Spectrum Details
MiMe ID:MMDBc0057250
Compound name:Chenodeoxycholylglutamic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-000i-9655000000-b5741f545c62b890977c
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:C29H47NO7
Molecular Weight (Monoisotopic Mass):521.3353 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file991 Bytes
Peak assignments (TSV)Download file3.08 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 ]