Dataset

Flupentixol; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002116 contains the MS mass spectrum of Flupentixol with the InChIkey NJMYODHXAKYRHW-DVZOWYKESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
SMILES OCCN(C4)CCN(C4)CCC=C(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
InChI Key NJMYODHXAKYRHW-DVZOWYKESA-N
Molecular Formula C23H25F3N2OS
Exact Mass 434.164 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-WA002116
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Maintainer
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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
    DTXSID9046310 EPA CompTox Dashboard
    79172 BindingDB
    FLUPENTIXOL clinicaltrials
    10454 ChEBI
    FLPNTX CCDC
    J10.870G Nikkaji
    LSM-43011 LINCS
    DB00875 DrugBank
    C11191 KEGG Ligand
    948 Guide to Pharmacology
    CHEMBL54661 ChEMBL
    PD050297 ProbesDrugs
    FA0UYH6QUO FDA SRS
    5281881 PubChem
    2709-56-0 ACToR
    14807748 PubChem: Thomson Pharma
    53772-82-0 ACToR
    SCHEMBL34200 SureChEMBL
    151908 Brenda
    38545 Brenda
    ZINC000029489118 ZINC
    The data in this table is sourced from UniChem at EBI.