Dataset

Prothioconazole-desethio; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ317606 contains the MS2 mass spectrum of Prothioconazole-desethio with the InChIkey HHUQPWODPBDTLI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
SMILES Clc1ccccc1CC(O)(C2(Cl)CC2)Cn3ncnc3
InChI Key HHUQPWODPBDTLI-UHFFFAOYSA-N
Molecular Formula C14H15Cl2N3O
Exact Mass 311.059 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ317606
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MetadataPublished 2015-08-25
Related Molecule
  • 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:177046 chebi
    CHEMBL2288018 chembl
    2491761 surechembl
    29405397 surechembl
    119361 pubchem
    224417 brenda
    Y3EX17303Q fdasrs
    Molport-046-837-251 molport
    The data in this table is sourced from UniChem at EBI.