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
Version
Author
Maintainer
Language
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
    50020856 BindingDB
    NHPBZO CCDC
    DTXSID5023372 EPA CompTox Dashboard
    NITRAZEPAM clinicaltrials
    NITRAZEPAM rxnorm
    1945 DrugCentral
    DB01595 DrugBank
    CHEMBL13209 ChEMBL
    SAM001246711 NIH Clinical Collection
    C07487 KEGG Ligand
    HMDB0015534 Human Metabolome Database
    MTBLC7581 Metabolights
    34568 Brenda
    ZINC000004311748 ZINC
    MCULE-3394241963 Mcule
    SCHEMBL35202 SureChEMBL
    7581 ChEBI
    20179957 NMRShiftDB
    14824476 PubChem: Thomson Pharma
    4506 PubChem
    PD003070 ProbesDrugs
    PA10242 PharmGKB
    LSM-5681 LINCS
    146-22-5 ACToR
    9CLV70W7HS FDA SRS
    592671 eMolecules
    The data in this table is sourced from UniChem at EBI.