Dataset

Flupentixol; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002114 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-WA002114
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00875 drugbank
    CHEBI:10454 chebi
    CHEMBL54661 chembl
    29361845 surechembl
    29620416 surechembl
    34200 surechembl
    5281881 pubchem
    FA0UYH6QUO fdasrs
    A1EKL pdbe
    PD050297 probes_and_drugs
    FLPNTX CCDC
    151908 brenda
    38545 brenda
    DTXSID9046310 comptox
    NCT01164059 clinicaltrials
    NCT01851863 clinicaltrials
    NCT02179931 clinicaltrials
    NCT02307396 clinicaltrials
    NCT02374567 clinicaltrials
    NCT02660840 clinicaltrials
    NCT03205228 clinicaltrials
    NCT03472651 clinicaltrials
    NCT04898270 clinicaltrials
    NCT04970667 clinicaltrials
    79172 bindingdb
    The data in this table is sourced from UniChem at EBI.