": "Associated Disorders and Diseases",
"Description": "Disorders and diseases associated with the compound. The contexts of the associations listed in this section vary. For example, a compound may cause its associated diseases (e.g., carcinogens and cancers) or have a therapeutic effect in treatment of the diseases (e.g., antihistamines and allergies), or be used as a marker/indicator for the diseases (e.g., glucose and diabetes).",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "Subsections",
"NumberOfColumns": 2,
"ColumnHeadings": [
"Disease",
"References"
],
"ColumnContents": [
"Name",
"Value"
]
}
},
"Information": [
{
"ReferenceNumber": 14,
"Value": {
"ExternalTableName": "consolidateddiseaseassociation"
}
},
{
"ReferenceNumber": 194,
"Value": {
"ExternalTableName": "consolidateddiseaseassociation"
}
},
{
"ReferenceNumber": 195,
"Value": {
"ExternalTableName": "consolidateddiseaseassociation"
}
},
{
"ReferenceNumber": 196,
"Value": {
"ExternalTableName": "consolidateddiseaseassociation"
}
}
]
},
{
"TOCHeading": "Literature",
"Description": "Scientific articles associated with this compound. Some chemical-literature associations in this section are provided by data contributors or derived from MeSH annotations, as explained in Kim et al., J. Cheminform. 2016, 8, 32. This section also provides the lists of chemicals, genes/proteins, and diseases, that are co-mentioned in scientific articles, as described in Zaslavsky et al., Front. Res. Metr. Anal., 2021, 6, 689059.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/literature",
"Section": [
{
"TOCHeading": "Consolidated References",
"Description": "The consolidated references include literature data from all sources including Springer Nature, Thieme Chemistry, Wiley, Nature journals, depositor provided citations, and NLM curated PubMed citations.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/literature",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"ExternalTableName": "literature"
}
}
]
},
{
"TOCHeading": "NLM Curated PubMed Citations",
"Description": "The NLM Curated PubMed Citations section links to all PubMed records that are tagged with the same MeSH term that has been associated with a particular compound.",
"URL": "https://jcheminf.biomedcentral.com/articles/10.1186/s13321-016-0142-6",
"Information": [
{
"ReferenceNumber": 210,
"URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_pubmed_mesh&db=pccompound&cmd=Link&from_uid=2244",
"Value": {
"Boolean": [
true
]
}
}
]
},
{
"TOCHeading": "Springer Nature References",
"Description": "Literature references related to scientific contents from Springer Nature journals and books. These references have been ranked automatically by an algorithm which calculates the relevance for each substance in a Springer Nature document. It is based on: (1) the TF-IDF, adapted to chemical structures, (2) location information in the text (e.g. title, abstract, keywords), and (3) the document size. Springer Nature aims to provide only highly qualitative and relevant content but references of lower relevance aren't withheld as they might contain also very useful information.",
"Information": [
{
"ReferenceNumber": 172,
"Name": "Springer Nature References",
"Value": {
"ExternalTableName": "springernature"
}
}
]
},
{
"TOCHeading": "Thieme References",
"Description": "Literature references related to scientific contents from Thieme Chemistry journals and books. The Thieme Chemistry content within this section is provided under a CC-BY-NC-ND 4.0 license (https://creativecommons.org/licenses/by-nc-nd/4.0/), unless otherwise stated.",
"Information": [
{
"ReferenceNumber": 197,
"Name": "Thieme References",
"Value": {
"ExternalTableName": "ThiemeChemistry"
}
}
]
},
{
"TOCHeading": "Wiley References",
"Description": "Literature references related to scientific contents from Wiley journals and books.",
"Information": [
{
"ReferenceNumber": 208,
"Value": {
"ExternalTableName": "wiley"
}
}
]
},
{
"TOCHeading": "Nature Journal References",
"Description": "Literature references provided by Nature journals including Nature Chemistry, Nature Synthesis, Nature Chemical Biology, Nature Communications, Nature Catalysis, etc.",
"Information": [
{
"ReferenceNumber": 139,
"URL": "http://dx.doi.org/10.1038/nchem.859",
"Value": {
"StringWithMarkup": [
{
"String": "Foster et al. Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth. Nature Chemistry, doi: 10.1038/nchem.859, published online 10 October 2010 http://www.nature.com/nchem"
}
]
}
}
]
},
{
"TOCHeading": "Chemical Co-Occurrences in Literature",
"Description": "Chemical co-occurrences in literature highlight chemicals mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.",
"URL": "https://doi.org/10.3389/frma.2021.689059",
"Information": [
{
"ReferenceNumber": 210,
"Name": "Co-Occurrence Panel",
"Value": {
"StringWithMarkup": [
{
"String": "ChemicalNeighbor"
},
{
"String": "Chemical"
},
{
"String": "ChemicalName_1"
},
{
"String": "ChemicalName_2"
},
{
"String": "SUMMARY_URL.cid"
},
{
"String": "CID"
},
{
"String": "CID"
}
]
}
}
]
},
{
"TOCHeading": "Chemical-Gene Co-Occurrences in Literature",
"Description": "Chemical-gene co-occurrences in the literature highlight chemical-gene pairs mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Note that a co-occurring gene entity is organism non-specific and could refer to a gene, protein, or enzyme. Also note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.",
"URL": "https://doi.org/10.3389/frma.2021.689059",
"Information": [
{
"ReferenceNumber": 210,
"Name": "Co-Occurrence Panel",
"Value": {
"StringWithMarkup": [
{
"String": "ChemicalGeneSymbolNeighbor"
},
{
"String": "Gene/Protein/Enzyme"
},
{
"String": "ChemicalName"
},
{
"String": "GeneSymbolName"
},
{
"String": "https://pubchem.ncbi.nlm.nih.gov/gene/SYMBOL:"
},
{
"String": "CID"
},
{
"String": "GeneSymbol"
}
]
}
}
]
},
{
"TOCHeading": "Chemical-Disease Co-Occurrences in Literature",
"Description": "Chemical-disease co-occurrences in literature highlight chemical-disease pairs mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.",
"URL": "https://doi.org/10.3389/frma.2021.689059",
"Information": [
{
"ReferenceNumber": 210,
"Name": "Co-Occurrence Panel",
"Value": {
"StringWithMarkup": [
{
"String": "ChemicalDiseaseNeighbor"
},
{
"String": "Disease"
},
{
"String": "ChemicalName"
},
{
"String": "DiseaseName"
},
{
"String": "https://meshb.nlm.nih.gov/record/ui?ui="
},
{
"String": "CID"
},
{
"String": "MeSH"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Patents",
"Description": "Patent applications/documents that mention this compound.",
"DisplayControls": {
"ListType": "Columns"
},
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "US5972916",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US5972916"
}
]
},
{
"String": "US6015577",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US6015577"
}
]
},
{
"String": "US6926907",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US6926907"
}
]
},
{
"String": "US9101637",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US9101637"
}
]
},
{
"String": "US9226892",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US9226892"
}
]
},
{
"String": "US8865187",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US8865187"
}
]
},
{
"String": "US9216150",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US9216150"
}
]
},
{
"String": "US9351984",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US9351984"
}
]
},
{
"String": "US9539214",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US9539214"
}
]
},
{
"String": "US9364439",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US9364439"
}
]
},
{
"String": "US8206741",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US8206741"
}
]
},
{
"String": "US9987231",
"Markup": [
{
"Start": 0,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US9987231"
}
]
},
{
"String": "US10786444",
"Markup": [
{
"Start": 0,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US10786444"
}
]
},
{
"String": "US10646431",
"Markup": [
{
"Start": 0,
"Length": 10,
"URL": "https://pubchem.ncbi.nlm.nih.gov/patent/US10646431"
}
]
}
]
}
}
],
"Section": [
{
"TOCHeading": "Depositor-Supplied Patent Identifiers",
"Description": "Patent identifiers provided by data depositors, along with information on those patents.",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"ExternalTableName": "patent"
}
},
{
"ReferenceNumber": 210,
"Value": {
"StringWithMarkup": [
{
"String": "Link to all deposited patent identifiers",
"Markup": [
{
"Start": 0,
"Length": 40,
"URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/xrefs/PatentID/TXT"
}
]
}
]
}
}
]
},
{
"TOCHeading": "WIPO PATENTSCOPE",
"Description": "Use the provided link to show patents associated with this chemical structure in WIPO's PATENTSCOPE system.",
"URL": "https://www.wipo.int/patentscope/en/",
"Information": [
{
"ReferenceNumber": 246,
"Value": {
"StringWithMarkup": [
{
"String": "Patents are available for this chemical structure:"
},
{
"String": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Markup": [
{
"Start": 0,
"Length": 86,
"URL": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N"
}
]
}
]
}
}
]
},
{
"TOCHeading": "FDA Orange Book Patents",
"Description": "Patents listed for this chemical in the Orange Book published by U.S. Food and Drug Administration (FDA). The Orange Book identifies FDA-approved drug products and related patent and exclusivity information.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/approved-drug-products-therapeutic-equivalence-evaluations-orange-book",
"Information": [
{
"ReferenceNumber": 53,
"Value": {
"ExternalTableName": "collection=fdaorgpt&query_type=synonym&query='^ASPIRIN$'"
}
}
]
},
{
"TOCHeading": "Chemical Co-Occurrences in Patents",
"Description": "Chemical co-occurrences in patents highlight chemicals mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.",
"Information": [
{
"ReferenceNumber": 210,
"Name": "Co-Occurrence Panel",
"Value": {
"StringWithMarkup": [
{
"String": "PatentChemicalChemical"
},
{
"String": "Chemical"
},
{
"String": "ChemicalName"
},
{
"String": "NeighborName"
},
{
"String": "SUMMARY_URL.cid"
},
{
"String": "CID"
},
{
"String": "CID"
}
]
}
}
]
},
{
"TOCHeading": "Chemical-Disease Co-Occurrences in Patents",
"Description": "Disease co-occurrences in patents highlight chemicals and diseases mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.",
"Information": [
{
"ReferenceNumber": 210,
"Name": "Co-Occurrence Panel",
"Value": {
"StringWithMarkup": [
{
"String": "PatentChemicalDisease"
},
{
"String": "Disease"
},
{
"String": "ChemicalName"
},
{
"String": "NeighborName"
},
{
"String": "https://meshb.nlm.nih.gov/record/ui?ui="
},
{
"String": "CID"
},
{
"String": "MeSH"
}
]
}
}
]
},
{
"TOCHeading": "Chemical-Gene Co-Occurrences in Patents",
"Description": "Gene co-occurrences in patents highlight chemicals and genes mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.",
"Information": [
{
"ReferenceNumber": 210,
"Name": "Co-Occurrence Panel",
"Value": {
"StringWithMarkup": [
{
"String": "PatentChemicalGene"
},
{
"String": "Gene"
},
{
"String": "ChemicalName"
},
{
"String": "NeighborName"
},
{
"String": "https://pubchem.ncbi.nlm.nih.gov/gene/SYMBOL:"
},
{
"String": "CID"
},
{
"String": "GeneSymbol"
}
]
}
}
]
}
]
},
{
"TOCHeading": "Interactions and Pathways",
"Description": "This section provides information on the biomolecular interactions of this compound with drugs, genes, proteins, etc., as well as the pathways in which this compound is involved.",
"Section": [
{
"TOCHeading": "Protein Bound 3D Structures",
"Description": "Experimentally determined 3D structures of the macromolecules (e.g., proteins) that this compounds bind to. The 3D structures in this section are from multiple sources including the RCSB Protein Data Bank (PDB), PDB in Europe (PDBe), and NCBI Structure database.",
"Information": [
{
"ReferenceNumber": 159,
"Value": {
"ExternalTableName": "pdb"
}
},
{
"ReferenceNumber": 210,
"URL": "https://www.ncbi.nlm.nih.gov/structure?cmd=Link&LinkName=pccompound_structure&from_uid=2244",
"Value": {
"StringWithMarkup": [
{
"String": "View 8 proteins in NCBI Structure"
}
]
}
}
],
"Section": [
{
"TOCHeading": "Ligands from Protein Bound 3D Structures",
"Description": "Ligands found in experimental protein-ligand co-complexes (e.g., those archived in the Protein Data Bank in Europe (PDBe)).",
"URL": "https://www.ebi.ac.uk/pdbe/",
"DisplayControls": {
"CreateTable": {
"FromInformationIn": "Subsections",
"NumberOfColumns": 2,
"ColumnContents": [
"Name",
"Value"
]
},
"MoveToTop": true,
"ShowAtMost": 1
},
"Section": [
{
"TOCHeading": "PDBe Ligand Code",
"Description": "The ligand code for this compound used in the Protein Data Bank in Europe (PDBe).",
"Information": [
{
"ReferenceNumber": 157,
"URL": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/AIN",
"Value": {
"StringWithMarkup": [
{
"String": "AIN"
}
]
}
}
]
},
{
"TOCHeading": "PDBe Structure Code",
"Description": "The structure code for the Protein Data Bank in Europe (PDBe) protein-ligand co-complex from which the ligand's 3-D coordinates were taken.",
"Information": [
{
"ReferenceNumber": 157,
"URL": "http://www.ebi.ac.uk/pdbe/entry/pdb/1OXR",
"Value": {
"StringWithMarkup": [
{
"String": "1OXR"
}
]
}
}
]
},
{
"TOCHeading": "PDBe Conformer",
"Description": "The experimental protein-bound 3D structure of this compound in a protein-ligand co-complex archived in the Protein Data Bank in Europe (PDBe).",
"Information": [
{
"ReferenceNumber": 157,
"URL": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/AIN",
"Value": {
"ExternalDataURL": [
"https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/8193080_1"
],
"MimeType": "pubchem/compound-gzip-asnb"
}
}
]
}
]
}
]
},
{
"TOCHeading": "Chemical-Target Interactions",
"Description": "Interactions between targets and this compound",
"Information": [
{
"ReferenceNumber": 3,
"Value": {
"ExternalTableName": "consolidatedcompoundtarget"
}
},
{
"ReferenceNumber": 14,
"Value": {
"ExternalTableName": "consolidatedcompoundtarget"
}
},
{
"ReferenceNumber": 30,
"Value": {
"ExternalTableName": "consolidatedcompoundtarget"
}
},
{
"ReferenceNumber": 32,
"Value": {
"ExternalTableName": "collection=consolidatedcompoundtarget&query_type=name&query=^Acetylsalicylic acid$"
}
},
{
"ReferenceNumber": 76,
"Value": {
"ExternalTableName": "consolidatedcompoundtarget"
}
},
{
"ReferenceNumber": 195,
"Value": {
"ExternalTableName": "consolidatedcompoundtarget"
}
},
{
"ReferenceNumber": 198,
"Value": {
"ExternalTableName": "consolidatedcompoundtarget"
}
}
]
},
{
"TOCHeading": "Drug-Drug Interactions",
"Description": "Drug-drug interactions for this compound. Drug-drug interactions occur when two or more drugs react with each other. This drug-drug interaction may cause you to experience an unexpected side effect. For example, mixing a drug you take to help you sleep (a sedative) and a drug you take for allergies (an antihistamine) can slow your reactions and make driving a car or operating machinery dangerous.",
"URL": "https://www.fda.gov/drugs/resources-you-drugs/drug-interactions-what-you-should-know",
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"ExternalTableName": "collection=drugbankddi&query_type=name&query=^Acetylsalicylic acid$"
}
}
]
},
{
"TOCHeading": "Drug-Food Interactions",
"Description": "Drug-food interactions for this compound. Drug-food/beverage interactions result from drugs reacting with foods or beverages. For example, mixing alcohol with some drugs may cause you to feel tired or slow your reactions.",
"URL": "https://www.fda.gov/drugs/resources-you-drugs/drug-interactions-what-you-should-know",
"DisplayControls": {
"ListType": "Bulleted"
},
"Information": [
{
"ReferenceNumber": 32,
"Value": {
"StringWithMarkup": [
{
"String": "Avoid alcohol. Alcohol increases the risk of gastrointestinal bleeding."
