Dataset

Fenfluramine

This MassBank record with Accession MSBNK-Waters-WA001706 contains the MS mass spectrum of Fenfluramine with the InChIkey DBGIVFWFUFKIQN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
SMILES	CCNC(C)Cc(c1)cc(cc1)C(F)(F)F
InChI Key	DBGIVFWFUFKIQN-UHFFFAOYSA-N
Molecular Formula	C12H16F3N
Exact Mass	231.123 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-WA001706
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:39:59.128375
MetadataModified	2025-02-09T20:21:46.165131
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PA164747936	PharmGKB
3337	PubChem
PD008865	ProbesDrugs
FINTEPLA	clinicaltrials
15172399	PubChem: Thomson Pharma
5220-89-3	ACToR
458-24-2	ACToR
PA449592	PharmGKB
SCHEMBL16215	SureChEMBL
CHEMBL87493	ChEMBL
C06996	KEGG Ligand
5000	ChEBI
DB00574	DrugBank
CB0314194	ChemicalBook
FENFLURAMINE	DailyMed
84738	BindingDB
FENFLURAMINE HYDROCHLORIDE	rxnorm
S-768	clinicaltrials
FENFLURAMINE	clinicaltrials
FENFLURAMINE HYDROCHLORIDE	clinicaltrials
ZX-008	clinicaltrials
ZX008	clinicaltrials
2DS058H2CF	FDA SRS
DTXSID4023044	EPA CompTox Dashboard
1150	DrugCentral
4613	Guide to Pharmacology
J5.760F	Nikkaji
HMDB0252200	Human Metabolome Database
FENFLURAMINE	rxnorm
The data in this table is sourced from UniChem at EBI.