Dataset

Triflupromazine (oxide); LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002011 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-WA002011
Version
Author
Maintainer
Language
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
    MCULE-9151902507 Mcule
    5568 PubChem
    HMDB0014650 Human Metabolome Database
    6695 Brenda
    151912 Brenda
    142792 Brenda
    LSM-3421 LINCS
    RO16TQF95Y FDA SRS
    PD009989 ProbesDrugs
    14925496 PubChem: Thomson Pharma
    SCHEMBL44085 SureChEMBL
    PA451773 PharmGKB
    146-54-3 ACToR
    1989361 eMolecules
    DB00508 DrugBank
    CHEMBL570 ChEMBL
    9711 ChEBI
    J2.957B Nikkaji
    4330 Guide to Pharmacology
    ZINC000000538507 ZINC
    2742 DrugCentral
    DTXSID9023704 EPA CompTox Dashboard
    TRIFLUPROMAZINE rxnorm
    TRIFLUPROMAZINE HYDROCHLORIDE rxnorm
    67544 BindingDB
    The data in this table is sourced from UniChem at EBI.