Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01127104 contains the MS2 mass spectrum of Hexaconazole with the InChIkey STMIIPIFODONDC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
SMILES CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI Key STMIIPIFODONDC-UHFFFAOYSA-N
Molecular Formula C14H17Cl2N3O
Exact Mass 313.075 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-EQ01127104
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MetadataPublished 2023-04-27
Related Molecule
  • 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83711 chebi
    CHEMBL1898860 chembl
    21992 surechembl
    29368626 surechembl
    66461 pubchem
    SX9R3X1FQV fdasrs
    PD063824 probes_and_drugs
    24380 brenda
    Molport-003-930-642 molport
    The data in this table is sourced from UniChem at EBI.