Spectrum Details
MiMe ID:MMDBc0057237
Compound name:Chenodeoxycholylglycine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-000t-1001900000-2bc798e522a0b6147a61
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C26H43NO5
Molecular Weight (Monoisotopic Mass):449.3141 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file628 Bytes
Peak assignments (TSV)Download file2.35 KB
mzML formatted file (MZML)Download file4.84 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 ]