Dataset

Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ348751 contains the MS2 mass spectrum of Iodosulfuron-methyl with the InChIkey VWGAYSCWLXQJBQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H14IN5O6S/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2/h4-6H,1-3H3,(H2,16,17,18,19,20,22)
SMILES Cc2nc(NC(=O)NS(=O)(=O)c1cc(I)ccc1C(=O)OC)nc(OC)n2
InChI Key VWGAYSCWLXQJBQ-UHFFFAOYSA-N
Molecular Formula C14H14IN5O6S
Exact Mass 506.971 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ348751
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Maintainer
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MetadataPublished 2015-08-26
Related Molecule
  • methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3580410 chembl
    29508665 surechembl
    31392854 surechembl
    733383 surechembl
    11027582 pubchem
    DTXSID101020557 comptox
    The data in this table is sourced from UniChem at EBI.