Dataset

Penflufen; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01138607 contains the MS2 mass spectrum of Penflufen with the InChIkey GOFJDXZZHFNFLV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)
SMILES CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C
InChI Key GOFJDXZZHFNFLV-UHFFFAOYSA-N
Molecular Formula C18H24FN3O
Exact Mass 317.190 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-EQ01138607
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8252E275KT FDA SRS
    DTXSID9058107 EPA CompTox Dashboard
    J2.802.151H Nikkaji
    16778096 PubChem: Thomson Pharma
    83134 ChEBI
    SCHEMBL69448 SureChEMBL
    11674113 PubChem
    The data in this table is sourced from UniChem at EBI.