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
    J2.044C Nikkaji
    DIZAC clinicaltrials
    DIZPAM CCDC
    CB02497547 ChemicalBook
    DIASTAT rxnorm
    VALIUM rxnorm
    VALTOCO rxnorm
    DIAZEPAM rxnorm
    DIAZEPAM DailyMed
    50000766 BindingDB
    DIASTAT clinicaltrials
    DIAZEPAM clinicaltrials
    3364 Guide to Pharmacology
    ZINC000000006427 ZINC
    852 DrugCentral
    DTXSID4020406 EPA CompTox Dashboard
    NRL-1 clinicaltrials
    VALIUM clinicaltrials
    VALTOCO clinicaltrials
    VALRELEASE clinicaltrials
    C06948 KEGG Ligand
    CHEMBL12 ChEMBL
    DB00829 DrugBank
    DZP PDBe
    SAM001246536 NIH Clinical Collection
    49575 ChEBI
    10016206 NMRShiftDB
    MCULE-8990989144 Mcule
    SCHEMBL21442 SureChEMBL
    HMDB0014967 Human Metabolome Database
    diazepam DailyMed
    145051 Brenda
    2437 Brenda
    145966 Brenda
    11100-37-1 ACToR
    439-14-5 ACToR
    C06948 Recon
    LSM-2359 LINCS
    PA449283 PharmGKB
    Q3JTX2Q7TU FDA SRS
    PD003026 ProbesDrugs
    14799843 PubChem: Thomson Pharma
    diazepam Atlas
    3016 PubChem
    536763 eMolecules
    The data in this table is sourced from UniChem at EBI.