Metabolite data for 5-CQA in rat plasma (15 min after dosing)
| No. | Description | Retention Time | Formula | Calculated Mass | Measured Mass | Relative Mass Response | ||
|---|---|---|---|---|---|---|---|---|
| 5-CQA | 5-CQA + LPS | 5-CQA + Tolcapone | ||||||
| min | [M + H]+ | % | ||||||
| M0 | 5-CQA | 14.0 | C16H18O9 | 353.083 | 353.085 | 16.9 | 15.1 | 18.3 |
| M0-2 | 4-CQA | 14.6 | C16H18O9 | 353.082 | 353.085 | 0.4 | 0.4 | 0.5 |
| M1-1 | 2′-SG-5-CQA | 13.0 | C26H33N3O15S | 658.155 | 658.155 | − | 0.2 | 0.2 |
| M6-1 | 5-FQA | 16.4 | C17H20O9 | 367.100 | 367.102 | 5.2 | 3.5 | 3.1 |
| M6-2 | 5-iFQA | 17.0 | C17H20O9 | 367.102 | 367.102 | 4.1 | 2.5 | 2.9 |
| M8-1 | Sulfate conjugate of 5-CQA | 17.2 | C16H18O12S | 433.046 | 433.045 | 1.1 | 2.8 | 4.6 |
| M8-2 | Sulfate conjugate of 5-CQA | 19.0 | C16H18O12S | 433.043 | 433.044 | 10.9 | 26.9 | 39.4 |
| M8-3 | Sulfate conjugate of 4-CQA | 19.7 | C16H18O12S | 433.038 | 433.041 | 0.3 | 0.5 | − |
| M9-1 | Sulfate conjugate of 5-FQA | 18.0 | C17H20O12S | 447.058 | 447.059 | 30.5 | 24.5 | 14.9 |
| M9-2 | Sulfate conjugate of 4-FQA | 19.1 | C17H20O12S | 447.056 | 447.058 | 0.7 | 0.6 | − |
| M9-3 | Sulfate conjugate of 5-iFQA | 19.8 | C17H20O12S | 447.062 | 447.061 | 26.2 | 20.4 | 14.0 |
| M10-1 | Glucuronide conjugate of 5-CQA | 11.2 | C22H26O15 | 529.124 | 529.122 | − | 0.2 | 0.2 |
| M10-2 | Glucuronide conjugate of 5-CQA | 13.9 | C22H26O15 | 529.118 | 529.119 | 1.2 | 1.6 | 1.4 |
| M11-1 | Glucuronide conjugate of 5-FQA | 12.0 | C23H28O15 | 543.137 | 543.136 | − | 0.1 | − |
| M11-2 | Glucuronide conjugate of 5-iFQA | 14.6 | C23H28O15 | 543.131 | 543.133 | 0.8 | 0.8 | 0.5 |