Characterization of in vivo metabolites of ganoderic acid D in rat bile by UPLC/Q-TOF
| Metabolite | Description | tRmin | Formula | Measured Mass | Calculated Mass | Fragment Ions |
|---|---|---|---|---|---|---|
| M0 | Parent | 11.3 | C30H42O7 | 513.284 | 513.285 | 495.273, 451.283, 301.180, 283.169, 247.133, 149.060 |
| M1 | Reduction | 9.9 | C30H44O7 | 515.302 | 515.301 | 497.291, 453.301, 303.196, 285.186, 249.149, 149.060 |
| M2 | Oxidation | 11.5 | C30H40O7 | 511.270 | 511.270 | 493.259, 465.321, 449.269, 434.246, 419.222, 299.166 |
| M3 | Desaturation | 11.9 | C30H40O7 | 511.270 | 511.270 | 493.259, 449.271, 285.148, 247.133, 149.060 |
| M4 | Monohydroxylation | 10.2 | C30H42O8 | 529.281 | 529.280 | 467.279, 423.216, 287.164, 247.133, 149.060 |
| M5 | Monohydroxylation | 10.1 | C30H42O8 | 529.281 | 529.280 | 467.279, 423.216, 287.164, 247.133, 149.060 |
| M6 | Monohydroxylation | 10.0 | C30H42O8 | 529.281 | 529.280 | 511.269, 301.184, 263.126, 247.133, 209.082, 181.0866, 165.093, 149.060, 137.094, 87.009 |
| M7 | Monohydroxylation | 9.8 | C30H42O8 | 529.281 | 529.280 | 493.258, 449.265, 423.253, 301.179, 247.133, 149.060, 87.008 |
| M8 | Monohydroxylation | 9.5 | C30H42O8 | 529.281 | 529.280 | 511.269, 467.280, 351.174, 317.174, 299.165, 263.128, 248.105, 149.096, 113.058 |
| M9 | Monohydroxylation | 8.9 | C30H42O8 | 529.281 | 529.280 | 511.271, 481.260, 467.283, 437.271, 317.175, 299.166, 287.166, 269.156, 233.119, 149.060 |
| M10 | Monohydroxylation | 8.7 | C30H42O8 | 529.281 | 529.280 | 511.271, 481.260, 467.283, 437.271, 317.175, 299.166, 287.166, 269.156, 233.119, 149.060 |
| M11 | Hydroxylation + desaturation | 9.2 | C30H40O8 | 527.265 | 527.265 | 509.256, 465.268, 435.259, 283.135, 233.117, 149.059, 137.097 |
| M12 | Hydroxylation + reduction | 8.9 | C30H44O8 | 531.297 | 531.296 | 469.294, 425.232, 289.179, 249.149 |
| M13 | Hydroxylation + reduction | 8.4 | C30H44O8 | 531.297 | 531.296 | 513.287, 469.299, 319.1907, 265.145, 149.060 |
| M14 | Hydroxylation + reduction | 8.3 | C30H44O8 | 531.297 | 531.296 | 513.287, 469.299, 319.1907, 265.145, 149.060 |
| M15 | Dihydroxylation | 8.4 | C30H42O9 | 545.275 | 545.275 | 501.283, 483.276, 439.211, 303.160, 285.149, 263.129, 149.059, 113.057 |
| M16 | Dihydroxylation | 8.2 | C30H42O9 | 545.275 | 545.275 | 527.263, 483.274, 439.246, 317.175, 263.122, 209.083, 181.083, 149.060, 137.099, 87.008 |
| M17 | Dihydroxylation | 8.0 | C30H42O9 | 545.275 | 545.275 | 439.247, 317.181, 263.130, 149.067, 87.008 |
| M18 | Dihydroxylation | 7.7 | C30H42O9 | 545.275 | 545.275 | 483.273, 453.259, 409.201, 303.159, 273.149, 233.114, 149.063 |
| M19 | Dihydroxylation | 7.5 | C30H42O9 | 545.275 | 545.275 | 527.263, 497.252, 317.179, 287.158, 263.126, 233.118, 209.081, 181.084, 165.091, 137.096, 87.012 |
| M20 | Dihydroxylation | 7.3 | C30H42O9 | 545.275 | 545.275 | 527.264, 333.174, 303.159, 285.151, 249.112, 149.059 |
| M21 | Trihydroxylation | 6.1 | C30H42O10 | 561.269 | 561.270 | 499.272, 487.266, 469.258, 455.210, 425.195, 289.145, 249.112, 149.060 |
| M22 | Trihydroxylation | 5.9 | C30H42O10 | 561.269 | 561.270 | 543.258, 513.244, 455.246, 303.160, 285.147, 249.111, 209.081, 181.086, 165.092, 137.101, 87.008 |
| M23 | Reduction + sulfation | 8.5 | C30H43O10 | 595.258 | 595.258 | 565.208, 479.278, 467.244, 435.290, 423.147, 285.185, 231.140, 96.960 |
| M24 | Glucuronidation | 9.6 | C36H49O13 | 689.316 | 689.317 | 495.276, 451.287, 301.181, 247.133, 193.036, 175.025, 113.024, 85.029 |
| M25 | Glucuronidation | 9.5 | C36H49O13 | 689.317 | 689.317 | 495.276, 451.287, 301.181, 247.133, 193.036, 175.025, 113.024, 85.029 |