Dataset

Oxazepam; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU268002 contains the MS2 mass spectrum of Oxazepam with the InChIkey ADIMAYPTOBDMTL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
SMILES OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2
InChI Key ADIMAYPTOBDMTL-UHFFFAOYSA-N
Molecular Formula C15H11ClN2O2
Exact Mass 286.051 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU268002
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MetadataPublished 2019-05-30
Related Molecule
  • 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    35295-88-6 ACToR
    PD009694 ProbesDrugs
    14848993 PubChem: Thomson Pharma
    PA450731 PharmGKB
    SCHEMBL27435 SureChEMBL
    4616 PubChem
    604-75-1 ACToR
    592985 eMolecules
    HMDB0014980 Human Metabolome Database
    oxazepam DailyMed
    11744 Brenda
    20182033 NMRShiftDB
    J3.308A Nikkaji
    SERAX clinicaltrials
    85031 BindingDB
    6GOW6DWN2A FDA SRS
    DTXSID1021087 EPA CompTox Dashboard
    OXAZEPAM DailyMed
    7253 Guide to Pharmacology
    OXAZEPAM rxnorm
    2015 DrugCentral
    OXAZEPAM clinicaltrials
    CHEMBL568 ChEMBL
    7823 ChEBI
    C07359 KEGG Ligand
    DB00842 DrugBank
    The data in this table is sourced from UniChem at EBI.