Table 2.
Observed and calculated massesa of heteropolyflavan-3-ols by MALDI-TOF MS
| Polymer | n1 | n2 | n3 | C1 | C2 |
| Dimer | 2 | 0 | 0 | 711 | 711.04 |
| 2 | 0 | 1 | 863 | 862.91 | |
| 1 | 1 | 0 | 727 | 727.09 | |
| 1 | 1 | 1 | 879 | 878.88 | |
| 0 | 2 | 0 | 743 | 742.88 | |
| 0 |
2 |
1 |
895 |
894.93 |
|
| Trimer | 3 | 0 | 0 | 999 | 998.92 |
| 3 | 0 | 1 | 1151 | 1150.86 | |
| 2 | 1 | 0 | 1015 | 1014.85 | |
| 2 | 1 | 1 | 1167 | 1166.82 | |
| 1 | 2 | 0 | 1031 | 1030.84 | |
| 1 | 2 | 1 | 1183 | 1182.80 | |
| 0 | 3 | 0 | 1047 | 1046.75 | |
| 0 |
3 |
1 |
1199 |
1198.69 |
|
| Tetramer | 4 | 0 | 0 | 1287 | 1286.84 |
| 4 | 0 | 1 | 1439 | 1438.80 | |
| 3 | 1 | 0 | 1303 | 1302.79 | |
| 3 | 1 | 1 | 1455 | 1454.79 | |
| 2 | 2 | 0 | 1319 | 1318.80 | |
| 2 | 2 | 1 | 1471 | 1470.77 | |
| 1 | 3 | 0 | 1335 | 1334.78 | |
| 1 |
3 |
1 |
1487 |
1486.77 |
|
| Pentamer | 5 | 0 | 0 | 1575 | 1574.76 |
| 5 | 0 | 1 | 1727 | 1726.80 | |
| 4 | 1 | 0 | 1591 | 1590.79 | |
| 4 | 1 | 1 | 1743 | 1742.78 | |
| 3 | 2 | 0 | 1607 | 1606.78 | |
| 3 | 2 | 1 | 1759 | 1758.76 | |
| 2 | 3 | 0 | 1623 | 1622.73 | |
| 2 |
3 |
1 |
1775 |
1775.64 |
|
| Hexamer | 6 | 0 | 0 | 1863 | 1862.77 |
| 6 | 0 | 1 | 2015 | 2014.76 | |
| 5 | 1 | 0 | 1879 | 1878.85 | |
| 5 | 1 | 1 | 2031 | 2030.82 | |
| 4 | 2 | 0 | 1895 | 1894.80 | |
| 4 | 2 | 1 | 2047 | 2046.78 | |
| 3 | 3 | 0 | 1911 | 1910.80 | |
| 3 | 3 | 1 | 2063 | 2063.80 | |
| 2 | 4 | 0 | 1927 | 1926.81 | |
| 2 |
4 |
1 |
2079 |
2078.80 |
|
| Heptamer | 7 | 0 | 0 | 2151 | 2150.84 |
| 7 | 0 | 1 | 2303 | 2302.81 | |
| 6 | 1 | 0 | 2167 | 2167.78 | |
| 6 | 1 | 1 | 2319 | 2319.82 | |
| 5 | 2 | 0 | 2183 | 2182.83 | |
| 5 | 2 | 1 | 2335 | 2335.69 | |
| 4 | 3 | 0 | 2199 | 2198.84 | |
| 4 |
3 |
1 |
2351 |
2350.76 |
|
| Octamer | 8 | 0 | 0 | 2439 | 2438.67 |
| 8 | 0 | 1 | 2591 | 2591.70 | |
| 7 | 1 | 0 | 2455 | 2455.74 | |
| 7 | 1 | 1 | 2607 | 2606.81 | |
| 6 | 2 | 0 | 2471 | 2471.74 | |
| 6 | 2 | 1 | 2623 | 2623.77 | |
| 5 | 3 | 0 | 2487 | 2487.81 | |
| 5 | 3 | 1 | 2639 | 2639.78 |
n 1: Number of catechin unit; n 2: Number of gallocatechin unit; n 3: Number of galloylated esters; C 1: Calculated [M+Cs]+ mass; C 2: Observed [M+Cs]+ mass.
a
Mass calculations were based on the equation
where M is the calculated mass; 290, 288, 304 and 152 are the molecular weights of the terminal epicatechin unit, the epicatechin extending unit, the epigallocatechin extending unit and the galloyl ester, respectively; 133 is the atomic weight of cesium (Cs); a and b are the DPs contributed by the epicatechin extending unit and the epigallocatechin extending unit, respectively; c is the number of galloyl esters
| M=290+288a+304b+152c+133, |