Dataset

Moclobemide; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002051 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-WA002051
Version
Author
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
    MOCLOBEMIDE rxnorm
    MOCLOBEMIDE clinicaltrials
    AURORIX clinicaltrials
    HY-B0534 MedChemExpress
    15613 BindingDB
    1825 DrugCentral
    7428 Guide to Pharmacology
    J19.047K Nikkaji
    83531 ChEBI
    WEWPET CCDC
    DTXSID9040554 EPA CompTox Dashboard
    902145 eMolecules
    CHEMBL86304 ChEMBL
    12013032 PubChem: Drugs of the Future
    SAM001246614 NIH Clinical Collection
    DB01171 DrugBank
    14750467 PubChem: Thomson Pharma
    4235 PubChem
    PD003171 ProbesDrugs
    PJ0Y7AZB63 FDA SRS
    moclobemide Selleck
    SCHEMBL49708 SureChEMBL
    71320-77-9 ACToR
    PA452615 PharmGKB
    LSM-5247 LINCS
    MCULE-5300106938 Mcule
    5037 Brenda
    HMDB0015302 Human Metabolome Database
    CB0281564 ChemicalBook
    ZINC000019606670 ZINC
    The data in this table is sourced from UniChem at EBI.