Table 1.
Data on identification of phenolic compounds composing the multifunctional extract from Tannat grape skin obtained under hydro-alcoholic-acid conditions analyzed by UHPLC-MS/MS.
| Negative ESI | ||||
| Compound 1 | RT [min] |
[M-H]−
(m/z) |
Fragments (m/z) | Extract 2 |
| 3-Phenyllactic acid | 10.6 | 165.0559 | 147.0455, 119.0504 | 0.0775 |
| 7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-5-yl β-D-glucopyranoside | 11.8 | 433.1154 | 271.0607, 151.0041 | 0.0044 |
| Astragalin isomer 1 | 11.1 | 447.0944 | 284.0334, 227.0356 | 0.0175 |
| Astragalin isomer 2 | 11.2 | 447.0949 | 284.0334, 227.0356 | 0.0234 |
| Caffeic acid | 9.5 | 179.0354 | 135.0455 | 0.0172 |
| cis-Aconitic acid | 2.8 | 173.0094 | 129.0197, 85.0297 | 0.0575 |
| Eriodictyol | 13.6 | 287.0570 | 151.0041, 135.0456 | 0.0046 |
| Gallic acid | 3.7 | 169.0145 | 125.0247 | 0.2303 |
| Isorhamnetin | 14.9 | 315.0519 | 300.0283, 151.0037 | 0.1849 |
| Myricetin | 12.3 | 317.0310 | 178.9989, 151.0040 | 0.1094 |
| Quercetin-3-galacturonide | 10.7 | 477.0685 | 301.0361, 151.0039 | 0.4236 |
| Quercetin | 13.5 | 301.0361 | 151.0040, 107.0141 | 0.3677 |
| Quercetin-3β-D-glucoside | 10.7 | 463.0900 | 300.0282, 271.0254 | 0.1575 |
| Syringic acid | 11.2 | 197.0459 | 182.0225, 123.0091 | 0.0595 |
| Vanillic acid | 10.8 | 167.0352 | 152.0118, 123.0091 | 0.0450 |
| Vanillyl alcohol | 5.2 | 153.0561 | 138.0325, 123.0091 | 0.0336 |
| Naringenin | 14.8 | 271.0620 | 151.0041, 119.0505 | 0.0071 |
| Positive ESI | ||||
| Compound 3 | RT [min] | [M]+ (m/z) | Fragments (m/z) | Extract 2 |
| Cyanidin 3-(6-O-acetylglucoside) | 9.8 | 491.1184 | 287.0550 | 0.00001 |
| Cyanidin-3-O-(6-p-coumaroyl) glucoside | 10.9 | 595.1446 | 287.0550 | 0.00004 |
| Cyanidin-3-pyranoside | 8.5 | 449.1078 | 287.0550 | 0.00003 |
| Delphinidin-3-(6-O-acetylglucoside) | 9.2 | 507.1133 | 303.0500 | 0.00003 |
| Delphinidin-3-O-(6-p-coumaroyl) glucoside | 10.5 | 611.1395 | 303.0500 | 0.00015 |
| Delphinidin-3-pyranoside | 7.8 | 465.1027 | 303.0500 | 0.00010 |
| Malvidin-3-(6-O-acetylglucoside) | 10.4 | 535.1446 | 331.0800 | 0.00444 |
| Malvidin-3-O-(6-p-coumaroyl) glucoside | 11.5 | 639.1708 | 331.0800 | 0.00757 |
| Malvidin-3-pyranoside | 9.2 | 493.1340 | 331.0800 | 0.00886 |
| Peonidin-3-(6-O-acetylglucoside) | 10.4 | 505.1341 | 301.0700 | 0.00019 |
| Peonidin-3-O-(6-p-coumaroyl) glucoside | 11.5 | 609.1603 | 301.0700 | 0.00037 |
| Peonidin-3-pyranoside | 9.2 | 463.1235 | 301.0700 | 0.00033 |
| Petunidin-3-(6-O-acetylglucoside) | 9.9 | 521.1290 | 317.0700 | 0.00037 |
| Petunidin-3-O-(6-p-coumaroyl) glucoside | 11.0 | 625.1552 | 317.0700 | 0.00072 |
| Petunidin-3-pyranoside | 11.2 | 479.1184 | 317.0700 | 0.00051 |
1 Compound Discoverer 3.1 (mzCloud library, Advanced Mass Spectral Database); 2 Results normalized with TIC area (area/area TIC); 3 Ivanova et al. [16].