Dataset

Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+

This MassBank record with Accession MSBNK-MSSJ-MSJ01587 contains the MS2 mass spectrum of Clonazepam with the InChIkey DGBIGWXXNGSACT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
SMILES C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
InChI Key DGBIGWXXNGSACT-UHFFFAOYSA-N
Molecular Formula C15H10ClN3O3
Exact Mass 315.041 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-MSSJ-MSJ01587
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Maintainer
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MetadataPublished 2023-03-24
Related Molecule
  • 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01068 drugbank
    CHEBI:3756 chebi
    CHEMBL452 chembl
    29361251 surechembl
    29369721 surechembl
    29743048 surechembl
    38899 surechembl
    2802 pubchem
    5PE9FDE8GB fdasrs
    6963 gtopdb
    PD009568 probes_and_drugs
    CPHNZP CCDC
    260007 brenda
    HMDB0015201 hmdb
    703 drugcentral
    50019213 bindingdb
    The data in this table is sourced from UniChem at EBI.