Dataset

Thioproperazine (oxide); LC-ESI-Q; MS; POS; 75 V

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

Chemical Information

molecular Image
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

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
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01622 DrugBank
    CHEMBL609109 ChEMBL
    59120 ChEBI
    PA164754875 PharmGKB
    2635 DrugCentral
    81793 BindingDB
    CB3912908 ChemicalBook
    DTXSID1023655 EPA CompTox Dashboard
    THIOPROPERAZINE rxnorm
    J5.665K Nikkaji
    14783972 PubChem: Thomson Pharma
    YJ050AQ56X FDA SRS
    SCHEMBL49902 SureChEMBL
    316-81-4 ACToR
    LSM-2170 LINCS
    PD009442 ProbesDrugs
    35864917 eMolecules
    ZINC000022446685 ZINC
    HMDB0015559 Human Metabolome Database
    9429 PubChem
    The data in this table is sourced from UniChem at EBI.