Table 2.
Retention times, MS/MS2 m/z values and mean contents (μg MGE/g DM) of anthocyanin compounds detected in the skins of grape cultivars/accessions belonging to the three study groups by Q-Exactive orbitrap MS.
| Rt (min). | MS; MS2 (m/z) | Anthocyanin | V. amurensis | Interspecific Hybrids | V. vinifera | |||
|---|---|---|---|---|---|---|---|---|
| Mean | SE | Mean | SE | Mean | SE | |||
| 2.41 | 789; 627,465,303 | Dp-3,5,7-triglc * | 35.96 | 21.63 | 6.37 | 5.53 | — | — |
| 2.97 | 773; 611,449,287 | Cy-3,5,7-triglc * | 26.88 | 15.48 | 4.19 | 3.31 | — | — |
| 3.01 | 627; 465,303 | Dp-3,5-diglc | 4608.23 | 3395.62 | 321.30 | 352.87 | 15.79 | 19.66 |
| 3.11 | 803; 641; 479,317 | Pt-3,5,7-triglc * | 26.15 | 18.45 | 15.14 | 32.68 | — | — |
| 3.48 | 611; 449,287 | Cy-3,5-diglc | 3229.93 | 2843.26 | 311.09 | 406.38 | — | — |
| 3.57 | 787; 625,463,301 | Pn-3,5,7-triglc * | 7.34 | 6.81 | 8.69 | 7.60 | — | — |
| 3.73 | 817; 655,493,331 | Mv-3,5,7-triglc * | 681.46 | 1404.39 | 33.16 | 20.69 | — | — |
| 3.72 | 641; 479,317 | Pt-3,5-diglc | 3157.22 | 2087.73 | 388.53 | 321.75 | — | — |
| 3.91 | 465; 303 | Dp-3-glc | 861.17 | 824.13 | 1261.65 | 1607.40 | 148.58 | 194.19 |
| 3.99 | 595; 433,271 | Pg-3,5-diglc | 16.01 | 10.77 | 3.38 | 2.32 | — | — |
| 4.18 | 625; 463,301 | Pn-3,5-diglc | 3027.85 | 2968.72 | 802.29 | 562.95 | — | — |
| 4.26 | 655; 493,331 | Mv-3,5-diglc | 17,344.52 | 6146.84 | 4273.00 | 2643.70 | 1.75 | 0.49 |
| 4.4 | 669; 507,465,303 | Dp-3-acglc-5-glc | 4.91 | 5.00 | 6.99 | 8.67 | — | — |
| 4.42 | 449; 287 | Cy-3-glc | 235.81 | 179.96 | 321.29 | 306.54 | 48.17 | 59.19 |
| 4.7 | 479; 317 | Pt-3-glc | 302.33 | 204.74 | 477.40 | 351.41 | 168.02 | 181.37 |
| 4.96 | 433; 271 | Pg-3-glc | 1.02 | 0.96 | 1.27 | 1.01 | 0.78 | 0.79 |
| 5.09 | 653; 491,449,287 | Cy-3-acglc-5-glc | 14.65 | 14.83 | 28.60 | 81.11 | — | — |
| 5.09 | 683; 521,479,317 | Pt-3-acglc-5-glc | 16.37 | 7.44 | 67.33 | 201.79 | — | — |
| 5.17 | 463; 301 | Pn-3-glc | 67.85 | 52.91 | 233.71 | 214.31 | 261.38 | 163.51 |
| 5.34 | 493; 331 | Mv-3-glc | 434.03 | 287.52 | 1350.04 | 867.34 | 2502.94 | 2426.91 |
| 5.6 | 667; 505,463,301 | Pn-3-acglc-5-glc | 15.93 | 17.60 | 6.84 | 3.98 | — | — |
| 5.6 | 697; 535,493,331 | Mv-3-acglc-5-glc | 71.59 | 38.15 | 32.77 | 27.89 | — | — |
| 5.61 | 963; 801,639,493,331 | Mv-3-cmglc-5-glc-7-glc * | — | — | 3.84 | 2.48 | — | — |
