Dataset

Clomazone; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00013906 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=C(Cl)C=CC=C2)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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00013906
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
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
    CHEMBL1076356 ChEMBL
    C11095 KEGG Ligand
    CB2753003 ChemicalBook
    HY-W040194 MedChemExpress
    DTXSID1032355 EPA CompTox Dashboard
    3751 ChEBI
    HMDB0250348 Human Metabolome Database
    J134.068I Nikkaji
    54778 PubChem
    PD064007 ProbesDrugs
    570RAC03NF FDA SRS
    81777-89-1 ACToR
    15196399 PubChem: Thomson Pharma
    510933 eMolecules
    SCHEMBL23519 SureChEMBL
    ZINC000000900785 ZINC
    The data in this table is sourced from UniChem at EBI.