Dataset

Linuron; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL2311106963 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 CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChI Key XKJMBINCVNINCA-UHFFFAOYSA-N
Molecular Formula C9H10Cl2N2O2
Exact Mass 248.012 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311106963
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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
    DTXSID2024163 comptox
    The data in this table is sourced from UniChem at EBI.