Dataset

Diuron-desdimethyl

This MassBank record with Accession MSBNK-Athens_Univ-AU400305 contains the MS2 mass spectrum of Diuron-desdimethyl with the InChIkey CYESCLHCWJKRKM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
SMILES NC(=O)NC1=CC(Cl)=C(Cl)C=C1
InChI Key CYESCLHCWJKRKM-UHFFFAOYSA-N
Molecular Formula C7H6Cl2N2O
Exact Mass 203.986 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-Athens_Univ-AU400305
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:58.776374
MetadataModified 2024-01-11T09:42:58.941433
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
58105184 PubChem: Thomson Pharma
SCHEMBL112841 SureChEMBL
2327-02-8 ACToR
1062584 eMolecules
HMDB0243790 Human Metabolome Database
J124.917G Nikkaji
ZINC000000397310 ZINC
DTXSID2041468 EPA CompTox Dashboard
CHEMBL3182746 ChEMBL
83464 ChEBI
CB9248337 ChemicalBook
MTBLC83464 Metabolights
16854 PubChem
MCULE-8356846621 Mcule
The data in this table is sourced from UniChem at EBI.