Dataset

Triflupromazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002011 contains the MS mass spectrum of Triflupromazine (oxide) with the InChIkey XSCGXQMFQXDFCW-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
SMILES	CN(C)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
InChI Key	XSCGXQMFQXDFCW-UHFFFAOYSA-N
Molecular Formula	C18H19F3N2S
Exact Mass	352.122 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-WA002011
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:53.775646
MetadataModified	2024-01-11T22:50:53.937604
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00508	DrugBank
CHEMBL570	ChEMBL
9711	ChEBI
1989361	eMolecules
PD009989	ProbesDrugs
146-54-3	ACToR
RO16TQF95Y	FDA SRS
LSM-3421	LINCS
PA451773	PharmGKB
14925496	PubChem: Thomson Pharma
SCHEMBL44085	SureChEMBL
6695	Brenda
142792	Brenda
151912	Brenda
HMDB0014650	Human Metabolome Database
MCULE-9151902507	Mcule
4330	Guide to Pharmacology
J2.957B	Nikkaji
67544	BindingDB
5568	PubChem
TRIFLUPROMAZINE	rxnorm
TRIFLUPROMAZINE HYDROCHLORIDE	rxnorm
ZINC000000538507	ZINC
2742	DrugCentral
DTXSID9023704	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.