Table 1.
Identified compounds in WLT by UPLC-Q-TOF/MS analysis.
| No. | Rt (min) | Adducts | Measured m/z | Expected m/z | Mass error (ppm) | Formula | Compound identification | MS/MS fragment ions | Origins | References |
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 5.49 | [M-H]− | 577.1379 | 577.1352 | 4.8 | C30H26O12 | Procyanidin B2 | 577.1337; 425.0909; 407.0802; 289.0715; 125.0245 | Grape Seed | [59] |
| 2 | 6.19 | [M-H]− | 495.1511 | 495.1508 | 0.6 | C23H28O12 | Oxypaeoniflorin | 495.1516; 137.0236 | White Peony | b |
| 3 | 6.57 | [M-H]- | 289.0738 | 289.0718 | 1.7 | C15H14O6 | Catechin | 289.0717; 245.0826; 203.0684 | Grape Seed | b |
| 4 | 9.80 | [M+HCOO]− | 525.1627 | 525.1614 | 2.5 | C23H28O11 | Alibiflorin | 525.1608; 479.1552; 283.0826; 121.0292; 77.0390 | White Peony | b |
| 5 | 11.87 | [M+HCOO]− | 525.1623 | 525.1614 | 1.8 | C23H28O11 | Paeoniflorin | 525.1639; 479.1543; 449.1444; 431.1333; 327.1076; 165.0290; 121.0290; 77.0391 | White Peony | b |
| 6 | 21.15 | [M-H]− | 301.0002 | 301.9990 | 4.0 | C14H6O8 | Ellagic acid | 300.9976; 216.0066; 172.0277; 145.0294 | Grape Seed | b |
| 7 | 22.13 | [M-H]− | 631.1685 | 631.1668 | 2.6 | C30H32O15 | Galloylpaeoniflorin | 631.1653; 509.1293; 491.1138; 465.1376; 313.0560; 271.0382; 169.0141 | White Peony | b |
| 8 | 27.19 | [M-H]− | 939.1144 | 939.1109 | 3.7 | C41H32O26 | 1,2,3,4,6-O-Pentagalloylglucose | 939.1149; 769.0946; 617.0835; 431.0600 | White Peony | b |
| 9 | 27.77 | [M-H]− | 631.1683 | 631.1668 | 2.3 | C30H32O15 | 4-O-Galloylalbiflorin | 631.1645; 169.0129; 121.0286 | White Peony | b |
| 10 | 37.27 | [M+HCOO]− | 629.1893 | 629.1876 | 2.7 | C30H32O12 | Benzoylpaeoniflorin | 629.1875; 583.1810; 553.1707; 535.1593; 431.1332; 165.0560; 121.0294; 77.0397 | White Peony | b |
| 11 | 37.41 | [M-H]− | 983.456 | 983.4493 | 6.8 | C48H72O21 | Licorice-saponin A3 | 983.4519; 863.4062; 821.4005; 351.0552 | Licorice | [10] |
| 12 | 37.62 | [M+HCOO]− | 629.1897 | 629.1876 | 3.4 | C30H32O12 | Benzoylalbiflorin | 629.1880; 583.1829; 553.1720; 387.1096; 121.0291; 77.0395 | White Peony | b |
| 13 | 38.65 | [M-H]− | 837.397 | 837.3914 | 6.7 | C42H62O17 | Yunganoside K2 | 837.3866; 351.0548 | Licorice | [60] |
| 14 | 40.6 | [M-H]− | 837.3954 | 837.3914 | 4.7 | C42H62O17 | Licorice-saponin G2 | 837.3909; 351.0600; 193.0324 | Licorice | [60] |
| 15 | 41.95 | [M-H]− | 837.396 | 837.3914 | 5.5 | C42H62O17 | Isomer of Licorice-saponin G2 | 837.3797; 533.6829; 351.0524 | Licorice | [60] |
| 16 | 42.42 | [M-H]− | 837.3967 | 837.3914 | 6.3 | C42H62O17 | Isomer of Licorice-saponin G2 | 837.3798; 351.0520 | Licorice | [60] |
| 17 | 42.86 | [M-H]− | 821.4002 | 821.3965 | 4.5 | C42H62O16 | Glycyrrhizic acid | 821.3930; 351.0544 | Licorice | b |
| 18 | 44.38 | [M-H]− | 807.4212 | 807.4172 | 4.9 | C42H64O15 | Licorice-saponin B2 | 807.4032; 351.0560 | Licorice | [61] |
| 19 | 45.21 | [M-H]− | 821.3996 | 821.3965 | 3.8 | C42H62O16 | Licorice-saponin H2 | 821.3963; 351.0555 | Licorice | [61] |
| 20 | 45.94 | [M-H]− | 823.4169 | 823.4122 | 5.8 | C42H64O16 | Licorice-saponin J2 | 823.3996; 351.0522 | Licorice | [61] |
| 21 | 46.11 | [M-H]− | 821.4019 | 821.3965 | 6.6 | C42H62O16 | Isomer of glycyrrhizic acid | 821.3855; 351.0505 | Licorice | [61] |
| 22 | 47.04 | [M+HCOO]− | 823.4173 | 823.4122 | 6.2 | C41H62O14 | Apioglycyrrhizin or Araboglycyrrhizin | 823.3987; 777.3985; 351.0657; 175.0220 | Licorice | [62] |
bIdentified by standard references.