Dataset

Flubendiamide; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01125858 contains the MS2 mass spectrum of Flubendiamide with the InChIkey ZGNITFSDLCMLGI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
SMILES CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C
InChI Key ZGNITFSDLCMLGI-UHFFFAOYSA-N
Molecular Formula C23H22F7IN2O4S
Exact Mass 682.023 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-EQ01125858
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MetadataPublished 2023-04-27
Related Molecule
  • 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38798 chebi
    A1LVX rcsb_pdb
    CHEMBL563789 chembl
    27362 surechembl
    29369179 surechembl
    11193251 pubchem
    GEV84ZI4K6 fdasrs
    PD210602 probes_and_drugs
    HATLEX CCDC
    A1LVX - Ideal conformer pdbe
    HMDB0252325 hmdb
    Molport-023-334-686 molport
    50488569 bindingdb
    The data in this table is sourced from UniChem at EBI.