Dataset

Mefentrifluconazole; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01127909 contains the MS2 mass spectrum of Mefentrifluconazole with the InChIkey JERZEQUMJNCPRJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H15ClF3N3O2/c1-17(26,9-25-11-23-10-24-25)15-7-6-14(8-16(15)18(20,21)22)27-13-4-2-12(19)3-5-13/h2-8,10-11,26H,9H2,1H3
SMILES CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O
InChI Key JERZEQUMJNCPRJ-UHFFFAOYSA-N
Molecular Formula C18H15ClF3N3O2
Exact Mass 397.080 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-EQ01127909
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MetadataPublished 2023-04-27
Related Molecule
  • 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:144539 chebi
    14645411 surechembl
    29363144 surechembl
    71230671 pubchem
    D9EYN9N7UI fdasrs
    PD157602 probes_and_drugs
    Molport-047-154-582 molport
    The data in this table is sourced from UniChem at EBI.