Chemical Characterization of Fruit Wine Made from Oblačinska Sour Cherry

Table 3

Characterization of phenolic compounds in wine samples using UHPLC − MS/MS Orbitrap. Target compounds, mean expected retention times (𝑡_𝑅), calculated mass, found mass, mean mass accuracy (ppm), and MS/MS fragments (+ stands for detected and ND for not detected compound).

Compound	𝑡𝑅, min	Calculated [M–H]^−	Found [M–H]^−	ppm	MS/MS fragments	SCW	W1	W2	W3	W4	W5
Caffeoylquinic acid isomer 1	2.52	353.0867	353.0855	3.4	179, 191	+	ND	ND	ND	ND	ND
trans-Caftaric acid	2.54	311.0407	311.0393	4.5	135, 149, 179	ND	+	+	+	+	+
Quercetin-3-O-hexoside 1	2.56	463.0882	463.0859	5.0	179, 301	+	ND	ND	ND	ND	ND
Quercetin-3-O-hexoside 2	2.99	463.0882	463.0860	4.8	179, 301	+	ND	ND	ND	ND	ND
Procyanidin B type isomer 1	3.14	577.1351	577.1325	4.5	425	+	+	+	+	+	+
Caffeoyl-hexoside 1	3.52	341.0874	341.0869	1.5	179, 135	+	ND	ND	ND	ND	ND
Caffeoyl-hexoside 2	3.60	341.0874	341.0874	0.0	179, 135	+	ND	ND	ND	ND	ND
Caffeoylquinic acid isomer 2	3.61	353.0867	353.0856	3.1	179, 191	+	ND	ND	ND	ND	ND
Coumaroyl-hexoside 1	3.64	325.0929	325.0913	4.9	163	ND	+	ND	+	+	+
Procyanidin B type isomer 2	3.69	577.1351	577.1325	4.5	425	+	+	+	+	+	+
Coumaroyl-hexoside 2	3.72	325.0929	325.0919	3.1	163	ND	+	+	+	+	+
Coumaroyl-hexoside 3	3.89	325.0929	325.0913	4.9	163	ND	+	+	+	+	+
Dihydroquercetin-3-O-rhamnoside	3.97	449.1074	449.1064	2.2	303	ND	+	+	+	+	+
Procyanidin B type isomer 3	4.09	577.1351	577.1325	4.5	425	ND	+	+	+	+	+
Myricetin-3-O-hexoside	4.14	479.0831	479.0810	4.4	317	ND	+	+	+	+	+
Dihydromyricetin-3-O-rhamnoside	4.22	465.1023	465.1015	1.7	319	ND	+	+	+	+	ND
Syringic acid	4.44	197.0455	197.0447	4.1	153	+	+	+	+	+	+
Cinnamic acid	4.56	147.0452	147.0448	2.7	103	ND	ND	+	+	+	ND
Luteolin^a	5.55	285.0405	285.0393	4.2	133, 213	ND	+	+	+	+	+
Chrysin^a	7.22	253.0506	253.0497	3.6	151, 181	+	+	+	+	+	ND
Pinocembrin^a	7.34	255.0663	255.0651	4.7	213	+	+	ND	ND	+	+
Galangin^a	7.34	269.0455	269.0443	4.5	183, 197	ND	+	+	+	+	ND

aConfirmed using available standards.