Dataset

Flubendiamide; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01125806 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-EQ01125806
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Maintainer
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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
    11193251 PubChem
    GEV84ZI4K6 FDA SRS
    272451-65-7 ACToR
    16274250 PubChem: Thomson Pharma
    26755437 eMolecules
    ZINC000043065317 ZINC
    CB21476013 ChemicalBook
    SCHEMBL27362 SureChEMBL
    CHEMBL563789 ChEMBL
    38798 ChEBI
    50488569 BindingDB
    DTXSID4047672 EPA CompTox Dashboard
    HATLEX CCDC
    J2.180.104F Nikkaji
    HMDB0252325 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.