Spectrum Details
FooDB ID:FDB023001
Compound name:(3alpha,5beta)-24-Oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-beta-D-glucopyranosiduronic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-001i-5601913000-0a59b8c64361a2d42b95
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:C32H53NO11S
Molecular Weight (Monoisotopic Mass):659.3339 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file750 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-OK95IX)Download file750 Bytes
mzML formatted file (MZML)Download file4.58 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.