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No. | tR(min) | [M-H]−m/z | m/z (% base peak) | Assigned identification | L. delicatulum | L. quesadense |
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1 | 1.7 | 377 | MS2 [377]: 341 (100) MS3 [377⟶341]: 179 (100), 131 (14), 113 (18) MS4 [377⟶341⟶179]: 161 (42), 143 (93), 119 (100) | Disaccharide (HCl adduct) | ✓ | ✓ |
2 | 2.0 | 191 | MS2 [191]: 173 (25), 127 (19), 111 (100) | Citric acid | | ✓b |
3 | 3.1 | 411 | MS2 [411]: 331 (7), 241 (100), 169 (14), 125 (6) | Galloyl hexoside (sulfate adduct) | ✓ | |
4 | 3.3 | 169 | MS2 [169]: 125 (100) | Gallic acid | ✓b | ✓b |
5 | 3.6 | 439 | MS2 [439]: 241 (100) MS3 [439⟶241]: 223 (96), 139 (100), 165 (16) | Unknown | ✓ | |
6 | 4.3 | 379 | MS2 [379]: 379 (100), 241 (20) | Unknown | | ✓ |
7 | 4.5 | 325 | MS2 [325]: 169 (100), 125 (9) MS3 [325⟶169]: 125 (100) | Gallic acid derivative | ✓ | ✓ |
8 | 5.6 | 365 | MS2 [365]: 321 (68), 153 (100) MS3 [365⟶153]: 109 (100), 108 (61) | Protocatechuic acid derivative | ✓ | |
9 | 8.0 | 761 | MS2 [761]: 609 (89), 593 (96), 575 (74), 423 (100) MS3 [761⟶423]: 297 (50), 283 (100), 243 (28) | Prodelphinidin dimer B-type gallate (2 units (epi)GC) | ✓a | ✓ |
10 | 9.1 | 443 | MS2 [443]: 275 (24), 245 (100), 167 (27) | Unknown | ✓ | |
11 | 9.5 | 449 (+) | MS2 [449]:431 (8), 288(18), 287(100) | Cyanidin 3-glucoside | ✓a | |
12 | 10.4 | 759 | MS2 [759]: 481 (100), 423 (96), 301 (87) MS3 [759⟶423]: 297 (84), 283 (50), 243 (100) | Unknown | ✓ | |
13 | 11.0 | 363 | MS2 [363]: 363 (100), 241 (10) | Unknown | | ✓ |
14 | 11.0 | 457 | MS2 [457]: 331 (20), 305 (17), 193 (85), 169 (100) MS3 [457⟶169]: 125 (100) | Gallo(epi)catechin-O-gallate isomer | | ✓a |
15 | 12.3 | 913 | MS2 [913]: 761 (100), 423 (60) MS3 [913⟶761]: 423 (100), 609 (90), 305 (49) MS4 [913⟶761⟶423]: 297 (100), 253 (49), 405 (33) | Gallo(epi)catechin-O-gallate dimer | | ✓ |
16 | 13.3 | 457 | MS2 [457]: 331 (22), 305 (13), 169 (100) MS3 [457⟶169]: 125 (100) | Gallo(epi)catechin-O-gallate isomer | ✓ | ✓ |
17 | 15.0 | 631 | MS2 [631]: 479 (80), 317 (100) MS3 [631⟶479]: 317 (100), 316 (91), 179 (9) MS4 [631⟶479⟶317]: 271 (100), 179 (54), 151 (18) | Myricetin-galloyl-hexoside | ✓ | ✓ |
18 | 15.4 | 457 | MS2 [457]: 331 (16), 305 (15), 169 (100) MS3 [457⟶169]: 125 (100) | Gallo(epi)catechin-O-gallate isomer | | ✓b |
19 | 16.2 | 625 | MS2 [625]: 317 (100), 316 (89) MS3 [625⟶317]: 271 (100), 179 (48), 151 (26) | Myricetin-O-rutinoside | ✓ | ✓ |
20 | 16.6 | 479 | MS2 [479]: 317 (79), 316 (100), 179 (5) MS3 [479⟶317]: 271 (100), 179 (67), 151 (16) | Myricetin-O-hexoside | ✓ | ✓ |
