Table 3.
Compounds identified by ESI/MS–MS/MS analysis. For each molecule, the HPLC retention time (RT), the m/z ratio in the negative ion mode ([M-H]-) and the fragmentation pattern are reported. The fragments are reported for their relative abundance in descending order.
| Peak | RT (min) | [M-H]− m/z | MS/MS Fragments | Tentatively Identified Compound |
|---|---|---|---|---|
| 1 | 5.3 | 649 | 301,497 | Galloyl-HHDP-gluconate (lagerstannin C) isomer [30] |
| 2 | 5.4 | 481 | 301,275 | HHDP_hexoside [30,31] |
| 3 | 5.9 | 481 | 301,275 | HHDP_hexoside [30,31] |
| 4 | 7.5 | 481 | 301,275 | HHDP_hexoside [30,31] |
| 5 | 8.8 | 783 | 601,721,765,481,301 | bis-HHDP-hexoside (Pedunculagin I isomer) [29,30] |
| 6 | 8.9 | 649 | 301, 497 | Galloyl-HHDP-gluconate (lagerstannin C) isomer [30] |
| 7 | 9.7 | 735 | 675, 657, 603, 543, 381 | Unknown |
| 8 | 9.9 | 645 | 585, 567, 513, 453, 301 | Unknown |
| 9 | 10.8 | 633 | 301, 481, 275, 249 | Galloyl-HHDP-hexoside isomers [29,30] |
| 10 | 11.5 | 781 | 601.721 | Punicalin isomer [30] |
| 11 | 11.6 | 781 | 601.721 | Punicalin isomer [30] |
| 12 | 12 | 783 | 601,721,765,481,301 | bis-HHDP-hexoside (Pedunculagin I isomer) [29,30] |
| 13 | 12.2 | 649 | 301,497 | Galloyl-HHDP-gluconate (lagerstannin C) isomers [30] |
| 14 | 12.5 | 633 | 301,481,275,249 | Galloyl-HHDP-hexoside isomers [29,30] |
| 15 | 12.7 | 1083 | 601,781,721 | Punicalagin isomer [30] |
| 16 | 13.3 | 783 | 301,481,765 | Pedunculagin I isomer [29,30] |
| 17 | 14.4 | 951 | 907,783, 765,481 | HHDP-valoneoyl-glucoside [31] |
| 18 | 15.2 | 1083 | 601, 781, 721 | Punicalagin α [30] |
| 19 | 16.7 | 783 | 481, 301 | bis-HHDP-hexoside (Pedunculagin I isomer) [30] |
| 20 | 17.5 | 633 | 301, 481, 275, 249 | Galloyl-HHDP-hexoside isomers [29,30] |
| 21 | 18.3 | 783 | 481, 301 | bis-HHDP-hexoside (Pedunculagin I isomer) [30] |
| 22 | 19.0 | 785 | 301, 633, 483, 615 | Digalloyl-HHDP-hexoside (pedunculagin II) [29,31] |
| 23 | 19.6 | 1083 | 601, 781, 721 | Punicalagin β [30] |
| 24 | 23.2 | 801 | 649, 499, 349, 301 | Digalloyl-HHDP-glucoside (punigluconinisomer) [29] |
| 25 | 23.8 | 965 | 933 | Castalagin derivate [29] |
| 26 | 24.5 | 801 | 649, 499, 349, 301 | Digalloyl-HHDP-glucoside (punigluconinisomer) [29] |
| 27 | 26.3 | 785 | 483, 633, 301, 615 | Digalloyl-HHDP-hexoside (pedunculagin II) isomer [29] |
| 28 | 27.1 | 633 | 301, 463, 275, 245 | Corilagin [31] |
| 29 | 28.5 | 463 | 301 | Ellagic acid-glucoside [29] |
| 30 | 29.4 | 614 | 463 | Unknown |
| 31 | 30.2 | 447 | 301 | Ellagic acid-deoxyhexoside [29] |
| 32 | 30.6 | 433 | 301 | Ellagic acid-pentoside [29] |
| 33 | 31.0 | 593 | 285 | Kaempferol rutinoside [29] |
| 34 | 31.5 | 609 | 301 | Rutin [31] |