Table 1.
Identification of compounds in shepherd's purse extract by UPLC-QTOF-MS/MS.
| No. | tR (min) | [M-H]− (m/z) | Major fragment ions (m/z) | Tentative identification | References |
|---|---|---|---|---|---|
| 1 | 7.64 | 353.0882 | 191.0553 | 5-O-Caffeolyquinic acid | [21] |
| 160.8414 | |||||
| 135.0285 | |||||
|
| |||||
| 2 | 8.06 | 367.1030 | 193.0493 | 1-O-Feruloylquinic acid | [22] |
| 134.0362 | |||||
|
| |||||
| 3 | 8.51 | 337.0929 | 191.0554 | 4-p-Coumaroylquinic acid | [23] |
| 173.0448 | |||||
|
| |||||
| 4 | 8.77 | 337.0924 | 191.0552 | 5-p-Coumaroylquinic acid | [24] |
|
| |||||
| 5 | 8.91 | 337.0924 | 173.0450 | 3-p-Coumaroylquinic acid | [23] |
|
| |||||
| 6 | 9.07 | 163.0392 | 163.0386 | p-Coumaric acid | [25] |
| 119.0492 | |||||
|
| |||||
| 7 | 9.56 | 367.1028 | 298.0486 | 5-O-Feruloylquinic acid | [24] |
| 191.0551 | |||||
| 173.0448 | |||||
|
| |||||
| 8 | 9.60 | 579.1343 | 459.0821 | Luteolin-6-C-pentoside-8-C-hexoside | [22] |
| 429.0771 | |||||
| 357.0613 | |||||
| 327.0504 | |||||
| 309.0403 | |||||
| 285.0396 | |||||
|
| |||||
| 9 | 9.91 | 447.0930 | 357.0610 | Luteolin-6-O-glucoside | [26] |
| 327.0508 | |||||
| 298.0470 | |||||
| 285.0399 | |||||
| 269.0452 | |||||
|
| |||||
| 10 | 10.15 | 563.1392 | 473.0954 | Apigenin-6-C-hexoside-8-C-pentoside | [27] |
| 443.1048 | |||||
| 383.0755 | |||||
| 353.0662 | |||||
|
| |||||
| 11 | 10.57 | 431.1925 | 293.0453 | Kaempferol-O-rhamnoside | [28] |
| 284.0307 | |||||
| 255.0252 | |||||
|
| |||||
| 12 | 10.68 | 609.1446 | 463.0859 | Quercetin-3-O-rutinoside | [29] |
| 301.0340 | |||||
| 300.0273 | |||||
| 271.0247 | |||||
| 255.0301 | |||||
|
| |||||
| 13 | 10.85 | 463.0882 | 300.0269 | Quercetin-3-O-glucoside | [28] |
| 301.0331 | |||||
| 271.0244 | |||||
|
| |||||
| 14 | 11.01 | 593.1501 | 443.0973 | Kaempferol-3-O-rutinoside | [30] |
| 323.0554 | |||||
| 285.0405 | |||||
|
| |||||
| 15 | 11.33 | 505.0986 | 300.0272 | Quercetin-3-(6-O-acetyl-beta-glucoside) | [28] |
| 271.0244 | |||||
| 255.0292 | |||||
|
| |||||
| 16 | 11.499 | 593.1499 | 285.0396 | Kaempferol-3-O-beta-D-rutinoside | [28] |
| 284.0320 | |||||
| 255.0298 | |||||
|
| |||||
| 17 | 11.62 | 725.1710 | 725.1678 | Kaempferol triglycoside | [26] |
| 605.1277 | |||||
| 429.0818 | |||||
| 327.0488 | |||||
| 309.0392 | |||||
| 285.0387 | |||||
|
| |||||
| 18 | 11.68 | 447.0938 | 447.0905 | Kaempferol-O-glucoside | [28] |
| 429.0782 | |||||
| 284.0313 | |||||
| 255.0290 | |||||
| 227.0341 | |||||
|
| |||||
| 19 | 11.75 | 623.1604 | 531.0240 | Isorhamnetin-3-rutinoside | [24] |
| 427.9770 | |||||
| 315.0495 | |||||
| 314.0418 | |||||
| 271.0243 | |||||
| 255.0283 | |||||
|
| |||||
| 20 | 11.85 | 755.1802 | 635.1353 | Diosmetin-7-O-triglycoside | [31] |
| 579.1293 | |||||
| 429.0812 | |||||
| 357.0258 | |||||
| 309.0400 | |||||
|
| |||||
| 21 | 11.93 | 623.1611 | 501.1388 | Quercetin rhamnoside glucuronate | [32] |
| 447.1135 | |||||
| 429.1028 | |||||
| 337.0923 | |||||
| 269.0453 | |||||
|
| |||||
| 22 | 12.39 | 607.1674 | 551.1418 | Chryseoriol- -rutinoside | [21] |
| 515.0217 | |||||
| 429.1035 | |||||
| 299.0561 | |||||
| 284.0328 | |||||
|
| |||||
| 23 | 13.00 | 461.1088 | 299.0558 | Chryseoriol-7-O-glucoside | [23] |
| 284.0325 | |||||
| 256.0376 | |||||
| 116.9280 | |||||
|
| |||||
| 24 | 14.04 | 299.1850 | 299.1852 | Chrysoeriol | [29] |
| 284.0325 | |||||
| 255.0302 | |||||