Table 1. Markers Information for the Active Fractions Were Found Using the S-Plot Model of Supervised Orthogonal Partial Least Squares Discriminate Analysis.
| marker no. | retention time(min) | mass [M + H]+(m/z) | VIP valuea |
|---|---|---|---|
| 1 | 4.96 | 397.07 | 14.48 |
| 2 | 4.01 | 411.09 | 12.91 |
| 3 | 3.90 | 411.08 | 11.68 |
| 4 | 5.75 | 355.05 | 11.60 |
| 5 | 4.96 | 341.05 | 8.49 |
| 6 | 5.11 | 397.07 | 7.79 |
| 7 | 3.89 | 397.07 | 7.58 |
| 8 | 4.48 | 427.07 | 6.63 |
| 9 | 3.31 | 427.06 | 6.39 |
| 10 | 4.06 | 429.08 | 6.24 |
| 11 | 4.48 | 409.06 | 5.61 |
| 12 | 4.30 | 427.07 | 5.08 |
| 13 | 5.02 | 465.09 | 4.97 |
| 14 | 4.76 | 271.05 | 4.70 |
| 15 | 4.02 | 355.05 | 4.56 |
| 16 | 4.56 | 397.07 | 4.42 |
| 17 | 4.99 | 411.08 | 4.34 |
a
Variable importance for the projection (VIP) was obtained from OPLS-DA with a threshold of 1.0. The VIP plot is sorted from high to low and shows confidence intervals for the VIP values, normally at the 95% level.