Spectrum Details
MiMe ID:MMDBc0029968
Compound name:2-(S-Glutathionyl)acetyl chloride
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-001s-2933000000-56c257ec3a56dc94ada0
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:C12H18ClN3O7S
Molecular Weight (Monoisotopic Mass):383.0554 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file712 Bytes
Peak assignments (TSV)Download file1.91 KB
mzML formatted file (MZML)Download file4.97 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 ]