Dataset

Chlorotoluron; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF400703 contains the MS2 mass spectrum of Chlorotoluron with the InChIkey JXCGFZXSOMJFOA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
SMILES CN(C)C(=O)NC1=CC(Cl)=C(C)C=C1
InChI Key JXCGFZXSOMJFOA-UHFFFAOYSA-N
Molecular Formula C10H13ClN2O
Exact Mass 212.072 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-UF400703
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81981 chebi
    CHEMBL1900581 chembl
    29467785 surechembl
    64782 surechembl
    27375 pubchem
    SUW8L8G38A fdasrs
    PD077262 probes_and_drugs
    WOGZUN CCDC
    9527 brenda
    Molport-001-797-535 molport
    The data in this table is sourced from UniChem at EBI.