Dataset

Triasulfuron; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00355403 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-EQ00355403
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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
    SCHEMBL24021 SureChEMBL
    73282 PubChem
    56361626 PubChem: Thomson Pharma
    82097-50-5 ACToR
    135100-29-7 ACToR
    299LHF498M FDA SRS
    498495 eMolecules
    J407.003H Nikkaji
    9673 ChEBI
    ZINC000001532080 ZINC
    DTXSID0024345 EPA CompTox Dashboard
    151283 Brenda
    CB3324532 ChemicalBook
    C10961 KEGG Ligand
    CHEMBL1896787 ChEMBL
    The data in this table is sourced from UniChem at EBI.