Table 1.
Differential metabolites identified by comparative metabolomics in congou black tea treated with different rolling pressures.
| No. | Metabolite | Ionization | m/z | TR/min | p | VIP | Folds change (HPR/MPR) | Folds change (LPR/MPR) | MS/MS |
|---|---|---|---|---|---|---|---|---|---|
| 1 | Epigallocatechin methylgallate (EGCG-Me) b | M-H | 471.0932 | 8.21 | 0.004 | 1.5 | 1.48 | 1.82 | 125, 161, 183, 305 |
| 2 | Epiafzelechin 3-gallate (EAG) b | M-H | 425.0878 | 10.52 | 0.005 | 1.4 | 1.38 | 1.14 | 169, 255, 273 |
| 3 | Epicatechin 3-O-gallate (ECG) a | M-H | 441.0823 | 8.87 | 0.006 | 1.3 | 1.44 | 1.40 | 169, 289, 331, 271, 193, 397 |
| 4 | Epicatechin (EC) a | M-H | 289.0713 | 6.62 | 0.001 | 1.0 | 1.24 | 1.07 | 125, 179, 205, 245 |
| 5 | Theasinensin B (TSB) b | M-H | 761.1359 | 4.64 | <0.001 | 1.5 | 1.52 | 1.42 | 423, 483, 575, 593, 609, 635, 743 |
| 6 | Theasinensin A (TSA) b | M-H | 913.1469 | 5.90 | <0.001 | 1.4 | 1.47 | 1.27 | 285, 423, 573, 591, 743, 761 |
| 7 | Theasinensin F (TSF) b | M-H | 897.1520 | 7.30 | 0.038 | 1.4 | 1.42 | 1.30 | 407, 727, 745 |
| 8 | 3-Quercetin galloylglucoside b | M-H | 615.1027 | 8.48 | <0.001 | 1.5 | 1.57 | 1.32 | 463, 300, 301 |
| 9 | 2″-(6″-p-Coumaroylglucosyl) quercitrin b | M-H | 755.1873 | 11.80 | <0.001 | 1.5 | 1.40 | 1.01 | 609, 591, 301, 271 |
| 10 | 7-Quercetin galloylglucoside b | M-H | 615.1027 | 8.23 | 0.024 | 1.5 | 1.48 | 1.21 | 463, 300, 301 |
| 11 | Myricetin 3-O-glucoside b | M-H | 479.0825 | 7.80 | 0.002 | 1.4 | 1.44 | 1.51 | 316, 317, 271 |
| 12 | Kaempferol 7-(6″-galloylglucoside) b | M-H | 599.1075 | 9.90 | 0.016 | 1.4 | 1.26 | 1.15 | 125, 169, 313, 285, 447 |
| 13 | Rutin a | M-H | 609.1461 | 8.70 | 0.001 | 1.4 | 1.29 | 1.10 | 301, 343 |
| 14 | Quercetin 3-O-glucosyl-rutinoside b | M-H | 771.1989 | 8.20 | 0.005 | 1.3 | 1.31 | 1.18 | 301, 343, 609 |
| 15 | Hydroxy trimethoxyflavone b | M-H | 327.0893 | 8.20 | 0.003 | 1.3 | 1.30 | 1.23 | 237, 211, 265 |
| 16 | Quercetin 3-O-galactosyl-rutinoside b | M-H | 771.1989 | 8.00 | 0.005 | 1.3 | 1.31 | 1.17 | 301, 343, 609 |
| 17 | Kaempferol a | M-H | 285.0414 | 12.24 | 0.026 | 1.3 | 1.42 | 1.51 | 227, 239, 211 |
| 18 | Quercetin 7-(3-p-coumaroylglucoside) b | M-H | 609.1279 | 11.80 | <0.001 | 1.2 | 1.29 | 1.13 | 463, 300, 301 |
| 19 | Dicoumaryl astragalin b | M-H | 739.1675 | 12.20 | 0.040 | 1.2 | 2.55 | 0.99 | 145, 285, 453, 593 |
| 20 | Vitexin-2-O-rhamnoside a | M-H | 577.1563 | 8.60 | 0.005 | 1.2 | 1.21 | 1.02 | 413, 293, 457 |
| 21 | p-Coumaroylastragalin b | M-H | 593.1306 | 11.90 | 0.002 | 1.2 | 2.78 | 1.96 | 285, 307, 447 |
| 22 | Kaempferol 3-O-β-rutinoside a | M-H | 593.1506 | 9.79 | 0.001 | 1.2 | 1.21 | 0.99 | 285, 327 |
