Dataset

Metconazole; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU258301 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 CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1
InChI Key XWPZUHJBOLQNMN-UHFFFAOYSA-N
Molecular Formula C17H22ClN3O
Exact Mass 319.145 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU258301
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MetadataPublished 2019-05-29
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
    502880 eMolecules
    86210 PubChem
    125116-23-6 ACToR
    14826107 PubChem: Thomson Pharma
    SCHEMBL21013 SureChEMBL
    J676.712E Nikkaji
    81773 ChEBI
    DTXSID4034497 EPA CompTox Dashboard
    CB5332939 ChemicalBook
    C18476 KEGG Ligand
    CHEMBL1883512 ChEMBL
    The data in this table is sourced from UniChem at EBI.