Dataset

Diazepam; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00262609 contains the MS2 mass spectrum of Diazepam with the InChIkey AAOVKJBEBIDNHE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
SMILES CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
InChI Key AAOVKJBEBIDNHE-UHFFFAOYSA-N
Molecular Formula C16H13ClN2O
Exact Mass 284.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00262609
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MetadataPublished 2024-06-14
Related Molecule
  • 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00829 drugbank
    DZP rcsb_pdb
    CHEMBL12 chembl
    21442 surechembl
    29362687 surechembl
    3016 pubchem
    Q3JTX2Q7TU fdasrs
    DZP - Ideal conformer pdbe
    3364 gtopdb
    PD003026 probes_and_drugs
    DIZPAM CCDC
    145051 brenda
    145966 brenda
    2437 brenda
    CHEBI:49575 chebi
    HMDB0014967 hmdb
    852 drugcentral
    50000766 bindingdb
    The data in this table is sourced from UniChem at EBI.