Dataset

Metoclopramide; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001069 contains the MS mass spectrum of Metoclopramide with the InChIkey TTWJBBZEZQICBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
SMILES CCN(CC)CCNC(=O)c(c1)c(OC)cc(N)c(Cl)1
InChI Key TTWJBBZEZQICBI-UHFFFAOYSA-N
Molecular Formula C14H22ClN3O2
Exact Mass 299.140 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-WA001069
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01233 drugbank
    CHEBI:107736 chebi
    CHEMBL86 chembl
    18629 surechembl
    27855472 surechembl
    4168 pubchem
    L4YEB44I46 fdasrs
    241 gtopdb
    PD009947 probes_and_drugs
    METPRA CCDC
    31546 brenda
    41127 brenda
    HMDB0015363 hmdb
    DTXSID6045169 comptox
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    NCT01984931 clinicaltrials
    NCT02025725 clinicaltrials
    NCT02025751 clinicaltrials
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    NCT02135510 clinicaltrials
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    NCT02441673 clinicaltrials
    NCT02441894 clinicaltrials
    NCT02459275 clinicaltrials
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    NCT02784392 clinicaltrials
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    NCT06297954 clinicaltrials
    NCT06379217 clinicaltrials
    NCT06390787 clinicaltrials
    Molport-000-883-854 molport
    1782 drugcentral
    48320 bindingdb
    50000491 bindingdb
    The data in this table is sourced from UniChem at EBI.