Dataset

KETOROLAC

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

Chemical Info

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
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:10:00.444002
MetadataModified 2025-02-09T19:56:31.631719
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-B0580B MedChemExpress
10A5O25ILE FDA SRS
ZINC000000002279 ZINC
HOJSAB CCDC
J269.530H Nikkaji
CB52226607 ChemicalBook
50234661 BindingDB
CHEMBL1619630 ChEMBL
10557302 eMolecules
PD054513 ProbesDrugs
KTR PDBe
SCHEMBL4103 SureChEMBL
181818 PubChem
14847844 PubChem: Thomson Pharma
14823577 PubChem: Thomson Pharma
66635-93-6 ACToR
76227 ChEBI
The data in this table is sourced from UniChem at EBI.