Table 1.
No. | Formula | tR (min) | Experimental m/z | ppm Error | Source | Pathway |
---|---|---|---|---|---|---|
Parent | C42H70O12 | 5.95 | 767.4914 | −3 | FP | 1 |
M1 | C42H70O13 | 11.31 | 783.4855 | −4.4 | P | 1 |
M2 | C48H78O18 | 4.3 | 943.5231 | −3.1 | U | 2 |
M3 | C42H68O11 | 12.05 | 749.4838 | 0.5 | F | 1 |
M4 | C36H60O7 | 7.38 | 605.4374 | −3.5 | F, P, R | 1 |
M5 | C36H60O8 | 4.87 | 621.4351 | 4.87 | R | 1 |
M6 | C36H58O6 | 7.38 | 587.4283 | −3.9 | F | 1 |
M7 | C36H60O6 | 11.2 | 589.446 | −0.5 | F | 1 |
M8 | C42H68O12 | 4.84 | 765.4757 | −3.5 | F, R | 2 |
M9 | C48H76O18 | 4.64 | 941.5082 | −2.3 | U | 2 |
M10 | C30H50O2 | 10.69 | 443.3886 | 0.5 | F, R | 1 |
M11-1 | C30H50O3 | 8.2 | 459.3818 | −3.2 | F | 1 |
M11-2 | C30H50O3 | 6.33 | 459.3817 | −3.5 | F | 1 |
M11-3 | C30H50O3 | 9.01 | 459.3817 | −3.4 | F | 1 |
M12-1 | C30H48O | 10.51 | 425.3768 | −2.4 | F, | 1 |
M12-2 | C30H48O | 5.98 | 425.3771 | −1.7 | F, | 1 |
M13-1 | C29H48O2 | 10.54 | 429.3727 | 0 | FP | 1 |
M13-2 | C29H48O2 | 9.89 | 429.3723 | −1 | FP | 1 |
P represents the plasma samples, U the urine samples, F the feces samples and R the in vitro samples, I represents the phase I metabolic pathway and II represents the phase II metabolic pathway.