Dataset

Tribenuron-methyl; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00349805 contains the MS2 mass spectrum of Tribenuron-methyl with the InChIkey VLCQZHSMCYCDJL-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00349805
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MetadataPublished 2024-06-14
Related Molecule
  • methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
    • 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.