| No. | Formula of [M + H]+ ion | MS data | Error (ppm) | tR (min) | MS/MS data | Plasma | Bile | Urine | Feces | No. | Formula of [M + H]+ ion |
| M1 | C29H30N7O3+ | 524.2414 | 1.4 | 6.36 | 119,231,392,506 | − | + | − | − | M1 | C29H30N7O3+ | M2 | C35H40N7O8+ | 686.2936 | 0.4 | 6.45 | 217,410,510 | − | + | + | − | M2 | C35H40N7O8+ | M3 | C15H22N3O2+ | 276.1708 | 0.7 | 6.78 | 147,258 | − | + | + | − | M3 | C15H22N3O2+ | M4 | C29H30N7O3+ | 524.2406 | −0.1 | 7.22 | 203,231,392,410,506 | − | + | + | − | M4 | C29H30N7O3+ | M5 | C30H32N6O+ | 492.2508 | 0.3 | 7.47 | 217,275,392 | + | + | + | + | M5 | C30H32N6O+ | M6 | C29H32N7O2+ | 510.2611 | −0.2 | 8.19 | 111,217,189,277,410 | + | + | + | − | M6 | C29H32N7O2+ | M7 | C29H32N7O2+ | 510.261 | −0.4 | 8.81 | 277,380,394,410 | + | + | + | + | M7 | C29H32N7O2+ | M8 | C29H30N7O3+ | 524.2412 | 1 | 9.1 | 119,203,231,410 | − | + | − | − | M8 | C29H30N7O3+ | M9 | C24H23N6O+ | 411.1931 | 0.8 | 9.41 | 134,247,264,394 | − | + | − | − | M9 | C24H23N6O+ | M10 | C29H32N7O2+ | 510.2611 | −0.2 | 9.46 | 111,189,217,410 | + | − | + | + | M10 | C29H32N7O2+ | M11 | C18H17N5O+ | 320.1498 | −2.5 | 9.5 | 261,278 | + | + | − | + | M11 | C18H17N5O+ | M12 | C29H31N7O3+ | 524.2409 | 0.6 | 9.76 | 99,217,290,506 | + | + | + | + | M12 | C29H31N7O3+ | M13 | C29H30N7O2+ | 508.2447 | −1.6 | 10.08 | 203,222,231,247,394 | + | + | + | + | M13 | C29H30N7O2+ | M14 | C29H32N7O2+ | 510.261 | −0.3 | 10.37 | 111,217,410 | + | − | − | − | M14 | C29H32N7O2+ | M15 | C28H30N7O+ | 480.2505 | −0.2 | 10.52 | 119,203,222,394 | + | + | + | + | M15 | C28H30N7O+ | M16 | C29H29N7O2+ | 508.2454 | −0.3 | 10.75 | 175,203,222,231,247,000 | + | + | − | + | M16 | C29H29N7O2+ | M17 | C26H24N6O+ | 437.2082 | −0.6 | 11.09 | 160,290,379,394 | + | − | − | − | M17 | C26H24N6O+ | M18 | C29H32N7O2+ | 510.2598 | −2.9 | 11.54 | 189,277,394 | + | + | + | + | M18 | C29H32N7O2+ | M19 | C29H30N7O3+ | 524.2397 | −1.8 | 11.54 | 189,217,394,494 | + | + | − | − | M19 | C29H30N7O3+ | M20 | C24H20N5O3+ | 426.1582 | 4.9 | 11.83 | 133,277,408 | − | + | + | − | M20 | C24H20N5O3+ | M21 | C29H30N7O2+ | 508.2443 | −2.5 | 12.06 | 222,231,247,394 | + | + | + | + | M21 | C29H30N7O2+ | M22 | C29H29N7O3+ | 524.2396 | −2.1 | 12.42 | 219,247,394,478 | + | − | + | − | M22 | C29H29N7O3+ | M23 | C30H34N7O+ | 508.2817 | −0.5 | 12.5 | 119,189,217,264,408 | + | − | + | − | M23 | C30H34N7O+ | M24 | C32H33N8O3S+ | 609.2383 | −1.3 | 12.68 | 171,215,394,478,565 | − | + | + | + | M24 | C32H33N8O3S+ | M25 | C24H20N5O3+ | 426.1568 | 1.7 | 13.2 | 149,261,408 | − | + | + | + | M25 | C24H20N5O3+ | M26 | C24H19N5O2+ | 410.1613 | 0.4 | 14.17 | 133,261,392 | + | + | + | − | M26 | C24H19N5O2+ | M27 | C24H21N5O+ | 396.1818 | −0.6 | 15.7 | 119,378 | + | − | − | − | M27 | C24H21N5O+ |
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