Dataset

Clomazone; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF405601 contains the MS2 mass spectrum of Clomazone with the InChIkey KIEDNEWSYUYDSN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
SMILES CC1(C)CON(CC2=CC=CC=C2Cl)C1=O
InChI Key KIEDNEWSYUYDSN-UHFFFAOYSA-N
Molecular Formula C12H14ClNO2
Exact Mass 239.071 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-UF405601
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3751 chebi
    CHEMBL1076356 chembl
    23519 surechembl
    29355790 surechembl
    54778 pubchem
    570RAC03NF fdasrs
    PD064007 probes_and_drugs
    265155 brenda
    HMDB0250348 hmdb
    Molport-003-933-673 molport
    The data in this table is sourced from UniChem at EBI.