Dataset

Felbinac

This MassBank record with Accession MSBNK-Eawag-EQ01162707 contains the MS2 mass spectrum of Felbinac with the InChIkey QRZAKQDHEVVFRX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
InChI Key QRZAKQDHEVVFRX-UHFFFAOYSA-N
Molecular Formula C14H12O2
Exact Mass 212.084 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-EQ01162707
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:57:35.228941
MetadataModified 2025-02-09T09:57:35.393036
MetadataPublished 2024-01-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
TRAXAM clinicaltrials
FELBINAC clinicaltrials
HY-B0641 MedChemExpress
KUZWEI CCDC
HMDB0246378 Human Metabolome Database
DTXSID0045389 EPA CompTox Dashboard
ZINC000000002318 ZINC
1141 DrugCentral
J105.145H Nikkaji
FELBINAC rxnorm
CHEMBL413965 ChEMBL
12013864 PubChem: Drugs of the Future
31597 ChEBI
BP4 PDBe
DB07477 DrugBank
PD000177 ProbesDrugs
94WNJ5U8L7 FDA SRS
15171954 PubChem: Thomson Pharma
5728-52-9 ACToR
LSM-5965 LINCS
487487 eMolecules
PA166049177 PharmGKB
CB0186272 ChemicalBook
223312 BindingDB
54683 Brenda
MCULE-4188902854 Mcule
SCHEMBL26084 SureChEMBL
3332 PubChem
The data in this table is sourced from UniChem at EBI.