Dataset

Triasulfuron; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00355407 contains the MS2 mass spectrum of Triasulfuron with the InChIkey XOPFESVZMSQIKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
SMILES CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl
InChI Key XOPFESVZMSQIKC-UHFFFAOYSA-N
Molecular Formula C14H16ClN5O5S
Exact Mass 401.056 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-EQ00355407
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MetadataPublished 2024-06-14
Related Molecule
  • 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:9673 chebi
    A1AUE rcsb_pdb
    CHEMBL1896787 chembl
    24021 surechembl
    28055544 surechembl
    29351449 surechembl
    30116863 surechembl
    73282 pubchem
    299LHF498M fdasrs
    151283 brenda
    A1AUE - Ideal conformer pdbe
    The data in this table is sourced from UniChem at EBI.