Dataset

Fipronil; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL23111018983 contains the MS2 mass spectrum of Fipronil with the InChIkey ZOCSXAVNDGMNBV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
SMILES C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
InChI Key ZOCSXAVNDGMNBV-UHFFFAOYSA-N
Molecular Formula C12H4Cl2F6N4OS
Exact Mass 435.939 g/mol

Data and Resources

Metadata Information

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DOI
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Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111018983
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MetadataPublished 2023-11-10
Related Molecule
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    FIPRONIL rxnorm
    HY-B0822 MedChemExpress
    QGH063955F FDA SRS
    DTXSID4034609 EPA CompTox Dashboard
    J562.376F Nikkaji
    HMDB0252265 Human Metabolome Database
    50106148 BindingDB
    C11099 KEGG Ligand
    CHEMBL101326 ChEMBL
    3352 PubChem
    70115492 NMRShiftDB
    PD000917 ProbesDrugs
    14807877 PubChem: Thomson Pharma
    LSM-1608 LINCS
    120068-37-3 ACToR
    83394 ChEBI
    511400 eMolecules
    SCHEMBL15088 SureChEMBL
    143837 Brenda
    CB7461570 ChemicalBook
    The data in this table is sourced from UniChem at EBI.