Table 1.
UPLC-DAD-MS/MS analysis of phytochemicals in PJH
| No. | RT (min) | Formula | Adduct | Calculated (m/z) | Measured (m/z) | Error (ppm) | MS/MS (m/z) | Identifications |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.34 | C4H6N4O3 | M-H | 157.0356 | 157.0352 | −2.9312 | – | allantoin [34] |
| 2 | 2.31 | C7H6O5 | M-H | 169.0131 | 169.0128 | −1.8762 | 169.0127, 125.0227 | gallic acid [35] |
| 3 | 3.66 | C6H6O3 | M + H | 127.039 | 127.0388 | −1.3138 | 127.0388, 109.0286 | 5-hydroxymethyl-2-furaldehyde [36] |
| 4 | 4.81 | C16H24O10 | M-H | 375.1297 | 375.1290 | −1.7919 | 375.1288, 213.0756, 169.0854, 151.0745, 99.0432 | loganic acid [37] |
| 5 | 5.05 | C23H28O12 | M-H | 495.1497 | 495.1497 | 0.0952 | 495.1493, 465.1373, 333.0974, 165.0540, 137.0227 | oxypaeoniflorin [35] |
| 6 | 5.07 | C7H6O3 | M + H | 139.039 | 139.0385 | −3.2855 | 139.0386, 121.0283 | 4-hydroxybenzoic acid [36] |
| 7 | 5.09 | C17H26O11 | M + HCO2 | 451.1457 | 451.1447 | −2.1393 | 243.0865, 179.0544, 155.0333, 141.0540, 123.0431 | morroniside [37] |
| 8 | 5.47 | C9H8O4 | M-H | 179.0338 | 179.0337 | −1.1677 | 179.0335, 135.0434 | caffeic acid [37] |
| 9 | 5.49 | C24H39NO7 | M + H | 454.2799 | 454.2781 | −3.9464 | 454.2783 | fuziline [38] |
| 10 | 5.56 | C20H28O12 | M + HCO2 | 505.1552 | 505.1553 | 0.2417 | 293.0879, 233.0661, 165.0541 | paeonolide [35] |
| 11 | 5.61 | C17H26O10 | M + HCO2 | 435.1508 | 435.1496 | −0.2423 | 227.0916, 127.0378, 101.0224 | loganin [37] |
| 12 | 5.79 | C20H28O12 | M + HCO2 | 505.1563 | 505.1554 | 0.4229 | 293.0866, 165.0541 | apiopaeonoside [35] |
| 13 | 5.79 | C16H22O9 | M + HCO2 | 403.1235 | 403.1236 | 0.3444 | 357.1180, 195.0650, 179.0541, 125.0226, 81.0327 | sweroside [37] |
| 14 | 5.89 | C15H20O8 | M-H | 327.1074 | 327.1079 | 1.3319 | 327.1071, 165.0541 | paeonoside [35] |
| 15 | 6.00 | C23H28O11 | M + H | 481.1704 | 481.1687 | −3.6772 | 179.0697, 151.0749, 133.0645 | albiflorin [35] |
| 16 | 6.26 | C23H28O11 | M + HCO2 | 525.1603 | 525.1600 | −0.4438 | 449.1456, 327.1077, 165.0542, 121.0277 | paeoniflorin [35] |
| 17 | 7.72 | C24H30O14 | M-H | 541.1563 | 541.1552 | −1.9728 | 541.1540, 169.0127, 125.0226 | cornuside [37] |
| 18 | 8.45 | C31H43NO10 | M + H | 590.2960 | 590.2938 | 0.7952 | 590.2941, 540.2575 | benzoylmesaconine [38] |
| 19 | 8.68 | C9H6O2 | M + H | 147.0441 | 147.0436 | −3.1667 | 147.0436, 103.0544, 91.0545, 65.0393 | coumarin [39] |
| 20 | 10.73 | C30H32O12 | M + HCO2 | 629.1876 | 629.1862 | −0.4192 | 431.1345, 165.0542, 121.0277 | benzoyl-paeoniflorin [35] |
| 21 | 11.83 | C9H10O3 | M + H | 167.0703 | 167.0698 | −2.5769 | 167.0698 | paeonol [35] |
| 22 | 17.74 | C30H50O5 | M + HCO2 | 535.3629 | 535.3629 | −0.1426 | 535.3597, 471.3463 | alisol A [40] |
| 23 | 20.56 | C33H52O5 | M-H | 527.3731 | 527.3730 | −0.2186 | – | pachymic acid [41] |