Table 3.
Detailed information of 56 key different compounds between BDCT and SDCT screened based on p < 0.05 and VIP > 1.
| No. | Metabolite Identification | m/z | RT/min | p Value | VIP | MS/MS |
|---|---|---|---|---|---|---|
| Flavan-3-ols and their derivatives | ||||||
| 1 | Epiafzelechin a | 273.0773 | 7.7 | <0.001 | 1.6 | 187, 189, 229, 255 |
| 2 | ECG a | 305.0665 | 5.1 | <0.001 | 1.1 | 125, 137, 165, 179, 219, 221, 261, 287 |
| 3 | EGCG a | 457.0767 | 6.6 | <0.001 | 1.5 | 169, 193, 287, 305, 331 |
| 4 | Procyanidin B1 a | 577.1351 | 5.2 | <0.001 | 1.1 | 125, 289, 407, 425, 451, 559 |
| 5 | Procyanidin C1 b | 865.1985 | 6.2 | <0.001 | 1.2 | 125, 289, 407, 577, 695, 713, 739, 847 |
| 6 | Theasinensin A b | 913.1469 | 5.8 | <0.001 | 1.5 | 285, 423, 573, 591, 743, 761 |
| 7 | Theasinensin B b | 761.1359 | 4.6 | <0.001 | 1.2 | 423, 483, 575, 593, 609, 635, 743 |
| 8 | Theasinensin F b | 897.1520 | 7.2 | <0.001 | 1.3 | 407, 727, 745 |
| 9 | TF-3,3′-G a | 867.1408 | 11.9 | <0.001 | 1.3 | 125, 169, 241 |
| Flavonols and flavone/flavonol glycosides | ||||||
| 10 | Apigenin 6-C-glucoside 8-C-arabinoside b | 563.1406 | 7.5 | <0.001 | 1.5 | 353, 383, 524, 443, 473, 503, 545 |
| 11 | Apigenin-6,8-C-diglucoside b | 593.1512 | 6.5 | <0.001 | 1.4 | 473, 353, 503, 383, 575 |
| 12 | Vitexin a | 431.0983 | 8.6 | <0.001 | 1.5 | 283, 311, 341 |
| 13 | Vitexin-2-O-rhamnoside a | 577.1563 | 8.6 | <0.001 | 1.1 | 413, 293, 457 |
| 14 | Vitexin-4″-O-glucoside b | 593.1506 | 8.1 | <0.001 | 1.5 | 293, 413 |
| 15 | Kaempferol a | 285.0414 | 12.2 | <0.001 | 1.4 | 227, 239, 211 |
| 16 | Kaempferol 3-O-galactosyl-rutinoside b | 755.204 | 8.7 | <0.001 | 1.4 | 285 |
| 17 | Kaempferol 3-O-glucosyl-rutinoside b | 755.204 | 9.1 | <0.001 | 1.6 | 285 |
| 18 | Kaempferol 3-O-β-rutinoside b | 593.1506 | 9.7 | <0.001 | 1.7 | 285, 327 |
| 19 | Kaempferol 7-(6″-galloylglucoside) b | 599.1075 | 9.8 | <0.001 | 1.6 | 125, 169, 313, 285, 447 |
| 20 | Kaempferol-3-O-galactoside b | 447.0933 | 9.7 | <0.001 | 1.7 | 255, 284, 285, 327, 357 |
| 21 | Dicoumaryl astragalin b | 739.1675 | 12.2 | <0.001 | 1.3 | 145, 285, 453, 593 |
| 22 | p-Coumaroylastragalin b | 593.1306 | 11.9 | <0.001 | 1.3 | 285, 307, 447 |
| 23 | Astragalin a | 447.0933 | 10.2 | <0.001 | 1.7 | 255, 284, 285, 327, 357 |
| 24 | Myricetin 3-O-glucoside b | 479.0825 | 7.7 | <0.001 | 1.3 | 316, 317, 271 |
| 25 | Quercetin a | 301.0348 | 12.0 | <0.001 | 1.6 | 107, 121, 151, 179 |
| 26 | Isoquercitrin a | 463.0882 | 9.0 | <0.001 | 1.7 | 301, 300 |
