Spectrum Details
MiMe ID:MMDBc0029969
Compound name:2-(S-Glutathionyl)acetyl glutathione
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-05fr-1102692000-d88e8eabef02fc150551
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C22H34N6O13S2
Molecular Weight (Monoisotopic Mass):654.1625 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.37 KB
Peak assignments (TSV)Download file6.22 KB
mzML formatted file (MZML)Download file5.86 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 ]