Dataset

Ketoprofen

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00846 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-BML00846
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:45.378812
MetadataModified 2024-01-11T22:23:45.527603
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
22071-15-4 ACToR
Ketoprofen(Actron) Selleck
PA450149 PharmGKB
154907-35-4 ACToR
20207463 NMRShiftDB
3825 PubChem
SCHEMBL2896 SureChEMBL
499326 eMolecules
ketoprofen DailyMed
CB3299418 ChemicalBook
55515 Brenda
HMDB0015144 Human Metabolome Database
135254 Brenda
104478 Brenda
DTXSID6020771 EPA CompTox Dashboard
MCULE-9740144074 Mcule
1528 DrugCentral
50022271 BindingDB
J389.199B Nikkaji
KETOPROFEN rxnorm
RP-19583 clinicaltrials
NEXCEDE clinicaltrials
DIRACTIN clinicaltrials
CAPISTEN clinicaltrials
ACTRON clinicaltrials
SECTOR clinicaltrials
KETOPROFEN clinicaltrials
ALRHEUMAT clinicaltrials
ORUDIS clinicaltrials
ORUVAIL clinicaltrials
IDEA-033 clinicaltrials
19583RP clinicaltrials
HY-B0227 MedChemExpress
90Y4QC304K FDA SRS
4795 Guide to Pharmacology
J3.468A Nikkaji
J389.200J Nikkaji
KETOPROFEN DailyMed
C01716 KEGG Ligand
DB01009 DrugBank
CHEMBL571 ChEMBL
6128 ChEBI
SAM002264620 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.