Dataset

Flufenoxuron; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU233457 contains the MS2 mass spectrum of Flufenoxuron with the InChIkey RYLHNOVXKPXDIP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)
SMILES FC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1NC(=O)NC(=O)C1=C(F)C=CC=C1F
InChI Key RYLHNOVXKPXDIP-UHFFFAOYSA-N
Molecular Formula C21H11ClF6N2O3
Exact Mass 488.036 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU233457
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MetadataPublished 2019-03-28
Related Molecule
  • N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    39382 ChEBI
    C18430 KEGG Ligand
    CORZEQ CCDC
    HMDB0252332 Human Metabolome Database
    J228.145G Nikkaji
    HY-B2009 MedChemExpress
    CB1151543 ChemicalBook
    DB15006 DrugBank
    DTXSID1041978 EPA CompTox Dashboard
    91766 PubChem
    14859426 PubChem: Thomson Pharma
    101463-69-8 ACToR
    PD122074 ProbesDrugs
    OD068OSS0N FDA SRS
    510802 eMolecules
    CHEMBL2287680 ChEMBL
    SCHEMBL27798 SureChEMBL
    20209856 NMRShiftDB
    ZINC000002564891 ZINC
    The data in this table is sourced from UniChem at EBI.