Dataset

Halosulfuron-Methyl; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01126758 contains the MS2 mass spectrum of Halosulfuron-Methyl with the InChIkey FMGZEUWROYGLAY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)
SMILES CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI Key FMGZEUWROYGLAY-UHFFFAOYSA-N
Molecular Formula C13H15ClN6O7S
Exact Mass 434.041 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-EQ01126758
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91763 PubChem
    CHEMBL2140532 ChEMBL
    15777856 PubChem: Thomson Pharma
    100784-20-1 ACToR
    PD158970 ProbesDrugs
    W1CP17GD87 FDA SRS
    2733156 eMolecules
    SCHEMBL55094 SureChEMBL
    HMDB0034859 Human Metabolome Database
    ZINC000002381596 ZINC
    J640.666A Nikkaji
    81750 ChEBI
    DTXSID9034650 EPA CompTox Dashboard
    CB0161549 ChemicalBook
    C18442 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.