Dataset

Bensulfuron-methyl; ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V

This MassBank record with Accession MSBNK-MSSJ-MSJ00237 contains the MS2 mass spectrum of Bensulfuron-methyl with the InChIkey XMQFTWRPUQYINF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
SMILES COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC
InChI Key XMQFTWRPUQYINF-UHFFFAOYSA-N
Molecular Formula C16H18N4O7S
Exact Mass 410.090 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-MSSJ-MSJ00237
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MetadataPublished 2020-03-16
Related Molecule
  • methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.