MS/MS fragmentation data of temsirolimus and its major metabolites
Metabolite | [M-H]−m/z | Fragment Ions, m/z | ||
|---|---|---|---|---|
| Northern Ions | Southern Ionsa | |||
| Temsirolimus | 1028.7 | 437, 407, 389, 371 | 590, 546, 528, 514, 496 (group 1) | |
| 261, 229, 147, 101 (group 2) | ||||
| 252, 234, 168, 128 (group 3) | ||||
| M8 | 1044.6 | 437, 407, 389, 371 | 606, 562, 544, 530, 512 (group 1) | |
| 277, 259, 245, 227, 163, 101 (group 2) | ||||
| 252, 234, 168, 128 (group 3) | ||||
| M9 | 1044.6 | 437, 407, 389, 371 | 606, 562, 544, 530, 512 (group 1) | |
| 277, 259, 245, 227, 147, 101 (group 2) | ||||
| 252, 234, 168, 128 (group 3) | ||||
| 504, 472, 175 (unique group) | ||||
| M10 | 1044.6 | 437, 407, 389, 371 | 606, 562, 544, 530 (group 1) | |
| 261, 229, 147, 101 (group 2) | ||||
| 168, 128 (group 3) | ||||
| 321, 289, 240, 196 (unique group) | ||||
| M11 | 1044.6 | 437, 407, 389, 371 | 606, 562, 544, 530 (group 1) | |
| 261, 229, 147, 101 (group 2) | ||||
| 168, 128 (group 3) | ||||
| 321, 289, 240, 196 (unique group) | ||||
| M12 | 1044.6 | 437, 407, 389, 371 | 606, 562, 544, 530, 512 (group 1) | |
| 261, 229, 147, 101 (group 2) | ||||
| 268, 250, 184, 168, 144, 128 (group 3) | ||||
| M13 | 1014.6 | 437, 407, 389, 371 | 576, 532, 514, 500, 482 (group 1) | |
| 247, 229, 147, 87 (group 2) | ||||
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| 252, 234, 168, 128 (group 3) | |
↵ a Numbers in boldface are the m/z values of key fragment ions used in structural elucidation.