Spectrum Details
MiMe ID:MMDBc0057247
Compound name:Chenodeoxycholylaspartic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-0a4i-0003890000-bb4a37c0e07d3d9af4ef
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C28H45NO7
Molecular Weight (Monoisotopic Mass):507.3196 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.24 KB
Peak assignments (TSV)Download file5.71 KB
mzML formatted file (MZML)Download file5.67 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 ]