Metabolite | [M + NH4]+/[13C6-M + NH4]+ | Characteristic Fragment Ions from Unlabeled (12C) Drug-Related Compounds | Metabolic Pathways | Species/Samples |
---|---|---|---|---|
Parent drug (P) | 863/869 | 790, 746, 585, 567, 525, 509, 449, 387, 327, 309, 262, 206 | N.A. | Rat/plasma, urine, feces; dog/plasma, urine, feces |
M3 (hippuric acid) | 197 | 105, 77 | Hippuric acid formation | Rat/plasma, urine, feces; dog/urine, feces |
M6 | 682/688 | 665, 647, 503, 457, 419, 361, 353, 337, 307, 151 | Hydrolysis, dihydroxylation, methoxide formation | Rat/feces; dog/feces |
M8 | 652/658 | 636, 599, 557, 539, 401, 361, 343, 121 | Hydrolysis, dihydroxylation | Rat/feces |
M9 | 622/628 | 604, 569, 527, 509, 423, 405, 389, 369, 105 | Hydrolysis, reduction | Rat/feces; dog/feces |
M10 | 636/642 | 559, 541 | Hydrolysis, monohydroxylation | Rat/feces, plasma; dog/feces |
M13 (baccatin III) | 620/626 | 543, 525, 467, 449, 405, 345, 327, 105 | Oxidation-mediated hydrolysis | Rat/plasma, urine, feces; dog/plasma, urine, feces |
M13C | 620/626 | 525, 449, 345, 309 | Hydrolysis | Rat/plasma, urine, feces; Dog/plasma, urine, feces |
M14 | 895/901 | 860, 569, 509, 291 | Dihydroxylation | Rat/feces |
M15A | 891/897 | 567, 525, 431, 327 | Hydroxylation, oxidation and cyclization on the C13-side chain | Rat/feces; dog/feces |
M17 | 879/885 | 585, 525, 327 | Monohydroxylation | Rat/feces, plasma; dog/feces |
M18 | 895/901 | 879, 583, 541, 343 | Dihydroxylation | Rat/feces |
M19 | 879/885 | 585, 525, 509, 449, 387, 327 | Monohydroxylation | Rat/feces, plasma; dog/feces |
M19B | 877/883 | 585, 525, 509, 309, 105 | Dioxygenation, loss of 2 hydrogens | Rat/feces, plasma, urine; dog/feces, urine |
M20 | 877/883 | 585, 567, 525, 387 | Oxidation and cyclization on the C13-side chain | Rat/plasma, urine, feces; dog/urine, feces |
M20B | 877/883 | 804, 585, 567, 525 | Oxidation and cyclization on the C13-side chain | Rat/plasma, urine, feces |
M21 | 875/881 | 585, 525, 449, 327, 309 | Cyclic lactone formation from oxidation/cyclization of the 3′-tert-butyl group | Rat/plasma, urine, feces; dog/plasma, urine, feces |
M21B | 875/881 | 567, 507, 345, 105 | Oxidation and cyclization on the C13-side chain | Dog/plasma, urine, feces |
M22 | 893/899 | 585, 525, 449, 387, 345, 236, 192 | Oxidation of one of the methyl groups on the 3′-tert-butyl to form the carboxylic acid derivative | Rat/plasma, urine, feces; dog/plasma, urine, feces |
M23 | 879/885 | 585, 567, 525, 445, 369, 278, 260, 206 | Monohydroxylation on the C13-side chain | Rat/plasma, urine, feces; dog/urine, feces |
M24 | 893/899 | 585, 525 | Oxidation of one of the methyl groups on the 3′-tert-butyl to form the carboxylic acid derivative | Rat/plasma, feces; dog/plasma, urine, feces |
M23B | 879/885 | 583, 541, 465, 403, 325, 206 | Monohydroxylation | Rat/urine, feces; dog/urine, feces |
M23C | 879/885 | 567, 541, 309, 278 | Monohydroxylation | Rat/feces, dog/feces |
M23D | 879/885 | 541, 525, 403, 325, 206 | Monohydroxylation | Rat/plasma, feces, dog/feces |
M26 | 821/827 | 543, 525, 345, 327, 309, 262, 206, 162 | Deacetylation | Rat/plasma |
M27 | 863/869 | 543, 525, 405, 269, 206, 105 | Epimerization (C7) | Rat/plasma |
M28 | 893/899 | 601, 541 | Dioxygenation, loss of 2 hydrogens | Rat/feces, dog/feces |
M29 | 893/899 | 585, 567, 525 | Dioxygenation, loss of 2 hydrogens | Rat/feces, dog/feces |
M30 | 891/897 | 525, 449, 327 | Dioxygenation, loss of 4 hydrogens | Rat/feces, dog/feces |
M31 | 893/899 | 567, 507 | Dioxygenation, loss of 2 hydrogens | Rat/feces, dog/feces |
M32 | 879/885 | 746, 567, 525, 345, 327 | Monohydroxylation of the C13-side chain | Rat/plasma, urine, feces; dog/urine, feces |
N.A., not applicable.