Spectrum Details
MiMe ID:MMDBc0057246
Compound name:Chenodeoxycholylvaline
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-05fu-2009000000-7d9dbf25f8481c73821d
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:C29H49NO5
Molecular Weight (Monoisotopic Mass):491.3611 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file895 Bytes
Peak assignments (TSV)Download file3.29 KB
mzML formatted file (MZML)Download file5.19 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 ]