Dataset

Triflupromazine (oxide); LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002012 contains the MS mass spectrum of Triflupromazine (oxide) with the InChIkey XSCGXQMFQXDFCW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
SMILES CN(C)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
InChI Key XSCGXQMFQXDFCW-UHFFFAOYSA-N
Molecular Formula C18H19F3N2S
Exact Mass 352.122 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-WA002012
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00508 drugbank
    CHEBI:9711 chebi
    CHEMBL570 chembl
    44085 surechembl
    5568 pubchem
    RO16TQF95Y fdasrs
    4330 gtopdb
    PD009989 probes_and_drugs
    142792 brenda
    151912 brenda
    6695 brenda
    HMDB0014650 hmdb
    DTXSID9023704 comptox
    Molport-006-111-062 molport
    2742 drugcentral
    32668886 surechembl
    67544 bindingdb
    The data in this table is sourced from UniChem at EBI.