Table 1.
In vitro metabolites of verbascoside (VMs are methylation vs. sulfate and VGs are glucuronide conjugates of verbascoside). Metabolites are identified from duplicates of time-dependent experiments described in detail in the Materials and Methods section.
| Metabolite | RT (min) | Calculated Mass | Formula | m/z | Δ Mass (ppm) | Score of Isotopic Pattern Matching |
|---|---|---|---|---|---|---|
| Verbascoside | 4.762 | 624.2054 | C29H36O15 | 623.1989 | 1.17 | 99.6 |
| Methyl conjugation | ||||||
| VM1 | 5.25 | 638.2211 | C30H38O15 | 637.2141 | 0.40 | 96.1 |
| VM2 | 5.336 | 638.2211 | C30H38O15 | 637.2137 | −0.40 | 98.7 |
| VM3 | 5.438 | 638.2211 | C30H38O15 | 637.2130 | −1.39 | 84.9 |
| VM4 | 5.603 | 638.2211 | C30H38O15 | 637.2134 | −0.68 | 95.2 |
| VM5 | 5.734 | 638.2211 | C30H38O15 | 637.2132 | −0.93 | 94.2 |
| Sulfonation conjugation | ||||||
| VS1 | 4.516 | 704.1622 | C29H36O18S | 703.1557 | 1.08 | 99.0 |
| VS2 | 4.773 | 704.1622 | C29H36O18S | 703.1561 | 1.64 | 66.9 |
| VS3 | 4.976 | 704.1622 | C29H36O18S | 703.1551 | 0.25 | 85.2 |
| Glucuronide conjugation | ||||||
| VG1 | 3.96 | 800.2375 | C35H43O21 | 799.2306 | 0.51 | 94.5 |
| VG2 | 4.49 | 800.2375 | C35H43O21 | 799.2313 | 1.27 | 91.5 |
| VG3 | 4.76 | 800.2375 | C35H43O21 | 799.2313 | 1.43 | 99.0 |