},
{
"String": "Avoid herbs and supplements with anticoagulant/antiplatelet activity. Examples include garlic, ginger, bilberry, danshen, piracetam, and ginkgo biloba.",
"Markup": [
{
"Start": 122,
"Length": 9,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/piracetam",
"Type": "PubChem Internal Link",
"Extra": "CID-4843"
}
]
},
{
"String": "Take after a meal. This reduces irritating gastrointestinal effects."
},
{
"String": "Take with a full glass of water.",
"Markup": [
{
"Start": 26,
"Length": 5,
"URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
"Type": "PubChem Internal Link",
"Extra": "CID-962"
}
]
}
]
}
}
]
},
{
"TOCHeading": "Pathways",
"Description": "Biological pathways in which this compound is involved.",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"ExternalTableName": "collection=pathway&core=1"
}
}
]
}
]
},
{
"TOCHeading": "Biological Test Results",
"Description": "A PubChem substance or compound summary page displays biological test results from the PubChem BioAssay database, if/as available, for the chemical structure currently displayed. You can embed biological test results displays within your own web pages, for a PubChem Compound or Substance of interest, by using the BioActivity Widget.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/docs/widgets",
"Section": [
{
"TOCHeading": "BioAssay Results",
"Description": "Bioactivity data for this compound, reported in PubChem BioAssay records.",
"Information": [
{
"ReferenceNumber": 210,
"Value": {
"ExternalTableName": "bioactivity"
}
}
]
}
]
},
{
"TOCHeading": "Taxonomy",
"Description": "Organism-specific information about where this compound originated or is associated",
"Information": [
{
"ReferenceNumber": 80,
"Value": {
"ExternalTableName": "consolidatedcompoundtaxonomy"
}
},
{
"ReferenceNumber": 82,
"Reference": [
"The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106"
],
"Value": {
"ExternalTableName": "consolidatedcompoundtaxonomy"
}
},
{
"ReferenceNumber": 138,
"Value": {
"ExternalTableName": "consolidatedcompoundtaxonomy"
}
},
{
"ReferenceNumber": 199,
"Value": {
"ExternalTableName": "consolidatedcompoundtaxonomy"
}
}
]
},
{
"TOCHeading": "Classification",
"Description": "A set of concepts and categories in a subject area or domain that shows their properties and the relations between them.",
"Section": [
{
"TOCHeading": "MeSH Tree",
"Description": "The Medical Subject Headings (MeSH) tree for this entity. MeSH is a controlled and hierarchically-organized vocabulary produced by the National Library of Medicine.",
"URL": "https://www.nlm.nih.gov/mesh",
"Information": [
{
"ReferenceNumber": 211,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=1",
"Value": {
"Number": [
1
]
}
}
]
},
{
"TOCHeading": "NCI Thesaurus Tree",
"Description": "NCI Thesaurus (NCIt) hierarchy",
"URL": "https://ncithesaurus.nci.nih.gov",
"Information": [
{
"ReferenceNumber": 234,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=112",
"Value": {
"Number": [
112
]
}
}
]
},
{
"TOCHeading": "ChEBI Ontology",
"Description": "ChEBI Ontology tree. ChEBI is an acronym for Chemical Entities of Biological Interest, which is a freely available dictionary of molecular entities focused on 'small' chemical compounds. ChEBI incorporates an ontological classification, whereby the relationships between molecular entities or classes of entities and their parents and/or children are specified.",
"URL": "https://www.ebi.ac.uk/chebi/",
"Information": [
{
"ReferenceNumber": 212,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=2",
"Value": {
"Number": [
2
]
}
}
]
},
{
"TOCHeading": "KEGG: Drug",
"Description": "Classification/ontology tree for therapeutic categories of drugs in Japan, from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
"URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08301",
"Information": [
{
"ReferenceNumber": 213,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=14",
"Value": {
"Number": [
14
]
}
}
]
},
{
"TOCHeading": "KEGG: ATC",
"Description": "Anatomical Therapeutic Chemical (ATC) classification tree from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
"URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08303",
"Information": [
{
"ReferenceNumber": 214,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=16",
"Value": {
"Number": [
16
]
}
}
]
},
{
"TOCHeading": "KEGG: Target-based Classification of Drugs",
"Description": "Target-based classification tree of drugs, from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
"URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08310",
"Information": [
{
"ReferenceNumber": 215,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=22",
"Value": {
"Number": [
22
]
}
}
]
},
{
"TOCHeading": "KEGG: JP15",
"Description": "Classification/ontology tree for drugs listed in the Japanese Pharmacopoeia, from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
"URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08311",
"Information": [
{
"ReferenceNumber": 216,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=23",
"Value": {
"Number": [
23
]
}
}
]
},
{
"TOCHeading": "KEGG: Risk Category of Japanese OTC Drugs",
"Description": "Classification/ontology tree for the risk category of Japanese over-the-counter (OTC) drugs, from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
"URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08312",
"Information": [
{
"ReferenceNumber": 217,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=24",
"Value": {
"Number": [
24
]
}
}
]
},
{
"TOCHeading": "KEGG: OTC drugs",
"Description": "Japanese over-the-counter (OTC) drugs classification tree from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
"URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08313",
"Information": [
{
"ReferenceNumber": 218,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=25",
"Value": {
"Number": [
25
]
}
}
]
},
{
"TOCHeading": "KEGG: Drug Groups",
"Description": "KEGG : Drug Groups tree",
"Information": [
{
"ReferenceNumber": 227,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=96",
"Value": {
"Number": [
96
]
}
}
]
},
{
"TOCHeading": "KEGG: Drug Classes",
"Description": "Drug classes tree from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
"URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08332",
"Information": [
{
"ReferenceNumber": 237,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=118",
"Value": {
"Number": [
118
]
}
}
]
},
{
"TOCHeading": "WHO ATC Classification System",
"Description": "The Anatomical Therapeutic Chemical (ATC) Classification System is used for the classification of drugs. This pharmaceutical coding system divides drugs into different groups according to the organ or system on which they act and/or their therapeutic and chemical characteristics. Each bottom-level ATC code stands for a pharmaceutically used substance, or a combination of substances, in a single indication (or use). This means that one drug can have more than one code: acetylsalicylic acid (aspirin), for example, has A01AD05 as a drug for local oral treatment, B01AC06 as a platelet inhibitor, and N02BA01 as an analgesic and antipyretic. On the other hand, several different brands share the same code if they have the same active substance and indications.",
"URL": "https://www.who.int/tools/atc-ddd-toolkit/atc-classification",
"Information": [
{
"ReferenceNumber": 221,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=79",
"Value": {
"Number": [
79
]
}
}
]
},
{
"TOCHeading": "FDA Pharm Classes",
"Description": "Pharmacologic Class is a group of active moieties that share scientifically documented properties and is defined on the basis of any combination of three attributes of the active moiety: mechanism of action (MOA), physiologic effect (PE) and chemical structure (CS). An FDA \"Established Pharmacologic Class\" (EPC) text phrase is a pharmacologic class associated with an approved indication of an active moiety that the FDA has determined to be scientifically valid and clinically meaningful.",
"URL": "https://www.fda.gov/industry/structured-product-labeling-resources/pharmacologic-class",
"Information": [
{
"ReferenceNumber": 220,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=78",
"Value": {
"Number": [
78
]
}
}
]
},
{
"TOCHeading": "ChemIDplus",
"Description": "Classification of this compound, provided by ChemIDplus, which is a free web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases. ChemIDplus groups chemicals based on the source locators (i.e., what information resources have data for a given chemical).",
"URL": "https://chem.nlm.nih.gov/chemidplus/",
"Information": [
{
"ReferenceNumber": 223,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=84",
"Value": {
"Number": [
84
]
}
}
]
},
{
"TOCHeading": "CAMEO Chemicals",
"Description": "CAMEO chemical reactivity classification from CAMEO Chemicals, which is a database of hazardous chemical datasheets that emergency responders and planners can use to get response recommendations and predict hazards (e.g., explosions or toxic fumes).",
"URL": "https://cameochemicals.noaa.gov/",
"Information": [
{
"ReferenceNumber": 224,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=86",
"Value": {
"Number": [
86
]
}
}
]
},
{
"TOCHeading": "IUPHAR/BPS Guide to PHARMACOLOGY Target Classification",
"Description": "Classification of this entity in the context of targets, provided by the IUPHAR/BPS Guide to PHARMACOLOGY.",
"URL": "https://www.guidetopharmacology.org/",
"Information": [
{
"ReferenceNumber": 226,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=92",
"Value": {
"Number": [
92
]
}
}
]
},
{
"TOCHeading": "ChEMBL Target Tree",
"Description": "Classification of this entity in the context of targets, provided by ChEMBL.",
"URL": "https://www.ebi.ac.uk/chembl/",
"Information": [
{
"ReferenceNumber": 225,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=87",
"Value": {
"Number": [
87
]
}
}
]
},
{
"TOCHeading": "UN GHS Classification",
"Description": "The United Nations' Globally Harmonized System of Classification and Labelling of Chemicals (GHS) provides a harmonized basis for globally uniform physical, environmental, and health and safety information on hazardous chemical substances and mixtures.",
"URL": "https://unece.org/about-ghs",
"Information": [
{
"ReferenceNumber": 222,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=83",
"Value": {
"Number": [
83
]
}
}
]
},
{
"TOCHeading": "EPA CPDat Classification",
"Description": "Classification from the U.S. Environmental Protection Agency's CPDat (Chemical and Products Database). This database contains information mapping more than 49,000 chemicals to a set of terms categorizing their usage or function in 16,000 consumer products (e.g. shampoo, soap) types based on what chemicals they contain.",
"URL": "https://www.epa.gov/chemical-research/chemical-and-products-database-cpdat",
"Information": [
{
"ReferenceNumber": 228,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=99",
"Value": {
"Number": [
99
]
}
}
]
},
{
"TOCHeading": "NORMAN Suspect List Exchange Classification",
"Description": "A classification from the NORMAN Suspect List Exchange, which serve as a central access point to find lists of chemicals with environmental concerns.",
"URL": "https://www.norman-network.com/nds/SLE/",
"Information": [
{
"ReferenceNumber": 229,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101",
"Value": {
"Number": [
101
]
}
}
]
},
{
"TOCHeading": "CCSBase Classification",
"Description": "CCSbase is an integrated platform that contains collision cross section data for the compound. The CCSbase classification groups the compounds by the type of adduct ions that can be formed from them (e.g., [M-H]-, [M+H]+, [M+Na]+, [M+K]+).",
"URL": "https://ccsbase.net/",
"Information": [
{
"ReferenceNumber": 230,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=104",
"Value": {
"Number": [
104
]
}
}
]
},
{
"TOCHeading": "EPA DSSTox Classification",
"Description": "Classification from the U.S. Environmental Protection Agency's Distributed Structure-Searchable Toxicity (DSSTox) database. DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. A distinguishing feature of this effort is the accurate mapping of bioassay and physicochemical property data associated with chemical substances to their corresponding chemical structures. ",
"URL": "https://www.epa.gov/chemical-research/distributed-structure-searchable-toxicity-dsstox-database",
"Information": [
{
"ReferenceNumber": 231,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=105",
"Value": {
"Number": [
105
]
}
}
]
},
{
"TOCHeading": "EPA TSCA and CDR Classification",
"Description": "EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulation under TSCA. The chemical classification tree is created based on the TSCA substance regulatory flag, UVCB, and commercial activity status.",
"URL": "https://www.epa.gov/tsca-inventory",
"Information": [
{
"ReferenceNumber": 240,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=132",
"Value": {
"Number": [
132
]
}
}
]
},
{
"TOCHeading": "LOTUS Tree",
"Description": "Biological and chemical tree provided by the naturaL prOducTs occUrrence databaSe (LOTUS)",
"URL": "https://lotus.naturalproducts.net/",
"Information": [
{
"ReferenceNumber": 235,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=115",
"Value": {
"Number": [
115
]
}
}
]
},
{
"TOCHeading": "FDA Drug Type and Pharmacologic Classification",
"Description": "The FDA Drug Type and Pharmacologic Classification is based on the FDA drug type and pharm classes data from the National Drug Code (NDC) Directory.",
"Information": [
{
"ReferenceNumber": 236,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=116",
"Value": {
"Number": [
116
]
}
}
]
},
{
"TOCHeading": "EPA Substance Registry Services Tree",
"Description": "Substance Registry Services (SRS) is the Environmental Protection Agency's (EPA) central system for information about substances that are tracked or regulated by EPA or other sources. It is a resource for basic information about chemicals, biological organisms, and other substances of interest to EPA and its state and tribal partners. SRS makes it possible to identify which EPA data systems, environmental statutes, or other sources have information about a substance and which synonym is used by that system or statute.",
