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. 2020 Feb 11;25(4):778. doi: 10.3390/molecules25040778

Table 3.

Putative identification of compounds present in crude extract and enriched fraction using UHPLC–UV/PDA and UHPLC–MS/MS analysis.

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.