Dataset

Monuron; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA016114 contains the MS2 mass spectrum of Monuron with the InChIkey BMLIZLVNXIYGCK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
SMILES C(N(C)C)(Nc1ccc(Cl)cc1)=O
InChI Key BMLIZLVNXIYGCK-UHFFFAOYSA-N
Molecular Formula C9H11ClN2O
Exact Mass 198.055 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-EA016114
Version
Author
Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • 3-(4-chlorophenyl)-1,1-dimethylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38214 chebi
    CHEMBL467623 chembl
    106717 surechembl
    8800 pubchem
    I99GAK5X1D fdasrs
    PD199959 probes_and_drugs
    CPHMUR CCDC
    252433 brenda
    HMDB0254876 hmdb
    DTXSID0020311 comptox
    The data in this table is sourced from UniChem at EBI.