| 27 | Quercetin 3-arabinoside b | 433.0799 | 9.7 | <0.001 | 1.7 | 300, 271, 301, 255 |
| 28 | Quercetin 3-O-galactosyl-rutinoside b | 771.1989 | 8.0 | <0.001 | 1.6 | 301, 343, 609 |
| 29 | Quercetin 3-O-glucosyl-rutinoside b | 771.1989 | 8.2 | <0.001 | 1.5 | 301, 343, 609 |
| 30 | Quercetin 7-(3-p-coumaroylglucoside) b | 609.1279 | 11.8 | <0.001 | 1.5 | 463, 300, 301 |
| 31 | Quercetin-3-O-galactoside b | 463.0882 | 8.8 | <0.001 | 1.7 | 301, 300, 293 |
| 32 | Quercetin-3-p-coumaroylrutinoside b | 755.1873 | 11.8 | <0.001 | 1.6 | 609, 591, 301, 271 |
| 33 | 3-Quercetin galloylglucoside b | 615.1027 | 8.4 | <0.001 | 1.4 | 463, 300, 301 |
| 34 | 7-Quercetin galloylglucoside b | 615.1027 | 8.4 | <0.001 | 1.4 | 463, 300, 301 |
| 35 | Rutin a | 609.1461 | 8.6 | <0.001 | 1.7 | 301, 343 |
| Amino acids | ||||||
| 36 | Aspartic acid a | 132.0296 | 0.7 | <0.001 | 1.3 | 88, 115 |
| 37 | Glutamine b | 146.0453 | 0.7 | <0.001 | 1.4 | 109, 127 |
| 38 | Histidine a | 154.0616 | 0.6 | <0.05 | 1.1 | 93, 137 |
| 39 | Phenylalanine a | 164.0711 | 2.4 | <0.001 | 1.3 | 97, 137, 147 |
| 40 | Theanine a | 173.0926 | 1.1 | <0.05 | 1.1 | 128, 155 |
| 41 | Tyrosine a | 180.066 | 1.2 | <0.001 | 1.4 | 72, 93, 119, 163 |
| Phenolic acids | ||||||
| 42 | Digalloylglucose b | 483.078 | 5.2 | <0.05 | 1.1 | 125, 169, 211,271, 313, 331 |
| 43 | Dihydroxy-benzoic acid b | 153.0182 | 6.2 | <0.05 | 1.6 | 109 |
| 44 | Quinic acid a | 191.0561 | 0.7 | <0.001 | 1.6 | 85, 93, 127, 173 |
| 45 | Shikimic acid a | 173.0455 | 0.8 | <0.001 | 1.1 | 73, 93, 111, 137 |
| 46 | Theogallin a | 343.0671 | 1.8 | <0.001 | 1.5 | 191 |
| 47 | p-Coumaric acid a | 163.04 | 5.2 | <0.001 | 1.4 | 119, 93 |
| 48 | 3-O-p-coumaroylquinic acid b | 337.0929 | 6.2 | <0.001 | 1.7 | 173 |
| Sugars | ||||||
| 49 | Glucose a | 179.0562 | 0.8 | <0.001 | 1.6 | 59, 71, 89, 101, 113 |
| 50 | Maltose a | 341.1089 | 0.8 | <0.001 | 1.3 | 113, 119, 143, 161, 179 |
| 51 | Raffinose a | 503.1612 | 0.7 | <0.001 | 1.4 | 89, 101, 179, 221 |
| 52 | ribonic acid b | 165.0398 | 0.7 | <0.001 | 1.1 | 75, 105, 129, 147 |
| Organic acids | ||||||
| 53 | Citric acid a | 191.0197 | 1.1 | <0.001 | 1.2 | 85, 111, 173 |
| 54 | Succinic acid a | 117.0187 | 1.3 | <0.001 | 1.1 | 73, 99 |
| Flavone | ||||||
| 55 | Hydroxy trimethoxyflavone b | 327.0893 | 8.0 | <0.05 | 1.6 | 237, 211, 265 |
| Nucleotide | ||||||
| 56 | UMP b | 323.0286 | 0.8 | <0.001 | 1.2 | 173, 211, 279, 305, 79, 193 |
a Confirmed by standards. b Identified based on exact mass and MS/MS. Statistical significance was determined by the Mann–Whitney U test.