Dataset

Veralipride; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA002448 contains the MS mass spectrum of Veralipride with the InChIkey RYJXBGGBZJGVQF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)
SMILES C=CCN(C2)C(CC2)CNC(=O)c(c1)c(OC)c(OC)cc1S(N)(=O)=O
InChI Key RYJXBGGBZJGVQF-UHFFFAOYSA-N
Molecular Formula C17H25N3O5S
Exact Mass 383.151 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002448
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2,3-dimethoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL237519 SureChEMBL
    14878094 PubChem: Thomson Pharma
    66644-81-3 ACToR
    CHEMBL2105581 ChEMBL
    PD014503 ProbesDrugs
    12013325 PubChem: Drugs of the Future
    CB6306612 ChemicalBook
    VERALIPRIDE rxnorm
    HMDB0259780 Human Metabolome Database
    J19.193K Nikkaji
    S7064109UD FDA SRS
    HY-101797 MedChemExpress
    2814 DrugCentral
    135600 ChEBI
    DTXSID6046268 EPA CompTox Dashboard
    DB13523 DrugBank
    47979 PubChem
    31231963 eMolecules
    The data in this table is sourced from UniChem at EBI.