Dataset

Epoxiconazole; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU257404 contains the MS2 mass spectrum of Epoxiconazole with the InChIkey ZMYFCFLJBGAQRS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2
SMILES FC1=CC=C(C=C1)C1(CN2C=NC=N2)OC1C1=C(Cl)C=CC=C1
InChI Key ZMYFCFLJBGAQRS-UHFFFAOYSA-N
Molecular Formula C17H13ClFN3O
Exact Mass 329.073 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-AU257404
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Maintainer
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MetadataPublished 2019-05-29
Related Molecule
  • 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD094714 ProbesDrugs
    SCHEMBL21976 SureChEMBL
    29543324 eMolecules
    16390314 PubChem: Thomson Pharma
    106325-08-0 ACToR
    HMDB0242676 Human Metabolome Database
    DTXSID1040372 EPA CompTox Dashboard
    CHEMBL3184033 ChEMBL
    83758 ChEBI
    18193 Brenda
    CB72130517 ChemicalBook
    3317081 PubChem
    The data in this table is sourced from UniChem at EBI.