Dataset

KETOROLAC; ESI-QTOF; MS2; CE 20 eV; [M+H]+

This MassBank record with Accession MSBNK-UPAO-UPA00021 contains the MS2 mass spectrum of KETOROLAC with the InChIkey OZWKMVRBQXNZKK-LLVKDONJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1
SMILES OC(=O)[C@H](C3)c(c2)n(C3)c(c2)C(=O)c(c1)cccc1
InChI Key OZWKMVRBQXNZKK-LLVKDONJSA-N
Molecular Formula C15H13NO3
Exact Mass 255.090 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-UPAO-UPA00021
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:76227 chebi
    KTR rcsb_pdb
    CHEMBL1619630 chembl
    4103 surechembl
    181818 pubchem
    10A5O25ILE fdasrs
    PD054513 probes_and_drugs
    HOJSAB CCDC
    KTR - Ideal conformer pdbe
    Molport-006-394-740 molport
    50234661 bindingdb
    The data in this table is sourced from UniChem at EBI.