TABLE 5
Liquid chromatography tandem mass spectrometry (LC-MS/MS) characteristics and proposed structures of ertugliflozin metabolites observed in the human mass balance study
| Compound | Observed ([M + NH4]+) | LC-MSn Fragments, m/za | Structure |
|---|---|---|---|
| Ertugliflozin | 454 | 437, 419, 329, 273, 207, 155, 135 |  |
| M1 | 470 | 435, 407, 299, 243, 215 |  |
| M2 | 426 | 409, 391, 373, 301, 207 |  |
| M3 | 470 | 453, 435, 345, 327, 207, 151, 139 |  |
| M4a | 630 | 437, 419, 329, 301, 207, 135 |  |
| M4b | 630 | 437, 419, 329, 301, 207, 135 |  |
| M4c | 630 | 437, 419, 329, 301, 207, 135 |  |
| M5a | 602 | 459, 409, 391, 301, 282, 207, 107 |  |
| M5b | 602 | 459, 409, 391, 301, 282, 207, 107 |  |
↵a Electrospray ionization source operating in the positive-ion mode.