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
YJ050AQ56X	FDA SRS
SCHEMBL49902	SureChEMBL
316-81-4	ACToR
LSM-2170	LINCS
PD009442	ProbesDrugs
9429	PubChem
J5.665K	Nikkaji
2635	DrugCentral
HMDB0015559	Human Metabolome Database
PA164754875	PharmGKB
ZINC000022446685	ZINC
DTXSID1023655	EPA CompTox Dashboard
CB3912908	ChemicalBook
81793	BindingDB
THIOPROPERAZINE	rxnorm
The data in this table is sourced from UniChem at EBI.