"Information": [
{
"ReferenceNumber": 239,
"Name": "HID",
"URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=123",
"Value": {
"Number": [
123
]
}
}
]
}
]
}
],
"Reference": [
{
"ReferenceNumber": 1,
"SourceName": "Australian Industrial Chemicals Introduction Scheme (AICIS)",
"SourceID": "as_415",
"Name": "Benzoic acid, 2-(acetyloxy)-",
"Description": "The Australian Industrial Chemicals Introduction Scheme (AICIS) helps protect the environment by finding out the risks of industrial chemicals and recommending ways to promote their safer use. They regulate chemicals (including polymers) that are manufactured or imported into Australia for an industrial use, such as in inks, paints, adhesives, solvents, cosmetics and personal care products, cleaning products, as well as in manufacturing, construction and mining applications.",
"URL": "https://services.industrialchemicals.gov.au/search-assessments/",
"LicenseURL": "https://www.industrialchemicals.gov.au/copyright",
"ANID": 39362759
},
{
"ReferenceNumber": 4,
"SourceName": "CAMEO Chemicals",
"SourceID": "19712",
"Name": "ACETYLSALICYLIC ACID",
"Description": "CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management.",
"URL": "https://cameochemicals.noaa.gov/chemical/19712",
"LicenseNote": "CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data.",
"LicenseURL": "https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=false",
"ANID": 756432
},
{
"ReferenceNumber": 5,
"SourceName": "CAS Common Chemistry",
"SourceID": "50-78-2",
"Name": "Aspirin",
"Description": "CAS Common Chemistry is an open community resource for accessing chemical information. Nearly 500,000 chemical substances from CAS REGISTRY cover areas of community interest, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes. This chemical information, curated by our expert scientists, is provided in alignment with our mission as a division of the American Chemical Society.",
"URL": "https://commonchemistry.cas.org/detail?cas_rn=50-78-2",
"LicenseNote": "The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.",
"LicenseURL": "https://creativecommons.org/licenses/by-nc/4.0/",
"ANID": 12749121
},
{
"ReferenceNumber": 11,
"SourceName": "ChemIDplus",
"SourceID": "0000050782",
"Name": "Aspirin [USP:BAN:JAN]",
"Description": "ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000050782",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html",
"IsToxnet": true,
"ANID": 761822
},
{
"ReferenceNumber": 32,
"SourceName": "DrugBank",
"SourceID": "DB00945",
"Name": "Acetylsalicylic acid",
"Description": "The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.",
"URL": "https://www.drugbank.ca/drugs/DB00945",
"LicenseNote": "Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)",
"LicenseURL": "https://www.drugbank.ca/legal/terms_of_use",
"ANID": 3594228
},
{
"ReferenceNumber": 41,
"SourceName": "DTP/NCI",
"SourceID": "NSC 755899",
"Name": "aspirin",
"Description": "The NCI Development Therapeutics Program (DTP) provides services and resources to the academic and private-sector research communities worldwide to facilitate the discovery and development of new cancer therapeutic agents.",
"URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755899",
"LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
"LicenseURL": "https://www.cancer.gov/policies/copyright-reuse",
"ANID": 6608871
},
{
"ReferenceNumber": 42,
"SourceName": "DTP/NCI",
"SourceID": "NSC 406186",
"Name": "aspirin",
"Description": "The NCI Development Therapeutics Program (DTP) provides services and resources to the academic and private-sector research communities worldwide to facilitate the discovery and development of new cancer therapeutic agents.",
"URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406186",
"LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
"LicenseURL": "https://www.cancer.gov/policies/copyright-reuse",
"ANID": 6719576
},
{
"ReferenceNumber": 43,
"SourceName": "DTP/NCI",
"SourceID": "NSC 27223",
"Name": "aspirin",
"Description": "The NCI Development Therapeutics Program (DTP) provides services and resources to the academic and private-sector research communities worldwide to facilitate the discovery and development of new cancer therapeutic agents.",
"URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27223",
"LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
"LicenseURL": "https://www.cancer.gov/policies/copyright-reuse",
"ANID": 6857704
},
{
"ReferenceNumber": 45,
"SourceName": "EPA Chemicals under the TSCA",
"SourceID": "1f10d3a50f8050bfb69ee31925b77fd7",
"Name": "Benzoic acid, 2-(acetyloxy)-",
"Description": "EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulations under TSCA.",
"URL": "https://www.epa.gov/chemicals-under-tsca",
"LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
"ANID": 38386736
},
{
"ReferenceNumber": 46,
"SourceName": "EPA DSSTox",
"SourceID": "DTXSID5020108",
"Name": "Aspirin",
"Description": "DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology.",
"URL": "https://comptox.epa.gov/dashboard/DTXSID5020108",
"LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
"ANID": 1148597
},
{
"ReferenceNumber": 49,
"SourceName": "European Chemicals Agency (ECHA)",
"SourceID": "200-064-1",
"Name": "O-acetylsalicylic acid",
"Description": "The European Chemicals Agency (ECHA) is an agency of the European Union which is the driving force among regulatory authorities in implementing the EU's groundbreaking chemicals legislation for the benefit of human health and the environment as well as for innovation and competitiveness.",
"URL": "https://chem.echa.europa.eu/100.000.059",
"LicenseNote": "Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: \"Source: European Chemicals Agency, http://echa.europa.eu/\". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.",
"LicenseURL": "https://echa.europa.eu/web/guest/legal-notice",
"ANID": 1977046
},
{
"ReferenceNumber": 52,
"SourceName": "FDA Global Substance Registration System (GSRS)",
"SourceID": "R16CO5Y76E",
"Name": "ASPIRIN",
"Description": "The FDA Global Substance Registration System (GSRS) enables the efficient and accurate exchange of information on what substances are in regulated products. Instead of relying on names, which vary across regulatory domains, countries, and regions, the GSRS knowledge base makes it possible for substances to be defined by standardized, scientific descriptions.",
"URL": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R16CO5Y76E",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 5790069
},
{
"ReferenceNumber": 56,
"SourceName": "Hazardous Substances Data Bank (HSDB)",
"SourceID": "652",
"Name": "ACETYLSALICYLIC ACID",
"Description": "The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/652",
"LicenseURL": "https://www.nlm.nih.gov/web_policies.html",
"IsToxnet": true,
"ANID": 586
},
{
"ReferenceNumber": 57,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879",
"Name": "Aspirin",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "http://www.hmdb.ca/metabolites/HMDB0001879",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 2143414
},
{
"ReferenceNumber": 74,
"SourceName": "ILO-WHO International Chemical Safety Cards (ICSCs)",
"SourceID": "0822",
"Name": "2-(ACETYLOXY)BENZOIC ACID",
"Description": "The International Chemical Safety Cards (ICSCs) are data sheets intended to provide essential safety and health information on chemicals in a clear and concise way. The primary aim of the Cards is to promote the safe use of chemicals in the workplace.",
"URL": "https://www.ilo.org/dyn/icsc/showcard.display?p_version=2&p_card_id=0822",
"LicenseNote": "Creative Commons CC BY 4.0",
"LicenseURL": "https://www.ilo.org/global/copyright/lang--en/index.htm",
"ANID": 2260702
},
{
"ReferenceNumber": 141,
"SourceName": "New Zealand Environmental Protection Authority (EPA)",
"SourceID": "f61a377ce0527686143d2939223fdeaf",
"Name": "Acetylsalicylic acid",
"Description": "The New Zealand Environmental Protection Authority is a government agency for regulating activities that affect Aotearoa New Zealand's environment.",
"URL": "https://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/",
"LicenseNote": "This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.",
"LicenseURL": "https://www.epa.govt.nz/about-this-site/general-copyright-statement/",
"ANID": 37153058
},
{
"ReferenceNumber": 155,
"SourceName": "Occupational Safety and Health Administration (OSHA)",
"SourceID": "384",
"Name": "ACETYLSALICYLIC ACID",
"Description": "The OSHA Occupational Chemical Database contains over 800 entries with information such as physical properties, exposure guidelines, etc.",
"URL": "https://www.osha.gov/chemicaldata/384",
"LicenseNote": "Materials created by the federal government are generally part of the public domain and may be used, reproduced and distributed without permission. Therefore, content on this website which is in the public domain may be used without the prior permission of the U.S. Department of Labor (DOL). Warning: Some content - including both images and text - may be the copyrighted property of others and used by the DOL under a license.",
"LicenseURL": "https://www.dol.gov/general/aboutdol/copyright",
"ANID": 3410860
},
{
"ReferenceNumber": 2,
"SourceName": "Australian Industrial Chemicals Introduction Scheme (AICIS)",
"SourceID": "inv_415",
"Name": "Benzoic acid, 2-(acetyloxy)-",
"Description": "The Australian Industrial Chemicals Introduction Scheme (AICIS) helps protect the environment by finding out the risks of industrial chemicals and recommending ways to promote their safer use. They regulate chemicals (including polymers) that are manufactured or imported into Australia for an industrial use, such as in inks, paints, adhesives, solvents, cosmetics and personal care products, cleaning products, as well as in manufacturing, construction and mining applications.",
"URL": "https://services.industrialchemicals.gov.au/search-inventory/",
"LicenseURL": "https://www.industrialchemicals.gov.au/copyright",
"ANID": 39399890
},
{
"ReferenceNumber": 3,
"SourceName": "BindingDB",
"SourceID": "Compound::22360",
"Name": "2-(acetyloxy)benzoate",
"Description": "The Binding Database projects aims to make experimental data on the noncovalent association of molecules in solution searchable via the WWW. The initial focus is on biomolecular systems, but data on host-guest and supramolecular systems are also important and being included over time.",
"URL": "https://www.bindingdb.org/rwd/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22360",
"LicenseNote": "All data curated by BindingDB staff are provided under the Creative Commons Attribution 3.0 License (https://creativecommons.org/licenses/by/3.0/us/).",
"LicenseURL": "https://www.bindingdb.org/rwd/bind/info.jsp",
"ANID": 19593358
},
{
"ReferenceNumber": 14,
"SourceName": "Comparative Toxicogenomics Database (CTD)",
"SourceID": "D001241::Compound",
"Name": "Aspirin",
"Description": "CTD is a robust, publicly available database that aims to advance understanding about how environmental exposures affect human health.",
"URL": "https://ctdbase.org/detail.go?type=chem&acc=D001241",
"LicenseNote": "It is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.",
"LicenseURL": "http://ctdbase.org/about/legal.jsp",
"ANID": 9023303
},
{
"ReferenceNumber": 30,
"SourceName": "Drug Gene Interaction database (DGIdb)",
"SourceID": "rxcui:1191",
"Name": "ASPIRIN",
"Description": "The Drug Gene Interaction Database (DGIdb, www.dgidb.org) is a web resource that consolidates disparate data sources describing drug - gene interactions and gene druggability.",
"URL": "https://www.dgidb.org/drugs/rxcui:1191",
"LicenseNote": "The data used in DGIdb is all open access and where possible made available as raw data dumps in the downloads section.",
"LicenseURL": "http://www.dgidb.org/downloads",
"ANID": 37458282
},
{
"ReferenceNumber": 76,
"SourceName": "IUPHAR/BPS Guide to PHARMACOLOGY",
"SourceID": "4139::Compound",
"Name": "aspirin",
"Description": "The IUPHAR database contains quantitative information on drug targets and the prescription medicines and experimental drugs that act on them.\u000AAll entries in BioAssay data are marked as active as our curation SOP means we only extract data from the literature for relatively potent compounds.",
"URL": "https://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4139",
"LicenseNote": "The Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)",
"LicenseURL": "https://www.guidetopharmacology.org/about.jsp#license",
"ANID": 19629119
},
{
"ReferenceNumber": 195,
"SourceName": "Therapeutic Target Database (TTD)",
"SourceID": "D0GY5Z",
"Name": "Aspirin",
"Description": "Therapeutic Target Database (TTD) is a database to provide information about the known and explored therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs directed at each of these targets.",
"URL": "https://idrblab.net/ttd/data/drug/details/D0GY5Z",
"ANID": 19776269
},
{
"ReferenceNumber": 198,
"SourceName": "Toxin and Toxin Target Database (T3DB)",
"SourceID": "Compound::T3D2936",
"Name": "Aspirin",
"Description": "The Toxin and Toxin Target Database (T3DB), or, soon to be referred as, the Toxic Exposome Database, is a unique bioinformatics resource that combines detailed toxin data with comprehensive toxin target information.",
"URL": "http://www.t3db.ca/toxins/T3D2936",
"LicenseNote": "T3DB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (T3DB) and the original publication.",
"LicenseURL": "http://www.t3db.ca/downloads",
"ANID": 20442764
},
{
"ReferenceNumber": 55,
"SourceName": "Haz-Map, Information on Hazardous Chemicals and Occupational Diseases",
"SourceID": "hz212",
"Name": "Acetylsalicylic acid",
"Description": "Haz-Map® is an occupational health database designed for health and safety professionals and for consumers seeking information about the adverse effects of workplace exposures to chemical and biological agents.",
"URL": "https://haz-map.com/Agents/212",
"LicenseNote": "Copyright (c) 2022 Haz-Map(R). All rights reserved.\u000AUnless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.",
"LicenseURL": "https://haz-map.com/About",
"ANID": 17276039
},
{
