Dataset

Nitrazepam; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000750 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-WA000750
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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
    1945 drugcentral
    50020856 bindingdb
    The data in this table is sourced from UniChem at EBI.