Dataset

Triadimenol; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU258205 contains the MS2 mass spectrum of Triadimenol with the InChIkey BAZVSMNPJJMILC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
SMILES CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1
InChI Key BAZVSMNPJJMILC-UHFFFAOYSA-N
Molecular Formula C14H18ClN3O2
Exact Mass 295.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU258205
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MetadataPublished 2019-05-29
Related Molecule
  • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:9666 chebi
    CHEMBL520275 chembl
    21795 surechembl
    41368 pubchem
    NFR7MRD9NM fdasrs
    PD078862 probes_and_drugs
    HMDB0259143 hmdb
    Molport-002-541-952 molport
    50486175 bindingdb
    The data in this table is sourced from UniChem at EBI.