Table 2.
Compound | RT (min) | Theoretical value (m/z) | Experimental value (m/z) | Mass tolerance (ppm) | T1 fraction | T8 fraction | Relative content1 |
---|---|---|---|---|---|---|---|
Quinic acid | 1.51 | 191.05556 | 191.05513 | -2.3 | F1 | F1 | 1.17 |
Galloylglucose (1GG) | 2.63 | 331.06652 | 331.06695 | 1.3 | F2 | F2 | 2.19 |
Theasinensin C | 2.63 | 609.12443 | 609.12464 | 0.3 | F2 | F2 | 1.24 |
Gallic acid (GA) | 3.15 | 169.01370 | 169.01311 | -3.5 | F2 | F2 | 28.29 |
5-galloylquinic acid | 3.89 | 343.06653 | 343.06667 | 0.4 | F2 | F2 | 2.29 |
Theobromine | 5.94 | 181.07255 | 181.07197 | -3.2 | F3 | F2 | 6.15 |
Gallocatechin | 6.09 | 305.06613 | 305.06622 | 0.3 | F3 | F3 | 0.11 |
Prodelphinidin B-4 | 7.25 | 609.12444 | 609.12456 | 0.2 | F3 | N.D.2 | -3 |
Theasinensin B | 8.06 | 761.13540 | 761.13554 | 0.2 | N.D. | F3 | - |
Epigallocatechin | 9.27 | 305.06613 | 305.06625 | 0.4 | F4 | F4 | 0.17 |
3-coumaroylquinic acid | 9.27 | 337.09235 | 337.09256 | 0.6 | F4 | F4 | 4.51 |
Catechin | 9.88 | 289.07122 | 289.07136 | 0.5 | F4 | F4 | 0.23 |
5-caffeoylquinic acid | 9.91 | 353.08726 | 353.08741 | 0.4 | N.D. | F4 | - |
Digalloylglucose (2GG) | 9.91 | 483.07749 | 483.07750 | 0.1 | F4 | F4 | 14.79 |
Caffeine | 9.96 | 195.08820 | 195.08757 | -3.2 | F4 | F4 | 2.27 |
Strictinin | 10.72 | 633.07280 | 633.07292 | 0.2 | F4 | F4 | 6.71 |
(Epi)catechin-(epi)catechin | 10.98 | 577.13461 | 577.13459 | -0.1 | F4 | F4 | 0.3 |
4-coumaroylquinic acid | 11.45 | 337.09235 | 337.09278 | 1.3 | F4 | F4 | 0.54 |
Epicatechin | 12.32 | 289.07122 | 289.07148 | 0.9 | F5 | F5 | 0.2 |
5-coumaroylquinic acid | 12.39 | 337.09235 | 337.09266 | 0.9 | F5 | F5 | 1.64 |
Epigallocatechin-3-O-gallate (EGCG) | 12.65 | 457.07709 | 457.07734 | 0.5 | F5 | F5 | 0.8 |
Gallocatechin-3-O-gallate | 13.27 | 457.07709 | 457.07745 | 0.8 | F5 | F5 | 0.59 |
Trigalloylglucose (3GG) | 14.24 | 635.08845 | 635.08886 | 0.6 | F6 | F6 | 48.05 |
Procyanidin B-2 (or 4) 3’-O-gallate | 14.29 | 729.14557 | 729.14600 | 0.6 | F6 | F6 | 1.38 |
Myricitin-3-O-glucoside | 14.42 | 479.08257 | 479.08241 | -0.3 | F6 | F6 | 0.48 |
6-C-arabinoside-8-C-glucosyl apigenin | 14.42 | 563.14009 | 563.13987 | -0.4 | F6 | F6 | 0.66 |
Quercetin-3-O-glucosyl-rhamnosyl-glucoside | 15.54 | 771.19839 | 771.19877 | 0.5 | F6 | F6 | 0.83 |
Epigallocatechin-3-O-(4-O-methyl) gallate | 15.31 | 471.09274 | 471.09257 | -0.4 | F6 | F6 | 0.33 |
Rutin | 16.25 | 609.14557 | 609.14571 | 0.2 | F6 | F6 | 1.24 |
Epicatechin-3-O-gallate | 16.50 | 441.08218 | 441.08213 | -0.1 | F6 | F6 | 1.34 |
Kaempferol-3-O-glucosyl-rhamnosyl-glucoside | 17.09 | 755.20348 | 755.20355 | 0.1 | F6 | F6 | 0.83 |
Kaempferol-3-O-glucoside | 18.43 | 447.09274 | 447.09275 | 0.1 | F7 | F6 | 2.11 |
Epicatechin-3-O-(3-O-methyl) gallate | 18.91 | 455.09783 | 455.09796 | 0.3 | F7 | F6 | 1.01 |
relative content: content ratio of T8 over T1;
N.D.: not detected;
-: not available.