Dataset

Fluoxetine

This MassBank record with Accession MSBNK-Athens_Univ-AU150904 contains the MS2 mass spectrum of Fluoxetine with the InChIkey RTHCYVBBDHJXIQ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
SMILES	CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F
InChI Key	RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Molecular Formula	C17H18F3NO
Exact Mass	309.134 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU150904
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:09:03.257654
MetadataModified	2025-02-08T19:12:21.647804
MetadataPublished	2015-12-07
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14874184	PubChem: Thomson Pharma
LSM-1449	LINCS
PD010007	ProbesDrugs
70114036	NMRShiftDB
54910-89-3	ACToR
52341-67-0	ACToR
3386	PubChem
PA449673	PharmGKB
901283	eMolecules
SCHEMBL8353	SureChEMBL
fluoxetine	DailyMed
CB3361058	ChemicalBook
4645	Brenda
145965	Brenda
HMDB0014615	Human Metabolome Database
DB00472	DrugBank
CHEMBL41	ChEMBL
203	Guide to Pharmacology
PROZAC	rxnorm
FONTEX	clinicaltrials
FLUOXETINE	clinicaltrials
FLUOXETINE HYDROCHLORIDE	clinicaltrials
SARAFEM	clinicaltrials
FLUCTIN	clinicaltrials
LOVAN	clinicaltrials
PROZAC	clinicaltrials
RECONCILE	clinicaltrials
LY110140	clinicaltrials
LY-110140	clinicaltrials
01K63SUP8D	FDA SRS
86990	ChEBI
DTXSID7023067	EPA CompTox Dashboard
1209	DrugCentral
J292.434J	Nikkaji
30130	BindingDB
FLUOXETINE	DailyMed
FLUOXETINE	rxnorm
FLUOXETINE HYDROCHLORIDE	rxnorm
SARAFEM	rxnorm
SYMBYAX	rxnorm
145052	Brenda
The data in this table is sourced from UniChem at EBI.