Dataset

Ketoprofen

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00826 contains the MS2 mass spectrum of Ketoprofen with the InChIkey DKYWVDODHFEZIM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
SMILES CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI Key DKYWVDODHFEZIM-UHFFFAOYSA-N
Molecular Formula C16H14O3
Exact Mass 254.094 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-Washington_State_Univ-BML00826
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:46.655095
MetadataModified 2024-01-11T22:27:46.819062
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD001443 ProbesDrugs
KETOPROFEN LYSINE clinicaltrials
KETOPROFEN LYSINE SALT clinicaltrials
LSM-1955 LINCS
15122326 PubChem: Thomson Pharma
154907-35-4 ACToR
PA450149 PharmGKB
Ketoprofen(Actron) Selleck
22071-15-4 ACToR
J389.199B Nikkaji
J3.468A Nikkaji
SCHEMBL2896 SureChEMBL
4795 Guide to Pharmacology
3825 PubChem
20207463 NMRShiftDB
J389.200J Nikkaji
135254 Brenda
104478 Brenda
55515 Brenda
CB3299418 ChemicalBook
ketoprofen DailyMed
HMDB0015144 Human Metabolome Database
MCULE-9740144074 Mcule
90Y4QC304K FDA SRS
1528 DrugCentral
50022271 BindingDB
KETOPROFEN DailyMed
KETOPROFEN rxnorm
ACTRON clinicaltrials
SECTOR clinicaltrials
KETOPROFEN clinicaltrials
ALRHEUMAT clinicaltrials
RP-19583 clinicaltrials
NEXCEDE clinicaltrials
DIRACTIN clinicaltrials
CAPISTEN clinicaltrials
HY-B0227 MedChemExpress
ORUDIS clinicaltrials
ORUVAIL clinicaltrials
IDEA-033 clinicaltrials
19583RP clinicaltrials
DTXSID6020771 EPA CompTox Dashboard
499326 eMolecules
6128 ChEBI
SAM002264620 NIH Clinical Collection
C01716 KEGG Ligand
CHEMBL571 ChEMBL
DB01009 DrugBank
The data in this table is sourced from UniChem at EBI.