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Review Article

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

Table 18

Phenolic compounds identified by LC/QTOF mass spectrometry and “suspects screening” analysis using the library GrapeMetabolomics in the study of metabolomics of Raboso Piave grape extract. The compounds identified with identification score (id.) higher than 95% are reported.


Phenolic compound	Id. score	Exact mass	Formula

Vanillic acid	99.9	168.0423	C₈H₈O₄
cis-piceid	99.9	390.1315	C₂₀H₂₂O₈
Pentahydroxyflavone A	99.8	302.0427	C₁₅H₁₀O₇
Myricetin-3-O-rhamnoside	99.8	464.0955	C₂₁H₂₀O₁₂
(epi)catechin gallate	99.8	442.0900	C₂₂H₁₈O₁₀
Hydroxycoumarin	99.8	162.0317	C₉H₆O₃
Rhamnetin	99.8	316.0583	C₁₆H₁₂O₇
trans-resveratrol	99.8	228.0786	C₁₄H₁₂O₃
Myricetin	99.8	318.0376	C₁₅H₁₀O₈
Coumarin	99.8	146.0368	C₉H₆O₂
Resveratrol tetramer 3	99.8	906.2676	C₅₆H₄₂O₁₂
Pentahydroxyflavone B	99.7	302.0427	C₁₅H₁₀O₇
Pyrogallol	99.7	126.0317	C₆H₆O₃
Syringetin	99.7	346.0689	C₁₇H₁₄O₈
Taxifolin-deoxy hexoside B	99.7	450.1162	C₂₁H₂₂O₁₁
Gingerol	99.7	294.1831	C₁₇H₂₆O₄
Dimethoxyphenol	99.6	154.0630	C₈H₁₀O₃
Barbaloin	99.6	418.1264	C₂₁H₂₂O₉
trans-caffeoyl-tartaric acid	99.6	312.0481	C₁₃H₁₂O₉
Ferulic acid	99.6	194.0579	C₁₀H₁₀O₄
Delphinidin p-coumarylmonoglucoside	99.6	611.1401	C₃₀H₂₇O₁₄
Laricitrin-3-O-glucoside	99.6	494.1060	C₂₂H₂₂O₁₃
Emodin 8-glucoside	99.5	432.1057	C₂₁H₂₀O₁₀
E--viniferin	99.5	454.1416	C₂₈H₂₂O6
Isorhamnetin-3-O-glucoside	99.5	478.1111	C₂₂H₂₂O₁₂
Laricitrin	99.4	332.0532	C₁₆H₁₂O₈
Cyanidin p-coumarylmonoglucoside	99.4	595.1452	C₃₀H₂₇O₁₃
Esahydroxyflavanone-C-deoxy hexoside	99.4	466.1111	C₂₁H₂₂O₁₂
Pentahydroxyflavanone-C-hexoside	99.4	466.1111	C₂₁H₂₂O₁₂
Kaempferol-deoxy hexoside	99.4	432.1056	C₂₁H₂₀O₁₀
Z--viniferin	99.4	454.1416	C₂₈H₂₂O₆
(epi)gallocatechin-catechin	99.3	594.1373	C₃₀H₂₆O₁₃
Caffeic acid	99.3	180.0423	C₉H₈O₄
Taxifolin-deoxy hexoside A	99.3	450.1162	C₂₁H₂₂O₁₁
Taxifolin-pentoside B	99.3	436.1006	C₂₀H₂₀O₁₁
Guaiacol	99.2	124.0524	C₇H₈O₂
Resveratrol dimer 4	99.2	454.1416	C₂₈H₂₂O₆
Methylnaringenin	99.2	286.0841	C₁₆H₁₄O₅
