Dataset

Monuron

This MassBank record with Accession MSBNK-Eawag-EQ00016154 contains the MS2 mass spectrum of Monuron with the InChIkey BMLIZLVNXIYGCK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
SMILES CN(C)C(=O)NC1=CC=C(Cl)C=C1
InChI Key BMLIZLVNXIYGCK-UHFFFAOYSA-N
Molecular Formula C9H11ClN2O
Exact Mass 198.056 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-EQ00016154
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:02:21.337250
MetadataModified 2025-02-09T10:02:21.500006
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3990109216 Mcule
15195496 PubChem: Thomson Pharma
SCHEMBL106717 SureChEMBL
150-68-5 ACToR
I99GAK5X1D FDA SRS
8800 PubChem
498359 eMolecules
252433 Brenda
DTXSID0020311 EPA CompTox Dashboard
J2.553D Nikkaji
38214 Rhea
HMDB0254876 Human Metabolome Database
ZINC000000161800 ZINC
CPHMUR CCDC
CB4706609 ChemicalBook
38214 ChEBI
CHEMBL467623 ChEMBL
C19087 KEGG Ligand
The data in this table is sourced from UniChem at EBI.