Dataset

Metconazole; LC-ESI-QTOF; MS2; 30 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016954 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(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
InChI Key XWPZUHJBOLQNMN-UHFFFAOYSA-N
Molecular Formula C17H22ClN3O
Exact Mass 319.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016954
Version
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Maintainer
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MetadataPublished 2023-11-10
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.