Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00355452 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-EQ00355452
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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 pdbe
    DTXSID0024345 comptox
    The data in this table is sourced from UniChem at EBI.