Summary of trapped reactive metabolites of LPV
The incubation conditions of LPV were detailed in experimental procedures. All samples were analyzed by UPLC-TOFMS.
| Mass | Predicted Formula | RT (min) | Mass Error (ppm) | Identification | Code |
|---|---|---|---|---|---|
| 934.4430 | C47H64N7O11S | 5.73 | 4.8 | LPV_GSH | I |
| 934.4443 | C47H64N7O11S | 5.68 | 6.2 | LPV_GSH | II |
| 950.4378 | C47H64N7O12S | 5.81 | 4.6 | O_LPV_GSH | III |
| 950.4404 | C47H64N7O12S | 5.65 | 7.4 | O_LPV_GSH | IV |
| 950.4346 | C47H64N7O12S | 5.11 | 1.3 | O_LPV_GSH | V |
| 950.4398 | C47H64N7O12S | 5.00 | 5.2 | O_LPV_GSH | VI |
| 964.4189 | C47H62N7O13S | 4.66 | 6.5 | 2O_LPV_GSH (−2H) | VII |
| 966.4221 | C47H64N7O13S | 5.03 | −6.3 | 2O_LPV_GSH | VIII |
| 980.4088 | C47H62N7O14S | 4.70 | 1.3 | 3O_LPV_GSH (−2H) | IX |
| 980.4104 | C47H62N7O14S | 4.78 | 3.0 | 3O_LPV_GSH (−2H) | X |
| 444.1468 | C18H26N3O8S | 3.22 | 6.1 | O_DMP_GSH | XI |
| 444.1460 | C18H26N3O8S | 2.98 | 4.3 | O_DMP_GSH | XII |
| 580.3259 | C30H42N7O5 | 4.99 | 2.1 | LPV_aldehyde_semicarbazide | LPV_hydrazone_1 |
| 578.3099 | C30H40N7O5 | 4.58 | 1.4 | LPV_aldehyde_semicarbazide (−2H) | LPV_hydrazone_2 |
| 594.3040 | C30H4N7O6 | 4.74 | 0.5 | O_LPV_aldehyde_semicarbazide (−2H) | LPV_hydrazone_3 |
RT, retention time; O, monohydroxylated; 2O, dihydroxylated; 3O, trihydroxylated; −2H, dehydrogenated.