Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002054 contains the MS mass spectrum of Moclobemide with the InChIkey YHXISWVBGDMDLQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
SMILES Clc(c2)ccc(c2)C(=O)NCCN(C1)CCOC1
InChI Key YHXISWVBGDMDLQ-UHFFFAOYSA-N
Molecular Formula C13H17ClN2O2
Exact Mass 268.098 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-WA002054
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-chloro-N-(2-morpholin-4-ylethyl)benzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01171 drugbank
    CHEBI:83531 chebi
    CHEMBL86304 chembl
    49708 surechembl
    4235 pubchem
    PJ0Y7AZB63 fdasrs
    7428 gtopdb
    PD003171 probes_and_drugs
    WEWPET CCDC
    5037 brenda
    HMDB0015302 hmdb
    DTXSID9040554 comptox
    NCT00534573 clinicaltrials
    NCT01926626 clinicaltrials
    NCT02374567 clinicaltrials
    NCT03010761 clinicaltrials
    Molport-001-503-124 molport
    1825 drugcentral
    15613 bindingdb
    The data in this table is sourced from UniChem at EBI.