Dataset

Linuron; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00016053 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)NC1=CC=C(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 https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00016053
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MetadataPublished 2024-06-14
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
    9502 PubChem
    16886343 PubChem: Thomson Pharma
    330-55-2 ACToR
    01XP1SU59O FDA SRS
    SCHEMBL56566 SureChEMBL
    PD163992 ProbesDrugs
    ZINC000000900693 ZINC
    93942 Brenda
    48578 Brenda
    MCULE-3556686443 Mcule
    20206279 NMRShiftDB
    CHEMBL448213 ChEMBL
    C11007 KEGG Ligand
    HY-B1866 MedChemExpress
    DTXSID2024163 EPA CompTox Dashboard
    WAMXUD CCDC
    6482 ChEBI
    HMDB0254109 Human Metabolome Database
    J3.277H Nikkaji
    3717752 eMolecules
    CB2749714 ChemicalBook
    The data in this table is sourced from UniChem at EBI.