Spectrum Details
FooDB ID:FDB022998
Compound name:N-[(3a,5b,7b)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-glycine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-00e9-9202100000-4373117d5d9396949b98
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:C26H43NO8S
Molecular Weight (Monoisotopic Mass):529.2709 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file738 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-16IGR7E)Download file738 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.