Dataset

Metobromuron

This MassBank record with Accession MSBNK-Eawag-EQ01138301 contains the MS2 mass spectrum of Metobromuron with the InChIkey WLFDQEVORAMCIM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
SMILES CN(C(=O)NC1=CC=C(C=C1)Br)OC
InChI Key WLFDQEVORAMCIM-UHFFFAOYSA-N
Molecular Formula C9H11BrN2O2
Exact Mass 258.000 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-EQ01138301
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:09:19.924300
MetadataModified 2025-02-09T10:05:10.319432
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2324543938 Mcule
SCHEMBL53871 SureChEMBL
CB9321513 ChemicalBook
500911 eMolecules
18290 PubChem
16181526 PubChem: Thomson Pharma
3060-89-7 ACToR
4251089P3L FDA SRS
CHEMBL1356637 ChEMBL
DTXSID6042157 EPA CompTox Dashboard
ZINC000000260866 ZINC
81964 ChEBI
DUPNUZ CCDC
J7.673B Nikkaji
C18793 KEGG Ligand
The data in this table is sourced from UniChem at EBI.