Table S4.
Peak number | Retention time (min) | Compound | Molecular formula | Molecular weight (MW) | Measured value | Error value (ppm) | Matching score | Adduction |
---|---|---|---|---|---|---|---|---|
1 | 10.633 | Liquiritin | C21H22O9 | 418.3940 | 417.1185 | −1.44 | 91.84 | [M−H]− |
2 | 12.758 | Tectoridin | C22H22O11 | 462.4035 | 461.1089 | 0.00 | 96.79 | [M−H]− |
3 | 39.25 | Luteolin | C15H10O6 | 286.23 | 285.0402 | −1.05 | 89.06 | [M−H]− |
4 | 44.243 | Aloe-emodin | C15H10O5 | 270.23 | 271.3651 | 2.41 | 87.80 | [M+H]+ |
5 | 45.598 | Rhein | C15H8O6 | 284.22 | 283.0246 | −0.71 | 89.20 | [M−H]− |
6 | 64.0553 | Emodin | C15H10O5 | 270.23 | 269.0447 | −2.97 | 92.08 | [M−H]− |
7 | 74.158 | Chrysophanol | C15H10O4 | 254.23 | 253.0498 | −3.16 | 90.23 | [M−H]− |
8 | 78.692 | Physcion | C16H12O5 | 284.27 | 283.0606 | −2.12 | 82.12 | [M−H]− |
Abbreviations: MS, mass spectrometry; HGF, Huang Gan formula.