| 5.76 | 789; 627,465,303 | Dp-3-cfglc-5-glc | — | — | 17.65 | 39.97 | — | — |
| 5.73 | 507; 303 | Dp-3-acglc | 2.73 | 4.62 | 23.10 | 58.79 | 9.96 | 13.93 |
| 6.17 | 803; 641,479,317 | Pt-3-cfglc-5-glc | — | — | 9.02 | 15.20 | — | — |
| 6.18 | 773; 611,465,303 /773; 611,449,287 |
Dp-3-cmglc-5-glc /Cy-3-cfglc-5-glc # |
10.19 | 25.14 | 213.59 | 636.50 | — | — |
| 6.2 | 491; 287 | Cy-3-acglc | 1.01 | 0.94 | 3.72 | 3.18 | 2.96 | 4.21 |
| 6.33 | 521; 317 | Pt-3-acglc | 0.88 | 0.64 | 10.93 | 13.32 | 21.02 | 25.23 |
| 6.16 | 627; 303 | Dp-3-cfglc | — | — | 0.67 | 1.14 | 0.18 | 0.23 |
| 6.6 | 817; 655,493, 331 | Mv-3-cfglc-5-glc | 2.24 | 0.00 | 21.62 | 32.73 | — | — |
| 6.56 | 611; 287 | Cy-3-cfglc | — | — | 0.07 | 0.04 | 0.56 | 0.91 |
| 6.61 | 757; 595,449,287 | Cy-3-cmglc-5-glc | 1.07 | 1.49 | 23.54 | 35.97 | — | — |
| 6.62 | 787; 625,479,317 /787; 625,463, 301 |
Pt-3-cmglc-5-glc /Pn-3-cfglc-5-glc # |
4.24 | 8.92 | 54.50 | 107.03 | — | — |
| 6.84 | 505; 301 | Pn-3-acglc | 0.36 | 0.33 | 3.07 | 3.19 | 29.84 | 21.99 |
| 6.91 | 535; 331 | Mv-3-acglc | 1.83 | 1.68 | 22.46 | 29.21 | 191.51 | 38.03 |
| 6.73 | 641; 317 | Pt-3-cfglc | — | — | 0.25 | 0.29 | 0.46 | 0.60 |
| 6.93 | 611; 303 | Dp-3-cmglc | 0.51 | 0.56 | 2.25 | 4.85 | 8.49 | 14.50 |
| 7.07 | 771; 609,463,301 | Pn-3-cmglc-5-glc | 0.94 | 1.06 | 14.56 | 10.38 | — | — |
| 7.02 | 801; 639,493,331 | Mv-3-cmglc-5-glc | 1.10 | 1.08 | 94.32 | 142.02 | — | — |
| 7.07 | 625; 301 | Pn-3-cfglc | — | — | 0.19 | 0.23 | 4.53 | 6.12 |
| 7.23 | 655; 331 | Mv-3-cfglc | — | — | 0.57 | 1.50 | 18.88 | 15.31 |
| 7.37 | 595; 287 | Cy-3-cmglc | — | — | 0.13 | 0.24 | 3.62 | 6.06 |
| 7.48 | 625; 317 | Pt-3-cmglc | — | — | 0.69 | 1.18 | 14.31 | 23.56 |
| 8.25 | 609; 301 | Pn-3-cmglc | — | — | 0.36 | 0.69 | 29.73 | 42.93 |
| 8.37 | 639; 331 | Mv-3-cmglc | 0.00 | 0.00 | 4.60 | 10.86 | 197.95 | 256.04 |
* indicates the anthocyanin compound was speculated according to m/z values. And they were quantified using malvidin-3,5-O-diglucoside as standards. # indicates the two anthocyanin compounds were not separated according to m/z values.And they were quantified as the p-coumaroyl derivatives due to the fragment ion abundance. Abbreviations: Dp, delphinidin; Cy, cyanidin; Pt, petunidin; Pg, pelargonidin; Pn, peonidin; Mv, malvidin; triglc, triglucosides; diglc, diglucosides; glc, monoglucoside; acglc, (6-acetyl)-glucoside; cmglc, (6-coumaroyl)-glucoside; cfglc, (6-caffeoyl)-glucoside.