Metabolite No. | Elimination Route3-a | Molecular Ion | Significant CID Product Ions | Description of Metabolite Structure |
---|---|---|---|---|
m/z | m/z | |||
1 | U | 205 | 159, 149, 103 | Phthalazineacetic acid |
2 | B | 743 | 449, 420, 406, 306, 177, 130 | Benzothiazole glutathione conjugate and hydroxylation product |
3 | B | 686 | 539, 495, 449, 406, 249, 130 | Benzothiazole glutamyl cysteine conjugate and hydroxylation product |
4 | B | 668 | 539, 495, 449, 406, 249, 130 | Benzothiazole glutamyl cysteine conjugate |
5 | B | 539 | 493, 449, 406, 146 | Benzothiazole cysteine conjugate |
6, 7 | U | 557 | 539, 436, 390, 248, 232 | Benzothiazole cysteine conjugate and hydroxylation product |
8, 9 | B, U | 599 | 581, 539, 452, 420, 406, 162 | Benzothiazole mercapturic acid conjugate and hydroxylation product |
10 | B, U | 581 | 539, 452, 406, 248 | Benzothiazole mercapturic acid conjugate |
11 | U | 612 | 436, 390, 216 | Phthalazinone oxidation product and glucuronic acid conjugate |
12 | U | 306 | 246, 202 | Benzothiazole carboxylic acid |
13, 14 | U | 436 | 390, 232, 171, 146 | Single oxidation of benzothiazole moiety product |
15–17 | U | 436 | 390, 216, 187, 162 | Single oxidation of phthalazinone moiety product |
18 | B, U | 596 | 420, 374, 216, 146 | Acyl glucuronide conjugate |
19 | U | 204 | 184, 157, 108 | Benzothiazole |
Information for all of the metabolites identified in rat urine and bile is given here. The text addresses only the major urinary and biliary metabolites, as determined by the percentage of radioactivity in each matrix.
↵3-a Signifies that the metabolite was detected in bile (B) or urine (U).