Dataset

Imibenconazole; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01137301 contains the MS2 mass spectrum of Imibenconazole with the InChIkey AGKSTYPVMZODRV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
SMILES C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl
InChI Key AGKSTYPVMZODRV-UHFFFAOYSA-N
Molecular Formula C17H13Cl3N4S
Exact Mass 409.993 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-EQ01137301
Version
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MetadataPublished 2023-04-27
Related Molecule
  • (4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81767 chebi
    22900 surechembl
    KQY333M0BE fdasrs
    The data in this table is sourced from UniChem at EBI.