Spectrum Details
chemdb ID:CHEM027412
Compound name:(15a,20R)-Dihydroxypregn-4-en-3-one 20-[glucosyl-(1->4)-6-acetyl-glucoside]
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-00lr-2449110000-996922b46bd2b253c044
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:Positive
Collision Energy:40 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
Molecular Weight (Avergae Mass):698.7949 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
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.