Petunidin-3-O-monoglucoside	99.2	479.1190	C₂₂H₂₃O₁₂
Tamarixetin	99.2	316.0583	C₁₆H₁₂O₇
Peonidin acetylmonoglucoside	99.2	505.1346	C₂₄H₂₅O₁₂
Dihydroquercetin	99.2	304.0583	C₁₅H₁₂O₇
Syringetin-3-O-glucoside	99.1	508.1217	C₂₃H₂₄O₁₃
Quercetin-3-O-rhamnoside	99.1	448.1006	C₂₁H₂₀O₁₁
Fisetin	99.1	286.0477	C₁₅H₁₀O₆
Luteolin	99.1	286.0477	C₁₅H₁₀O₆
Vanillic acid beta-D-glucopyranoside	98.9	330.0951	C₁₄H₁₈O₉
Peonidin p-coumaroylmonoglucoside	98.9	609.1608	C₃₁H₂₉O₁₃
Piceatannol	98.7	244.0736	C₁₄H₁₂O₄
Petunidin acetylmonoglucoside	98.6	521.1295	C₂₄H₂₅O₁₃
Myricetin-3-O-glucoside	98.5	480.0904	C₂₁H₂₀O₁₃
p-hydroxybenzoic acid	98.4	138.0317	C₇H₆O₃
Methylsyringate beta-D-glucopyranoside	98.3	374.1213	C₁₆H₂₂O₁₀
Quercetin-3-O-glucoside	98.0	464.0955	C₂₁H₂₀O₁₂
Resveratrol dimer 3	98.0	454.1416	C₂₈H₂₂O₆
Silybin	97.9	482.1213	C₂₅H₂₂O₁₀
Methylvanillate beta-D-glucopyranoside	97.9	344.1107	C₁₅H₂₀O₉
Syringaldehyde 4-O-beta-D-glucopyranoside	97.9	344.1107	C₁₅H₂₀O₉
Procyanidin (B1, B2, B3, B4, B5)	97.8	578.1424	C₃₀H₂₆O₁₂
Tetrahydroxy-dimethoxyflavanone-hexoside	97.8	510.1373	C₂₃H₂₆O₁₃
Malvidin-3-O-monoglucoside	97.7	493.1346	C₂₃H₂₅O₁₂
Resveratrol trimer 1	97.7	680.2046	C₄₂H₃₂O₉
Pelargonidin p-coumaroylmonoglucoside	97.6	579.1503	C₃₀H₂₇O₁₂
Cyanidin-3-O-monoglucoside	97.6	449.1084	C₂₁H₂₁O₁₁
Resveratrol trimer 2	97.5	680.2046	C₄₂H₃₂O₉
Di-O-methylquercetin B	97.5	330.0740	C₁₇H₁₄O₇
p-cumaric acid beta-D-glucopyranoside	97.5	326.1002	C₁₅H₁₈O₈
Delphinidin-3-O-monoglucoside	97.4	465.1033	C₂₁H₂₁O₁₂
Quercetin-3-O-glucuronide	97.4	478.0747	C₂₁H₁₈O₁₃
p-cumaric acid	97.2	164.0473	C₉H₈O₃
Delphinidin acetylmonoglucoside	97.2	507.1139	C₂₃H₂₃O₁₃
Procyanidin (T2, T3, T4)	97.0	866.2058	C₄₅H₃₈O₁₈
Petunidin p-coumaroylmonoglucoside	96.8	625.1557	C₃₁H₂₉O₁₄
Malvidin acetylmonoglucoside	96.7	535.1452	C₂₅H₂₇O₁₃
Di-O-methylquercetin A	96.5	330.0740	C₁₇H₁₄O₇
Malvidin p-coumaroylmonoglucoside	96.3	639.1714	C₃₂H₃₁O₁₄
Methylgallic acid isomer 2	96.0	184.0372	C₈H₈O₅
Resveratrol dimer 5	95.5	454.1416	C₂₈H₂₂O₆
Coniferaldehyde 4-O-beta-D-glucopyranoside	95.3	340.1158	C₁₆H₂₀O₈
Myricetin-3-O-glucuronide	95.0	494.0697	C₂₁H₁₈O₁₄