Dataset

Oxasulfuron; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00349005 contains the MS2 mass spectrum of Oxasulfuron with the InChIkey IOXAXYHXMLCCJJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)
SMILES CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C
InChI Key IOXAXYHXMLCCJJ-UHFFFAOYSA-N
Molecular Formula C17H18N4O6S
Exact Mass 406.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00349005
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1903152 chembl
    29374284 surechembl
    66884 surechembl
    86443 pubchem
    698F069J44 fdasrs
    The data in this table is sourced from UniChem at EBI.