Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002844 contains the MS mass spectrum of 7-Aminoflunitrazepam with the InChIkey LTCDLGUFORGHGY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
SMILES Nc(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(F)ccc1
InChI Key LTCDLGUFORGHGY-UHFFFAOYSA-N
Molecular Formula C16H14FN3O
Exact Mass 283.112 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-WA002844
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MetadataPublished 2016-01-19
Related Molecule
  • 7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000002569742 ZINC
    SCHEMBL11072824 SureChEMBL
    92294 PubChem
    15492074 PubChem: Thomson Pharma
    34084-50-9 ACToR
    PD053655 ProbesDrugs
    29935472 eMolecules
    CHEMBL151121 ChEMBL
    DTXSID40187682 EPA CompTox Dashboard
    J867.437J Nikkaji
    174707 ChEBI
    50408031 BindingDB
    7T03QW0G7C FDA SRS
    The data in this table is sourced from UniChem at EBI.