Table 2.
No. | tR (min) |
[M − H]− m/z |
m/z (% Base Peak) | H2O | EA | MeOH | Assigned Identification |
---|---|---|---|---|---|---|---|
1 | 1.7 | 377 | MS2 [377]: 341 (100), 179 (15) MS3 [377→341]: 179 (100), 143 (11), 131 (11) MS4 [377→341→179]: 161 (78), 149 (65), 119 (100), 113 (53) |
✓ | ✓ | Disaccharide (HCl adduct) | |
2 | 2.1 | 191 | MS2 [191]: 173 (48), 111 (100) | ✓ | Isocitric acid | ||
3 | 2.7 | 609 | MS2 [609]: 591 (27), 483 (22), 471 (17), 441 (84), 423 (100), 305 (38) | ✓ | ✓ | ✓ | Prodelphinidin dimer B (two units of (epi)GC) |
4 | 3.1 | 865 | MS2 [865]: 739 (12), 695 (100), 577 (18), 575 (31), 451 (16), 407 (22), 287 (19) MS3 [865→695]: 587 (35), 543 (100), 525 (37), 289 (32), 243 (59) |
✓ | Procyanidin trimer B-type | ||
5 | 3.5 | 609 | MS2 [609]: 591 (7), 483 (15), 441 (100), 423 (89), 305 (41) | ✓ | ✓ | ✓ | Prodelphinidin dimer B (two units of (epi)GC) |
6 | 3.6 | 593 | MS2 [593]: 467 (25), 441 (27), 425 (100), 423 (47), 407 (43), 305 (26), 289 (24) | ✓ | ✓ | ✓ | Prodelphinidin dimer B-type (one unit of (epi)GC) |
7 | 4.3 | 593 | MS2 [593]: 467 (53), 441 (79), 425 (35), 423 (100), 305 (74), 287 (8) | ✓ | Prodelphinidin dimer B-type (one unit of (epi)GC) | ||
8 | 4.5 | 305 | MS2 [305]: 261 (20), 221 (52), 219 (69), 179 (100), 165 (30), 125 (31) | ✓ | ✓ | ✓ | Gallocatechin |
9 | 5.3 | 365 | MS2 [365]: 321 (55), 211 (65), 153 (100) MS3 [365→153]: 109 (100) |
✓ | ✓ | Dihydroxybenzoic acid derivative | |
10 | 5.6 | 593 | MS2 [593]: 467 (11), 425 (100), 407 (57), 289 (20) | ✓ | ✓ | ✓ | Prodelphinidin dimer B-type (one unit of (epi)GC) |
11 | 5.7 | 761 | MS2 [761]: 609 (98), 591 (54), 465 (22), 441 (52), 423 (100), 305 (34) MS3 [761→609]: 591 (32), 483 (85), 423 (40), 305 (100), 177 (36) |
✓ | ✓ | Prodelphinidin dimer B-type gallate (two units (epi)GC) | |
12 | 6.8 | 577 | MS2 [577]: 451 (28), 425 (100), 407 (68), 289 (24), 287 (20), 245 (11) | ✓ | ✓ | Procyanidin dimer B-type | |
13 | 7.1 | 305 | MS2 [305]: 261 (21), 221 (45), 219 (75), 179 (100), 165 (27), 125 (42) | ✓ | ✓ | ✓ | Epigallocatechin |
14 | 7.5 | 593 | MS2 [593]: 575 (30), 467 (31), 441 (84), 425 (100), 423 (92), 305 (52), 289 (28) | ✓ | ✓ | ✓ | Prodelphinidin dimer B-type (one unit of (epi)GC) |
15 | 8.0 | 761 | MS2 [761]: 743 (30), 635 (38), 609 (65), 593 (72), 591 (43), 575 (70), 457 (30), 423 (100) MS3 [761→593]: 575 (26), 405 (19), 423 (100) |
✓ | ✓ | Prodelphinidin dimer B-type gallate (two units (epi)GC) | |
