Dataset

Pyraflufen-ethyl; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00355206 contains the MS2 mass spectrum of Pyraflufen-ethyl with the InChIkey APTZNLHMIGJTEW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3
SMILES CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl
InChI Key APTZNLHMIGJTEW-UHFFFAOYSA-N
Molecular Formula C15H13Cl2F3N2O4
Exact Mass 412.020 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00355206
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MetadataPublished 2024-06-14
Related Molecule
  • ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81828 chebi
    CHEMBL1905010 chembl
    29480904 surechembl
    53390 surechembl
    182951 pubchem
    XOC9Q2DLMI fdasrs
    PD171017 probes_and_drugs
    Molport-051-476-100 molport
    The data in this table is sourced from UniChem at EBI.