Dataset

Trimetazidine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA002145 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-WA002145
Version
Author
Maintainer
Language
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
    DTXSID2048531 comptox
    NCT00282360 clinicaltrials
    NCT01696370 clinicaltrials
    NCT02102672 clinicaltrials
    NCT02107144 clinicaltrials
    NCT03273387 clinicaltrials
    NCT03333499 clinicaltrials
    NCT03603249 clinicaltrials
    NCT03715582 clinicaltrials
    NCT03737448 clinicaltrials
    NCT03809273 clinicaltrials
    NCT03887013 clinicaltrials
    NCT04760821 clinicaltrials
    NCT04939857 clinicaltrials
    NCT05147194 clinicaltrials
    NCT05540184 clinicaltrials
    NCT05633563 clinicaltrials
    NCT06140953 clinicaltrials
    NCT06459193 clinicaltrials
    2750 drugcentral
    80613 bindingdb
    The data in this table is sourced from UniChem at EBI.