"ReferenceNumber": 193,
"SourceName": "The National Institute for Occupational Safety and Health (NIOSH)",
"SourceID": "npgd0010",
"Name": "Acetylsalicylic acid",
"Description": "The NIOSH Pocket Guide to Chemical Hazards is intended as a source of general industrial hygiene information on several hundred chemicals/classes for workers, employers, and occupational health professionals. Read more: https://www.cdc.gov/niosh/npg/",
"URL": "https://www.cdc.gov/niosh/npg/npgd0010.html",
"LicenseNote": "The information provided using CDC Web site is only intended to be general summary information to the public. It is not intended to take the place of either the written law or regulations.",
"LicenseURL": "https://www.cdc.gov/Other/disclaimer.html",
"ANID": 2266310
},
{
"ReferenceNumber": 8,
"SourceName": "ChEBI",
"SourceID": "CHEBI:OBO:2244",
"Name": "Acetylsalicylic acid",
"Description": "Chemical Entities of Biological Interest (ChEBI) is a database and ontology of molecular entities focused on 'small' chemical compounds, that is part of the Open Biomedical Ontologies effort. The term \"molecular entity\" refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity.",
"URL": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15365",
"ANID": 2477833
},
{
"ReferenceNumber": 54,
"SourceName": "FDA Pharm Classes",
"SourceID": "R16CO5Y76E",
"Name": "ASPIRIN",
"Description": "FDA Pharmacologic class is a group of active moieties that share scientifically documented properties and is defined on the basis of any combination of attributes of the active moiety. Read more at https://www.fda.gov/industry/structured-product-labeling-resources/pharmacologic-class",
"URL": "https://dailymed.nlm.nih.gov/dailymed/browse-drug-classes.cfm",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 6490206
},
{
"ReferenceNumber": 81,
"SourceName": "LiverTox",
"SourceID": "Aspirin",
"Name": "Aspirin",
"Description": "LIVERTOX provides up-to-date, accurate, and easily accessed information on the diagnosis, cause, frequency, patterns, and management of liver injury attributable to prescription and nonprescription medications, herbals and dietary supplements.",
"URL": "https://www.ncbi.nlm.nih.gov/books/n/livertox/Aspirin/",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html",
"IsToxnet": true,
"ANID": 2261664
},
{
"ReferenceNumber": 82,
"SourceName": "LOTUS - the natural products occurrence database",
"SourceID": "Q18216",
"Name": "Aspirin",
"Description": "LOTUS is one of the biggest and best annotated resources for natural products occurrences available free of charge and without any restriction.",
"URL": "https://www.wikidata.org/wiki/Q18216",
"LicenseNote": "The code for LOTUS is released under the GNU General Public License v3.0.",
"LicenseURL": "https://lotus.nprod.net/",
"ANID": 19832958
},
{
"ReferenceNumber": 140,
"SourceName": "NCI Thesaurus (NCIt)",
"SourceID": "C287::Compound",
"Description": "NCI Thesaurus (NCIt), from the U.S. National Cancer Institute, provides reference terminology for many NCI and other systems. It covers vocabulary for clinical care, translational and basic research, and public information and administrative activities.",
"URL": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C287",
"LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
"LicenseURL": "https://www.cancer.gov/policies/copyright-reuse",
"ANID": 14394424
},
{
"ReferenceNumber": 174,
"SourceName": "The CA Office of Environmental Health Hazard Assessment (OEHHA)",
"SourceID": "25624:2244",
"Name": "Aspirin",
"Description": "The CA Office of Environmental Health Hazard Assessment (OEHHA) is the lead state agency for the assessment of health risks posed by environmental contaminants. OEHHA implements the Safe Drinking Water and Toxic Enforcement Act of 1986, commonly known as Proposition 65, and compiles the state's list of substances that cause cancer or reproductive harm.",
"URL": "https://oehha.ca.gov/proposition-65/chemicals/aspirin",
"ANID": 39338484
},
{
"ReferenceNumber": 6,
"SourceName": "CCSbase",
"SourceID": "953217859",
"Name": "Acetylsalicylic Acid",
"Description": "CCSbase curates experimental collision cross section values measured on various ion mobility platforms as a resource for the research community. CCSbase also builds prediction models for comprehensive prediction of collision cross sections for a given molecule.",
"ANID": 38986949
},
{
"ReferenceNumber": 7,
"SourceName": "CCSbase",
"SourceID": "4207165683",
"Name": "ASPIRIN",
"Description": "CCSbase curates experimental collision cross section values measured on various ion mobility platforms as a resource for the research community. CCSbase also builds prediction models for comprehensive prediction of collision cross sections for a given molecule.",
"ANID": 38988049
},
{
"ReferenceNumber": 154,
"SourceName": "NORMAN Suspect List Exchange",
"SourceID": "nrm_2244",
"Name": "Aspirin (Acetylsalicylic acid)",
"Description": "The NORMAN network enhances the exchange of information on emerging environmental substances, and encourages the validation and harmonisation of common measurement methods and monitoring tools so that the requirements of risk assessors and risk managers can be better met. The NORMAN Suspect List Exchange (NORMAN-SLE) is a central access point to find suspect lists relevant for various environmental monitoring questions, described in DOI:10.1186/s12302-022-00680-6",
"LicenseNote": "Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0",
"LicenseURL": "https://creativecommons.org/licenses/by/4.0/",
"ANID": 9046529
},
{
"ReferenceNumber": 9,
"SourceName": "ChEMBL",
"SourceID": "Compound::CHEMBL25",
"Description": "ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug-like properties. It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory (EMBL), based at the Wellcome Trust Genome Campus, Hinxton, UK.",
"URL": "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL25/",
"LicenseNote": "Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).",
"LicenseURL": "http://www.ebi.ac.uk/Information/termsofuse.html",
"ANID": 31241574
},
{
"ReferenceNumber": 10,
"SourceName": "ChEMBL",
"SourceID": "Compound::2244",
"Description": "ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug-like properties. It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory (EMBL), based at the Wellcome Trust Genome Campus, Hinxton, UK.",
"LicenseNote": "Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).",
"LicenseURL": "http://www.ebi.ac.uk/Information/termsofuse.html",
"ANID": 33563123
},
{
"ReferenceNumber": 75,
"SourceName": "IUPAC Digitized pKa Dataset",
"SourceID": "iu_496132457",
"Name": "benzoic acid, 2-acetoxy-",
"Description": "The IUPAC Digitized pKa Dataset is an ongoing digitization of \"high-confidence\" pKa data from three reference works of Serjeant (1979), Perrin (1965) and Perrin Supplement (1972).",
"URL": "https://github.com/IUPAC/Dissociation-Constants",
"ANID": 39300679
},
{
"ReferenceNumber": 12,
"SourceName": "ChemIDplus",
"SourceID": "r_134971785",
"Description": "The toxicity data was from the legacy RTECS data set in ChemIDplus.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000050782",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html",
"IsToxnet": true,
"ANID": 19463746
},
{
"ReferenceNumber": 13,
"SourceName": "ClinicalTrials.gov",
"SourceID": "cid2244",
"Description": "ClinicalTrials.gov is an NIH registry and results database of publicly and privately supported clinical studies of human participants conducted around the world.",
"URL": "https://clinicaltrials.gov/",
"LicenseNote": "The ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.",
"LicenseURL": "https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use",
"ANID": 5186241
},
{
"ReferenceNumber": 194,
"SourceName": "Therapeutic Target Database (TTD)",
"SourceID": "D07DPI",
"Name": "Aspirin/ esomeprazole fixed-dose combination",
"Description": "Therapeutic Target Database (TTD) is a database to provide information about the known and explored therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs directed at each of these targets.",
"URL": "https://idrblab.net/ttd/data/drug/details/D07DPI",
"ANID": 19769597
},
{
"ReferenceNumber": 196,
"SourceName": "Therapeutic Target Database (TTD)",
"SourceID": "D0G1EC",
"Name": "Aspirin",
"Description": "Therapeutic Target Database (TTD) is a database to provide information about the known and explored therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs directed at each of these targets.",
"URL": "https://idrblab.net/ttd/data/drug/details/D0G1EC",
"ANID": 37398478
},
{
"ReferenceNumber": 15,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "1515581",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/1515581.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30583678
},
{
"ReferenceNumber": 16,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "1515582",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/1515582.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30583679
},
{
"ReferenceNumber": 17,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "2104857",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/2104857.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30617807
},
{
"ReferenceNumber": 18,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "4506597",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/4506597.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30728871
},
{
"ReferenceNumber": 19,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "5000034",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/5000034.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30734727
},
{
"ReferenceNumber": 20,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7050897",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7050897.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30759805
},
{
"ReferenceNumber": 21,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7050898",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7050898.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30759806
},
{
"ReferenceNumber": 22,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7050899",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7050899.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30759807
},
{
"ReferenceNumber": 23,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7050900",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7050900.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30759808
},
{
"ReferenceNumber": 24,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7050901",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7050901.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30759809
},
{
"ReferenceNumber": 25,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7050902",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7050902.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30759810
},
{
"ReferenceNumber": 26,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7050903",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7050903.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30759811
},
{
"ReferenceNumber": 27,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "7126911",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"URL": "https://www.crystallography.net/cod/7126911.html",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30778522
},
{
"ReferenceNumber": 28,
"SourceName": "Crystallography Open Database (COD)",
"SourceID": "CID 2244",
"Description": "The Crystallography Open Database is an open-access collection of crystal structures of organic, inorganic, metal-organic compounds, and minerals, excluding biopolymers.",
"LicenseNote": "All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 30811434
},
{
"ReferenceNumber": 175,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 185472",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=185472",
"ANID": 3319169
},
{
"ReferenceNumber": 176,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 185473",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=185473",
"ANID": 3319170
},
{
"ReferenceNumber": 177,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 185474",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=185474",
"ANID": 3319171
},
{
"ReferenceNumber": 178,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 185475",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=185475",
"ANID": 3319172
},
{
"ReferenceNumber": 179,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 195133",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=195133",
"ANID": 3320907
},
{
"ReferenceNumber": 180,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 195134",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=195134",
"ANID": 3320908
},
{
"ReferenceNumber": 181,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 195135",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=195135",
"ANID": 3320909
},
{
"ReferenceNumber": 182,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 195136",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=195136",
"ANID": 3320910
},
{
"ReferenceNumber": 183,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 195137",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=195137",
"ANID": 3320911
},
{
"ReferenceNumber": 184,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 195138",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=195138",
"ANID": 3320912
},
{
"ReferenceNumber": 185,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 195139",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=195139",
"ANID": 3320913
},
{
"ReferenceNumber": 186,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 293519",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=293519",
"ANID": 3339933
},
{
"ReferenceNumber": 187,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 610952",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=610952",
"ANID": 3343333
},
{
"ReferenceNumber": 188,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 617840",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=617840",
"ANID": 3344673
},
{
"ReferenceNumber": 189,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 810889",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=810889",
