Spectrum Details
FooDB ID:FDB000534
Compound name:S-Methylcysteine sulfoxide
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-03di-9000000000-6db85bfed0c07b4e9e8d
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C4H9NO3S
Molecular Weight (Monoisotopic Mass):151.0303 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file110 Bytes
Peak assignments (TSV)Download file177 Bytes
mzML formatted file (MZML)Download file4.15 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]