|
No. | Tentative assignment | R t (min) | [M + H]+ (m/z) | [M − H]− (m/z) | MS2 fragments (m/z) | Reference |
|
1 | Taxifolin quinoyl hexoside | 0.96 | 641 | | 305 (100%) | [12, 13] |
2 | Protocatechoyl glucoside | 0.95 | 299 | 297 | 161 (100%) | [14, 15] |
3 | Citric acid | 1.29 | 193 | 191 | 111 (100%) | [16] |
4 | Gallic acid | 1.64 | 171 | | 125 | [17] |
5 | Protocatechuic acid | 2.32 | 155 | | 109 | [18] |
6 | Chlorogenic acid isomer | 2.53 | | 353 | 135 (100%) | [19] |
7 | Neochlorogenic acid | 4.90 | | 353 | 191 (100%) | [19] |
8 | Umbelliferone | 5.39 | 163 | | 135 (100%), 107 | [20] |
9 | Cryptochlorogenic acid | 5.74 | | 353 | 191, 179, 173 (100%), 135 | [19] |
10 | Cyanidin-3-O-acetyl rhamnoside | 8.19 | 475 | | 287 (100%) | [13] |
11 | Chlorogenic acid isomer | 8.69 | 355 | 353 | 191 (100%) | [19] |
12 | Pelargonidin-3-O-feruloyl glucoside | 8.77 | 609 | | 271 (100%) | [21] |
13 | Cyanidin-3-O-coumaroyl glucoside | 8.87 | 595 | | 449, 287 (100%) | [22] |
14 | Kaempferol or luteolin-3-O-glucoside | 8.93 | 449 | 447 | 285 (100%) | [23] |
15 | Quercetin-3-O-glucoside | 9.20 | 465 | 463 | 301 | [23] |
16 | Protocatechualdehyde | 9.34 | 139 | 137 | 107 (100%) | [18] |
17 | Isorhamnetin-3-O-diglucoside | 9.38 | 641 | | 317 (100%), 163 | [24] |
18 | Chlorogenic acid isomer | 9.56 | 355 | | 193 | [19] |
19 | Pelargonidin-3-O-glucoside | 9.83 | 433 | | 271(100%) | [25] |
20 | Kaempferol or luteolin-3-O-hexoside | 9.94 | 449 | 447 | 285 (100%) | [23] |
21 | Peonidin-3-O-hexoside | 9.96 | 463 | | 301 (100%) | [25] |
22 | Naringenin-7-O-hexoside | 9.98 | 435 | | 273 (100%) | [26] |
23 | Peonidin-3-O-coumaroyl glucoside | 10.16 | 609 | | 301 (100%) | [25] |
24 | Cyanidin-3-O-hexoside | 10.18 | 449 | | 287 (100%) | [25] |
25 | Azelaic acid | 10.52 | | 187 | 125 (100%) | [27] |
26 | Cyanidin-3-O-malonyl hexoside | 10.57 | 535 | | 287 (100%) | [28] |
27 | Delphinidin-3-O-feruloyl hexoside | 11.01 | 641 | | 303 | [21, 29] |
28 | Cyanidin-3-O-malonyl hexoside | 11.48 | 535 | | 449. 287 (100%) | [28] |
29 | Kaempferol or luteolin-3-O-acetyl hexoside | 11.48 | | 489 | 285 | [30] |
30 | Cyanidin-3-O-acetyl hexoside | 12.10 | 491 | | 287(100%) | [25] |
31 | Apigenin-7-O-acetyl hexoside | 12.20 | 475 | | 271 (100%), 151 | [31] |
32 | Peonidin-3-O-coumaroyl hexoside | 12.81 | 609 | | 301(100%) | [25] |
33 | Peonidin-3-O-feruloyl hexoside | 13.38 | 639 | | 301 (100%) | [21, 29] |
34 | Cyanidin-3-O-rutinoside | 15.60 | 595 | | 287 (100%) | [32] |
35 | Cyanidin-3-O-cinnamoyl glucuronide | 15.82 | 593 | | 287 (100%) | — |
36 | Pelargonidin-3-O-diacetyl hexoside | 16.60 | 517 | | 271 (100%) | [33] |
37 | Caftaric acid | 16.80 | 313 | | 179 | [23, 34] |
38 | Sinapic acid | 16.95 | 225 (100%) | | 209, 179, 151 | [35] |
39 | Maslinic acid | 18.39[M + H-H2O] | 457 | | 439, 411, 357, 339, 248, 235, 205, 179 | [34] |
40 | Maslinic acid isomer | 18.56 [M + H-H2O] | 457 | | 357, 339, 248, 235, 205, 179 | [23] |
41 | Vanillin | 18.86 | 153 | | 138, 125, 121 (100%), 107, 89, 81, 77 | [36] |
42 | Malvidin-3-O-feruloyl glucoronide | 21.51 | 683 | | 331 (100%) | [37] |
43 | Methyl salicylic acid | 21.60 | 153 | | 121, 91 | [38] |
44 | Cyanidin-3-O-coumaroyl hexoside | 24.11 | 595 | | 449, 287 (100%), | [22] |
45 | Delphinidin-3-O-acetyl rhamnoside | 27.30 | 491 | | 303 (100%) | [39] |
45 | Unknown | 25.46 | 381[M+H-H2O] | | 335, 267 | — |
46 | Catechin derivative | 25.50 | 595 | | 291 (100%) | — |
47 | Delphinidin-3-O-acetyl rhamnoside | 27.30 | 491 | | 303 (100%) | [39] |
|