"ANID": 3381958
},
{
"ReferenceNumber": 190,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 820697",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=820697",
"ANID": 3383938
},
{
"ReferenceNumber": 191,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 820698",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=820698",
"ANID": 3383939
},
{
"ReferenceNumber": 192,
"SourceName": "The Cambridge Structural Database",
"SourceID": "CCDC 904406",
"Description": "The Cambridge Structural Database provides access to 3D structures of molecules determined experimentally using diffraction techniques.",
"URL": "https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=904406",
"ANID": 3399057
},
{
"ReferenceNumber": 29,
"SourceName": "DailyMed",
"SourceID": "5eae29c3eeb172fd9ffa53de662d4441",
"Name": "ASPIRIN",
"Description": "The U.S. National Library of Medicine's DailyMed provides trustworthy information about marketed drugs. DailyMed is the official provider of FDA label information (package inserts).",
"URL": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?labeltype=all&query=ASPIRIN",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html",
"ANID": 30958150
},
{
"ReferenceNumber": 31,
"SourceName": "Drug Induced Liver Injury Rank (DILIrank) Dataset",
"SourceID": "LT00053",
"Name": "aspirin",
"Description": "Drug-Induced Liver Injury Rank (DILIrank) Dataset is a list of drugs ranked by their risk for developing DILI in humans.",
"URL": "https://www.fda.gov/science-research/liver-toxicity-knowledge-base-ltkb/drug-induced-liver-injury-rank-dilirank-dataset",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 12652136
},
{
"ReferenceNumber": 33,
"SourceName": "Drugs and Lactation Database (LactMed)",
"SourceID": "LM332",
"Name": "Aspirin",
"Description": "The LactMed(R) database contains information on drugs and other chemicals to which breastfeeding mothers may be exposed. https://www.ncbi.nlm.nih.gov/books/NBK501922/",
"URL": "https://www.ncbi.nlm.nih.gov/books/n/lactmed/LM332/",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html",
"ANID": 24796847
},
{
"ReferenceNumber": 34,
"SourceName": "Drugs@FDA",
"SourceID": "5eae29c3eeb172fd9ffa53de662d4441",
"Name": "ASPIRIN",
"Description": "Drugs@FDA includes most of the drug products approved for human use since 1939. This includes prescription, generic, over-the-counter and therapeutic biological products. The majority of patient information, labels, approval letters and reviews are available for drug products approved since 1998.",
"URL": "https://www.accessdata.fda.gov/scripts/cder/daf/",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38969638
},
{
"ReferenceNumber": 35,
"SourceName": "Drugs@FDA",
"SourceID": "7f68f49cc0fe5d87bd695167060d9d5a",
"Name": "BAYER EXTRA STRENGTH ASPIRIN FOR MIGRAINE PAIN",
"Description": "Drugs@FDA includes most of the drug products approved for human use since 1939. This includes prescription, generic, over-the-counter and therapeutic biological products. The majority of patient information, labels, approval letters and reviews are available for drug products approved since 1998.",
"URL": "https://www.accessdata.fda.gov/scripts/cder/daf/",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38972175
},
{
"ReferenceNumber": 36,
"SourceName": "Drugs@FDA",
"SourceID": "0bf14407487e37f70391b03661a5e5ac",
"Name": "ASPIRIN",
"Description": "Drugs@FDA includes most of the drug products approved for human use since 1939. This includes prescription, generic, over-the-counter and therapeutic biological products. The majority of patient information, labels, approval letters and reviews are available for drug products approved since 1998.",
"URL": "https://www.accessdata.fda.gov/scripts/cder/daf/",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38973277
},
{
"ReferenceNumber": 37,
"SourceName": "Drugs@FDA",
"SourceID": "e6fcb30c3dd992b0cd16c0b80b94fcf8",
"Name": "8-HOUR BAYER",
"Description": "Drugs@FDA includes most of the drug products approved for human use since 1939. This includes prescription, generic, over-the-counter and therapeutic biological products. The majority of patient information, labels, approval letters and reviews are available for drug products approved since 1998.",
"URL": "https://www.accessdata.fda.gov/scripts/cder/daf/",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38974493
},
{
"ReferenceNumber": 38,
"SourceName": "Drugs@FDA",
"SourceID": "c27d170e4782ca85b4bf1e9d2b6beb34",
"Name": "VAZALORE",
"Description": "Drugs@FDA includes most of the drug products approved for human use since 1939. This includes prescription, generic, over-the-counter and therapeutic biological products. The majority of patient information, labels, approval letters and reviews are available for drug products approved since 1998.",
"URL": "https://www.accessdata.fda.gov/scripts/cder/daf/",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38975449
},
{
"ReferenceNumber": 39,
"SourceName": "Drugs@FDA",
"SourceID": "5ba7da1a15d5b01cfa1c5ab6543bfb34",
"Name": "DURLAZA",
"Description": "Drugs@FDA includes most of the drug products approved for human use since 1939. This includes prescription, generic, over-the-counter and therapeutic biological products. The majority of patient information, labels, approval letters and reviews are available for drug products approved since 1998.",
"URL": "https://www.accessdata.fda.gov/scripts/cder/daf/",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38978804
},
{
"ReferenceNumber": 40,
"SourceName": "Drugs@FDA",
"SourceID": "a3e020cb6cc8e41786d6c4438b52d873",
"Name": "MEASURIN",
"Description": "Drugs@FDA includes most of the drug products approved for human use since 1939. This includes prescription, generic, over-the-counter and therapeutic biological products. The majority of patient information, labels, approval letters and reviews are available for drug products approved since 1998.",
"URL": "https://www.accessdata.fda.gov/scripts/cder/daf/",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38979117
},
{
"ReferenceNumber": 44,
"SourceName": "EPA Chemical and Products Database (CPDat)",
"SourceID": "15227_DTXSID5020108",
"Name": "",
"Description": "The US EPA Chemical and Products Database (CPDat) is a database containing information mapping more than 49,000 chemicals to a set of terms categorizing their usage or function in 16,000 consumer products (e.g. shampoo, soap) types based on what chemicals they contain.",
"URL": "https://comptox.epa.gov/dashboard/DTXSID5020108#exposure",
"LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
"ANID": 13736336
},
{
"ReferenceNumber": 47,
"SourceName": "EU Clinical Trials Register",
"SourceID": "cid2244",
"Description": "The EU Clinical Trials Register contains information on interventional clinical trials on medicines conducted in the European Union (EU), or the European Economic Area (EEA) which started after 1 May 2004.",
"URL": "https://www.clinicaltrialsregister.eu/",
"ANID": 6479017
},
{
"ReferenceNumber": 48,
"SourceName": "European Chemicals Agency (ECHA)",
"SourceID": "88331",
"Name": "O-acetylsalicylic acid",
"Description": "The information provided here is aggregated from the \"Notified classification and labelling\" from ECHA's C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database",
"URL": "https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/88331",
"LicenseNote": "Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: \"Source: European Chemicals Agency, http://echa.europa.eu/\". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.",
"LicenseURL": "https://echa.europa.eu/web/guest/legal-notice",
"ANID": 1877126
},
{
"ReferenceNumber": 150,
"SourceName": "NITE-CMC",
"SourceID": "633",
"Name": "Aspirin - FY2006 (New/original classication)",
"Description": "The chemical classification in this section was conducted by the Chemical Management Center (CMC) of Japan National Institute of Technology and Evaluation (NITE) in accordance with GHS Classification Guidance for the Japanese Government, and is intended to provide a reference for preparing GHS labelling and SDS for users.",
"URL": "https://www.nite.go.jp/chem/english/ghs/06-imcg-0625e.html",
"ANID": 8786968
},
{
"ReferenceNumber": 151,
"SourceName": "NITE-CMC",
"SourceID": "H26_B_005__",
"Name": "Acetylsalicyclic acid - FY2014 (Revised classification)",
"Description": "The chemical classification in this section was conducted by the Chemical Management Center (CMC) of Japan National Institute of Technology and Evaluation (NITE) in accordance with GHS Classification Guidance for the Japanese Government, and is intended to provide a reference for preparing GHS labelling and SDS for users.",
"URL": "https://www.nite.go.jp/chem/english/ghs/14-mhlw-2005e.html",
"ANID": 39311424
},
{
"ReferenceNumber": 50,
"SourceName": "FDA Approved Animal Drug Products (Green Book)",
"SourceID": "act_Acetylsalicylic Acid",
"Name": "Acetylsalicylic Acid",
"Description": "Animal drug and active ingredient information from the FDA Green Book.",
"URL": "https://www.fda.gov/animal-veterinary/products/approved-animal-drug-products-green-book",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38980158
},
{
"ReferenceNumber": 53,
"SourceName": "FDA Orange Book",
"SourceID": "fed968a7ae39c99920dab6c54b5a97eb",
"Name": "ASPIRIN",
"Description": "The publication, Approved Drug Products with Therapeutic Equivalence Evaluations (the List, commonly known as the Orange Book), identifies drug products approved on the basis of safety and effectiveness by the Food and Drug Administration (FDA) under the Federal Food, Drug, and Cosmetic Act (the Act).",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/approved-drug-products-therapeutic-equivalence-evaluations-orange-book",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 35233905
},
{
"ReferenceNumber": 51,
"SourceName": "FDA Approved Animal Drug Products (Green Book)",
"SourceID": "tbl_Aspirin",
"Name": "Aspirin",
"Description": "Animal drug and active ingredient information from the FDA Green Book.",
"URL": "https://www.fda.gov/animal-veterinary/products/approved-animal-drug-products-green-book",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 38980642
},
{
"ReferenceNumber": 122,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "c0506d64ab3bcd1c6622ff669b481e68",
"Name": "ACETYLSALICYCLIC ACID",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31084608
},
{
"ReferenceNumber": 123,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "b04b57cf473b881b66ef5ccfe8f11174",
"Name": "ACETYLSALICYLIC ACID",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31084609
},
{
"ReferenceNumber": 124,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "13cd8cd90b465c0f0715db0b9b403f06",
"Name": "ALKA-SELTZER ORIGINAL FLAVOR",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31084708
},
{
"ReferenceNumber": 125,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "039c486e9022184ab0e2b74cf4a04a63",
"Name": "ASPIRIN",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085086
},
{
"ReferenceNumber": 126,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "b576227791a800766ccd6ec3a9535826",
"Name": "ASPIRIN 325 MG",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085087
},
{
"ReferenceNumber": 127,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "4d377ba13ff6ff4335a112b79ec5a326",
"Name": "ASPIRIN 325MG",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085088
},
{
"ReferenceNumber": 128,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "0aea67113f1548ec024247d472aad27b",
"Name": "ASPIRIN 81 MG",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085089
},
{
"ReferenceNumber": 129,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "3e2190152dac07a1ca1c4356aa50a9a0",
"Name": "ASPIRIN 81 MG DELAYED RELEASE TABLETS",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085090
},
{
"ReferenceNumber": 130,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "6bcade380378cf7d4374588429b80a7d",
"Name": "ASPIRIN 81MG",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085091
},
{
"ReferenceNumber": 131,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "1b2ec7583e4e05e302db419111237456",
"Name": "ASPIRIN ENTERIC COATED TABLETS 81 MG",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085097
},
{
"ReferenceNumber": 132,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "0cbe77832a38a162cb9b3baa3c3dab78",
"Name": "ASPIRIN TABLET 325MG",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085098
},
{
"ReferenceNumber": 133,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "c90605ea6d65252bb72fe56e518b0f35",
"Name": "BAYER ASPIRIN EXTRA STRENGTH",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085312
},
{
"ReferenceNumber": 134,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "ccacc37120a737c3ba5e86350a9494f4",
"Name": "BAYER GENUINE ASPIRIN",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085313
},
{
"ReferenceNumber": 135,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "4466e1a4f0acc031b5671fff4329fca1",
"Name": "BUFFERED ASPIRIN, EFFERVESCENT TABLET",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31085589
},
{
"ReferenceNumber": 136,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "ce76849dfd70efddf81a2c32c7e720b8",
"Name": "REGULAR STRENGTH ENTERIC COATED ASPIRIN",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31089405
},
{
"ReferenceNumber": 137,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "f20194a2e13e5213b58bc1a050a3e5f8",
"Name": "BUFFERED ASPIRIN",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 35279835
},
{
"ReferenceNumber": 153,
"SourceName": "NMRShiftDB",
"SourceID": "20038075",
"Description": "NMRShiftDB(2) is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. http://nmrshiftdb.nmr.uni-koeln.de/",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/840714",
"ANID": 6437941
},
{
"ReferenceNumber": 166,
"SourceName": "SpectraBase",
"SourceID": "7ZdLb5TGbEA",
"Name": "Acetylsalicylic acid",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/7ZdLb5TGbEA",
"ANID": 4686310
},
{
"ReferenceNumber": 171,
"SourceName": "SpectraBase",
"SourceID": "ArwxdIQlxna",
"Name": "Acetylsalicylic acid",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/ArwxdIQlxna",
