Dataset

Tribenuron-methyl

This MassBank record with Accession MSBNK-Eawag-EQ00349853 contains the MS2 mass spectrum of Tribenuron-methyl with the InChIkey VLCQZHSMCYCDJL-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
SMILES	CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
InChI Key	VLCQZHSMCYCDJL-UHFFFAOYSA-N
Molecular Formula	C15H17N5O6S
Exact Mass	395.090 g/mol

Data and Resources

Tribenuron-methylHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00349853
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:55:33.182677
MetadataModified	2025-02-09T09:55:33.333471
MetadataPublished	2024-06-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1TB	PDBe
CHEMBL1229780	ChEMBL
C10962	KEGG Ligand
247197	Brenda
50424586	BindingDB
DB03656	DrugBank
J407.004F	Nikkaji
DTXSID8024101	EPA CompTox Dashboard
56439047	PubChem: Thomson Pharma
153909	PubChem
101200-48-0	ACToR
9678	ChEBI
D0493A985P	FDA SRS
PD016314	ProbesDrugs
510696	eMolecules
18941	Brenda
CB5209758	ChemicalBook
ZINC000000900618	ZINC
MCULE-3666428067	Mcule
SCHEMBL54532	SureChEMBL
The data in this table is sourced from UniChem at EBI.