Dataset

Penoxsulam; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00410252 contains the MS2 mass spectrum of Penoxsulam with the InChIkey SYJGKVOENHZYMQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
SMILES COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC
InChI Key SYJGKVOENHZYMQ-UHFFFAOYSA-N
Molecular Formula C16H14F5N5O5S
Exact Mass 483.064 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-EQ00410252
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81776 chebi
    PXD rcsb_pdb
    CHEMBL1895913 chembl
    116968 surechembl
    11784975 pubchem
    784ELC1SCZ fdasrs
    NEFTUQ CCDC
    247200 brenda
    PXD - Ideal conformer pdbe
    HMDB0256242 hmdb
    Molport-028-744-758 molport
    The data in this table is sourced from UniChem at EBI.