Table 2. Phase II 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 (min) | Formula | Detected m/z [M-H]¯ | Mass error (ppm) | Putative metabolite | Roots | Leaves |
|---|---|---|---|---|---|---|---|
| ZEN-Sulf | 7.83 | C18H22O8S | 397.0964 | 0.44 | ++ | + | |
| 7; | 6.22; | C18H24O8S | 399.1120; | 0.29; 0.67 | α- or β-ZEL-Sulfa | ++ | N.D. |
| 24 | 7.93 | 399.1121 | |||||
| ZEN-16-Glc* | 6.30 | C24H32O10 | 479.1915 | -1.48 | + | ++ | |
| ZEN-14-Glc* | 8.46 | C24H32O10 | 479.1917 | -1.04 | ++ | + | |
| 50 | 9.32 | C24H34O11 | 479.202 | 0.52 | Hydroxy-ZEL-Glca | N.D. | ++ |
| 1; | 5.46; | C24H34O10 | 481.2076; | 1.75; | ZEL-Glca | + | ++ |
| 4; | 5.97; | 481.2071; | -0.89; | ||||
| 10; | 6.70; | 481.2074; | -1.53; | ||||
| 33 | 8.38 | 481.2078 | -1.60 | ||||
| 15; | 7.18; | C24H32O11 | 495.1860; | -0.09; | Hydroxy-ZEN-Glca | N.D. | ++ |
| 21; | 7.63; | 495.1857; | -0.66; | ||||
| 40 | 8.97; | 495.1857; | -0.72; | ||||
| 5; | 6.01; | 495.1871; | 2.10; | ++ | N.D. | ||
| 11 | 6.76; | 495.1864; | 0.69; | ||||
| 2 | 5.47 | 495.1864; | 0.81 | ++ | + | ||
| 19; | 7.45; | C27H34O13 | 567.2074; | -1.61; | ZEN-MalGlca | ++ | + |
| 49 | 9.31; | 565.1918; | -1.47; | ||||
| 48; | 9.29; | 567.2075; | -1.40; | N.D. | ++ | ||
| 52; | 9.59; | 567.2077; | -0.97; | ||||
| 55 | 9.75; | 565.1921; | -0.92; | ||||
| 8; | 6.30; | C29H40O14 | 611.2324; | -0.75; | ZEN-HexPenta | N.D. | ++ |
| 34 | 8.47 | 611.2330 | -0.56 | ||||
| 6; | 6.18; | C30H42O15 | 641.2446; | -0.72; | ZEN-di-Glca | ++ | N.D. |
| 17 | 7.41 | 641.2445 | -0.81 | ||||
| 3; | 5.61; | 641.2452; | 0.22; | N.D. | ++ | ||
| 32 | 8.22 | 641.2456 | 0.80 | ||||
| 13; | 7.13; | C30H44O15 | 643.2586; | -1.51; | ZEL-di-Glca | ++ | N.D. |
| 18 | 7.42 | 643.2606 | -0.29 | ||||
| 31 | 8.19 | 643.2603 | -0.56 | N.D. | ++ | ||
| 42; | 9.01; | C33H44O18 | 727.2457; | 0.41; | ZEN-Mal-di-Glcb | + | ++ |
| 51 | 9.45 | 727.2454 | -0.01 | ||||
| 41; | 8.97; | C33H46O18 | 729.2611; | 1.46; | ZEL-Mal-di-Glcb | N.D. | ++ |
| 47 | 9.27 | 729.2610 | 1.38 | ||||
| 23 | 7.91 | C36H52O20 | 803.2984 | 0.60 | ZEN-tri-Glca | ++ | N.D. |
| 44; | 9.2; 9.6 | C36H46O21 | 813.2452; | -0.79; | ZEN-di-Mal-di-Glcb | + | ++ |
| 53 | 813.2464 | 0.71 | |||||
| 9; | 6.41; | C36H48O21 | 815.2603; | -0.22; | ZEL-di-Mal-di-Glcb | N.D. | ++ |
| 30; | 8.18; | 815.2606; | 0.30; | ||||
| 36; | 8.67; | 815.2612; | 1.04; | ||||
| 43 | 9.17 | 815.2606 | 0.22 | ||||
| 25; | 7.94; | C39H54O24 | 889.2977; | 0.64; | ZEN-di-Mal-tri-Glcb | + | ++ |
| 29 | 8.09 | 889.2980 | 0.91 | ||||
| 12; | 7.02; | C39H56O23 | 891.3123; | -0.54; | ZEL-di-Mal-tri-Glcb | N.D. | ++ |
| 14; | 7.16; | 891.3129; | 0.14; | ||||
| 22; | 7.89 | 891.3134; | 0.69; | ||||
| 39 | 8.65 | 891.3137 | 0.96 |
* Confirmation with standard by comparison of accurate mass, HRMS/MS and RT.
a Annotation with accurate mass, elemental formula and HRMS/MS spectra.
b Annotation with accurate mass and elemental formula.