Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU103001 contains the MS2 mass spectrum of Flumequine with the InChIkey DPSPPJIUMHPXMA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
SMILES CC1CCC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2
InChI Key DPSPPJIUMHPXMA-UHFFFAOYSA-N
Molecular Formula C14H12FNO3
Exact Mass 261.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU103001
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MetadataPublished 2019-05-30
Related Molecule
  • 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08972 drugbank
    CHEBI:85269 chebi
    CHEMBL370252 chembl
    29465201 surechembl
    49829 surechembl
    3374 pubchem
    UVG8VSP2SJ fdasrs
    13650 gtopdb
    PD001520 probes_and_drugs
    HMDB0041895 hmdb
    Molport-003-666-337 molport
    1197 drugcentral
    The data in this table is sourced from UniChem at EBI.