Dataset

Propiconazole; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA021205 contains the MS2 mass spectrum of Propiconazole with the InChIkey STJLVHWMYQXCPB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
SMILES CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI Key STJLVHWMYQXCPB-UHFFFAOYSA-N
Molecular Formula C15H17Cl2N3O2
Exact Mass 341.069 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-Eawag-EA021205
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Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8489 chebi
    CHEMBL560579 chembl
    21081 surechembl
    29404305 surechembl
    43234 pubchem
    142KW8TBSR fdasrs
    PD080615 probes_and_drugs
    10759 brenda
    HMDB0256825 hmdb
    50295562 bindingdb
    The data in this table is sourced from UniChem at EBI.