Spectrum Details
FooDB ID:FDB001726
Compound name:Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside] 5-O-(beta-D-glucopyranoside)
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-052f-9200001000-afd68bc23085feb1a50c
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
20406080100010020030040050060070080090010001100
010020030040050060070080090010001100
m/z
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:C51H53O26
Molecular Weight (Monoisotopic Mass):1081.2825 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file739 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-W8QTE1)Download file739 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.