Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU205501 contains the MS2 mass spectrum of Flufenacet-OXA with the InChIkey FFKNXXCOXIZLJD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12FNO3/c1-7(2)13(10(14)11(15)16)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,15,16)
SMILES CC(C)N(C(=O)C(O)=O)C1=CC=C(F)C=C1
InChI Key FFKNXXCOXIZLJD-UHFFFAOYSA-N
Molecular Formula C11H12FNO3
Exact Mass 225.080 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-AU205501
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MetadataPublished 2015-12-03
Related Molecule
  • 2-(4-fluoro-N-propan-2-ylanilino)-2-oxoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    201668-31-7 ACToR
    24281261 eMolecules
    83474 ChEBI
    ZINC000043215005 ZINC
    DTXSID2037552 EPA CompTox Dashboard
    MHK948F670 FDA SRS
    J1.704.093F Nikkaji
    16212222 PubChem
    The data in this table is sourced from UniChem at EBI.