Correlation of metabolite identification number, HPLC retention time, and molecular ion m/z ratio with metabolite identification
| Metabolite No. | HPLC Retention Time | Molecular Ion | Elimination Routea | Description of Metabolite Structure | ||
|---|---|---|---|---|---|---|
| Plasma | Bile | Urine | ||||
| min | m/z | |||||
| 5 | 17.5 | 539 | Y | Y | Benzothiazole cysteine conjugate | |
| 11 | 26 | 612 | Y | Phthalazinone oxidation product and glucuronic acid conjugate | ||
| 15 | 25–33 | 436 | Y | Y | Y | Single oxidation of phthalazinone moiety product |
| 16 | 25–33 | 436 | Y | Y | Y | Single oxidation of phthalazinone moiety product |
| 17 | 25–33 | 436 | Y | Y | Y | Single oxidation of phthalazinone moiety product |
| 18 | 23–28 | 596 | Y | Y | Y | Acyl glucuronide conjugate |
Y, presence of metabolite in the matrix noted.