Ionisation mode Rt (min) Molecular formula experimental calculatedDelta (ppm) DBE MS/MS fragments Tentative compound Root Leaf Seed Stem References Anthraquinone derivatives [M-H]- 24.99 C21 H20 O10 431.0971 431.0984 2.94 12 413, 269 Emodin 1-glucoside ++++ ++ ++ ++++ [24 ] [M-H]- 25.29 C28 H24 O14 583.1083 583.1093 1.76 17 435, 269, 169 Emodin galloyl-hexose + — — + [27 ] [M-H]- 25.36 C23 H22 O11 473.1084 473.1089 1.13 13 269, 186 Emodin acetyl-hexose ++ ++ + +++ [24 ] [M-H]- 25.46 C24 H22 O13 517.1019 517.0988 -6.05 14 473, 431, 269 Emodin-8-O -(6 -O -carboxyacetyl)-β -D-glucoside ++ ++ + ++++ [27 ] [M-H]- 26.025 C15 H10 O4 253.0505 253.2506 0.52 11 225 Chrysophanol + tr tr + [27 ] [M-H]- 28.00 C17 H12 O6 311.0561 311.0561 0.04 12 269, 224, 169 Acetyl-aloe-emodin + — — + [24 ] [M-H]- 30.4 C15 H10 O5 269.0.454 269.0455 0.54 11 225, 180 Aloe-emodin + tr — +++ [27 , 28 ] [M-H]- 33.7 C15 H10 O5 269.0436 269.0455 7.21 10.5 225 Emodin ++++ ++ +++ ++++ [25 , 27 , 28 ] Phenolic compounds [M-H]- 19.59, 24.6 and 22.67 C28 H24 O14 583.1073 583.1093 3.47 17 269, 169, Apigenin galloyl-glucoside analogues + tr tr + [29 ] [M-H]- 3.55 C7 H6 O5 169.0140 169.0142 1.45 5 125 Gallic acid ++ ++ +++ + [30 ] [M-H]- 4.75 C13 H16 O10 331.0673 331.0671 -0.69 6 169, 125 Gallic acid glucoside ++++ ++++ ++ +++ [24 ] [M-H]- 13.5 C15 H14 O6 289.0698 289.0718 6.76 9 245, 203 Catechin (CA) ++ ++ ++ +++ [29 , 31 ] [M-H]- 16.05 C15 H14 O6 289.0699 289.0718 6.42 9 245, 205 Epicatechin (ECA) ++ +++ +++ +++ [29 , 31 ] [M-H]- 16.3 C22 H18 O11 457.0808 457.0776 -6.91 14 305, 169 Epigallocatechin gallate (EGCG) +++ +++ ++++ +++ [29 , 31 ] [M-H]- 18.58 C21 H20 O10 431.0978 431.0984 1.32 12 311, 283, 269 Apigenin glucoside — +++ + ++ [29 , 30 ] [M-H]- 19.0 C22 H18 O10 441.0835 441.0827 -1.76 14 289, 169 Epicatechin gallate (ECG) ++++ ++++ ++++ ++++ [29 ] [M-H]- 20.56 C15 H12 O5 269.0616 269.0612 -1.48 10 — Apigenin tr — — — [29 ] [M-H]- 22.78 C14 H12 O3 227.0702 227.0714 5.12 9 — Trans -resveratrol+ tr tr tr [27 ] [M-H]- 24.2 C15 H10 O7 301.0343 301.0354 3.56 11 273, 178, 151 Quercetin + ++++ ++++ ++ [31 ] [M-H]- 24.63 C22 H24 O10 447.1289 447.1297 1.72 11 285, 242, 227 Tetrahydroxystilbene-O -(acetyl)-hexose + — — + [24 ] [M-H]- 26.9 C15 H10 O6 285.0386 285.0405 6.51 11 213, 151 Kaempferol + +++ + ++ [30 ] [M-H]- 29.5 C21 H24 O11 451.1231 451.1246 3.28 10 407, 305, 179 Epicatechin glucoside + Tr — + [29 ] Reference compound