Dataset

Metoxuron

This MassBank record with Accession MSBNK-AGILENT-AG000057 contains the MS2 mass spectrum of Metoxuron with the InChIkey DSRNRYQBBJQVCW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
SMILES COC1C=CC(=CC=1Cl)NC(=O)N(C)C
InChI Key DSRNRYQBBJQVCW-UHFFFAOYSA-N
Molecular Formula C10H13ClN2O2
Exact Mass 228.067 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000057
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:04.658702
MetadataModified 2024-01-11T09:29:04.822386
MetadataPublished 2023-02-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C11011 KEGG Ligand
500917 eMolecules
ZINC000000900697 ZINC
DTXSID1042158 EPA CompTox Dashboard
6907 ChEBI
6907 Rhea
14749286 PubChem: Thomson Pharma
29863 PubChem
19937-59-8 ACToR
SCHEMBL63260 SureChEMBL
Y58EM37E76 FDA SRS
CB9770890 ChemicalBook
252432 Brenda
J2.754E Nikkaji
The data in this table is sourced from UniChem at EBI.