Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00354504 contains the MS2 mass spectrum of Clodinafop-propargyl with the InChIkey JBDHZKLJNAIJNC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3
SMILES CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=NC=C(C=C2F)Cl
InChI Key JBDHZKLJNAIJNC-UHFFFAOYSA-N
Molecular Formula C17H13ClFNO4
Exact Mass 349.052 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-Eawag-EQ00354504
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MetadataPublished 2024-06-14
Related Molecule
  • prop-2-ynyl 2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    63886 surechembl
    6916151 pubchem
    BY3NXH6SAL fdasrs
    PD157646 probes_and_drugs
    129349 brenda
    HMDB0244318 hmdb
    The data in this table is sourced from UniChem at EBI.