Table 1. Phase I metabolites of ZEN annotated from roots and leaves analysis and their qualitative abundance (i.e. N.D: not detected, +: detected with low relative abundance; ++: detected with high relative abundance).
| Peak no. | RT | Formula | Detected m/z [M-H]¯ | Mass error ppm | Putative metabolite | Roots | Leaves |
|---|---|---|---|---|---|---|---|
| 57 | 10.14 | C18H20O5 | 315.1237 | 0.34 | Dehydro-ZENa | ++ | N.D. |
| 12.14 | C18H22O5 | 317.1338 | -1.97 | ZEN* | ++ | + | |
| 12.41 | C18H22O5 | 317.1388 | -1.75 | cis-ZEN* | + | ++ | |
| 11.94 | C18H24O5 | 319.1544 | 1.50 | α-ZEL* | + | ++ | |
| 10.39 | C18H24O5 | 319.1548 | -0.08 | β-ZEL* | + | ++ | |
| 37; | 8.72; | C18H20O6 | 331.1185; | -0.45; | Hydroxy-dehydro-ZENa | ++ | ++ |
| 46 | 9.26 | 331.1185 | -0.45 | ||||
| 16; | 7.23; | C18H22O6 | 333.1338; | 1.66; | Hydroxy-ZEN or Hydroxy-dehydro-ZELa | + | ++ |
| 28; | 8.09; | 333.1338; | 1.84; | ||||
| 38; | 8.73; | 333.1343; | -0.15; | ||||
| 45; | 9.26; | 333.1342; | -0.33; | ||||
| 54; | 9.70; | 333.1344; | -0.20; | ||||
| 58 | 10.24 | 333.1340 | -0.99 | ||||
| 20; | 7.51; | C18H22O6 | 333.1345; | 0.66; | Hydroxy-ZEN or Hydroxy-dehydro-ZELa | ++ | N.D. |
| 59 | 10.38 | 333.1340 | -0.81 | ||||
| 56 | 9.83 | C18H24O6 | 335.1497 | -0.15 | Hydroxy-ZELa | + | ++ |
| 26 | 7.97 | C18H24O6 | 335.1497 | -0.15 | Hydroxy-ZELa | ++ | N.D. |
* Confirmation with standard by comparison of accurate mass, HRMS/MS and RT.
a Annotation with accurate mass, elemental formula and HRMS/MS spectra.