Dataset

Trimetazidine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002147 contains the MS mass spectrum of Trimetazidine with the InChIkey UHWVSEOVJBQKBE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
SMILES COc(c2)c(OC)c(OC)c(c2)CN(C1)CCNC1
InChI Key UHWVSEOVJBQKBE-UHFFFAOYSA-N
Molecular Formula C14H22N2O3
Exact Mass 266.163 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-WA002147
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09069 drugbank
    CHEBI:94789 chebi
    CHEMBL203266 chembl
    11846840 surechembl
    230374 surechembl
    29375563 surechembl
    21109 pubchem
    N9A0A0R9S8 fdasrs
    PD009144 probes_and_drugs
    143789 brenda
    HMDB0259235 hmdb
    2750 drugcentral
    80613 bindingdb
    The data in this table is sourced from UniChem at EBI.