TABLE 1.
UPLC-Q-TOF-MS analysis of CR-PLR decoction.
| No. | Retention time/min | Molecule | Theoretical molecular weight (m/z) | Measured molecular weight (m/z) | Mode | Name | Secondary fragment ions (m/z) | Source |
|---|---|---|---|---|---|---|---|---|
| 1 | 0.68 | C10H8O2 | 159.0446 | 159.0289 | Negative | 6-Methylcoumarin | 145.0126, 117.0196 | CR |
| 2 | 0.82 | C10H8O3 | 175.0395 | 175.0641 | Negative | 7-Methoxycoumarin | 161.0432 | CR |
| 3 | 1.06 | C9H10O | 133.0653 | 133.0139 | Negative | Cinnamyl alcohol | 115.0033 | CR |
| 4 | 1.46 | C9H6O4 | 177.0188 | 177.0383 | Negative | 6,7-Dihydroxycoumarin | 149.0088 | CR |
| 5 | 1.67 | C7H6O5 | 169.0137 | 169.0141 | Negative | Gallic acid | 125.0235 | CR |
| 6 | 3.20 | C10H12O2 | 163.0759 | 163.0382 | Negative | Eugenol | 133.0139 | CR |
| 7 | 4.22 | C9H8O4 | 179.0344 | 179.0303 | Negative | Caffeic acid | 161.0382 | PLR |
| 8 | 7.16 | C27H30O14 | 577.1557 | 577.1541 | Negative | Puerarin-4′-O-β-D-glucopyranoside | 457.1148 | PLR |
| 9 | 8.33 | C7H6O4 | 153.0188 | 153.0191 | Negative | 3,4-Dihydroxybenzoic acid | 109.0290 | CR |
| 10 | 8.59 | C21H20O10 | 431.0978 | 431.0922 | Negative | Genistein-8-c-glycoside | 269.0461, 151.0399 | PLR |
| 11 | 10.44 | C21H20O9 | 415.1029 | 415.1112 | Negative | Puerarin | 397.2246, 379.0806, 361.1142, 349.0616, 319.1541, 295.0581, 277.0329 267.0648 |
PLR |
| 12 | 10.91 | C9H8O2 | 147.0446 | 147.0446 | Negative | Cinnamic acid | 129.0536, 101.0592 | CR |
| 13 | 11.06 | C22H22O10 | 445.1135 | 445.1101 | Negative | 3′-Methoxypuerarin | 223.0446, 308.0649 | PLR |
| 14 | 11.26 | C26H28O13 | 547.1452 | 547.1494 | Negative | Puerarin apioside | 486.3486, 293.1779 | PLR |
| 15 | 16.29 | C22H22O9 | 429.1186 | 429.1133 | Negative | 4′-Methoxypuerarin | 267.0648, 307.0596 | PLR |
| 16 | 16.65 | C15H10O4 | 253.0501 | 253.0455 | Negative | Daidzein | 224.0479, 208.0687 | PLR |
| 17 | 20.23 | C20H22O6 | 357.1338 | 357.1012 | Negative | Pinoresinol | 339.2005, 309.1718, 203.0206 | CR |
| 18 | 0.78 | C9H8O | 133.0653 | 133.0626 | Positive | Cinnamaldehyde | 105.1120 | CR |
| 19 | 0.87 | C7H6O3 | 139.0395 | 139.0387 | Positive | Protocatechuic aldehyde | 121.0311 | CR |
| 20 | 7.16 | C27H30O14 | 579.1714 | 579.1715 | Positive | Daidzein-4′,7-diglucoside | 338.1171, 205.0915 | PLR |
| 21 | 12.47 | C21H20O9 | 417.1186 | 417.1209 | Positive | Daidzin | 255.0461, 132.9011 | PLR |