Dataset

Fipronil-TP RPA 200761; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ418157 contains the MS2 mass spectrum of Fipronil-TP RPA 200761 with the InChIkey OHWPIAZSHNMBAC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H5Cl2F6N3O3S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)27(26)12(18,19)20/h1-2H,21H2,(H,24,25)
SMILES NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C(O)=O)S(=O)C(F)(F)F
InChI Key OHWPIAZSHNMBAC-UHFFFAOYSA-N
Molecular Formula C12H5Cl2F6N3O3S
Exact Mass 454.933 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-EQ418157
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MetadataPublished 2019-12-03
Related Molecule
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18393472 surechembl
    23079075 pubchem
    The data in this table is sourced from UniChem at EBI.