Dataset

Ketoprofen; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF408604 contains the MS2 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(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF408604
Version
Author
Maintainer
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MetadataPublished 2017-01-05
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
    103088 bindingdb
    103141 bindingdb
    103431 bindingdb
    103561 bindingdb
    103598 bindingdb
    103653 bindingdb
    103858 bindingdb
    103867 bindingdb
    104001 bindingdb
    176653 bindingdb
    176678 bindingdb
    178949 bindingdb
    179005 bindingdb
    179006 bindingdb
    200138 bindingdb
    294327 bindingdb
    390317 bindingdb
    390318 bindingdb
    390319 bindingdb
    390320 bindingdb
    390321 bindingdb
    410488 bindingdb
    410490 bindingdb
    410492 bindingdb
    410495 bindingdb
    50018746 bindingdb
    50033670 bindingdb
    50148477 bindingdb
    50199092 bindingdb
    50236402 bindingdb
    50236408 bindingdb
    50376656 bindingdb
    50425816 bindingdb
    50621731 bindingdb
    50621738 bindingdb
    50647192 bindingdb
    50952706 bindingdb
    51026276 bindingdb
    51026331 bindingdb
    51026850 bindingdb
    51128595 bindingdb
    51128596 bindingdb
    51160331 bindingdb
    51180328 bindingdb
    51182001 bindingdb
    51186815 bindingdb
    51215726 bindingdb
    51215746 bindingdb
    51215752 bindingdb
    51565602 bindingdb
    51565603 bindingdb
    Molport-001-684-346 molport
    1528 drugcentral
    The data in this table is sourced from UniChem at EBI.