Dataset

Dithiopyr; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01135805 contains the MS2 mass spectrum of Dithiopyr with the InChIkey YUBJPYNSGLJZPQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3
SMILES CC(C)CC1=C(C(=NC(=C1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC
InChI Key YUBJPYNSGLJZPQ-UHFFFAOYSA-N
Molecular Formula C15H16F5NO2S2
Exact Mass 401.054 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-EQ01135805
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MetadataPublished 2023-04-27
Related Molecule
  • 3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15230 drugbank
    CHEBI:81987 chebi
    CHEMBL1902931 chembl
    29435437 surechembl
    55203 surechembl
    91757 pubchem
    2TXF17HAV1 fdasrs
    PD122002 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.