Dataset

Diclobutrazol; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01122904 contains the MS2 mass spectrum of Diclobutrazol with the InChIkey URDNHJIVMYZFRT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
SMILES CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
InChI Key URDNHJIVMYZFRT-UHFFFAOYSA-N
Molecular Formula C15H19Cl2N3O
Exact Mass 327.091 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-EQ01122904
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MetadataPublished 2023-04-27
Related Molecule
  • 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:4506 chebi
    CHEMBL1553129 chembl
    21654 surechembl
    53309 pubchem
    PD210527 probes_and_drugs
    HMDB0251205 hmdb
    Molport-003-931-088 molport
    The data in this table is sourced from UniChem at EBI.