Dataset

Flunixin

This MassBank record with Accession MSBNK-Athens_Univ-AU114801 contains the MS2 mass spectrum of Flunixin with the InChIkey NOOCSNJCXJYGPE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
SMILES Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F
InChI Key NOOCSNJCXJYGPE-UHFFFAOYSA-N
Molecular Formula C14H11F3N2O2
Exact Mass 296.077 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-Athens_Univ-AU114801
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:08:08.678193
MetadataModified 2025-02-08T18:58:32.910110
MetadataPublished 2015-09-23
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1617398 ChEMBL
CUGDAM CCDC
J15.816J Nikkaji
HMDB0252340 Human Metabolome Database
ZINC000000001467 ZINC
FLUNIXIN rxnorm
FLUNIXIN MEGLUMINE rxnorm
DTXSID4048565 EPA CompTox Dashboard
DB11518 DrugBank
CB2471194 ChemicalBook
38677-85-9 ACToR
356IB1O400 FDA SRS
15072570 PubChem: Thomson Pharma
PD013311 ProbesDrugs
38081 PubChem
JBO PDBe
901903 eMolecules
SCHEMBL42911 SureChEMBL
76138 ChEBI
50201618 BindingDB
The data in this table is sourced from UniChem at EBI.