Dataset

Isoxaflutole; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00348854 contains the MS2 mass spectrum of Isoxaflutole with the InChIkey OYIKARCXOQLFHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
SMILES CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1
InChI Key OYIKARCXOQLFHF-UHFFFAOYSA-N
Molecular Formula C15H12F3NO4S
Exact Mass 359.044 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-EQ00348854
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MetadataPublished 2024-06-14
Related Molecule
  • (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12938 drugbank
    CHEBI:141213 chebi
    CHEMBL1887147 chembl
    29355326 surechembl
    66989 surechembl
    84098 pubchem
    0T9R0O0EYT fdasrs
    PD058351 probes_and_drugs
    KETGID CCDC
    219882 brenda
    HMDB0253710 hmdb
    Molport-003-933-833 molport
    The data in this table is sourced from UniChem at EBI.