Dataset

Tribenuron-methyl

This MassBank record with Accession MSBNK-Eawag-EQ00349801 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

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00349801
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:57:12.820915
MetadataModified	2025-02-09T09:57:12.996881
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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