Dataset

Amisulpride; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU214205 contains the MS2 mass spectrum of Amisulpride with the InChIkey NTJOBXMMWNYJFB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
SMILES CCN1CCCC1CNC(=O)C1=C(OC)C=C(N)C(=C1)S(=O)(=O)CC
InChI Key NTJOBXMMWNYJFB-UHFFFAOYSA-N
Molecular Formula C17H27N3O4S
Exact Mass 369.172 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU214205
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MetadataPublished 2015-12-04
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06288 drugbank
    CHEBI:64045 chebi
    CHEMBL243712 chembl
    29506665 surechembl
    34126 surechembl
    2159 pubchem
    8110R61I4U fdasrs
    963 gtopdb
    PD001316 probes_and_drugs
    HMDB0015633 hmdb
    Molport-003-983-463 molport
    Molport-039-344-767 molport
    179 drugcentral
    81790 bindingdb
    The data in this table is sourced from UniChem at EBI.