Table 7.
Proposed targets for LC-MSn SUSA monitoring 3-MeO-PCP or 3-MeO-PCPy, with protonated precursor ions, characteristic MS2 and MS3 fragment ions, and retention times (RT). The numbers correspond to those in Figs. (2 and 3).
| No. | Target for SUSA |
Precursor
Ions (m/z) |
MS2 Fragment Ions (m/z), and Relative Intensity (%) | MS3 Fragment Ions (m/z), and Relative Intensity (%) | RT (min) |
|---|---|---|---|---|---|
| 8 | 3-MeO-PCP-M (O-demethyl-piperidine-di-HO-) | 292 | 101 (20), 118, (100), 175 (25) | 175: 81 (10), 107 (100) | 8.6 |
| 13 | 3-MeO-PCP-M (piperidine-di-HO-) | 306 | 101 (20), 118 (100), 189 (56) | 189: 81 (20), 121 (100) | 11.6 |
| 57 | 3-MeO-PCP-M (O-demethyl-) glucuronide | 436 | 175 (100), 315 (70), 391 (10) | 175: 81 (20), 107 (100) | 5.5 |
| 58 | 3-MeO-PCP-M (O-demethyl-aryl-HO-) glucuronide | 452 | 175 (20), 191 (90), 367 (100) | 191: 81 (6), 123 (100) | 4.6 |
| 61 | 3-MeO-PCP-M (piperidine-HO-) glucuronide | 466 | 189 (6), 278 (100) | 278: 84 (53), 102 (90), 242 (100) | 9.0 |
| 32 | 3-MeO-PCPy-M (O-demethyl-) | 246 | 72 (100), 175 (60) | 175: 81 (15), 107 (100) | 8.2 |
| 38 | 3-MeO-PCPy-M (O-demethyl-pyrrolidine-di-HO-) | 278 | 87 (14), 104 (100), 175 (50), 232 (30) |
175: 81 (20), 107 (100) | 7.3 |
| 39 | 3-MeO-PCPy-M (pyrrolidine-di-HO-) | 292 | 87 (10), 104 (94), 189 (100) | 189: 81 (20), 121 (100) | 10.9 |
| 64 | 3-MeO-PCPy-M (O-demethyl-) glucuronide | 422 | 175 (100), 315 (1) | 175: 81 (30), 107 (100) | 4.9 |
| 67 | 3-MeO-PCPy-M (O-demethyl-aryl-HO-pyrrolidine-2-oxo-) glucuronide |
452 | 191 (70), 367 (100) | 191: 81 (6), 123 (100) | 10.6 |