TABLE 1.
Identified compound candidates in MDP5.
| Identified compound candidates | Formula | Observed m/z | Expected RT (min) | a Signal counts | b Relative % |
|---|---|---|---|---|---|
| (+)-Catechin-7-O-b-glucopyranoside | C22H26O10 | 449.1454 | 4.7 | 3,414,313.2 | 5.6365 |
| 1,2,3,4,6-Penta-O-galloyl-b-D-glucose | C41H32O26 | 939.1116 | 4.54 | 679,457 | 1.1217 |
| 2,5-Dihydroxy-4-methoxyacetophenone | C8H8O3 | 151.0398 | 5.27 | 75,103.6 | 0.1240 |
| 30-Norhederagenin | C29H44O4 | 455.3165 | 7.55 | 760,276.3 | 1.2551 |
| 3-Hydroxy-4-methoxyacetophenone | C9H10O3 | 165.0555 | 5.7 | 186,266.2 | 0.3075 |
| 3-Hydroxy-4-methoxybenzoic acid | C8H8O4 | 167.0343 | 4.89 | 1,301.2 | 0.0021 |
| 4-O-methylbenzoyloxypaeoniflorin | C31H34O13 | 613.193 | 5.96 | 29,111.4 | 0.0481 |
| 4-O-methylgalloyloxypaeoniflorin | C31H34O16 | 661.1773 | 4.97 | 91,537.3 | 0.1511 |
| 4-O-methyloxypaeoniflorin | C24H30O12 | 509.1652 | 5.37 | 84,687.3 | 0.1398 |
| 6-O-Vanillyoxypaeoniflorin | C31H34O15 | 645.183 | 5.53 | 56,701.7 | 0.0936 |
| Benzoic acid | C7H6O2 | 121.0293 | 5.55 | 8,299.3 | 0.0137 |
| Catechin | C15H14O6 | 289.0715 | 3.91 | 147,706.6 | 0.2438 |
| Epicatechin-3-O-gallate | C22H18O10 | 441.0825 | 4.48 | 47,735.8 | 0.0788 |
| Gallic acid | C7H6O5 | 169.0138 | 3.07 | 1,109,639.4 | 1.8318 |
| Gallicin | C8H8O5 | 183.0293 | 4.23 | 1,830,077.4 | 3.0211 |
| Galloyloxypaeoniflorin | C30H32O16 | 647.1616 | 4.38 | 1,749,434.7 | 2.8880 |
| Hederagenin | C30H48O4 | 471.3479 | 7.78 | 888,149.9 | 1.4662 |
| Iriflophenone 2-O-b-D-glucopyranoside | C19H20O10 | 407.0987 | 3.81 | 5,503.3 | 0.0091 |
| Kaempferol | C15H10O6 | 285.0402 | 6.1 | 4,051.4 | 0.0067 |
| Mudanpioside C | C30H32O13 | 599.1771 | 5.52 | 9,946,953.8 | 16.4207 |
| Mudanpioside E | C24H30O13 | 525.1615 | 4.7 | 7,908,329.7 | 13.0553 |
| Mudanpioside H | C30H32O14 | 615.172 | 5.05 | 1,238,160.5 | 2.0440 |
| Mudanpioside I | C23H28O11 | 479.1558 | 4.7 | 1,615,863.1 | 2.6675 |
| Mudanpioside J | C31H34O14 | 629.1877 | 5.9 | 14,513,083.7 | 23.9586 |
| Oxo-acetic acid 2-ethoxy-4-(3-hydroxy-2-oxopropyl) phenyl ester | C13H14O6 | 265.0713 | 5.63 | 1,044.6 | 0.0017 |
| Oxypaeoniflorin | C23H28O12 | 495.1507 | 4.01 | 2,053,954 | 3.3907 |
| Paeoniflorigenone | C17H18O6 | 317.103 | 4.69 | 2,514.3 | 0.0042 |
| Paeoniside B | C30H32O15 | 631.1667 | 4.88 | 7,623,244.3 | 12.5847 |
| Palbinone | C22H30O4 | 357.207 | 6.44 | 69,722.3 | 0.1151 |
| p-Hydroxybenzoic acid | C7H6O3 | 137.0242 | 5.74 | 27,439.7 | 0.0453 |
| Quercetin | C15H10O7 | 301.0354 | 5.75 | 7,791.9 | 0.0129 |
| Suffrupaeoniflorin A | C36H42O18 | 761.2307 | 5.69 | 10,002.9 | 0.0165 |
| Suffruticoside D | C27H32O16 | 611.1621 | 4.67 | 3,525,404.6 | 5.8198 |
| trans-Caffeic acid stearyl ester | C27H44O4 | 431.3175 | 8.4 | 5,041.3 | 0.0083 |
| Trigalloyl-glucoses | C27H24O18 | 635.0889 | 4.22 | 165,258.7 | 0.2728 |
| Ursolic acid | C30H48O3 | 455.3532 | 8.57 | 692,413.6 | 1.1431 |
a
Integration of LC-MS, peak area of extracted ion chromatograms with theoretical m/z ±16.8 ppm from compound compositions.
b
The percentage calculated by the relative signal counts to the sum of signal counts from all identified candidates.