Dataset

Flunitrazepam; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001291 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-WA001291
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25878 BindingDB
    FLUNITRAZEPAM rxnorm
    RO-5-4200 clinicaltrials
    RO-54200 clinicaltrials
    ROHYPNOL clinicaltrials
    FLUNITRAZEPAM clinicaltrials
    N05CD03 clinicaltrials
    RO 5-4200 clinicaltrials
    20233880 NMRShiftDB
    DTXSID7023065 EPA CompTox Dashboard
    1202 DrugCentral
    31622 ChEBI
    4360 Guide to Pharmacology
    4193 Guide to Pharmacology
    CAGWUC CCDC
    CHEMBL13280 ChEMBL
    DB01544 DrugBank
    6165 Brenda
    HMDB0015510 Human Metabolome Database
    ZINC000003812994 ZINC
    110933 Brenda
    538506 eMolecules
    3380 PubChem
    PD009482 ProbesDrugs
    620X0222FQ FDA SRS
    15494069 PubChem: Thomson Pharma
    SCHEMBL44169 SureChEMBL
    PA164781320 PharmGKB
    1622-62-4 ACToR
    The data in this table is sourced from UniChem at EBI.