Summary of retention times, quasi-molecular ions, MS/MS product ions and predicted molecular formula for metabolites identification of PPT-type ginsenosides
| Compounds | TR | [M − H]− | MS/MS Fragment Ions | Predicted Molecular Formula |
|---|---|---|---|---|
| min | ||||
| Rg2 | 11.9 | 783.4893 | 637.4269, 619.4161, 475.3762, 457.3663, 391.2838 | C42H72O13 |
| M1 | 7.2 | 799.4844 | 653.424, 635.4182, 491.3714, 391.2878 | C42H72O14 |
| M2 | 8.4 | 799.4844 | 653.4249, 635.4108 | C42H72O14 |
| M3 (RF11)a | 10.9 (10.9) | 799.4844 (799.4836) | 653.4254 (653.4245), 635.4121 (635.4121), 491.3677 (491.3737), 415.3156 (415.3156) | C42H72O14 |
| Rf | 10.9 | 799.4775 | 637.4201, 619.4103, 475.3714, 457,3578, 391.2792, 389.2688 | C42H72O14 |
| M1 | 6.2 | 815.4762 | 653.4133, 491.3642, 391.2772 | C42H72O15 |
| M2 | 7.4 | 815.4762 | 653.4157, 491.3661 | C42H72O15 |
| M3 | 9.9 | 815.4762 | 653.4112, 491.3661 | C42H72O15 |
| Rh1 | 12.3 | 637.4309 | 475.3795, 457.3684, 391.2869 | C36H62O9 |
| M1 | 7.2 | 653.4262 | 491.3711, 391.2872 | C36H62O10 |
| M2 | 8.5 | 653.4262 | 491.3761 | C36H62O10 |
| M3 (RT5) | 11.2 (11.2) | 653.4262 (653.4275) | 491.3767 (491.3754), 415.3156 (415.3156) | C36H62O10 |
| PPT | 19.8 | 475.3719 | 457.3604, 391.2788, 373.2627 | C30H52O4 |
| M1-1 | 12.7 | 491.3675 | 415.3138, 403.3146, 397.3026, 395.2917, 391.2771 | C30H52O5 |
| M1-2 | 14.1 | 491.3675 | 473.3514, 455.3420, 391.2782, 373.2652, 371.2572 | C30H52O5 |
| M1-3 | 15.6 | 491.3675 | 473.3578, 455.3514, 391.2779 | C30H52O5 |
| M2-1 | 9.8 | 507.3616 | 489.3486, 471.3360, 431.3022, 429.3219, 391.2768 | C30H52O6 |
| M2-2 | 10.3 | 507.3616 | 489.3484, 431.3055, 391.2784 | C30H52O6 |
| M2-3 | 12.2 | 507.3616 | 431.3022, 403.3128 | C30H52O6 |
MS/MS, selected MS2 scan in ion-trap; TR, retention time.
↵a Data in parentheses were obtained from the study of authentic standards RF11 and RT5.