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