Dataset

Ketorolac; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01077902 contains the MS2 mass spectrum of Ketorolac with the InChIkey OZWKMVRBQXNZKK-UHFFFAOYSA-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)
SMILES C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O
InChI Key OZWKMVRBQXNZKK-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01077902
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • 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
    DB00465 drugbank
    CHEBI:6129 chebi
    CHEBI:76223 chebi
    CHEMBL469 chembl
    14891 surechembl
    3826 pubchem
    6661 gtopdb
    PD010012 probes_and_drugs
    122879 brenda
    YZI5105V0L fdasrs
    HMDB0014608 hmdb
    Molport-005-933-093 molport
    1529 drugcentral
    85511 bindingdb
    The data in this table is sourced from UniChem at EBI.