Table 3 Identification of Icariin and Curcumol from ECe in positive and negative modes
Expected RT | Area | Height | Retention Time | Adduct / Charge | Formula | Precursor Mass | Fragment Mass | Component Name | Mass Error Confidence | Isotope Confidence | Library Confidence | Found At Mass | Mass Error (ppm) | Library Hit | Library Score | Isotope Ratio Difference |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11.88 | 1378000 | 386900 | 11.88 | [M + H]+ | C15H24O2 | 237.185 | N/A | Curcumol (11.877) | Green | Green | Green | 237.1851 | 1 | Curcumol | 99 | 1.5 |
10.87 | 516400 | 144700 | 10.87 | [M + H]+ | C15H24O2 | 237.185 | N/A | Curcumol (10.873) | Green | Green | Green | 237.185 | 0.5 | Curcumol | 73.9 | 2.4 |
9.96 | 281200 | 34540 | 9.97 | [M + H]+ | C15H24O2 | 237.185 | N/A | Curcumol (9.957) | Green | Yellow | Green | 237.1845 | -1.8 | Curcumol | 77.7 | 15.8 |
7.35 | 238900 | 37370 | 7.35 | [M + H]+ | C15H24O2 | 237.185 | N/A | Curcumol (7.347) | Green | Yellow | Yellow | 237.1848 | -0.3 | Curcumol | 47.5 | 6.3 |
8.6 | 31090000 | 6420000 | 8.6 | [M + H]+ | C33H40O15 | 677.244 | N/A | Icarrin (8.602) | Green | Yellow | Green | 677.243 | -1.4 | Icarrin | 51.1 | 15 |
10.02 | 2497000 | 652100 | 10.02 | [M + H]+ | C33H40O15 | 677.244 | N/A | Icarrin (10.022) | Green | Green | Green | 677.2438 | -0.3 | Icarrin | 71.8 | 1.7 |
9.29 | 1985000 | 512900 | 8.91 | [M + H]+ | C33H40O15 | 677.244 | N/A | Icarrin (9.294) | Green | Green | Green | 677.2435 | -0.8 | Icarrin | 95.9 | 4 |
10.66 | 186200 | 20720 | 10.45 | [M + H]+ | C33H40O15 | 677.244 | N/A | Icarrin (10.660) | Green | Green | Green | 677.2435 | -0.8 | Icarrin | 86.1 | 0.6 |
8.01 | 1808000 | 237800 | 8.38 | [M + H]+ | C33H40O15 | 677.244 | N/A | Icarrin (8.014) | Green | Yellow | Green | 677.2434 | -0.9 | Icarrin | 97.7 | 5.1 |
8.79 | 2984000 | 752700 | 8.59 | [M-H]- | C33H40O15.HCOOH | 721.235 | N/A | Icarrin + HCOOH (8.790) | Green | Red | Green | 721.2234 | -16 | Icarrin + HCOOH | 99.3 | Infinity |
8.27 | 2984000 | 752700 | 8.59 | [M-H]- | C33H40O15.HCOOH | 721.235 | N/A | Icarrin + HCOOH (8.267) | Green | Red | Green | 721.2234 | -16 | Icarrin + HCOOH | 99.3 | Infinity |
12.17 | 11430 | 1399 | 11.96 | [M-H]- | C33H40O15.HCOOH | 721.235 | N/A | Icarrin + HCOOH (12.170) | Green | Green | Green | 721.2273 | -10.6 | Icarrin + HCOOH | 85.8 | 4.6 |