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
    499326 eMolecules
    PD001443 ProbesDrugs
    KETOPROFEN LYSINE clinicaltrials
    KETOPROFEN LYSINE SALT clinicaltrials
    LSM-1955 LINCS
    15122326 PubChem: Thomson Pharma
    154907-35-4 ACToR
    PA450149 PharmGKB
    Ketoprofen(Actron) Selleck
    22071-15-4 ACToR
    135254 Brenda
    104478 Brenda
    ketoprofen DailyMed
    CB3299418 ChemicalBook
    HMDB0015144 Human Metabolome Database
    55515 Brenda
    SCHEMBL2896 SureChEMBL
    20207463 NMRShiftDB
    3825 PubChem
    J389.200J Nikkaji
    J389.199B Nikkaji
    J3.468A Nikkaji
    4795 Guide to Pharmacology
    1528 DrugCentral
    DTXSID6020771 EPA CompTox Dashboard
    MCULE-9740144074 Mcule
    90Y4QC304K FDA SRS
    19583RP clinicaltrials
    IDEA-033 clinicaltrials
    ORUVAIL clinicaltrials
    ORUDIS clinicaltrials
    HY-B0227 MedChemExpress
    DIRACTIN clinicaltrials
    NEXCEDE clinicaltrials
    RP-19583 clinicaltrials
    ALRHEUMAT clinicaltrials
    KETOPROFEN clinicaltrials
    SECTOR clinicaltrials
    ACTRON clinicaltrials
    CAPISTEN clinicaltrials
    KETOPROFEN DailyMed
    KETOPROFEN rxnorm
    50022271 BindingDB
    C01716 KEGG Ligand
    DB01009 DrugBank
    CHEMBL571 ChEMBL
    6128 ChEBI
    SAM002264620 NIH Clinical Collection
    The data in this table is sourced from UniChem at EBI.