Dataset

Tribenuron-methyl; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00349852 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-EQ00349852
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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
    DB03656 drugbank
    CHEBI:9678 chebi
    1TB rcsb_pdb
    CHEMBL1229780 chembl
    29400377 surechembl
    30438049 surechembl
    54532 surechembl
    153909 pubchem
    D0493A985P fdasrs
    1TB - Ideal conformer pdbe
    PD016314 probes_and_drugs
    18941 brenda
    247197 brenda
    Molport-000-491-340 molport
    50424586 bindingdb
    The data in this table is sourced from UniChem at EBI.