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
    21109 PubChem
    14799141 PubChem: Thomson Pharma
    PD009144 ProbesDrugs
    DILATAN clinicaltrials
    5011-34-7 ACToR
    TRIMETAZIDINE HYDROCHLORIDE clinicaltrials
    N9A0A0R9S8 FDA SRS
    LSM-5938 LINCS
    SCHEMBL230374 SureChEMBL
    TRIMETAZIDINE DIHYDROCHLORIDE clinicaltrials
    846657 eMolecules
    ZINC000019358638 ZINC
    CB4126777 ChemicalBook
    143789 Brenda
    MCULE-9820869946 Mcule
    TRIMETAZIDINE rxnorm
    TRIMETAZIDINE clinicaltrials
    HY-B0968A MedChemExpress
    DB09069 DrugBank
    80613 BindingDB
    DTXSID2048531 EPA CompTox Dashboard
    2750 DrugCentral
    J8.797A Nikkaji
    HMDB0259235 Human Metabolome Database
    94789 ChEBI
    CHEMBL203266 ChEMBL
    The data in this table is sourced from UniChem at EBI.