Dataset

Diuron-desmonomethyl

This MassBank record with Accession MSBNK-Athens_Univ-AU400103 contains the MS2 mass spectrum of Diuron-desmonomethyl with the InChIkey IDQHRQQSSQDLTR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
SMILES CNC(=O)NC1=CC(Cl)=C(Cl)C=C1
InChI Key IDQHRQQSSQDLTR-UHFFFAOYSA-N
Molecular Formula C8H8Cl2N2O
Exact Mass 218.001 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-AU400103
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:10:28.765812
MetadataModified 2025-02-08T18:57:43.345263
MetadataPublished 2015-12-09
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
19113 PubChem
MCULE-1445161593 Mcule
83466 ChEBI
J124.916I Nikkaji
83466 Rhea
DTXSID3042180 EPA CompTox Dashboard
252482 Brenda
HMDB0255108 Human Metabolome Database
CHEMBL3181859 ChEMBL
ZINC000000396195 ZINC
3567-62-2 ACToR
1105715 eMolecules
Z19W74Z2N4 FDA SRS
87237349 PubChem: Thomson Pharma
SCHEMBL2893642 SureChEMBL
MTBLC83466 Metabolights
The data in this table is sourced from UniChem at EBI.