Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU168505 contains the MS2 mass spectrum of Sulpiride with the InChIkey BGRJTUBHPOOWDU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
SMILES CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O
InChI Key BGRJTUBHPOOWDU-UHFFFAOYSA-N
Molecular Formula C15H23N3O4S
Exact Mass 341.141 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-AU168505
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MetadataPublished 2015-12-07
Related Molecule
  • N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00391 drugbank
    CHEBI:32168 chebi
    CHEMBL26 chembl
    29359128 surechembl
    8421 surechembl
    5355 pubchem
    7MNE9M8287 fdasrs
    5501 gtopdb
    958 gtopdb
    960 gtopdb
    PD001493 probes_and_drugs
    PYMSBZ CCDC
    3567 brenda
    75628 brenda
    HMDB0014535 hmdb
    Molport-002-070-475 molport
    2537 drugcentral
    11638 bindingdb
    The data in this table is sourced from UniChem at EBI.