Dataset

Sulpiride; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU168503 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-AU168503
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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
    CHEMBL26 ChEMBL
    DB00391 DrugBank
    SULPIRIDE rxnorm
    DTXSID1042574 EPA CompTox Dashboard
    2537 DrugCentral
    NEOGAMA clinicaltrials
    GUASTIL clinicaltrials
    PYMSBZ CCDC
    DOGMATIL clinicaltrials
    5501 Guide to Pharmacology
    ABILIT clinicaltrials
    MERESA clinicaltrials
    AIGLONYL clinicaltrials
    SULPIRIDE clinicaltrials
    HY-B1019 MedChemExpress
    7MNE9M8287 FDA SRS
    SULPITIL clinicaltrials
    11638 BindingDB
    J3.446K Nikkaji
    DOLMATIL clinicaltrials
    SULPOR clinicaltrials
    20037386 NMRShiftDB
    75628 Brenda
    3567 Brenda
    CB4141314 ChemicalBook
    HMDB0014535 Human Metabolome Database
    SCHEMBL8421 SureChEMBL
    MCULE-7506797476 Mcule
    5355 PubChem
    14802423 PubChem: Thomson Pharma
    PD001493 ProbesDrugs
    32168 ChEBI
    PA164745485 PharmGKB
    LSM-5080 LINCS
    15676-16-1 ACToR
    sulpiride Atlas
    594468 eMolecules
    The data in this table is sourced from UniChem at EBI.