Predicted LC-MS/MS Spectrum - 20V, Negative (FDB011177)

Spectrum Details
FooDB ID:FDB011177
Compound name:(15a,20R)-Dihydroxypregn-4-en-3-one 20-[glucosyl-(1->4)-6-acetyl-glucoside]
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0a59-9107021000-f492019b980a9e49efc2
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700
050100150200250300350400450500550600650700
m/z
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:C35H54O14
Molecular Weight (Monoisotopic Mass):698.3514 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file755 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-QQNZO3)Download file755 Bytes
mzML formatted file (MZML)Download file4.57 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.