"ANID": 9917696
},
{
"ReferenceNumber": 83,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_1",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13621563
},
{
"ReferenceNumber": 104,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_22",
"Name": "ACETYLSALICYLIC ACID",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13651785
},
{
"ReferenceNumber": 105,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_23",
"Name": "ACETYL SALYCYLIC ACID",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13672450
},
{
"ReferenceNumber": 106,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_24",
"Name": "Acetylsalicylic acid",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13691528
},
{
"ReferenceNumber": 116,
"SourceName": "MassBank of North America (MoNA)",
"SourceID": "PS101902",
"Name": "Acetylsalicylic acid",
"Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 34 MS data records(34 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27BSYNRYMUTXBXSQ-UHFFFAOYSA-N%27)",
"LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
"LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
"ANID": 8286142
},
{
"ReferenceNumber": 58,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_cms_1003",
"Name": "HMDB0001879_cms_1003",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15324417
},
{
"ReferenceNumber": 59,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_cms_27401",
"Name": "HMDB0001879_cms_27401",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15324418
},
{
"ReferenceNumber": 60,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_cms_27421",
"Name": "HMDB0001879_cms_27421",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15324419
},
{
"ReferenceNumber": 61,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_cms_30117",
"Name": "HMDB0001879_cms_30117",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15324420
},
{
"ReferenceNumber": 62,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_cms_30469",
"Name": "HMDB0001879_cms_30469",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15324421
},
{
"ReferenceNumber": 63,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_cms_31361",
"Name": "HMDB0001879_cms_31361",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15324422
},
{
"ReferenceNumber": 107,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_25",
"Name": "Acetylsalicylic acid",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13698140
},
{
"ReferenceNumber": 113,
"SourceName": "MassBank of North America (MoNA)",
"SourceID": "JP003093",
"Name": "ACETYLSALICYLIC ACID",
"Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 34 MS data records(34 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27BSYNRYMUTXBXSQ-UHFFFAOYSA-N%27)",
"LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
"LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
"ANID": 3418990
},
{
"ReferenceNumber": 114,
"SourceName": "MassBank of North America (MoNA)",
"SourceID": "JP003149",
"Name": "ACETYL SALYCYLIC ACID",
"Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 34 MS data records(34 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27BSYNRYMUTXBXSQ-UHFFFAOYSA-N%27)",
"LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
"LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
"ANID": 3419039
},
{
"ReferenceNumber": 115,
"SourceName": "MassBank of North America (MoNA)",
"SourceID": "OUF00091",
"Name": "Acetylsalicylic acid",
"Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 34 MS data records(34 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27BSYNRYMUTXBXSQ-UHFFFAOYSA-N%27)",
"LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
"LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
"ANID": 8281570
},
{
"ReferenceNumber": 143,
"SourceName": "NIST Mass Spectrometry Data Center",
"SourceID": "GC-MS #1 for BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Name": "Aspirin",
"Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
"URL": "http://www.nist.gov/srd/nist1a.cfm",
"LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
"LicenseURL": "https://www.nist.gov/srd/public-law",
"ANID": 107405
},
{
"ReferenceNumber": 144,
"SourceName": "NIST Mass Spectrometry Data Center",
"SourceID": "GC-MS #2 for BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Name": "Aspirin",
"Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
"URL": "http://www.nist.gov/srd/nist1a.cfm",
"LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
"LicenseURL": "https://www.nist.gov/srd/public-law",
"ANID": 266476
},
{
"ReferenceNumber": 145,
"SourceName": "NIST Mass Spectrometry Data Center",
"SourceID": "GC-MS #3 for BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Name": "Aspirin",
"Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
"URL": "http://www.nist.gov/srd/nist1a.cfm",
"LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
"LicenseURL": "https://www.nist.gov/srd/public-law",
"ANID": 266477
},
{
"ReferenceNumber": 146,
"SourceName": "NIST Mass Spectrometry Data Center",
"SourceID": "GC-MS #4 for BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Name": "Aspirin",
"Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
"URL": "http://www.nist.gov/srd/nist1a.cfm",
"LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
"LicenseURL": "https://www.nist.gov/srd/public-law",
"ANID": 266479
},
{
"ReferenceNumber": 147,
"SourceName": "NIST Mass Spectrometry Data Center",
"SourceID": "GC-MS #5 for BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Name": "Aspirin",
"Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
"URL": "http://www.nist.gov/srd/nist1a.cfm",
"LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
"LicenseURL": "https://www.nist.gov/srd/public-law",
"ANID": 266480
},
{
"ReferenceNumber": 160,
"SourceName": "SpectraBase",
"SourceID": "VEyU80HVqz",
"Name": "Acetylsalicylic acid",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/VEyU80HVqz",
"ANID": 4686301
},
{
"ReferenceNumber": 161,
"SourceName": "SpectraBase",
"SourceID": "F2hhMNoooB3",
"Name": "Acetylsalicylic acid",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/F2hhMNoooB3",
"ANID": 4686302
},
{
"ReferenceNumber": 64,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_nmr_one_1776",
"Name": "HMDB0001879_nmr_one_1776",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15339229
},
{
"ReferenceNumber": 65,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_nmr_one_2407",
"Name": "HMDB0001879_nmr_one_2407",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15339230
},
{
"ReferenceNumber": 163,
"SourceName": "SpectraBase",
"SourceID": "3P5kd0002UC",
"Name": "SALICYLIC ACID, ACETATE",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/3P5kd0002UC",
"ANID": 4686306
},
{
"ReferenceNumber": 165,
"SourceName": "SpectraBase",
"SourceID": "67V44jWOjef",
"Name": "salicylic acid, acetate",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/67V44jWOjef",
"ANID": 4686308
},
{
"ReferenceNumber": 66,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_nmr_one_3097",
"Name": "HMDB0001879_nmr_one_3097",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15339231
},
{
"ReferenceNumber": 164,
"SourceName": "SpectraBase",
"SourceID": "4IMNy32V8sS",
"Name": "SALICYLIC ACID, ACETATE",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/4IMNy32V8sS",
"ANID": 4686307
},
{
"ReferenceNumber": 169,
"SourceName": "SpectraBase",
"SourceID": "DamMbrx06Rv",
"Name": "BENZOIC ACID, 2-(ACETYLOXY)-",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/DamMbrx06Rv",
"ANID": 9917660
},
{
"ReferenceNumber": 67,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_nmr_two_1716",
"Name": "HMDB0001879_nmr_two_1716",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 15339232
},
{
"ReferenceNumber": 68,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_msms_2236193",
"Name": "HMDB0001879_msms_2236193",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 19274288
},
{
"ReferenceNumber": 69,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_msms_2236667",
"Name": "HMDB0001879_msms_2236667",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 19274289
},
{
"ReferenceNumber": 70,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_msms_2236693",
"Name": "HMDB0001879_msms_2236693",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 19274290
},
{
"ReferenceNumber": 71,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_msms_1777",
"Name": "HMDB0001879_msms_1777",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 27238787
},
{
"ReferenceNumber": 72,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_msms_1778",
"Name": "HMDB0001879_msms_1778",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 27238788
},
{
"ReferenceNumber": 73,
"SourceName": "Human Metabolome Database (HMDB)",
"SourceID": "HMDB0001879_msms_1779",
"Name": "HMDB0001879_msms_1779",
"Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
"URL": "https://hmdb.ca/metabolites/HMDB0001879#spectra",
"LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
"LicenseURL": "http://www.hmdb.ca/citing",
"ANID": 27238789
},
{
"ReferenceNumber": 148,
"SourceName": "NIST Mass Spectrometry Data Center",
"SourceID": "MS-MS #1 for BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Name": "Acetylsalicylic acid",
"Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
"URL": "http://www.nist.gov/srd/nist1a.cfm",
"LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
"LicenseURL": "https://www.nist.gov/srd/public-law",
"ANID": 283045
},
{
"ReferenceNumber": 77,
"SourceName": "Japan Chemical Substance Dictionary (Nikkaji)",
"SourceID": "J2.300K",
"Description": "The Japan Chemical Substance Dictionary (Nikkaji) has a search system that helps obtain knowledge from dissimilar fields and discover concepts that cross boundaries of specializations.",
"URL": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.300K",
"ANID": 23061708
},
{
"ReferenceNumber": 78,
"SourceName": "KEGG",
"SourceID": "C01405",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "https://www.kegg.jp/entry/C01405",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html",
"ANID": 31098551
},
{
"ReferenceNumber": 79,
"SourceName": "KEGG",
"SourceID": "D00109",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "https://www.kegg.jp/entry/D00109",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html",
"ANID": 31109894
},
{
"ReferenceNumber": 80,
"SourceName": "KNApSAcK Species-Metabolite Database",
"SourceID": "Compound::C00054084",
"Name": "2-Acetoxybenzoic acid",
"Description": "KNApSAcK is a comprehensive species-metabolite relationship database for analyzing datasets of mass spectra that are prepared according to a particular format, as well as for retrieving information on metabolites.",
"URL": "http://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00054084",
"ANID": 20110068
},
{
"ReferenceNumber": 138,
"SourceName": "Natural Product Activity and Species Source (NPASS)",
"SourceID": "NPC311219",
"Name": "Aspirin",
"Description": "The Natural Product Activity and Species Source Database (NPASS) is developed to provide a freely accessible database integrating detailed information of species sources and biological activities of natural products.",
"URL": "https://bidd.group/NPASS/compound.php?compoundID=NPC311219",
"ANID": 20376594
},
{
"ReferenceNumber": 199,
"SourceName": "West Coast Metabolomics Center-UC Davis",
"SourceID": "1.41_179.04",
"Name": "O-Acetylsalicylic acid",
"Description": "The West Coast Metabolomics Center (WCMC) at the University of California Davis develops and applies liquid/gas chromatography and mass spectrometry assays and computational methods for measuring small molecules in biospecimens.",
"ANID": 19795425
},
{
"ReferenceNumber": 84,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_2",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635900
},
{
"ReferenceNumber": 85,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_3",
"Name": "Acetylsalicylic acid",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635901
},
{
"ReferenceNumber": 86,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_4",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635902
},
{
"ReferenceNumber": 87,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_5",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635903
},
{
"ReferenceNumber": 88,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_6",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635904
},
{
"ReferenceNumber": 89,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_7",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635905
},
{
"ReferenceNumber": 90,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_8",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635906
},
{
"ReferenceNumber": 91,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_9",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635907
},
{
"ReferenceNumber": 92,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_10",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635908
},
{
"ReferenceNumber": 93,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_11",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635909
},
{
"ReferenceNumber": 94,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_12",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635910
},
{
"ReferenceNumber": 95,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_13",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635911
},
{
"ReferenceNumber": 96,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_14",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635912
},
{
"ReferenceNumber": 97,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_15",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635913
},
{
"ReferenceNumber": 98,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_16",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635914
},
{
"ReferenceNumber": 99,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_17",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635915
},
{
"ReferenceNumber": 100,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_18",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635916
},
{
