TABLE 2

Liquid chromatography–tandem mass spectrometric data of metabolites of daclatasvir that were detected in vitro and in animals

Analytes were separated using a 75-minute reversed-phase HPLC gradient as described in Materials and Methods. Precursor ions tabulated correspond to the monoisotopic masses of the unlabeled (¹²C) compound. A normalized collision energy of 40% was used to generate the product ions listed.

Compound	Retention Time (min)	Precursor Ion [M+H]⁺	Product Ions m/z
1	56.2	739	339, 391, 513, 565, 582, 707
2	34.7	755	339, 391, 513, 529, 565, 581, 582, 608, 737
3	41.2	755	407, 513, 563, 580, 581, 737
4	24.8	681	339, 391, 455, 507, 513, 565, 582, 649
5	22.1	697	355, 407, 549, 580, 581, 679
6	51.9	755	513, 529, 563, 581, 598, 723, 737
7	43.8	755	407, 529, 549, 581, 582, 598, 723
8	17.7	519	249, 301, 443, 475
9	53.1	755	303, 355, 529
10	38.3	755	507, 529, 563, 598, 723
11	30.8	771	299, 422, 473, 596, 614, 753
12	28.6	771	371, 379, 423, 553, 597
13	54.8	771	544, 596, 614
14	26.4	771	355, 407, 563, 580, 581, 597
15	18.0	598	372, 424, 441, 566
16	19.8	803	393, 411, 437, 455, 585, 629, 646
17	22.8	787	379, 423, 553, 597
18	39.4	757	409, 551, 583
19	27.2	771	355, 407, 580, 581, 753
20	57.2	769	438, 543, 595, 612, 737, 751
21	58.3	769	438, 543, 595, 612, 737, 751
22	26.0	521 [M+H₂O+H]⁺	277, 295, 329, 347, 471, 489, 503
23	22.3	901	582, 681, 725
25	31.4	771	407, 563, 580, 581, 713
26	22.4	491	265, 317, 334, 459