Table 3.
Fractions/Subfractions | tR(min) | [M – H] – | Exact mass | Error (ppm) |
Fragments m/z |
Molecular formula | Compound | References |
---|---|---|---|---|---|---|---|---|
EAF | 2.9 | 169.0154 | 169.0142 | -7.1 | 125 | C7H6O5 | Gallic acid (I) | [12, 13] |
5.4 | 305.0663 | 305.0667 | 1.3 | 261, 219, 167/165, 125 | C15H14O7 | Gallocatechin (II) or Epigallocatechin (III) | [14, 15] | |
6.9 | 183.0300 | 183.0299 | -0.5 | 168, 124 | C8H8O5 | Methyl derivative of gallic acid (IV) | [12] | |
9.1 | 197.0468 | 197.0455 | -6.6 | 169, 124/123 | C9H10O5 | Ethyl gallate (V) | [14, 16] | |
10.1 | 631.0956 | 631.0941 | -2.4 | 479, 316, 169 | C28H24O17 | Myricetin-O-(O-galloyl)-hexoside (glycoside or galactoside) (VI) | [17, 18] | |
10.7 | 479.0826 | 479.0831 | 1.0 | 316, 178 | C21H19O13 | Myricetin-3-O-galactoside (VII) | [17, 18] | |
11.1 | 463.0904 | 463.0888 | -3.5 | 316, 178 | C21H19O12 | Myricetin-3-O-rhamnoside (VIII) | [17] | |
12.2 | 615.1007 | 615.0992 | -2.4 | 463, 316/317, 178 | C28H24O16 | Myricetin galloyl rhamnoside (IX) | [18, 19] | |
12.4 | 317.0318 | 317.0303 | -4.7 | 178, 151 | C15H10O8 | Myricetin (X) | [13, 14, 20] | |
12.7 | 447.0955 | 447.0933 | -4.9 | 300/301 | C21H20O11 | Quercetin-3-O-rhamnoside (XI) | [17, 18] | |
13.5 | 599.1044 | 599.1042 | -0.3 | 447, 301, 169, 151 | C28H24O15 | Quercetin 3-O-alpha-(2′′-galloyl)rhamnoside (XII) | [21, 22] | |
13.8 | 301.0357 | 301.0354 | -1.0 | 178/179, 151 | C15H10O7 | Quercetin (XIII) | [14] | |
F2 | 10.8 | 505.0999 | 505.0988 | - 2.2 | 463, 316, 271, 163 | C23H22O13 | Myricetin-3-O-acetyl-rhamnoside (XIV) | [23, 24] |
F5 | 7.0 | 495.0786 | 495.0780 | - 1.2 | 343, 169 | C21H20O14 | Digalloylquinic acid (XV) | [25–27] |
F5 | 10.3 | 609.1482 | 609.1461 | - 3.4 | 463, 316, 178 | C27H30O16 | Myricetin-3-O- rhamnoside -3′-O-rhamnoside (XVI) | Structure proposed by the author |
F6 | 7.7 | 647.0885 | 647.0890 | 0.8 | 495, 343, 325, 169 | C28H24O18 | Trigalloylquinic acid (XVII) | [26] |
F7 | 8.3 | 167.0355 | 167.0350 | - 3.0 | 108 | C8H8O4 | Vanillic acid (XVIII) | [28] |