Spectrum Details
MiMe ID:MMDBc0057223
Compound name:Cholylasparagine
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0udr-0100890000-5285a0b817250d8e4187
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C28H46N2O7
Molecular Weight (Monoisotopic Mass):522.3305 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file492 Bytes
Peak assignments (TSV)Download file2.28 KB
mzML formatted file (MZML)Download file4.64 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 ]