"ReferenceNumber": 101,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_19",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13635917
},
{
"ReferenceNumber": 102,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_20",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13641606
},
{
"ReferenceNumber": 103,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_21",
"Name": "Aspirin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13641657
},
{
"ReferenceNumber": 108,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_26",
"Name": "Entericin",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13698141
},
{
"ReferenceNumber": 109,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_27",
"Name": "Acetylsaliycilic acid",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13698142
},
{
"ReferenceNumber": 110,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_28",
"Name": "Acetylsaliycilic acid",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 13698143
},
{
"ReferenceNumber": 111,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_29",
"Name": "Acetylsaliycilic acid",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 20063999
},
{
"ReferenceNumber": 112,
"SourceName": "MassBank Europe",
"SourceID": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N_30",
"Name": "Acetylsaliycilic acid",
"Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
"URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
"ANID": 20064000
},
{
"ReferenceNumber": 117,
"SourceName": "MassBank of North America (MoNA)",
"SourceID": "WA000530",
"Name": "Acetylsaliycilic acid",
"Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 34 MS data records(34 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27BSYNRYMUTXBXSQ-UHFFFAOYSA-N%27)",
"LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
"LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
"ANID": 24803099
},
{
"ReferenceNumber": 118,
"SourceName": "MassBank of North America (MoNA)",
"SourceID": "WA000529",
"Name": "Acetylsaliycilic acid",
"Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 34 MS data records(34 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27BSYNRYMUTXBXSQ-UHFFFAOYSA-N%27)",
"LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
"LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
"ANID": 24803100
},
{
"ReferenceNumber": 119,
"SourceName": "MassBank of North America (MoNA)",
"SourceID": "WA000528",
"Name": "Acetylsaliycilic acid",
"Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 34 MS data records(34 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
"URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27BSYNRYMUTXBXSQ-UHFFFAOYSA-N%27)",
"LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
"LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
"ANID": 24803101
},
{
"ReferenceNumber": 120,
"SourceName": "Metabolomics Workbench",
"SourceID": "37905",
"Name": "Aspirin",
"Description": "The Metabolomics Workbench serves as a national and international repository for metabolomics data and metadata and provides analysis tools and access to metabolite standards, protocols, tutorials, training, and more.",
"URL": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37905",
"ANID": 20202567
},
{
"ReferenceNumber": 121,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "040018419f80ac408071d046337b9fdb",
"Name": "ASPIRIN",
"Description": "The National Drug Code (NDC) is a unique, three-segment number that serves as FDA's identifier for drugs. The NDC Directory contains information on active and certified finished and unfinished drugs submitted to FDA.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
"ANID": 31070838
},
{
"ReferenceNumber": 139,
"SourceName": "Nature Chemistry",
"SourceID": "nchem.859-comp6",
"Description": "Nature Chemistry is a monthly journal dedicated to publishing high-quality papers that describe the most significant and cutting-edge research in all areas of chemistry. As well as reflecting the traditional core subjects of analytical, inorganic, organic and physical chemistry, the journal also features a broad range of chemical research including, but not limited to, catalysis, computational and theoretical chemistry, environmental chemistry, green chemistry, medicinal chemistry, nuclear chemistry, polymer chemistry, supramolecular chemistry and surface chemistry.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/99343616",
"ANID": 8517930
},
{
"ReferenceNumber": 142,
"SourceName": "NIPH Clinical Trials Search of Japan",
"SourceID": "cid2244",
"Description": "NIPH Clinical Trials Search of Japan allows one to search clinical research (trials) from the registries of three institutions; the University Hospital Medical Information Network Center (UMIN-CTR), the Japan Pharmaceutical Information Center (JAPIC), and the Japan Medical Association Center for Clinical Trials.",
"URL": "https://rctportal.niph.go.jp/en/",
"ANID": 6486658
},
{
"ReferenceNumber": 149,
"SourceName": "NIST Mass Spectrometry Data Center",
"SourceID": "RI for BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"Name": "Aspirin",
"Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
"URL": "http://www.nist.gov/srd/nist1a.cfm",
"LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
"LicenseURL": "https://www.nist.gov/srd/public-law",
"ANID": 301663
},
{
"ReferenceNumber": 152,
"SourceName": "NLM RxNorm Terminology",
"SourceID": "1191",
"Name": "aspirin",
"Description": "RxNorm provides normalized names for clinical drugs and links its names to many of the drug vocabularies commonly used in pharmacy management and drug interaction software.",
"URL": "https://rxnav.nlm.nih.gov/id/rxnorm/1191",
"LicenseNote": "The RxNorm Terminology is created by the National Library of Medicine (NLM) and is in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from NLM. Credit to the U.S. National Library of Medicine as the source is appreciated but not required. The full RxNorm dataset requires a free license.",
"LicenseURL": "https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.html",
"ANID": 15095726
},
{
"ReferenceNumber": 200,
"SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification",
"SourceID": "N02BA01",
"Name": "Acetylsalicylic acid",
"Description": "The WHO Anatomical Therapeutic Chemical (ATC) Classification System is a classification of active ingredients of drugs according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.",
"URL": "https://www.whocc.no/atc_ddd_index/?code=N02BA01",
"LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.",
"LicenseURL": "https://www.whocc.no/copyright_disclaimer/",
"ANID": 24381660
},
{
"ReferenceNumber": 201,
"SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification",
"SourceID": "A01AD05",
"Name": "Acetylsalicylic acid",
"Description": "The WHO Anatomical Therapeutic Chemical (ATC) Classification System is a classification of active ingredients of drugs according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.",
"URL": "https://www.whocc.no/atc_ddd_index/?code=A01AD05",
"LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.",
"LicenseURL": "https://www.whocc.no/copyright_disclaimer/",
"ANID": 24384342
},
{
"ReferenceNumber": 202,
"SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification",
"SourceID": "B01AC06",
"Name": "Acetylsalicylic acid",
"Description": "The WHO Anatomical Therapeutic Chemical (ATC) Classification System is a classification of active ingredients of drugs according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.",
"URL": "https://www.whocc.no/atc_ddd_index/?code=B01AC06",
"LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.",
"LicenseURL": "https://www.whocc.no/copyright_disclaimer/",
"ANID": 24386189
},
{
"ReferenceNumber": 156,
"SourceName": "Pharos",
"SourceID": "Compound::NNQ793F142LD",
"Name": "acetylsalicylic acid",
"Description": "Pharos gives access to a comprehensive, integrated knowledge-base for the Druggable Genome (DG) to illuminate the uncharacterized and/or poorly annotated portion of the DG, focusing on three of the most commonly drug-targeted protein families: G-protein-coupled receptors (GPCRs), Ion channels (ICs) and Kinases. It is the user interface to the Knowledge Management Center (KMC) for the Illuminating the Druggable Genome (IDG) program.",
"URL": "https://pharos.nih.gov/ligands/NNQ793F142LD",
"LicenseNote": "Data accessed from Pharos and TCRD is publicly available from the primary sources listed above. Please respect their individual licenses regarding proper use and redistribution.",
"LicenseURL": "https://pharos.nih.gov/about",
"ANID": 24618872
},
{
"ReferenceNumber": 157,
"SourceName": "Protein Data Bank in Europe (PDBe)",
"SourceID": "AIN",
"Description": "The Protein Data Bank in Europe (PDBe) manages the PDB with its wwPDB partners and provides a high-quality, up-to-date and integrated resource of macromolecular structures to support basic and applied research and education across the sciences.",
"URL": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/AIN",
"ANID": 8193080
},
{
"ReferenceNumber": 159,
"SourceName": "RCSB Protein Data Bank (RCSB PDB)",
"SourceID": "2244",
"Description": "The RCSB Protein Data Bank (PDB) contains crystallographic data defining 3D shapes of proteins, nucleic acids, and complex assemblies that helps students and researchers understand all aspects of biomedicine and agriculture, from protein synthesis to health and disease.",
"URL": "https://www.rcsb.org/",
"LicenseNote": "Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.",
"LicenseURL": "https://www.rcsb.org/pages/policies",
"ANID": 13143974
},
{
"ReferenceNumber": 162,
"SourceName": "SpectraBase",
"SourceID": "sh7fpULnLp",
"Name": "Acetylsalicylic acid",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/sh7fpULnLp",
"ANID": 4686305
},
{
"ReferenceNumber": 170,
"SourceName": "SpectraBase",
"SourceID": "5CDlGcqw64z",
"Name": "Acetylsalicylic acid",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/5CDlGcqw64z",
"ANID": 9917695
},
{
"ReferenceNumber": 167,
"SourceName": "SpectraBase",
"SourceID": "8VOBQEyDZ2o",
"Name": "ASA",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/8VOBQEyDZ2o",
"ANID": 9917651
},
{
"ReferenceNumber": 168,
"SourceName": "SpectraBase",
"SourceID": "9pGZMT21HxZ",
"Name": "Acetyl-salicylic acid",
"Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
"URL": "https://spectrabase.com/spectrum/9pGZMT21HxZ",
"ANID": 9917652
},
{
"ReferenceNumber": 172,
"SourceName": "Springer Nature",
"SourceID": "13051036-18400742",
"Description": "Springer Nature is the world's largest academic book publisher, publisher of the world's most influential journals, and a pioneer in the field of open research. SpringerLink provides electronic access to its book and journal content.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=15745&sourceid=13051036-18400742",
"ANID": 3845420
},
{
"ReferenceNumber": 173,
"SourceName": "SpringerMaterials",
"SourceID": "smsid_cetefnaoegpqywds",
"Name": "benzoic acid, 2-acetoxy-",
"Description": "Springer Nature is the leading scientific publisher in the fields of science and related areas. The company not only publishes best-in-class scientific journals and books but is also a well-known organization compiling databases for scientific applications. Amongst these databases, SpringerMaterials helps scientist to find and use property data of materials and chemical substances.",
"URL": "https://materials.springer.com/substanceprofile/docs/smsid_cetefnaoegpqywds",
"ANID": 8730980
},
{
"ReferenceNumber": 197,
"SourceName": "Thieme Chemistry",
"SourceID": "13051036-18400742",
"Description": "Thieme Chemistry is part of the privately owned Thieme Group and publishes highly evaluated information about synthetic and general chemistry for professional chemists and advanced students since 1909. \u000A \u000AOur portfolio includes the journals SYNFACTS, SYNLETT, SYNTHESIS and SynOpen, the synthetic methodology reference work Science of Synthesis, the German chemical encyclopedia ROEMPP, and monographs in electronic and printed format. The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license (https://creativecommons.org/licenses/by-nc-nd/4.0/), unless otherwise stated.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=22163&sourceid=13051036-18400742",
"LicenseNote": "The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.",
"LicenseURL": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
"ANID": 5283502
},
{
"ReferenceNumber": 203,
"SourceName": "WHO Model Lists of Essential Medicines",
"SourceID": "13",
"Name": "Acetylsalicylic acid",
"Description": "The WHO Model Lists of Essential Medicines contains the medications considered to be most effective and safe to meet the most important needs in a health system. It has been updated every two years since 1977.",
"URL": "https://list.essentialmeds.org/medicines/13",
"LicenseNote": "Permission from WHO is not required for the use of WHO materials issued under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Intergovernmental Organization (CC BY-NC-SA 3.0 IGO) license.",
"LicenseURL": "https://www.who.int/about/policies/publishing/copyright",
"ANID": 13127693
},
{
"ReferenceNumber": 204,
"SourceName": "Wikidata",
"SourceID": "Q18216",
"Name": "Aspirin",
"Description": "Link to the compound information in Wikidata.",
"URL": "https://www.wikidata.org/wiki/Q18216",
"LicenseNote": "CCZero",
"LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
"ANID": 16288417
},
{
"ReferenceNumber": 205,
"SourceName": "Wikipedia",
"SourceID": "fm_683",
"Name": "indole-2-carboxylic acid",
"Description": "Chemical information link to Wikipedia.",
"URL": "https://en.wikipedia.org/wiki/Dictionary_of_chemical_formulas",
"ANID": 24318740
},
{
"ReferenceNumber": 206,
"SourceName": "Wikipedia",
"SourceID": "fm_687",
"Name": "aspirin",
"Description": "Chemical information link to Wikipedia.",
"URL": "https://en.wikipedia.org/wiki/Aspirin",
"ANID": 24318744
},
{
"ReferenceNumber": 207,
"SourceName": "Wikipedia",
"SourceID": "c_2",
"Name": "Aspirin",
"Description": "Link to the chemical information in Wikipedia.",
"URL": "https://en.wikipedia.org/wiki/Aspirin",
"ANID": 24321538
},
{
"ReferenceNumber": 208,
"SourceName": "Wiley",
"SourceID": "119669",
