Table 2
In vivo urinary metabolites of 4-n-NP in rat
| RT | Metabolite | Structure | [M − H]− | Fragmentation Ions |
|---|---|---|---|---|
| min | m/z | m/z | ||
| 1 | ||||
| 11.6 | para-Hydroxy benzoic acid glucuronide | 313 | 175 (a) | |
| 2 | ||||
| 13.3 | 3-(4-Hydroxyphenyl) propanol glucuronide | 327 | 175 (a) | |
| 283 (b) | ||||
| 309 (−H2O) | ||||
| 3 | ||||
| 15.9 | 3-(4-Hydroxy-phenyl)-2-propenoic acid glucuronide | 339 | 175 (a) | |
| 4 | ||||
| 17.6 | 3-(4-Hydroxy-phènyl)-2-propionic acid glucuronide | 341 | 175 (a) | |
| 5 | ||||
| 18 | para-Hydroxy benzoic acid | 137 | 93 (a) | |
| 6 | ||||
| 22,4 | Ring-hydroxylated 3-(4-hydroxyphenyl)-2-propionic acid sulfate | 261 | MS4 analysis (see Fig. 4) | |
| 7 | ||||
| 24.2 | para-Hydroxy benzoic acid sulfate | 217 | 137 (a) | |
| 173 (b) | ||||
| 8 | ||||
| 26.8 | 3-(4-Hydroxy-phenyl)-2-propionic acid sulfate | 245 | 165 (a) | |
| 9/9′ | ||||
| 34 | 3-(4-Hydroxy-phenyl)-2-propenoic acid sulfate | 243 | 163 (a) | |
| 37 | 199 (b) |
Retention time, structure and m/z ratio of fragment ion from MSn spectra.