Dataset

Lufenuron; LC-ESI-ITFT; MS2; HCD 15; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ETS00125 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 C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F
InChI Key PWPJGUXAGUPAHP-UHFFFAOYSA-N
Molecular Formula C17H8Cl2F8N2O3
Exact Mass 403.850 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ETS00125
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MetadataPublished 2016-02-03
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11424 drugbank
    CHEBI:39384 chebi
    CHEMBL1364906 chembl
    27105 surechembl
    29350147 surechembl
    71777 pubchem
    1R754M4918 fdasrs
    4629851K7Q fdasrs
    9CR45YMS74 fdasrs
    PD000916 probes_and_drugs
    HMDB0254195 hmdb
    DTXSID5034357 comptox
    Molport-003-666-645 molport
    5569 drugcentral
    The data in this table is sourced from UniChem at EBI.