Dataset

Ketotifen; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01077805 contains the MS2 mass spectrum of Ketotifen with the InChIkey ZCVMWBYGMWKGHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
SMILES CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
InChI Key ZCVMWBYGMWKGHF-UHFFFAOYSA-N
Molecular Formula C19H19NOS
Exact Mass 309.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01077805
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00920 drugbank
    CHEBI:92511 chebi
    CHEMBL534 chembl
    29356083 surechembl
    4436 surechembl
    3827 pubchem
    X49220T18G fdasrs
    7206 gtopdb
    PD009641 probes_and_drugs
    11776 brenda
    HMDB0015056 hmdb
    Molport-001-933-278 molport
    1530 drugcentral
    50002087 bindingdb
    94597 bindingdb
    The data in this table is sourced from UniChem at EBI.