Dataset

Diuron

This MassBank record with Accession MSBNK-Waters-WA002758 contains the MS mass spectrum of Diuron with the InChIkey XMTQQYYKAHVGBJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
SMILES CN(C)C(=O)Nc(c1)cc(Cl)c(Cl)c1
InChI Key XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Molecular Formula C9H10Cl2N2O
Exact Mass 232.017 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002758
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:13.329492
MetadataModified 2024-01-11T22:50:13.506235
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1921281405 Mcule
3120 PubChem
27677901 eMolecules
509776 eMolecules
139214 Brenda
29457 Brenda
107569 Brenda
20249 Brenda
89444 Brenda
122924 Brenda
CB4163723 ChemicalBook
330-54-1 ACToR
102962-29-8 ACToR
SCHEMBL7279 SureChEMBL
W9M PDBe
LSM-25609 LINCS
9I3SDS92WY FDA SRS
147772 Brenda
PD001936 ProbesDrugs
15114694 PubChem: Thomson Pharma
CHEMBL278489 ChEMBL
C18428 KEGG Ligand
116509 ChEBI
DTXSID0020446 EPA CompTox Dashboard
CLPHUR CCDC
HMDB0251497 Human Metabolome Database
ZINC000000057287 ZINC
HY-B0860 MedChemExpress
J30.227I Nikkaji
50487027 BindingDB
116509 Rhea
The data in this table is sourced from UniChem at EBI.