Dataset

Foramsulfuron; LC-ESI-QTOF; MS2; 130 V

This MassBank record with Accession MSBNK-BAFG-CSL23111019109 contains the MS2 mass spectrum of Foramsulfuron with the InChIkey PXDNXJSDGQBLKS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)
SMILES CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI Key PXDNXJSDGQBLKS-UHFFFAOYSA-N
Molecular Formula C17H20N6O7S
Exact Mass 452.111 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111019109
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MetadataPublished 2023-11-10
Related Molecule
  • 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-formamido-N,N-dimethylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1243071 ChEMBL
    J2.040.009I Nikkaji
    83502 ChEBI
    DTXSID7034753 EPA CompTox Dashboard
    4XJD212JQB FDA SRS
    50326179 BindingDB
    206231 Brenda
    ZINC000013831531 ZINC
    11419598 PubChem
    16516187 PubChem: Thomson Pharma
    SCHEMBL116874 SureChEMBL
    173159-57-4 ACToR
    499220 eMolecules
    The data in this table is sourced from UniChem at EBI.