Dataset

Nitrazepam; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111018657 contains the MS2 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 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
InChI Key KJONHKAYOJNZEC-UHFFFAOYSA-N
Molecular Formula C15H11N3O3
Exact Mass 281.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111018657
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MetadataPublished 2023-11-10
Related Molecule
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    • 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.