16 | 8.9 | 289 | MS2 [289]: 245 (100), 205 (34), 203 (15), 179 (11), 151 (9) | ✓ | ✓ | ✓ | Catechin |
17 | 10.6 | 431 | MS2 [431]: 385 (100), 223 (10), 153 (9) MS3 [431→385]: 223 (100), 205 (39), 161 (52), 153 (73), 138 (9) |
✓ | ✓ | ✓ | Roseoside (formate adduct) |
18 | 10.8 | 577 | MS2 [577]: 451 (10), 425 (100), 407 (95), 289 (26), 287 (8) | ✓ | ✓ | ✓ | Procyanidin dimer B-type |
19 | 12.0 | 289 | MS2 [289]: 245 (100), 205 (33), 203 (15), 179 (13) | ✓ | ✓ | ✓ | Epicatechin |
20 | 14.2 | 865 | MS2 [865]: 713 (33), 695 (100), 577 (45), 575 (36), 451 (33), 425 (30), 407 (53), 289 (41) | ✓ | ✓ | ✓ | Procyanidin trimer B-type |
21 | 14.3 | 593 | MS2 [593]: 575 (14), 467 (23), 441 (30), 425 (100), 423 (58), 407 (51), 305 (27) | ✓ | ✓ | ✓ | Prodelphinidin dimer B-type (one unit of (epi)GC) |
22 | 16.7 | 479 | MS2 [479]: 317 (79), 316 (100), 179 (9) MS3 [479→316]: 271 (100), 179 (40), 151 (17) |
✓ | ✓ | ✓ | Myricetin-O-hexoside |
23 | 17.1 | 479 | MS2 [479]: 317 (99), 316 (100), 179 (12) MS3 [479→316]: 271 (79), 179 (100), 151 (27) |
✓ | ✓ | Myricetin-O-hexoside | |
24 | 18.0 | 449 | MS2 [449]: 317 (100), 316 (94) MS3 [449→317]: 271 (100), 179 (86), 151 (41) |
✓ | ✓ | ✓ | Myricetin-O-pentoside |
25 | 19.3 | 449 | MS2 [449]: 317 (40), 316 (100) MS3 [449→316]: 271 (100), 179 (13), 151 (22) |
✓ | ✓ | Myricetin-O-pentoside | |
26 | 19.8 | 463 | MS2 [463]: 317 (70), 316 (100) MS3 [463→316]: 217 (100), 179 (29), 151 (17) |
✓ | ✓ | ✓ | Myricetin-O-deoxyhexoside |
27 | 20.5 | 463 | MS2 [463]: 301 (100) MS3 [463→301]: 179 (100), 151 (88) |
✓ | ✓ | ✓ | Quercetin-O-hexoside |
28 | 22.3 | 415 | MS2 [415]: 369 (21), 225 (21), 179 (100), 161 (10) | ✓ | ✓ | ✓ | Unknown |
29 | 23.2 | 433 | MS2 [433]: 301 (100) MS3 [433→301]: 271 (56), 255 (100), 179 (75), 151 (33) |
✓ | ✓ | ✓ | Quercetin-O-pentoside |
30 | 24.4 | 477 | MS2 [477]: 331 (100), 316 (34) MS3 [477→331]: 316 (100), 271 (2) MS4 [477→331→316]: 316 (100), 287 (30), 271 (50), 179 (43), 136 (60) |
✓ | ✓ | ✓ | Mearnsetin-O-deoxyhexoside |
31 | 24.7 | 447 | MS2 [447]: 301 (100) MS3 [447→301]: 179 (77), 151 (100) |
✓ | ✓ | ✓ | Quercetin-O-deoxyhexoside |
32 | 26.8 | 317 | MS2 [317]: 271 (5), 179 (100), 151 (46) | ✓ | ✓ | Myricetin | |
33 | 28.7 | 431 | MS2 [431]: 285 (100), 255 (8) MS3 [431→285]: 257 (55), 255 (100), 227 (24), 241 (17) |
✓ | ✓ | ✓ | Kaempferol-O-deoxyhexoside |
34 | 29.4 | 461 | MS2 [461]: 315 (100) MS3 [461→315]: 300 (100), 271 (6) |
✓ | ✓ | ✓ | Isorhamnetin-O-deoxyhexoside |