Dataset

Metconazole; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ317104 contains the MS2 mass spectrum of Metconazole with the InChIkey XWPZUHJBOLQNMN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H22ClN3O/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/h3-6,11-12,14,22H,7-10H2,1-2H3
SMILES Clc1ccc(cc1)CC2C(O)(C(CC2)(C)C)Cn3ncnc3
InChI Key XWPZUHJBOLQNMN-UHFFFAOYSA-N
Molecular Formula C17H22ClN3O
Exact Mass 319.145 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-EQ317104
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MetadataPublished 2015-08-25
Related Molecule
  • 5-[(4-chlorophenyl)methyl]-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
    CHEBI:81773 chebi
    CHEMBL1883512 chembl
    21013 surechembl
    86210 pubchem
    Molport-003-931-383 molport
    The data in this table is sourced from UniChem at EBI.