Dataset

Ketorolac; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01077901 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-EQ01077901
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
    3826 PubChem
    PD010012 ProbesDrugs
    KETOROLAC TROMETAMOL clinicaltrials
    LSM-1526 LINCS
    14774471 PubChem: Thomson Pharma
    66635-83-4 ACToR
    PA450150 PharmGKB
    74103-06-3 ACToR
    902006 eMolecules
    ketorolac DailyMed
    122879 Brenda
    HMDB0014608 Human Metabolome Database
    CB6392833 ChemicalBook
    SCHEMBL14891 SureChEMBL
    6129 ChEBI
    76223 ChEBI
    12013083 PubChem: Drugs of the Future
    DB00465 DrugBank
    C07062 KEGG Ligand
    CHEMBL469 ChEMBL
    1529 DrugCentral
    85511 BindingDB
    SPRIX rxnorm
    ACULAR rxnorm
    KETOROLAC rxnorm
    ACUVAIL rxnorm
    KETOROLAC TROMETHAMINE rxnorm
    TORADOL clinicaltrials
    ACUVAIL clinicaltrials
    DOLAC clinicaltrials
    ACULAR clinicaltrials
    KETOROLAC clinicaltrials
    KETOROLAC TROMETHAMINE clinicaltrials
    SPRIX clinicaltrials
    HY-B0580 MedChemExpress
    YZI5105V0L FDA SRS
    MCULE-3065255051 Mcule
    DTXSID8023189 EPA CompTox Dashboard
    6661 Guide to Pharmacology
    J1.487.487I Nikkaji
    KETOROLAC DailyMed
    The data in this table is sourced from UniChem at EBI.