TABLE 2.
Chemical composition analysis of the “ginseng–polygala” drug pair by UHPLC-QTOF-MS in the negative ion mode.
| NO | Formula | tR (min) | Cal m/z | m/z | Δ(ppm) | [M-H]−or [M + HCOOH-H]−Fragment ions (m/z) | Compound | Type |
|---|---|---|---|---|---|---|---|---|
| 1 | C22H30O14 | 8.44 | 517.1563 | 517.1569 | 1.2 | 137.0223, 160.0107, and 175.0406 | Arillatoses B | Oligosaccharide esters |
| 2 a | C22H30O14 | 9.44 | 517.1563 | 517.1570 | 1.4 | 137.0223, 160.0173, 175.0412, 193.0522, 341.1177, and 517.1604 | Sibiricoses A5 | Oligosaccharide esters |
| 3 a | C23H32O15 | 9.69 | 547.1668 | 547.1678 | -0.7 | 137.0538, 175.0039, 179.0587, 190.0279, 205.0522, 223.0635, 341.1117, 367.1067, and 547.1737 | Sibiricoses A6 | Oligosaccharide esters |
| 4 a | C24H26O14 | 12.35 | 537.1250 | 537.1262 | 2.2 | 243.0372, 297.0414, 315.0517, 387.0737, 406.0900, and 537.1284 | Sibiricaxanthone B | Xanthones |
| 5 | C34H40O19 | 12.47 | 751.2091 | 751.2126 | 4.6 | 397.0579, 412.0817, 427.1050, 443.1373, and 751.2163 | Arillatoses A | Oligosaccharide esters |
| 6 | C25H28O15 | 12.79 | 567.1355 | 567.1368 | 2.1 | 272.0326, 297.0417, 315.0519, 345.0632, 357.0637, 399.0751, 417.0859, 447.0953, 549.1272, and 567.1402 | Polgalaxanthone III | Xanthones |
| 7 | C20H20O11 | 12.94 | 435.0933 | 435.0934 | 0.1 | 243.0294, 272.0329, 300.0280, 315.0508, 330.0389, and 345.0613 | 7-O-methylmangiferin | Xanthones |
| 8 a | C30H36O17 | 13.35 | 667.1880 | 667.1910 | 4.5 | 137.0538, 175.0040, 190.0277, 205.0512, 223.0617, 239.0557, 281.0668, 461.1321, and 667.1940 | Tenuifoliside B | Oligosaccharide esters |
| 9 | C29H34O16 | 13.89 | 637.1774 | 637.1793 | 2.9 | 443.1202, 461.1333, and 637.1857 | Sibiricaxanthone F | Xanthones |
| 10 a | C34H42O19 | 14.82 | 753.2248 | 753.2285 | 4.9 | 137.0542, 175.0043, 190.0273, 205.0509, 223.0617, 265.0725, 325.0940, 367.1047, 529.1602, 547.1700, and 753.2323 | 3, 6′-O-disinapoyl sucrose | Oligosaccharide esters |
| 11 | C33H40O18 | 15.14 | 723.2142 | 723.2175 | 4.6 | 137.0168, 175.0402, 205.0512, 223.0617, 265.0727, 529.1597, 547.1704, and 723.2205 | Arillanin A | Oligosaccharide esters |
| 12 | C48H82O19 | 15.28 | 1007.5421 | 1007.5453 | 3.2 | 475.3791, 637.4338, 799.4898, and 961.5449 | 20-Glc-ginsenoside Rf | PPT |
| 13 | C42H72O14 | 16.21 | 845.4893 | 845.4912 | 2.2 | 161.0455, 475.3820, 637.4375, and 799.4942 | Ginsenoside Rg1 | PPT |
| 14 a | C31H38O17 | 16.24 | 1223.3672 | 1223.3732 | 4.9 | 137.0248, 179.0358, 239.0566, 263.0570, 281.0675, 443.1214, and 681.2107 | Tenuifoliside A | Oligosaccharide esters |
| 15 a | C48H82O18 | 17.24 | 991.5472 | 991.5426 | 4.6 | 161.0459, 179.0563, 475.3813, 619.4270, 637.4374, 765.4870, 783.4975, 799.4928, and 945.5529 | Ginsenoside Re | PPT |
| 16 | C35H44O19 | 17.61 | 767.2404 | 767.2431 | 3.5 | 137.0526, 205.0510, 223.0618, 265.0725, 367.1043, 529.1589, and 767.2496 | Tenuifoliside C | Oligosaccharide esters |
| 17 | C34H42O18 | 18.14 | 737.2298 | 737.2317 | 2.5 | 121.0297, 147.0457, 305.0892, 467.1427, 615.2023, and 737.2438 | Reiniose A | Oligosaccharide esters |
