Dataset

Nicosulfuron; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111019118 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 CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI Key RTCOGUMHFFWOJV-UHFFFAOYSA-N
Molecular Formula C15H18N6O6S
Exact Mass 410.101 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111019118
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MetadataPublished 2023-11-10
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
    C10949 KEGG Ligand
    DODHIQ CCDC
    7554 ChEBI
    J429.827F Nikkaji
    HY-B1876 MedChemExpress
    ZINC000001532072 ZINC
    DTXSID6034764 EPA CompTox Dashboard
    151285 Brenda
    CB11873268 ChemicalBook
    CB3198674 ChemicalBook
    CHEMBL2251450 ChEMBL
    73281 PubChem
    51380907 PubChem
    14757622 PubChem: Thomson Pharma
    CG297D9264 FDA SRS
    SCHEMBL22938 SureChEMBL
    111991-09-4 ACToR
    PD158010 ProbesDrugs
    2725321 eMolecules
    The data in this table is sourced from UniChem at EBI.