Dataset

Mefenpyr-diethyl; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00316904 contains the MS2 mass spectrum of Mefenpyr-diethyl with the InChIkey OPGCOAPTHCZZIW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3
SMILES CCOC(=O)C1=NN(C2=C(Cl)C=C(Cl)C=C2)C(C)(C1)C(=O)OCC
InChI Key OPGCOAPTHCZZIW-UHFFFAOYSA-N
Molecular Formula C16H18Cl2N2O4
Exact Mass 372.064 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-EQ00316904
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MetadataPublished 2024-06-14
Related Molecule
  • diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1895160 chembl
    23722 surechembl
    10937610 pubchem
    RHH2Z9715C fdasrs
    PD157643 probes_and_drugs
    Molport-005-937-109 molport
    The data in this table is sourced from UniChem at EBI.