Dataset

Cyproconazole; LC-ESI-QTOF; MS2; CE: Ramp 21.3-32.0 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU256806 contains the MS2 mass spectrum of Cyproconazole with the InChIkey UFNOUKDBUJZYDE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
SMILES CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1
InChI Key UFNOUKDBUJZYDE-UHFFFAOYSA-N
Molecular Formula C15H18ClN3O
Exact Mass 291.114 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-AU256806
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MetadataPublished 2019-05-31
Related Molecule
  • 2-(4-chlorophenyl)-3-cyclopropyl-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:83748 chebi
    CHEMBL2131954 chembl
    20791 surechembl
    86132 pubchem
    622B9C3E6T fdasrs
    PD063800 probes_and_drugs
    24379 brenda
    HMDB0250696 hmdb
    Molport-009-681-473 molport
    The data in this table is sourced from UniChem at EBI.