Spectrum Details
MiMe ID:MMDBc0057235
Compound name:Chenodeoxycholylalanine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-9006200000-2e7a87885c3dc5e5e38f
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:C27H45NO5
Molecular Weight (Monoisotopic Mass):463.3298 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file954 Bytes
Peak assignments (TSV)Download file3.33 KB
mzML formatted file (MZML)Download file5.28 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 ]