Spectrum Details
FooDB ID:FDB000236
Compound name:5-p-Coumaroylquinic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-014j-0900000000-46e6cf4cf6a54ee60670
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C16H18O8
Molecular Weight (Monoisotopic Mass):338.1002 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.59 KB
Peak assignments (TSV)Download file5.21 KB
mzML formatted file (MZML)Download file6.24 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 ]