Spectrum Details
FooDB ID:FDB003685
Compound name:S-Allylmercaptocysteine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-022c-9000000000-f47f398ed4b7f5a88204
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:C6H11NO2S2
Molecular Weight (Monoisotopic Mass):193.0231 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file143 Bytes
Peak assignments (TSV)Download file227 Bytes
mzML formatted file (MZML)Download file4.19 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 ]