| 18 | C58H92O28 | 18.79 | 1235.5702 | 1235.5746 | 4.4 | 137.0355, 337.1152, 425.3081, 455.3197, 469.1594, 555.1979, 1011.5315, 1205.5774, and 1235.5854 | Arillatanoside A | Polygala saponins |
| 19 | C62H76O35 | 20.67 | 1379.4094 | 1379.4141 | 4.6 | - | Tenuifoliose A | Oligosaccharide esters |
| 20 | C41H70O13 | 21.65 | 815.4788 | 815.4812 | 3.0 | 161.0462, 457.3706, 475.3821, 619.4274, 637.4383, and 769.4845 | Ginsenoside F3 | PPT |
| 21 | C58H98O26 | 22.06 | 1209.6274 | 1209.6325 | 4.2 | 621.4421, 783.4976, 945.5551, 1077.6001, and 1209.6475 | Ginsenoside Ra1 | PPT |
| 22 | C42H66O17 | 22.96 | 841.4227 | 841.4268 | 4.9 | 161.0463, 221.0663, 263.0773, 425.3071, 455.3171, and 841.4382 | Reinioside A | Polygala saponins |
| 23 | C41H70O13 | 23.23 | 815.4788 | 815.4805 | 2.1 | 131.0346, 475.3814, 637.4372, 769.4837, and 815.4886 | Ginsenoside F5 | PPT |
| 24 a | C54H92O23 | 23.63 | 1107.5957 | 1107.5968 | 1.0 | 179.0569, 221.0676, 621.4431, 783.4993, 945.5548, and 1107.6101 | Ginsenoside Rb1 | PPD |
| 25 | C36H62O9 | 24.12 | 683.4365 | 683.4391 | 3.8 | 391.2862, 457.3720, 475.3812, and 637.4347 | 20S Ginsenoside Rh1 | PPT |
| 26 | C42H72O13 | 24.29 | 829.4944 | 829.4958 | 1.6 | 161.0459, 375.2914, 459.3847, 621.4387, and 783.4943 | Ginsenoside F2 | PPD |
| 27 | C58H98O26 | 24.42 | 1209.6274 | 1209.6330 | 4.7 | 149.0468, 323.0994, 621.4400, 783.4999, 945.5554, 1047.5862, 1077.5993, and 1209.6489 | Ginsenoside Ra2 | PPD |
| 28 | C53H90O22 | 25.07 | 1123.5895 | 1123.5938 | 3.8 | 149.0452, 621.4389, 765.4833, 783.4935, 915.5386, 945.5481, and 1077.5908 | Ginsenoside Rc | PPD |
| 29 | C36H62O9 | 25.28 | 683.4365 | 683.4387 | 3.2 | 161.0482, 353.1919, 391.2870, 475.3789, 553.3424, and 637.4368 | 20R Ginsenoside Rh1 | PPT |
| 30 a | C48H76O19 | 25.35 | 955.4908 | 955.4941 | 3.4 | 455.3548, 523.3813, 569.3880, 613.3786, 731.4430, 793.4433, and 955.4980 | Ginsenoside Ro | OLE |
| 31 | C53H90O22 | 25.73 | 1123.5895 | 1123.5946 | 4.5 | 783.4956, 945.5506, and 1077.5922 | Ginsenoside Rb2 | PPD |
| 32 | C53H90O22 | 26.11 | 1123.5895 | 1123.5942 | 4.2 | 783.4957, 945.5513, and 1077.5935 | Ginsenoside Rb3 | PPD |
| 33 | C36H62O9 | 27.18 | 683.4365 | 683.4362 | -0.5 | 161.0483, 391.2846, 457.3703, 475.3816, and 637.4348 | Ginsenoside F1 | PPT |
| 34 | C47H74O18 | 28.07 | 991.5472 | 991.5510 | 3.8 | 161.0464, 459.3875, 621.4428, 765.4891, 783.4992, and 945.5546 | Pseudoginsenoside RT1 | OLE |
| 35 a | C42H72O14 | 28.28 | 845.4893 | 845.4924 | 3.7 | 161.0464, 475.3814, 637.4360, and 799.4923 | Ginsenoside Rf | PPT |
| 36 | C42H66O14 | 28.88 | 793.4377 | 793.4398 | 2.3 | 455.3533, 569.3864, 613.3774, 631.3876, and 793.4420 | Zingibroside R1 | OLE |
| 37 | C30H46O7 | 30.27 | 517.3171 | 517.3177 | 1.3 | 351.2704, 367.3051, 407.2971, 411.2858, 425.3050, 469.2958, 487.3024, and 517.3221 | Presenegenin | Polygala saponins |
| 38 a | C48H82O18 | 30.89 | 991.5472 | 991.5504 | 3.2 | 179.0558, 221.0667, 323.0985, 621.4398, 783.4962, and 945.5494 | Ginsenoside Rd | PPD |
| 39 | C75H112O35 | 32.18 | 1571.6911 | 1571.6945 | 2.2 | - | Onjisaponin B | Polygala saponins |
| 40 a | C36H56O12 | 33.08 | 679.3699 | 679.3707 | 1.2 | 425.3076, 455.3189, and 679.3759 | Tenuifolin | Polygala saponins |
a
Compared with references.