Dataset

Fenbuconazole; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00352005 contains the MS2 mass spectrum of Fenbuconazole with the InChIkey RQDJADAKIFFEKQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
SMILES C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N
InChI Key RQDJADAKIFFEKQ-UHFFFAOYSA-N
Molecular Formula C19H17ClN4
Exact Mass 336.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00352005
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83920 chebi
    CHEMBL1879687 chembl
    21792 surechembl
    86138 pubchem
    P9P3C2AL0Z fdasrs
    207863 brenda
    207864 brenda
    Molport-003-959-413 molport
    The data in this table is sourced from UniChem at EBI.