Dataset

Nitrazepam; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA000749 contains the MS mass spectrum of Nitrazepam with the InChIkey KJONHKAYOJNZEC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
SMILES O=N(=O)c(c3)cc(c2c3)C(=NCC(=O)N2)c(c1)cccc1
InChI Key KJONHKAYOJNZEC-UHFFFAOYSA-N
Molecular Formula C15H11N3O3
Exact Mass 281.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000749
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 7-nitro-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
    DB01595 drugbank
    CHEBI:7581 chebi
    CHEMBL13209 chembl
    29408437 surechembl
    35202 surechembl
    4506 pubchem
    9CLV70W7HS fdasrs
    PD003070 probes_and_drugs
    NHPBZO CCDC
    34568 brenda
    HMDB0015534 hmdb
    DTXSID5023372 comptox
    NCT00004758 clinicaltrials
    NCT00374777 clinicaltrials
    NCT00552526 clinicaltrials
    NCT00707915 clinicaltrials
    NCT02205931 clinicaltrials
    NCT02374567 clinicaltrials
    1945 drugcentral
    50020856 bindingdb
    The data in this table is sourced from UniChem at EBI.