Dataset

Diuron; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF400452 contains the MS2 mass spectrum of Diuron with the InChIkey XMTQQYYKAHVGBJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
SMILES CN(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1
InChI Key XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Molecular Formula C9H10Cl2N2O
Exact Mass 232.017 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-UFZ-UF400452
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 3-(3,4-dichlorophenyl)-1,1-dimethylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:116509 chebi
    W9M rcsb_pdb
    CHEMBL278489 chembl
    29349863 surechembl
    7279 surechembl
    3120 pubchem
    9I3SDS92WY fdasrs
    PD001936 probes_and_drugs
    CLPHUR CCDC
    107569 brenda
    122924 brenda
    139214 brenda
    147772 brenda
    20249 brenda
    29457 brenda
    89444 brenda
    HMDB0251497 hmdb
    51184209 bindingdb
    51188219 bindingdb
    Molport-001-837-578 molport
    The data in this table is sourced from UniChem at EBI.