Table 3
Summary of key mass spectrometry fragmentation for delavirdine and its metabolites
| Compound | Matrix | Ionization3-aMode | MH+ or M+ | Fragments (m/z)3-b | ||||
|---|---|---|---|---|---|---|---|---|
| A | B | C | D | E | ||||
| DLV | Plasma | EI | 456 | 136 | — | 220 | 248 | 378 |
| DLV3-c | Urine | CI, ESI | 457, 460 | 1373-d | — | — | — | — |
| MET-23-c | Urine | CI | 323, 326 | — | — | 87 | — | — |
| MET-53-c | Urine | CI, ESI | 415, 418 | — | 323, 3263-d | 179 | 207, 2083-d | 337, 3403-d |
| MET-5 | Urine | CI | 415 | 95 | 323 | 179 | 207 | 337 |
| MET-5 | Plasma | EI | 414 | 93 | 321 | 178 | — | 336 |
| MET-73-c | Urine | CI | 473, 476 | 153 | 323, 326 | — | — | — |
| MET-103-c | Urine | EI | 254, 257 | — | — | — | — | 175, 178 |
| MET-12 | Urine | CI, ESI | 221 | 1373-d | — | — | — | — |
| MET-13 | Urine | CI | 179 | — | — | — | — | — |
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↵3-a CI, chemical ionization; EI, electron ionization; ESI, electrospray ionization.
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↵3-b Some fragments are not observed due to the structure of the compound or because of low concentrations.
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↵3-c Doublets 3 amu apart due to the presence of fragments containing 13C3; fragments containing two or one 13C carbons gave doublets 2 or 1 amu apart, respectively; fragments with no 13C atoms gave singlets.
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↵3-d Not observed by ESI.