Dataset

Diuron-desmonomethyl; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU400105 contains the MS2 mass spectrum of Diuron-desmonomethyl with the InChIkey IDQHRQQSSQDLTR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
SMILES CNC(=O)NC1=CC(Cl)=C(Cl)C=C1
InChI Key IDQHRQQSSQDLTR-UHFFFAOYSA-N
Molecular Formula C8H8Cl2N2O
Exact Mass 218.001 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-Athens_Univ-AU400105
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MetadataPublished 2015-12-09
Related Molecule
  • 1-(3,4-dichlorophenyl)-3-methylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19113 PubChem
    MCULE-1445161593 Mcule
    83466 ChEBI
    J124.916I Nikkaji
    83466 Rhea
    DTXSID3042180 EPA CompTox Dashboard
    252482 Brenda
    HMDB0255108 Human Metabolome Database
    CHEMBL3181859 ChEMBL
    ZINC000000396195 ZINC
    3567-62-2 ACToR
    1105715 eMolecules
    Z19W74Z2N4 FDA SRS
    87237349 PubChem: Thomson Pharma
    SCHEMBL2893642 SureChEMBL
    MTBLC83466 Metabolights
    The data in this table is sourced from UniChem at EBI.