Spectrum Details
MiMe ID:MMDBc0057245
Compound name:Chenodeoxycholyllysine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-014i-2200090000-4d2a5ec0e748a2f5f729
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:C30H52N2O5
Molecular Weight (Monoisotopic Mass):520.3876 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file610 Bytes
Peak assignments (TSV)Download file2.43 KB
mzML formatted file (MZML)Download file4.82 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 ]