TABLE 1
Metabolite data for flumatinib in human plasma, urine, and feces after oral administration
| Metabolite | Proposed Formula | Proposed Chemical Structure | Retention Time | M+H+a (M+H+)b | Fragment Ions |
|---|---|---|---|---|---|
| min | |||||
| Flumatinib M0 | C29H29F3N8O |  | 19.2 (P, U, F) | 563.248 (563.250) | 463.150, 449.132, 263.103, 262.102, 156.056 |
| M1 | C28H27F3N8O |  | 19.1 (P, U, F) | 549.234 (549.234) | 463.149, 449.134, 263.105, 262.102 |
| M2-1 | C29H29F3N8O2 |  | 16.2 (P, U, F) | 579.245 (579.244) | 479.146, 463.148, 277.119, 263.105, 262.104 |
| M2-2 | C29H29F3N8O2 |  | 16.4 (F) | 579.244 (579.244) | 479.147, 279.093 |
| M2-3 | C29H29F3N8O2 |  | 17.0 (F) | 579.246 (579.244) | 479.142, 279.108 |
| M2-4 | C29H29F3N8O2 |  | 17.6 (P, U, F) | 579.248 (579.244) | 519.230, 479.146, 279.096, 278.101 |
| M2-5 | C29H29F3N8O2 |  | 18.4 (U, F) | 579.247 (579.244) | 479.143, 279.093 |
| M2-6 | C29H29F3N8O2 |  | 18.5 (U, F) | 579.247 (579.244) | 479.142, 463.147, 263.108, 262.108 |
| M2-7 | C29H29F3N8O2 |  | 19.6 (P, U, F) | 579.245 (579.244) | 479.147, 293.113, 279.101, 278.103 |
| M2-8 | C29H29F3N8O2 |  | 20.2 (U, F) | 579.245 (579.244) | 561.234, 462.140, 277.107 |
| M2-9 | C29H29F3N8O2 |  | 21.3 (P, U, F) | 579.244 (579.244) | 492.178, 464.160, 263.104, 116.052 |
| M3 | C14H17F3N2O2 |  | 11.0 (P, U) | 303.132 (303.132) | 258.078, 203.032, 175.037, 100.100 |
| M4 | C15H14N6 |  | 5.8 (P, U) | 279.136 (279.136) | 262.111, 250.109, 235.099, 173.084, 156.058, 105.047, 78.035 |
| M5 | C13H15F3N2O2 |  | 10.5 (P, U) | 289.112 (289.116) | 203.033, 175.037, 85.078 |
| M6 | C14H17F3N2O3 |  | 15.2 (P, U) | 319.126 (319.127) | 301.115, 258.076, 203.030, 175.039 |
| M7 | C14H15F3N2O3 |  | 7.6 (U) | 317.113 (317.111) | 289.120, 271.058, 246.070, 203.037, 175.035 |
| M8-1 | C15H14N6O |  | 6.0 (U) | 295.132 (295.131) | 278.118, 105.053 |
| M8-2 | C15H14N6O |  | 6.7 (U) | 295.131 (295.131) | 277.121, 263.106, 262.108 |
| M8-3 | C15H14N6O |  | 7.0 (P, U) | 295.131 (295.131) | 278.113, 277.121, 250.110, 173.084, 156.056 |
| M9 | C15H14N6O2 |  | 7.1 (U) | 311.126 (311.126) | 277.118, 266.105, 250.110 |
| M10 | C17H16N6O |  | 8.1 (P, U) | 321.148 (321.146) | 279.137, 262.109, 235.098 |
| M11 | C20H25F3N2O8 |  | 8.2 (U) | 479.163 (479.164) | 303.131, 203.030, 100.100, 58.066 |
| M12 | C28H25F3N8O2 |  | 22.7 (U, F) | 563.214 (563.213) | 463.155 |
| M13 | C28H27F3N8O2 |  | 16.0 (U, F) | 565.225 (565.229) | 547.226, 173.055 |
| M14 | C29H27F3N8O2 |  | 20.2 (P, U) | 577.229 (577.229) | 549.271, 463.150, 277.138, 263.106 |
| M15-1 | C29H29F3N8O3 |  | 18.1 (U) | 595.239 (595.239) | 577.232, 492.170, 463.150, 263.105 |
| M15-2 | C29H29F3N8O3 |  | 17.5 (F) | 595.242 (595.239) | |
| M16-1 | C35H37F3N8O7 |  | 11.8 (U) | 739.283 (739.282) | 563.246, 464.157, 263.106 |
| M16-2 | C35H37F3N8O7 |  | 18.5 (P, U) | 739.289 (739.282) | 563.249, 464.157 |
| M17 | C34H35F3N8O7 |  | 11.7 (U) | 725.267 (725.266) | 549.241 |
| M18-1 | C35H37F3N8O8 |  | 13.3 (U) | 755.280 (755.277) | 579.246, 479.145, 279.096 |
| M18-2 | C35H37F3N8O8 |  | 15.9 (U) | 755.267 (755.277) | 561.241, 479.142, 463.147, 263.107, 262.101 |
| M18-3 | C35H37F3N8O8 |  | 17.3 (U) | 755.270 (755.277) | 579.244, 479.141, 279.094 |
| M19 | C34H35F3N8O8 |  | 12.8 (U) | 741.269 (741.261) | 565.228, 479.146, 279.100 |
| M20 | C30H29F3N8O2 |  | 19.5 (F) | 591.244 (591.244) | 549.235, 463.151, 263.105 |