Spectrum Details
MiMe ID:MMDBc0030092
Compound name:S-(Formylmethyl)glutathione
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-006x-8900000000-1d7b2d35cf7231763801
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:Negative
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C12H19N3O7S
Molecular Weight (Monoisotopic Mass):349.0944 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file683 Bytes
Peak assignments (TSV)Download file1.42 KB
mzML formatted file (MZML)Download file4.91 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 ]