Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00349207 contains the MS2 mass spectrum of Prosulfuron with the InChIkey LTUNNEGNEKBSEH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)
SMILES COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=C(CCC(F)(F)F)C=CC=C2)=N1
InChI Key LTUNNEGNEKBSEH-UHFFFAOYSA-N
Molecular Formula C15H16F3N5O4S
Exact Mass 419.088 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-EQ00349207
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MetadataPublished 2024-06-14
Related Molecule
  • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8523 chebi
    CHEMBL2251587 chembl
    29440211 surechembl
    30298017 surechembl
    56036 surechembl
    91751 pubchem
    NG7LE47J14 fdasrs
    QUTKAU CCDC
    206234 brenda
    Molport-005-937-112 molport
    The data in this table is sourced from UniChem at EBI.