Dataset

Niflumic acid; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU115404 contains the MS2 mass spectrum of Niflumic acid with the InChIkey JZFPYUNJRRFVQU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
SMILES c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
InChI Key JZFPYUNJRRFVQU-UHFFFAOYSA-N
Molecular Formula C13H9F3N2O2
Exact Mass 282.062 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-AU115404
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MetadataPublished 2015-09-23
Related Molecule
  • 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000125031 ZINC
    1925 DrugCentral
    DTXSID1023368 EPA CompTox Dashboard
    34888 ChEBI
    HY-B0493 MedChemExpress
    NIFLUMIC ACID rxnorm
    NIFLUM CCDC
    85507 BindingDB
    J9.623G Nikkaji
    CB3307557 ChemicalBook
    CHEMBL63323 ChEMBL
    DB04552 DrugBank
    2439 Guide to Pharmacology
    NFL PDBe
    C13698 KEGG Ligand
    4488 PubChem
    PD001431 ProbesDrugs
    4U5MP5IUD8 FDA SRS
    LSM-6016 LINCS
    14750946 PubChem: Thomson Pharma
    PA164746749 PharmGKB
    niflumic-acid Selleck
    4394-00-7 ACToR
    592427 eMolecules
    NIFLUMIC ACID clinicaltrials
    NIFLUGEL clinicaltrials
    HMDB0015573 Human Metabolome Database
    MCULE-3027710274 Mcule
    SCHEMBL24706 SureChEMBL
    The data in this table is sourced from UniChem at EBI.