Spectrum Details
MiMe ID:MMDBc0057248
Compound name:Chenodeoxycholylmethionine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0002-9000030000-e1fcec38d59b52b3437b
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C29H49NO5S
Molecular Weight (Monoisotopic Mass):523.3331 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file191 Bytes
Peak assignments (TSV)Download file770 Bytes
mzML formatted file (MZML)Download file4.27 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 ]