Dataset

Mesosulfuron-methyl; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095848 contains the MS2 mass spectrum of Mesosulfuron-methyl with the InChIkey NIFKBBMCXCMCAO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)
SMILES COC(=O)c1ccc(CN[S](C)(=O)=O)cc1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2
InChI Key NIFKBBMCXCMCAO-UHFFFAOYSA-N
Molecular Formula C17H21N5O9S2
Exact Mass 503.078 g/mol

Data and Resources

Metadata Information

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DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095848
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MetadataPublished 2023-11-09
Related Molecule
  • methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11409499 PubChem
    22L00R79A6 FDA SRS
    SCHEMBL116828 SureChEMBL
    208465-21-8 ACToR
    16505190 PubChem: Thomson Pharma
    13732334 eMolecules
    ZINC000013831533 ZINC
    CHEMBL1883630 ChEMBL
    J1.945.808C Nikkaji
    DTXSID6034712 EPA CompTox Dashboard
    CB4374509 ChemicalBook
    The data in this table is sourced from UniChem at EBI.