Predicted LC-MS/MS Spectrum - 10V, Negative (MMDBc0029968)

Spectrum Details
MiMe ID:MMDBc0029968
Compound name:2-(S-Glutathionyl)acetyl chloride
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-05fr-0192000000-187c7a023576f60034e0
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100020406080100120140160180200220240260280300320340360380
020406080100120140160180200220240260280300320340360380
m/z
Experimental Conditions
Ionization Mode:Negative
Collision Energy:10 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 file428 Bytes
Peak assignments (TSV)Download file1.2 KB
mzML formatted file (MZML)Download file4.58 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 ]