Dataset

Lufenuron; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00330307 contains the MS2 mass spectrum of Lufenuron with the InChIkey PWPJGUXAGUPAHP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
SMILES FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl
InChI Key PWPJGUXAGUPAHP-UHFFFAOYSA-N
Molecular Formula C17H8Cl2F8N2O3
Exact Mass 509.978 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-EQ00330307
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD000916 ProbesDrugs
    LSM-21613 LINCS
    14811335 PubChem: Thomson Pharma
    SCHEMBL27105 SureChEMBL
    103055-07-8 ACToR
    71777 PubChem
    CB6229074 ChemicalBook
    39384 ChEBI
    CHEMBL1364906 ChEMBL
    C18434 KEGG Ligand
    DTXSID5034357 EPA CompTox Dashboard
    1R754M4918 FDA SRS
    9CR45YMS74 FDA SRS
    4629851K7Q FDA SRS
    HY-115584 MedChemExpress
    LUFENURON rxnorm
    HMDB0254195 Human Metabolome Database
    J481.190I Nikkaji
    510889 eMolecules
    DB11424 DrugBank
    The data in this table is sourced from UniChem at EBI.