Dataset

Thioproperazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002164 contains the MS mass spectrum of Thioproperazine (oxide) with the InChIkey VZYCZNZBPPHOFY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
SMILES	CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1
InChI Key	VZYCZNZBPPHOFY-UHFFFAOYSA-N
Molecular Formula	C22H30N4O2S2
Exact Mass	446.181 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-WA002164
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:38.345766
MetadataModified	2024-01-11T22:50:38.500770
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01622	DrugBank
CHEMBL609109	ChEMBL
59120	ChEBI
35864917	eMolecules
14783972	PubChem: Thomson Pharma
316-81-4	ACToR
SCHEMBL49902	SureChEMBL
LSM-2170	LINCS
YJ050AQ56X	FDA SRS
PD009442	ProbesDrugs
9429	PubChem
HMDB0015559	Human Metabolome Database
PA164754875	PharmGKB
MolPort-006-111-201	MolPort
2635	DrugCentral
DTXSID1023655	EPA CompTox Dashboard
CB3912908	ChemicalBook
ZINC000022446685	ZINC
THIOPROPERAZINE	rxnorm
81793	BindingDB
J5.665K	Nikkaji
The data in this table is sourced from UniChem at EBI.