Dataset

Acamprosate; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA284807 contains the MS2 mass spectrum of Acamprosate with the InChIkey AFCGFAGUEYAMAO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)
SMILES O=S(=O)(O)CCCNC(=O)C
InChI Key AFCGFAGUEYAMAO-UHFFFAOYSA-N
Molecular Formula C5H11NO4S
Exact Mass 181.041 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA284807
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Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • 3-acetamidopropane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00659 drugbank
    CHEBI:51041 chebi
    CHEMBL1201293 chembl
    41983 surechembl
    71158 pubchem
    N4K14YGM3J fdasrs
    7106 gtopdb
    PD009865 probes_and_drugs
    HMDB0014797 hmdb
    Molport-006-138-766 molport
    38 drugcentral
    The data in this table is sourced from UniChem at EBI.