Table 3.
Peak | tR (min) | λmax, (nm) | [M − H]− (m/z) | Formula | Key MS/MS Fragments (m/z) | Class | Possible Compound | Peak Intensity | |
---|---|---|---|---|---|---|---|---|---|
Crude | Fraction | ||||||||
1 | 0.65 | 270 | 341.0850 | C12H22O11 | 161.0224, 119.0327, 113.0223, 101.0223, 89.0224 | Sugar | Sucrose | + | − |
2 | 0.71 | 268, 374 | 366.9911 | C14H8O18 | 182.9911, 139.0014, 94.0276, 67.0170 | Organic acid | Chelidonic acid dimer | + | − |
3 | 0.83 | 258 | 191.0189 | C6H8O7 | 111.0066, 87.0067, 57.0328 | Organic acid | Citric acid | ++ | − |
4 | 0.93 | 312 | 315.0697 | C13H16O9 | 152.0092, 109.0195 | Phenolic acid | Dihydroxylbenzoyl-O-hexoside | + | − |
5 | 0.96 | 288, 310 | 299.0748 | C13H16O8 | 137.0222, 93.0325 | Phenolic acid | Hydroxylbenzoyl-O-hexoside | ++ | − |
6 | 1.07 | 286, 324 | 331.0645 | C13H16O10 | 168.0405, 153.0170, 125.0221 | Phenolic acid | Galloyl-O-hexoside | ++ | − |
7 | 1.84 | 286, 324 | 329.0528 | C14H18O9 | 167.0326, 153.0092, 123.0440 | Phenolic acid | Vanilloyl-O-hexoside | ++ | − |
8 | 2.49 | 278 | 385.0744 | C17H22O10 | 223.0603, 209.0279, 191.0174, 147.0272 | Phenolic acid | Sinapoyl-O-hexoside | ++ | − |
9 | 2.57 | 280, 310 | 289.0717 | C15H14O6 | 205.0480, 151.0378, 137.0222, 125.0222, 109.0273 | Catechin | Catechin isomer | + | − |
10 | 3.17 | 272, 348 | 609.1411 | C27H30O16 | 519.1104 489.0998, 429.0786, 399.0696, 369.0585 | Flavone | Luteolin-6,8-di-C-hexose | ++ | ++ |
11 | 4.26 | 280, 324 | 289.0717 | C15H14O6 | 205.0480, 151.0378, 137.0223, 125.0222, 109.0274 | Catechin | Catechin isomer | + | + |
12 | 4.88 | 272, 336 | 593.1464 | C27H30O15 | 503.1155, 473.1051, 383.0739, 353.0638 | Flavone | Apigenin-6,8-di-C-hexose | ++ | +++ |
13 | 6.72 | 272, 346 | 609.1411 | C27H30O16 | 489.1001, 429.0789, 399.0679, 369.0604 | Flavone | Luteolin-6,8-di-C-hexose | ++ | + |
14 | 7.10 | 272, 334 | 563.1359 | C26H28O14 | 473.1053, 443.0949, 383.0742, 353.0639 | Flavone | Apigenin-6-C-pentose-8-C-hexose | + | ++ |
15 | 7.86 | 270, 348 | 447.0896 | C21H20O11 | 357.0588, 339.0480, 327.0483, 297.0379, 285.0381 | Flavone | Isoorientin (Luteolin-6-C-hexose) | +++ | ++++ |
16 | 8.52 | 272, 336 | 563.1359 | C26H28O14 | 473.1051, 443.0949, 383.0741, 353.0638 | Flavone | Apigenin-6-C-hexose-8-C-pentose | +++ | ++++ |
17 | 9.00 | 270, 350 | 447.0896 | C21H20O11 | 357.0587, 339.0476, 327.0485, 297.0378, 285.0380 | Flavone | Orientin (Luteolin-8-C-hexose) | +++ | +++ |
18 | 9.87 | 270, 348 | 593.1464 | C27H30O15 | 473.1049, 429.0792, 369.0590, 357.0589, 327.0485 | Flavone | Luteolin-6-C-hexose- 8-C-deoxyhexose | ++ | +++ |
19 | 11.22 | 274, 334 | 563.1359 | C26H28O14 | 503.1168, 473.1056, 443.0950, 383.0743, 353.0639 | Flavone | Apigenin-6-C-pentose-8-C-hexose | + | ++ |
20 | 11.60 | 272, 336 | 593.1464 | C27H30O15 | 473.1067, 413.0846, 369.0590, 357.0589, 293.0434 | Flavone | Luteolin-6-C-hexose- 8-C-deoxyhexose | ++ | ++ |
21 | 12.44 | 270, 338 | 431.0947 | C21H20O10 | 341.0639, 323.0529, 311.0536, 283.0589 | Flavone | Vitexin (Apigenin-6-C-hexose) | ++ | ++++ |
22 | 13.85 | 270, 338 | 431.0947 | C21H20O10 | 341.0638, 323.0536, 311.0536, 283.0588 | Flavone | Isovitexin (Apigenin-8-C-hexose) | ++ | ++++ |
23 | 17.19 | 270, 338 | 577.1306 | C27H30O14 | 457.1098, 413.0845, 353.0630, 341.0640, 311.0536, 293.0432 | Flavone | Apigenin-6-C-hexose-8-C-deoxyhexose | ++ | +++ |
(−) = absence, (+) = low intensity, (++) = medium intensity, (+++) = high intensity, and (++++) = significantly high intensity.