| | Number | Postulated compounds | Rt (min) | λ max (nm) | ESI− ions
() | ESI+ ions
() | MW
(g/mol) | Molecular formula |
| | 1 | Gallic acid | 5.96 | 212.3; 269.3 | 169.4 [M − H]−, 125.1 | — | 170 | C7H6O5 | | 2 | Dimer: two units of (epi)gallocatechin | 8.70 | 271.0 | 609.5 [M − H]−, 137.2, 209.1, 305.3, 423.3, 441.6 | 611.7 [M + H]+, 142.1, 155.2, 187.2 | 610 | C30H26O14 | | 3 | Gallocatechin | 9.98 | 271.0 | 305.4 [M − H]−, 137.0, 165.2 | 307.5 [M + H]+, 142.1, 164.2, 187.2 | 306 | C15H14O7 | | 4 | Dimer: two units of (epi)gallocatechin 3-O-gallate | 12.17 | 271.0 | 913.6 [M − H]−, 137.1, 169.2, 259.2, 382.1, 445.3, 761.5 | 915.6 [M + H]+, 164.2 | 914 | C44H34O22 | | 5 | Dimer: 4′-O-methyl-(epi)gallocatechin 3-O-gallate and (epi)gallocatechin 3-O-gallate | 12.84 | 271.0 | 927.5 [M − H]−, 137.2, 169.3, 305.1, 319.5, 609.2, 762.5 | 164.2, 930.4 | 928 | C45H38O22 | | 6 | Epigallocatechin | 14.88 | 271.0 | 305.4 [M − H]−, 137.2, 167.1, 179.2 | 307.6 [M + H]+, 139.2, 164.4 | 306 | C15H14O7 | | 7 | Dimer: (epi)gallocatechin and (epi)gallocatechin 3-O-gallate | 15.54 | 271.0 | 761.5 [M − H]−, 137.3, 169.0, 305.1, 591.4, 609.9 | 763.5 [M + H]+, 164.1, 208.4 | 762 | C37H30O18 | | 8 | 4′-O-Methyl-gallocatechin | 16.50 | 271.0 | 319.3 [M − H]−, 137.0, 181.2, 220.2, 261.2, 305.3 | 321.3 [M + H]+, 164.4 | 320 | C16H16O7 | | 9 | Dimer: two units of (epi)gallocatechin 3-O-gallate | 20.57 | 271.0 | 913.4 [M − H]−, 137.0, 169.2, 319.6, 458.2, 608.7, 775.5 | 915.8 [M + H]+, 164.3, 187.3, 317.1 | 914 | C44H34O22 | | 10 | Epigallocatechin 3-O-gallate | 21.97 | 271.0 | 457.3 [M − H]−, 137.2, 169.3, 305.3, 319.1, 331.4 | 459.5 [M + H]+, 164.4, 289.4 | 458 | C22H18O11 | | 11 | Dimer: 4′-O-methyl-(epi)gallocatechin and (epi)gallocatechin | 23.25 | 271.0 | 623.3 [M − H]−, 137.0, 305.2, 319.6, 440.8 | 624.6 [M + H]+, 164.4 | 624 | C31H30O14 | | 12 | 4′-O-Methyl-(epi)gallocatechin 3-O-gallate | 28.20 | 271.0 | 471.7 [M − H]−, 137.1, 169.1, 319.3 | 473.4 [M + H]+, 164.3, 187.3, 208.5 | 472 | C23H20O11 |
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