Dataset

Linuron; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA016006 contains the MS2 mass spectrum of Linuron with the InChIkey XKJMBINCVNINCA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
SMILES c1(cc(c(Cl)cc1)Cl)NC(N(OC)C)=O
InChI Key XKJMBINCVNINCA-UHFFFAOYSA-N
Molecular Formula C9H10Cl2N2O2
Exact Mass 248.011 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-EA016006
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Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6482 chebi
    CHEMBL448213 chembl
    27260336 surechembl
    56566 surechembl
    9502 pubchem
    01XP1SU59O fdasrs
    PD163992 probes_and_drugs
    WAMXUD CCDC
    48578 brenda
    93942 brenda
    HMDB0254109 hmdb
    The data in this table is sourced from UniChem at EBI.