"Description": "Literature references related to scientific contents from Wiley. Read more: https://onlinelibrary.wiley.com/",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=wiley&sourceid=119669",
"ANID": 8300149
},
{
"ReferenceNumber": 209,
"SourceName": "Medical Subject Headings (MeSH)",
"SourceID": "68001241",
"Name": "Aspirin",
"Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
"URL": "https://www.ncbi.nlm.nih.gov/mesh/68001241",
"LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html"
},
{
"ReferenceNumber": 210,
"SourceName": "PubChem",
"SourceID": "PubChem",
"Description": "Data deposited in or computed by PubChem",
"URL": "https://pubchem.ncbi.nlm.nih.gov"
},
{
"ReferenceNumber": 211,
"SourceName": "Medical Subject Headings (MeSH)",
"SourceID": "DescTree",
"Name": "MeSH Tree",
"Description": "MeSH (Medical Subject Headings) is the NLM controlled vocabulary thesaurus used for indexing articles for PubMed.",
"URL": "http://www.nlm.nih.gov/mesh/meshhome.html",
"LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html"
},
{
"ReferenceNumber": 212,
"SourceName": "ChEBI",
"SourceID": "OBO",
"Name": "ChEBI Ontology",
"Description": "The ChEBI Ontology is a structured classification of the entities contained within ChEBI.",
"URL": "http://www.ebi.ac.uk/chebi/userManualForward.do#ChEBI%20Ontology"
},
{
"ReferenceNumber": 213,
"SourceName": "KEGG",
"SourceID": "br08301",
"Name": "Therapeutic category of drugs in Japan",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08301.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 214,
"SourceName": "KEGG",
"SourceID": "br08303",
"Name": "Anatomical Therapeutic Chemical (ATC) classification",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08303.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 215,
"SourceName": "KEGG",
"SourceID": "br08310",
"Name": "Target-based classification of drugs",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08310.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 216,
"SourceName": "KEGG",
"SourceID": "br08311",
"Name": "Drugs listed in the Japanese Pharmacopoeia",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08311.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 217,
"SourceName": "KEGG",
"SourceID": "br08312",
"Name": "Risk category of Japanese OTC drugs",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08312.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 218,
"SourceName": "KEGG",
"SourceID": "br08313",
"Name": "Classification of Japanese OTC drugs",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08313.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 220,
"SourceName": "FDA Pharm Classes",
"SourceID": "FDA_pharm_tree",
"Name": "FDA Pharmacological Classification",
"Description": "FDA published a final rule that amended the requirements for the content and format of approved labeling (prescribing information) for human prescription drug and biological products in January 2006.",
"URL": "https://www.fda.gov/ForIndustry/DataStandards/StructuredProductLabeling/ucm162549.htm",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking"
},
{
"ReferenceNumber": 221,
"SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification",
"SourceID": "ATCTree",
"Name": "ATC Code",
"Description": "In the World Health Organization (WHO) Anatomical Therapeutic Chemical (ATC) classification system, the active substances are divided into different groups according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.",
"URL": "https://www.whocc.no/atc_ddd_index/",
"LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.",
"LicenseURL": "https://www.whocc.no/copyright_disclaimer/"
},
{
"ReferenceNumber": 222,
"SourceName": "GHS Classification (UNECE)",
"SourceID": "UN_GHS_tree",
"Name": "GHS Classification Tree",
"Description": "The United Nations' Globally Harmonized System of Classification and Labeling of Chemicals (GHS) provides a harmonized basis for globally uniform physical, environmental, and health and safety information on hazardous chemical substances and mixtures. It sets up criteria for the classification of chemicals for physical-chemical, health, and environmental hazards of chemical substances and mixtures and sets up standardized hazard information to facilitate global trade of chemicals. Please note that obsolete codes are added in this classification for completeness purposes, as they are still in use. Any obsolete codes are annotated as such.",
"URL": "http://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html"
},
{
"ReferenceNumber": 223,
"SourceName": "ChemIDplus",
"SourceID": "ChemIDplus_tree",
"Name": "ChemIDplus Chemical Information Classification",
"Description": "ChemIDplus is a TOXNET (TOXicology Data NETwork) databases that contain chemicals and drugs related information. It is a product of the National Library of Medicine (NLM).",
"URL": "https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html",
"IsToxnet": true
},
{
"ReferenceNumber": 224,
"SourceName": "CAMEO Chemicals",
"SourceID": "CameoReactivityTree",
"Name": "CAMEO Chemical Reactivity Classification",
"Description": "CAMEO Chemical Reactivity Classification was created based on the reactive groups.",
"URL": "https://cameochemicals.noaa.gov/browse/react",
"LicenseNote": "CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data.",
"LicenseURL": "https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=false"
},
{
"ReferenceNumber": 225,
"SourceName": "ChEMBL",
"SourceID": "Target Tree",
"Name": "ChEMBL Protein Target Tree",
"Description": "The ChEMBL Protein Target Tree is a structured classification of the protein target entities contained with the ChEMBL resource release version 34\u000AChEMBL.",
"URL": "https://www.ebi.ac.uk/chembl/g/#browse/targets",
"LicenseNote": "Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).",
"LicenseURL": "http://www.ebi.ac.uk/Information/termsofuse.html"
},
{
"ReferenceNumber": 226,
"SourceName": "IUPHAR/BPS Guide to PHARMACOLOGY",
"SourceID": "Target Classification",
"Name": "Guide to Pharmacology Target Classification",
"Description": "An expert-driven guide to pharmacological targets and the substances that act on them",
"URL": "https://www.guidetopharmacology.org/targets.jsp",
"LicenseNote": "The Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)",
"LicenseURL": "https://www.guidetopharmacology.org/about.jsp#license"
},
{
"ReferenceNumber": 227,
"SourceName": "KEGG",
"SourceID": "br08330",
"Name": "Drug Groups",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08330.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 228,
"SourceName": "EPA Chemical and Products Database (CPDat)",
"SourceID": "cpdat_tree",
"Name": "EPA CPDat Classification",
"Description": "CPDat (Chemical and Products Database) is a database containing information mapping more than 49,000 chemicals to a set of terms categorizing their usage or function in 16,000 consumer products. Ref: The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125",
"URL": "https://www.epa.gov/chemical-research/chemical-and-products-database-cpdat",
"LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
},
{
"ReferenceNumber": 229,
"SourceName": "NORMAN Suspect List Exchange",
"SourceID": "norman_sle_tree",
"Name": "NORMAN Suspect List Exchange Classification",
"Description": "The NORMAN Suspect List Exchange (NORMAN-SLE) is a central access point for NORMAN members (and others) to find suspect lists relevant for their environmental monitoring questions.
Update: 2024-06-18 18:00:01",
"URL": "https://www.norman-network.com/nds/SLE/",
"LicenseNote": "Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0",
"LicenseURL": "https://creativecommons.org/licenses/by/4.0/"
},
{
"ReferenceNumber": 230,
"SourceName": "CCSbase",
"SourceID": "ccsbase_tree",
"Name": "CCSbase Classification",
"Description": "CCSbase is an integrated platform consisting of a comprehensive database of Collision Cross Section (CCS) measurements taken from a variety of sources and a high-quality and high-throughput CCS prediction model trained with this database using machine learning.",
"URL": "https://ccsbase.net/"
},
{
"ReferenceNumber": 231,
"SourceName": "EPA DSSTox",
"SourceID": "dsstoxlist_tree",
"Name": "CompTox Chemicals Dashboard Chemical Lists",
"Description": "This classification lists the chemical categories from the EPA CompTox Chemicals Dashboard.
Update: 2024-06-18 19:37:56",
"URL": "https://comptox.epa.gov/dashboard/chemical-lists/",
"LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
},
{
"ReferenceNumber": 234,
"SourceName": "NCI Thesaurus (NCIt)",
"SourceID": "NCIt",
"Name": "NCI Thesaurus Tree",
"Description": "The NCI Thesaurus (NCIt) provides reference terminology for many NCI and other systems. It covers vocabulary for clinical care, translational and basic research, and public information and administrative activities.",
"URL": "https://ncit.nci.nih.gov",
"LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
"LicenseURL": "https://www.cancer.gov/policies/copyright-reuse"
},
{
"ReferenceNumber": 235,
"SourceName": "LOTUS - the natural products occurrence database",
"SourceID": "biochem",
"Name": "LOTUS Tree",
"Description": "Biological and chemical tree provided by the LOTUS (naturaL products occurrence database)",
"URL": "https://lotus.naturalproducts.net/",
"LicenseNote": "The code for LOTUS is released under the GNU General Public License v3.0.",
"LicenseURL": "https://lotus.nprod.net/"
},
{
"ReferenceNumber": 236,
"SourceName": "National Drug Code (NDC) Directory",
"SourceID": "fdandc_tree",
"Name": "FDA Drug Type and Pharmacologic Classification",
"Description": "The FDA Drug Type and Pharmacologic Classification is created based on the FDA drug types and pharm classes data from the National Drug Code (NDC) Directory.",
"URL": "https://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory",
"LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
"LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking"
},
{
"ReferenceNumber": 237,
"SourceName": "KEGG",
"SourceID": "br08332",
"Name": "Drug Classes",
"Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
"URL": "http://www.genome.jp/kegg-bin/get_htext?br08332.keg",
"LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
"LicenseURL": "https://www.kegg.jp/kegg/legal.html"
},
{
"ReferenceNumber": 239,
"SourceName": "EPA Substance Registry Services",
"SourceID": "epasrs_tree",
"Name": "EPA SRS List Classification",
"Description": "Substance Registry Services (SRS) is the Environmental Protection Agency's (EPA) central system for information about substances that are tracked or regulated by EPA or other sources. It is a resource for basic information about chemicals, biological organisms, and other substances of interest to EPA and its state and tribal partners. SRS makes it possible to identify which EPA data systems, environmental statutes, or other sources have information about a substance and which synonym is used by that system or statute.",
"URL": "https://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do",
"LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
},
{
"ReferenceNumber": 240,
"SourceName": "EPA Chemicals under the TSCA",
"SourceID": "epa_tsca_tree",
"Name": "EPA TSCA and CDR Classification",
"Description": "EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulation under TSCA. The chemical classification tree is created based on the TSCA substance regulatory flag, UVCB, and commercial activity status.
Update: 2024-04-22 17:13:45",
"URL": "https://www.epa.gov/tsca-inventory",
"LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
},
{
"ReferenceNumber": 241,
"SourceName": "Medical Subject Headings (MeSH)",
"SourceID": "68000894",
"Name": "Anti-Inflammatory Agents, Non-Steroidal",
"Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
"URL": "https://www.ncbi.nlm.nih.gov/mesh/68000894",
"LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html"
},
{
"ReferenceNumber": 242,
"SourceName": "Medical Subject Headings (MeSH)",
"SourceID": "68058633",
"Name": "Antipyretics",
"Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
"URL": "https://www.ncbi.nlm.nih.gov/mesh/68058633",
"LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html"
},
{
"ReferenceNumber": 243,
"SourceName": "Medical Subject Headings (MeSH)",
"SourceID": "68016861",
"Name": "Cyclooxygenase Inhibitors",
"Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
"URL": "https://www.ncbi.nlm.nih.gov/mesh/68016861",
"LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html"
},
{
"ReferenceNumber": 244,
"SourceName": "Medical Subject Headings (MeSH)",
"SourceID": "68010975",
"Name": "Platelet Aggregation Inhibitors",
"Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
"URL": "https://www.ncbi.nlm.nih.gov/mesh/68010975",
"LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html"
},
{
"ReferenceNumber": 245,
"SourceName": "Medical Subject Headings (MeSH)",
"SourceID": "68005343",
"Name": "Fibrinolytic Agents",
"Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
"URL": "https://www.ncbi.nlm.nih.gov/mesh/68005343",
"LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
"LicenseURL": "https://www.nlm.nih.gov/copyright.html"
},
{
"ReferenceNumber": 246,
"SourceName": "PATENTSCOPE (WIPO)",
"Name": "SID 403030282",
"Description": "The PATENTSCOPE database from WIPO includes patent and chemical structure search (with a free account) that gives access to millions of patent documents. The World Intellectual Property Organisation (WIPO) is a specialized United Nations (UN) agency headquartered in Geneva (Switzerland). Our mission is to lead the development of a balanced and effective international Intellectual Property (IP) system that enables innovation and creativity for the benefit of all. We help governments, businesses and society realize the benefits of Intellectual Property and are notably a world reference source for IP information.",
"URL": "https://pubchem.ncbi.nlm.nih.gov/substance/403030282"
},
{
"ReferenceNumber": 247,
"SourceName": "NCBI",
"SourceID": "LinkOut",
"Description": "LinkOut is a service that allows one to link directly from NCBI databases to a wide range of information and services beyond NCBI systems.",
"URL": "https://www.ncbi.nlm.nih.gov/projects/linkout"
}
]
}
}