Dataset

Clomazone

This MassBank record with Accession MSBNK-Athens_Univ-AU254806 contains the MS2 mass spectrum of Clomazone with the InChIkey KIEDNEWSYUYDSN-UHFFFAOYSA-N.

Chemical Info

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-Athens_Univ-AU254806
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:46.047981
MetadataModified 2025-02-08T19:11:34.544673
MetadataPublished 2019-05-29
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.