Dataset

Ketorolac

This MassBank record with Accession MSBNK-Eawag-EQ01077903 contains the MS2 mass spectrum of Ketorolac with the InChIkey OZWKMVRBQXNZKK-UHFFFAOYSA-N.

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

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01077903
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:10:37.248724
MetadataModified	2025-02-09T10:10:37.413466
MetadataPublished	2024-06-14
Related Molecule

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.