Spectrum Details
MiMe ID:MMDBc0057255
Compound name:Chenodeoxycholylhistidine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-004i-3200190000-ae8b591302a298cddf9d
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:C30H47N3O5
Molecular Weight (Monoisotopic Mass):529.3516 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file746 Bytes
Peak assignments (TSV)Download file2.97 KB
mzML formatted file (MZML)Download file5.01 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 ]