Dataset

Flunitrazepam

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

Chemical Info

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

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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
Language
MetadataCreated	2024-01-11T22:33:54.784305
MetadataModified	2025-02-09T20:26:36.177872
MetadataPublished	2016-01-19
Related Molecule

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.