Dataset

Linuron

This MassBank record with Accession MSBNK-Eawag-EQ00016006 contains the MS2 mass spectrum of Linuron with the InChIkey XKJMBINCVNINCA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
SMILES CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1
InChI Key XKJMBINCVNINCA-UHFFFAOYSA-N
Molecular Formula C9H10Cl2N2O2
Exact Mass 248.012 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-EQ00016006
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:58:47.940221
MetadataModified 2025-02-09T09:58:48.152037
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
9502 PubChem
16886343 PubChem: Thomson Pharma
330-55-2 ACToR
01XP1SU59O FDA SRS
SCHEMBL56566 SureChEMBL
PD163992 ProbesDrugs
ZINC000000900693 ZINC
93942 Brenda
48578 Brenda
MCULE-3556686443 Mcule
20206279 NMRShiftDB
CHEMBL448213 ChEMBL
C11007 KEGG Ligand
HY-B1866 MedChemExpress
DTXSID2024163 EPA CompTox Dashboard
WAMXUD CCDC
6482 ChEBI
HMDB0254109 Human Metabolome Database
J3.277H Nikkaji
3717752 eMolecules
CB2749714 ChemicalBook
The data in this table is sourced from UniChem at EBI.