Table 1.
ESI-MS/MS, UV, and chromatographic data (retention time, tR) of compounds 1-14 detected in the cocoa bean and husk extracts Costa Rica and cocoa husk Madagascar.
| Peak a | Compound |
tR (min) |
M | [M+HCOO]− | [M − H]− | ESI- MS/MS (Product Ions) (m/z) b |
UV (λmax) |
|---|---|---|---|---|---|---|---|
| Phenols | |||||||
| 1 | N-caffeoyl aspartate | 17.8 | 295 | 294 | 276, 179, 132 | 252, 277, 305 | |
| 2 | procyanidin C (trimer I) | 19.4 | 866 | 865 | 847, 739, 713, 695, 577, 451, 407, 287 | 258, 277 | |
| 3 | procyanidin C (trimer II) | 20.7 | 866 | 865 | 847, 739, 713, 695, 577, 451, 407, 287 | 252, 279 | |
| 4 | procyanidin C (trimer III) | 21.7 | 866 | 865 | 847, 739, 713, 695, 577, 451, 407, 287 | 248, 280 | |
| 5 | procyanidin B (dimer I) | 23.0 | 578 | 577 | 451, 425, 407, 289 | 243, 279 | |
| 6 | procyanidin B (dimer II) | 24.1 | 578 | 577 | 451, 425, 407, 289 | 243, 279 | |
| 7 | procyanidin C (trimer IV) | 26.3 | 866 | 865 | 847, 739, 713, 695, 577, 451, 407, 287 | 244, 280 | |
| 8 | procyanidin C (trimer V) | 27.2 | 866 | 865 | 847, 739, 713, 695, 577, 451, 407, 287 | 242, 279 | |
| 9 | catechin/epicatechin | 28.6 | 290 | 335 | 289 | 271, 245, 205, 179 | 240, 279 |
| 10 | procyanidin B (dimer III) | 36.0 | 578 | 577 | 451, 425, 407, 289 | 277 | |
| 11 | procyanidin C (trimer VI) | 36.4 | 866 | 865 | 739, 713, 695, 577, 451, 407, 287 | 277 | |
| 12 | procyanidin C (trimer VII) | 37.0 | 866 | 865 | 739, 713, 695, 577, 451, 407, 287 | 278 | |
| 13 | quercetin 3-O-glucoside | 42.7 | 464 | 463 | 301, 179 | 268, 355 | |
| 14 | quercetin 3-O-arabinoside | 44.2 | 434 | 433 | 301, 179 | 267, 354 |
a Peak numbers correspond with those of Figure 1. b Ions were generated by fragmentation of molecular deprotonated ions in the ESI-MS/MS experiments, and the base peaks are showed in bold.