Dataset

Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+

This MassBank record with Accession MSBNK-MSSJ-MSJ01673 contains the MS2 mass spectrum of Flunitrazepam with the InChIkey PPTYJKAXVCCBDU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
SMILES CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
InChI Key PPTYJKAXVCCBDU-UHFFFAOYSA-N
Molecular Formula C16H12FN3O3
Exact Mass 313.086 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-MSJ01673
Version
Author
Maintainer
Language
MetadataPublished 2023-03-27
Related Molecule
  • 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01544 drugbank
    CHEBI:31622 chebi
    CHEMBL13280 chembl
    29372584 surechembl
    29902314 surechembl
    44169 surechembl
    3380 pubchem
    620X0222FQ fdasrs
    4193 gtopdb
    4360 gtopdb
    PD009482 probes_and_drugs
    CAGWUC CCDC
    110933 brenda
    6165 brenda
    HMDB0015510 hmdb
    DTXSID7023065 comptox
    NCT00707915 clinicaltrials
    1202 drugcentral
    25878 bindingdb
    The data in this table is sourced from UniChem at EBI.