Dataset

Triadimefon; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01131703 contains the MS2 mass spectrum of Triadimefon with the InChIkey WURBVZBTWMNKQT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
SMILES CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl
InChI Key WURBVZBTWMNKQT-UHFFFAOYSA-N
Molecular Formula C14H16ClN3O2
Exact Mass 293.093 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-EQ01131703
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MetadataPublished 2023-04-27
Related Molecule
  • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:84002 chebi
    CHEMBL520897 chembl
    21204 surechembl
    39385 pubchem
    1HW039CJF0 fdasrs
    PD000952 probes_and_drugs
    11562 brenda
    14052 brenda
    HMDB0259142 hmdb
    Molport-001-886-762 molport
    50295561 bindingdb
    The data in this table is sourced from UniChem at EBI.