Spectrum Details
FooDB ID:FDB000122
Compound name:Prodelphinidin trimer GC-C-C
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-002b-0000000390-0520a3c3c5eb88df3488
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
20406080100050100150200250300350400450500550600650700750800850900
050100150200250300350400450500550600650700750800850900
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:C45H38O20
Molecular Weight (Monoisotopic Mass):898.1956 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file2.58 KB
Peak assignments (TSV)Download file20.7 KB
mzML formatted file (MZML)Download file7.51 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 ]