Dataset

Metoxuron; ESI-QTOF; MS2; CE: 10; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000056 contains the MS2 mass spectrum of Metoxuron with the InChIkey DSRNRYQBBJQVCW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
SMILES COC1C=CC(=CC=1Cl)NC(=O)N(C)C
InChI Key DSRNRYQBBJQVCW-UHFFFAOYSA-N
Molecular Formula C10H13ClN2O2
Exact Mass 228.067 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-AGILENT-AG000056
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MetadataPublished 2023-02-17
Related Molecule
  • 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C11011 KEGG Ligand
    J2.754E Nikkaji
    252432 Brenda
    6907 Rhea
    6907 ChEBI
    DTXSID1042158 EPA CompTox Dashboard
    14749286 PubChem: Thomson Pharma
    29863 PubChem
    19937-59-8 ACToR
    SCHEMBL63260 SureChEMBL
    Y58EM37E76 FDA SRS
    CB9770890 ChemicalBook
    500917 eMolecules
    ZINC000000900697 ZINC
    The data in this table is sourced from UniChem at EBI.