International Scholarly Research Notices

Review Article

Recent Applications of Mass Spectrometry in the Study of Grape and Wine Polyphenols

Table 14

Molecular and fragment ions of the flavanol-anthocyanin-anthocyanin (F-A-A⁺) trimers identified in Tempranillo aged wines. The fragment ions are reported in order of abundance.


		m/z
Proposed identity	[M]⁺	Fragment ions
	[M]⁺	MS²	MS³	MS⁴

(E)C-DpG-MvG	1245	1083 [M⁺ − 162]	921 [MS2⁺ − 162]
		795 [M⁺ − 450]	903 [MS2⁺ − 180]
		921 [M⁺ − 324]	657 [MS2⁺ − 426]
		903 [M⁺ − 342]	633 [MS2⁺ − 450]
			837 [MS2⁺ − 246]
(E)C-CyG-MvG	1229	1067 [M⁺ − 162]	905 [MS2⁺ − 162]
		904 [M⁺ − 324]	917 [MS2⁺ − 150]
(E)C-PtG-MvG	1259	1097 [M⁺ − 162]	935 [MS2⁺ − 162]	629 [MS3⁺ − 306]
		971 [M⁺ − 288]	917 [MS2⁺ − 180]
		935 [M⁺ − 324]	899 [MS2⁺ − 198]
		809 [M⁺ − 450]	671 [MS2⁺ − 426]
		1079 [M⁺ − 180]	747 [MS2⁺ − 350]
			971 [MS2⁺ − 126]
(E)C-PnG-MvG	1243	1081 [M⁺ − 162]	919 [MS2⁺ − 162]
		1063 [M⁺ − 180]
(E)C-MvG-MvG	1273	1111 [M⁺ − 162]	949 [MS2⁺ − 162]
		949 [M⁺ − 324]	931 [MS2⁺ − 180]
		661 [M⁺ − 612]	823 [MS2⁺ − 288]
		931 [M⁺ − 342]	685 [MS2⁺ − 426]
		823 [M⁺ − 450]	661 [MS2⁺ − 450]
			737 [MS2⁺ − 374]
			913 [MS2⁺ − 198]
			535 [MS2⁺ − 576]
			331 [MS2⁺ − 780]
(E)GC-DpG-MvG	1261	1099 [M⁺ − 162]	937 [MS2⁺ − 162]
(E)GC-PtG -MvG	1275	1113 [M⁺ − 162]	951 [MS2⁺ − 162]
			647 [MS2⁺ − 466]
(E)GC-MvG-MvG	1289	1127 [M⁺ − 162]	965 [MS2⁺ − 162]
		965 [M⁺ − 324]	929 [MS2⁺ − 198]
		661 [M⁺ − 628]	947 [MS2⁺ − 180]
		823 [M⁺ − 466]	823 [MS2⁺ − 304]
			865 [MS2⁺ − 262]
			661 [MS2⁺ − 466]
			535 [MS2⁺ − 592]
			839 [MS2⁺ − 288]
			467 [MS2⁺ − 660]
			331 [MS2⁺− 796]

MS2⁺: major fragment ion obtained in MS² analysis; MS3⁺: major fragment ion obtained in MS³ analysis; Dp: delphinidin; Cy: cyanidin; Pt: petunidin; Pn: peonidin; Mv: malvidin; G: glucose; (E)C: (epi)catechin; (E)GC: (epi)gallocatechin [60].