. 2013 Jan 23;8(1):e53725. doi: 10.1371/journal.pone.0053725

Table 1. Identification of procyanidins in DAPP.

AB powder		Formula	Ion formula[M-H]^-	Experimentalmass (m/z)	Theoreticalmass (m/z)	Diff. ppm(<5 ppm)
Flavonols	Quercetin 3-O-glucoside	C₂₁H₂₀O₁₂	C₂₁H₁₉O₁₂	463,09050	463,08820	4.96
	Quercetin 3-O-galactoside	C₂₁H₂₀O₁₂	C₂₁H₁₉O₁₂	463,09018	463,08820	4.27
	Quercetin 3-O-arabinoside	C₂₀H₁₈O₁₁	C₂₀H₁₇O₁₁	433,07914	433,07763	3.47
	Quercetin 3-O-xyloside	C₂₀H₁₈O₁₁	C₂₀H₁₇O₁₁	433,07977	433,07763	4.92
	Quercetin 3-O-rhamnoside	C₂₁H₂₀O₁₁	C₂₁H₁₉O₁₁	447,09506	447,09329	3.96
Dihydrochalcone	Phloridzin	C₂₁H₂₄O₁₀	C₂₁H₂₃O₁₀	435,13171	435,12967	4.68

Experimental mass measurement and empirical formula calculation for quercetin glycosides and dihydrochalcone. A good agreement between the theoretical and the experimental m/z values was obtained for all compounds examined (<5 ppm). Separations were performed on an 1100 LC system coupled to an ESI-MSD-TOF mass spectrometer (Agilent Technologies, Santa Clara, CA).