Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU262105 contains the MS2 mass spectrum of Metobromuron with the InChIkey WLFDQEVORAMCIM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
SMILES CON(C)C(=O)NC1=CC=C(Br)C=C1
InChI Key WLFDQEVORAMCIM-UHFFFAOYSA-N
Molecular Formula C9H11BrN2O2
Exact Mass 258.000 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-Athens_Univ-AU262105
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MetadataPublished 2019-05-30
Related Molecule
  • 3-(4-bromophenyl)-1-methoxy-1-methylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-2324543938 Mcule
    SCHEMBL53871 SureChEMBL
    CB9321513 ChemicalBook
    500911 eMolecules
    18290 PubChem
    16181526 PubChem: Thomson Pharma
    3060-89-7 ACToR
    4251089P3L FDA SRS
    CHEMBL1356637 ChEMBL
    DTXSID6042157 EPA CompTox Dashboard
    ZINC000000260866 ZINC
    81964 ChEBI
    DUPNUZ CCDC
    J7.673B Nikkaji
    C18793 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.