Dataset

Ketoprofen; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81526 contains the MS mass spectrum of Ketoprofen with the InChIkey DKYWVDODHFEZIM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
SMILES CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI Key DKYWVDODHFEZIM-UHFFFAOYSA-N
Molecular Formula C16H14O3
Exact Mass 254.094 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-Washington_State_Univ-BML81526
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(3-benzoylphenyl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01009 drugbank
    CHEBI:6128 chebi
    CHEMBL571 chembl
    2896 surechembl
    679920 surechembl
    3825 pubchem
    90Y4QC304K fdasrs
    4795 gtopdb
    PD001443 probes_and_drugs
    104478 brenda
    135254 brenda
    55515 brenda
    HMDB0015144 hmdb
    Molport-001-684-346 molport
    1528 drugcentral
    50022271 bindingdb
    The data in this table is sourced from UniChem at EBI.