Dataset

Modafinil sulfone; LC-ESI-Q; MS; POS; 60 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA002966 contains the MS mass spectrum of Modafinil sulfone with the InChIkey ZESNOWZYHYRSRY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
SMILES NC(=O)CS(=O)(=O)C(c(c2)cccc2)c(c1)cccc1
InChI Key ZESNOWZYHYRSRY-UHFFFAOYSA-N
Molecular Formula C15H15NO3S
Exact Mass 289.077 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002966
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MetadataPublished 2016-01-19
Related Molecule
  • 2-benzhydrylsulfonylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3559661 chembl
    1537325 surechembl
    6460146 pubchem
    946LME1J4S fdasrs
    HMDB0254821 hmdb
    DTXSID10424213 comptox
    Molport-002-128-194 molport
    The data in this table is sourced from UniChem at EBI.