Dataset

Nicosulfuron; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU253203 contains the MS2 mass spectrum of Nicosulfuron with the InChIkey RTCOGUMHFFWOJV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)
SMILES COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1
InChI Key RTCOGUMHFFWOJV-UHFFFAOYSA-N
Molecular Formula C15H18N6O6S
Exact Mass 410.101 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-AU253203
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MetadataPublished 2019-05-29
Related Molecule
  • 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:7554 chebi
    CHEMBL2251450 chembl
    22938 surechembl
    29440408 surechembl
    51380907 pubchem
    73281 pubchem
    PD158010 probes_and_drugs
    DODHIQ CCDC
    151285 brenda
    CG297D9264 fdasrs
    Molport-005-933-922 molport
    The data in this table is sourced from UniChem at EBI.