Dataset

Triticonazole; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00355703 contains the MS2 mass spectrum of Triticonazole with the InChIkey PPDBOQMNKNNODG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3
SMILES CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1
InChI Key PPDBOQMNKNNODG-UHFFFAOYSA-N
Molecular Formula C17H20ClN3O
Exact Mass 317.129 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-EQ00355703
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MetadataPublished 2024-06-14
Related Molecule
  • 5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2356309 chembl
    626861 surechembl
    86233 pubchem
    PD044793 probes_and_drugs
    HMDB0259283 hmdb
    Molport-047-786-068 molport
    The data in this table is sourced from UniChem at EBI.