Dataset

Flunitrazepam; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA001286 contains the MS mass spectrum of Flunitrazepam with the InChIkey PPTYJKAXVCCBDU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
SMILES O=N(=O)c(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(F)ccc1
InChI Key PPTYJKAXVCCBDU-UHFFFAOYSA-N
Molecular Formula C16H12FN3O3
Exact Mass 313.086 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-WA001286
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01544 drugbank
    CHEBI:31622 chebi
    CHEMBL13280 chembl
    29372584 surechembl
    29902314 surechembl
    44169 surechembl
    3380 pubchem
    620X0222FQ fdasrs
    4193 gtopdb
    4360 gtopdb
    PD009482 probes_and_drugs
    CAGWUC CCDC
    110933 brenda
    6165 brenda
    HMDB0015510 hmdb
    DTXSID7023065 comptox
    NCT00707915 clinicaltrials
    1202 drugcentral
    25878 bindingdb
    The data in this table is sourced from UniChem at EBI.