Dataset

7-Aminonitrazepam; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002838 contains the MS mass spectrum of 7-Aminonitrazepam with the InChIkey OYOUQHVDCKOOAL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
SMILES O=C(C2)Nc(c3)c(cc(N)c3)C(=N2)c(c1)cccc1
InChI Key OYOUQHVDCKOOAL-UHFFFAOYSA-N
Molecular Formula C15H13N3O
Exact Mass 251.106 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-WA002838
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MetadataPublished 2016-01-19
Related Molecule
  • 7-amino-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
    CHEMBL147144 ChEMBL
    J274.741C Nikkaji
    DTXSID20197749 EPA CompTox Dashboard
    1A49O337AZ FDA SRS
    50422186 BindingDB
    166534 ChEBI
    4928-02-3 ACToR
    15490138 PubChem: Thomson Pharma
    6208360 eMolecules
    HMDB0041819 Human Metabolome Database
    ZINC000002570182 ZINC
    SCHEMBL15435607 SureChEMBL
    78641 PubChem
    The data in this table is sourced from UniChem at EBI.