Dataset

Amidosulfuron; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU255604 contains the MS2 mass spectrum of Amidosulfuron with the InChIkey CTTHWASMBLQOFR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
SMILES COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)=N1
InChI Key CTTHWASMBLQOFR-UHFFFAOYSA-N
Molecular Formula C9H15N5O7S2
Exact Mass 369.041 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-Athens_Univ-AU255604
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Maintainer
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MetadataPublished 2019-05-29
Related Molecule
  • 1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:2635 chebi
    WRQ rcsb_pdb
    54922 surechembl
    91777 pubchem
    6ZNU868K0S fdasrs
    PD206864 probes_and_drugs
    WRQ pdbe
    DTXSID7057945 comptox
    Molport-005-937-116 molport
    The data in this table is sourced from UniChem at EBI.