Spectrum Details
FooDB ID:FDB000108
Compound name:Procyanidin trimer EEC
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-00kb-0210030970-6c68e62a753e751936d6
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
20406080100050100150200250300350400450500550600650700750800850
050100150200250300350400450500550600650700750800850
m/z
Experimental Conditions
Ionization Mode:Positive
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C45H38O18
Molecular Weight (Monoisotopic Mass):866.2058 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file2.36 KB
Peak assignments (TSV)Download file19.4 KB
mzML formatted file (MZML)Download file7.2 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]