Dataset

Flunixin; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

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

Chemical Information

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
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MetadataPublished 2015-09-23
Related Molecule
  • 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
    • 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.