21 | 18.5 | 615 | MS2 [615]: 463 (100), 301 (33) MS3 [615⟶463]: 301 (100) MS4 [615⟶463⟶301]: 179 (75), 151 (100) | Quercetin-galloyl-hexoside | ✓ | ✓b |
22 | 19.2 | 609 | MS2 [609]: 301 (100) MS3 [609⟶301]: 271 (98), 179 (76), 151 (100) | Rutin | | ✓ |
23 | 19.9 | 463 | MS2 [463]: 317 (77), 316 (100), 179 (10) MS3 [463⟶316]: 271 (100), 179 (60), 151 (18) | Myricetin-O-deoxyhexoside | ✓ | ✓ |
24 | 20.6 | 463 | MS2 [463]: 301 (100), 151 (5) MS3 [463⟶301]: 255 (21), 179 (70), 151 (100) | Quercetin-O-hexoside | ✓ | ✓ |
25 | 20.6 | 465 (+) | MS2 [465]: 303 (100) MS3 [465⟶303]: 257 (100), 137 (39) | Delphinidin-O-hexoside | | ✓ |
26 | 21.0 | 659 | MS2 [659]: 317 (85), 316 (100) MS3 [659⟶316]: 271 (100), 179 (74), 151 (47) | Myricetin derivative | ✓a | |
27 | 22.2 | 497 | MS2 [497]: 417 (100) MS3 [497⟶417]: 371 (14), 181 (100), 166 (50), 151 (24) MS4 [497⟶417⟶181]: 166 (100) | Syringaresinol (sulfate adduct) | ✓ | |
28 | 23.0 | 593 | MS2 [593]: 286 (20), 285 (100) MS3 [595⟶285]: 257 (100), 239 (76), 213 (75), 151 (45) | Kaempferol-O-rutinoside | ✓ | |
29 | 23.5 | 599 | MS2 [599]: 313 (100), 285 (94) MS3 [599⟶313]: 169 (100) | Kaempferol-O-galloyl-hexoside | | ✓ |
30 | 24.1 | 549 | MS2 [549]: 505 (100) MS3 [549⟶505]: 317 (44), 316 (100) MS4 [549⟶505⟶316]: 271 (100), 179 (57), 151 (16) | Myricetin derivative | ✓a | ✓ |
31 | 24.6 | 447 | MS2 [447]: 301 (100), 179 (5) MS3 [447⟶301]: 179 (91), 151 (100) | Quercetin-O-deoxyhexoside | ✓ | ✓ |
32 | 24.7 | 303 (+) | MS2 [303]: 257 (100) | Delphinidin | ✓a | |
33 | 24.9 | 477 | MS2 [477]: 331 (100) MS3 [477⟶331]: 316 (100), 315 (57) | Mearnsetin-O-deoxyhexoside | | ✓a |
34 | 27.2 | 437 | MS2 [437]: 357 (100), 151 (39) MS3 [437⟶357]: 342 (48), 151 (100), 136 (40) | Pinoresinol (sulfate adduct) | ✓ | |
35 | 28.0 | 615 | MS2 [615]: 317 (100) MS3 [615⟶317]: 179 (100), 151 (40) | Myricetin-O-galloyl-deoxyhexoside | ✓a | ✓ |
36 | 28.6 | 615 | MS2 [615]: 317 (100) MS3 [615⟶317]: 179 (100), 151 (54) | Myricetin-O-galloyl-deoxyhexoside | ✓a | ✓ |
37 | 28.6 | 431 | MS2 [431]: 286 (17), 285 (100), 284 (25), 255 (10) MS3 [431⟶285]: 257 (82), 255 (100), 197 (39) | Kaempferol-O-deoxyhexoside | | ✓ |
38 | 29.5 | 533 | MS2 [533]: 489 (100) MS3 [533⟶489]: 447 (19), 301 (100) MS4 [533⟶489⟶301]: 271 (100), 179 (22), 151 (42) | Quercetin derivative | ✓a | ✓ |
39 | 33.4 | 599 | MS2 [599]: 301 (100) MS3 [599⟶301]: 179 (81), 151 (100) MS4 [599⟶301⟶179]: 151 (100) | Quercetin-O-galloyl-deoxyhexoside | ✓ | ✓ |
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