Spectrum Details
MiMe ID:MMDBc0057232
Compound name:Cholylglutamine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-001j-9712000000-1c030cdbb9b40f689e5c
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C29H48N2O7
Molecular Weight (Monoisotopic Mass):536.3462 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file969 Bytes
Peak assignments (TSV)Download file3.36 KB
mzML formatted file (MZML)Download file5.32 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 ]