| 23 | Apigenin-6,8-C-diglucoside b | M-H | 593.1512 | 6.60 | 0.009 | 1.2 | 1.24 | 1.07 | 473, 353, 503, 383, 575 |
| 24 | Astragalin a | M-H | 447.0933 | 10.20 | 0.001 | 1.2 | 1.22 | 1.03 | 255, 284, 285, 327, 357 |
| 25 | Kaempferol 3-O-galactosyl-rutinoside b | M-H | 755.2040 | 8.70 | <0.001 | 1.1 | 1.22 | 1.00 | 285 |
| 26 | Quercetin-3-O-galactoside b | M-H | 463.0882 | 8.90 | <0.001 | 1.1 | 1.34 | 1.12 | 301, 300, 293 |
| 27 | Kaempferol 3-O-glucosyl-rutinoside b | M-H | 755.2040 | 9.10 | 0.004 | 1.1 | 1.20 | 1.02 | 285 |
| 28 | Apigenin 6-C-glucoside 8-C-arabinoside b | M-H | 563.1406 | 7.50 | 0.020 | 1.1 | 1.22 | 1.07 | 353, 383, 524, 443, 473, 503, 545 |
| 29 | Quercetin 3-arabinoside b | M-H | 433.0799 | 9.77 | <0.001 | 1.0 | 1.42 | 1.17 | 300, 271, 301, 255 |
| 30 | Kaempferol-3-O-galactoside b | M-H | 447.0933 | 9.80 | 0.003 | 1.0 | 1.22 | 1.01 | 255, 284, 285, 327, 357 |
| 31 | Caffeoylquinic acid b | M-H | 353.0868 | 4.50 | 0.002 | 1.4 | 1.39 | 1.16 | 135,173,179,191 |
| 32 | Theogallin a | M-H | 343.0671 | 1.70 | 0.004 | 1.4 | 1.53 | 1.43 | 191 |
| 33 | Digalloylglucose b | M-H | 483.078 | 5.22 | <0.001 | 1.3 | 1.56 | 1.39 | 125, 169, 211,271, 313, 331 |
| 34 | Caffeoylquinic acid isomer b | M-H | 353.0868 | 5.70 | 0.007 | 1.3 | 1.55 | 1.45 | 135,173,179,191 |
| 35 | Trigalloyl glucopyranose b | M-H | 635.0883 | 7.24 | <0.001 | 1.3 | 1.84 | 1.70 | 125, 169, 313, 465, 483 |
| 36 | Dihydroxy-benzoic acid b | M-H | 153.0182 | 6.30 | 0.007 | 1.2 | 0.82 | 0.78 | 109 |
| 37 | 2,5-Dihydroxy-benzoic acid a | M-H | 153.0182 | 5.30 | 0.016 | 1.0 | 1.21 | 1.07 | 109 |
| 38 | Gluconic acid b | M-H | 195.0510 | 0.69 | <0.001 | 1.6 | 1.22 | 1.13 | 129, 159, 177 |
| 39 | Maltose a | M-H | 341.1089 | 0.76 | 0.002 | 1.2 | 1.49 | 1.37 | 113, 119, 143, 161, 179 |
| 40 | Ribonic acid b | M-H | 165.0398 | 0.70 | <0.001 | 1.0 | 1.44 | 1.30 | 75, 105, 129, 147 |
| 41 | Lysine a | M + H | 147.1133 | 0.59 | 0.004 | 1.6 | 0.83 | 0.75 | 84, 130 |
| 42 | Theanine a | M + H | 175.1082 | 0.77 | 0.034 | 1.5 | 1.24 | 1.21 | 129, 158 |
| 43 | Histidine a | M + H | 156.0772 | 0.61 | 0.037 | 1.1 | 1.15 | 1.02 | 95, 110 |
| 44 | Uracil b | M + H | 113.0346 | 1.09 | 0.015 | 1.5 | 0.88 | 0.85 | 70, 96, 113 |
| 45 | Malic acid a | M-H | 133.0137 | 0.77 | 0.002 | 1.1 | 1.20 | 1.03 | 71, 89, 115 |
| 46 | Theanine glucoside b | M + H | 337.1615 | 0.77 | <0.001 | 1.6 | 1.51 | 1.40 | 253, 301, 319 |
| 47 | 1-(Sn-glycero-3-phospho)-1D-myoinositol b | M-H | 333.0592 | 0.67 | 0.003 | 1.1 | 1.19 | 1.00 | 153, 241 |
a
confirmed by standards;
b
, identified based on exact mass and MS/MS.