Dataset

Fluphenazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002238 contains the MS mass spectrum of Fluphenazine (oxide) with the InChIkey PLDUPXSUYLZYBN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
SMILES	OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
InChI Key	PLDUPXSUYLZYBN-UHFFFAOYSA-N
Molecular Formula	C22H26F3N3OS
Exact Mass	437.175 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-WA002238
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:47:18.735353
MetadataModified	2024-01-11T22:47:18.899209
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
LSM-3226	LINCS
47646-09-3	ACToR
PD009883	ProbesDrugs
fluphenazine	Atlas
14832617	PubChem: Thomson Pharma
SCHEMBL19221	SureChEMBL
PA449676	PharmGKB
3372	PubChem
S79426A41Z	FDA SRS
69-23-8	ACToR
MCULE-7579992672	Mcule
ZINC000019203912	ZINC
fluphenazine	DailyMed
97943	Brenda
HMDB0014761	Human Metabolome Database
732810	eMolecules
CHEMBL726	ChEMBL
5123	ChEBI
204	Guide to Pharmacology
C07010	KEGG Ligand
DB00623	DrugBank
FLUPHENAZINE	DailyMed
FLUPHENAZINE	rxnorm
FLUPHENAZINE HYDROCHLORIDE	rxnorm
FLUPHENAZINE HYDROCHLORIDE	clinicaltrials
CB7107784	ChemicalBook
78433	BindingDB
PERMITIL	clinicaltrials
FLUPHENAZINE	clinicaltrials
J4.863A	Nikkaji
PROLIXIN	clinicaltrials
1212	DrugCentral
DTXSID2023068	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.