TABLE 1.
Putative Identification | Molecular Formula | Ion Mode | Exact Mass | Actual Mass | Mass Error (ppm) | RT (min) | Intensity |
---|---|---|---|---|---|---|---|
Hydroxybenzoic acid | C7H6O3 | [M-H]- | 137.0239 | 137.0223 | 1.6 | 2.12 | 26.1 |
Gentistic acid | C7H6O4 | [M-H]- | 153.0188 | 153.017 | 1.8 | 1.58 | 62.7 |
O-coumaric acid | C9H8O3 | [M-H]- | 163.0395 | 163.038 | 1.5 | 2.52 | 93.4 |
Gallic acid | C7H6O5 | [M-H]- | 169.0137 | 169.0126 | 1.1 | 1.01 | 3003 |
Caffeic acid | C9H8O4 | [M-H]- | 179.0344 | 179.0332 | 1.2 | 3.08 | 371 |
Quinic acid | C7H12O6 | [M-H]- | 191.0556 | 191.0549 | 0.7 | 0.52 | 1064 |
Ethyl gallate | C9H10O5 | [M-H]- | 197.045 | 197.0438 | 1.2 | 3.56 | 2150.9 |
Narigenin | C15H12O5 | [M-H]- | 271.0606 | 271.058 | 2.6 | 6.55 | 20.3 |
Kaempferol | C15H10O6 | [M-H]- | 285.0399 | 285.039 | 0.9 | 6.74 | 1208.3 |
Eriodictyol | C15H12O6 | [M-H]- | 287.0556 | 287.0529 | 2.7 | 4.04 | 56.7 |
Ricinoleic acid | C18H34O3 | [M-H]- | 297.243 | 297.2415 | 1.5 | 13.81 | 61.4 |
Ellagic acid | C14H6O8 | [M-H]- | 300.9984 | 300.9984 | 0.0 | 3.68 | 12127.7 |
Quercetin | C15H10O7 | [M-H]- | 301.0348 | 301.0339 | 0.9 | 5.8 | 2834.2 |
Isorhamnetin | C16H12O7 | [M-H]- | 315.0505 | 315.0489 | 1.6 | 5.96 | 76.7 |
Protocatechuic acid 4-O-glucoside | C13H16O9 | [M-H]- | 315.0716 | 315.0693 | 2.3 | 1.43 | 42.7 |
Myricetin | C15H10O8 | [M-H]- | 317.0297 | 317.0283 | 1.4 | 4.23 | 173.9 |
Digallic acid | C14H10O9 | [M-H]- | 321.0247 | 321.0213 | 3.4 | 3.48 | 26.9 |
Galloyl glucose | C13H16O10 | [M-H]- | 331.0665 | 331.0657 | 0.8 | 0.57 | 3218.7 |
Chlorogenic acid | C16H18O9 | [M-H]- | 353.0873 | 353.0834 | 3.9 | 2.33 | 7.7 |
Caffeoylquinic acid | C16H18O9 | [M-H]- | 353.0873 | 353.0858 | 1.5 | 4.78 | 39.4 |
Apignin-7-glucoside | C21H20O10 | [M-H]- | 431.0978 | 431.096 | 1.8 | 5.29 | 62 |
Naringenin 7-O-glucoside | C21H22O10 | [M-H]- | 433.1135 | 433.1118 | 1.7 | 4.73 | 60.6 |
Kaempferol-3-glucoside | C21H20O11 | [M-H]- | 447.0927 | 447.0922 | 0.5 | 4.46 | 22866.5 |
Isorhamnetin 3-O-glucoside | C22H22O12 | [M-H]- | 477.1033 | 477.1003 | 3.0 | 3.64 | 99.1 |
Kaempferol 3-O-acetyl-glucoside | C23H22O12 | [M-H]- | 489.1033 | 489.1001 | 3.2 | 5.23 | 225.9 |
Dicaffeoylquinic acid | C25H24O12 | [M-H]- | 515.119 | 515.1173 | 1.7 | 4.78 | 258.1 |
Kaempferol 3-O-(6″-malonyl-glucoside) | C24H22O14 | [M-H]- | 533.0931 | 533.0884 | 4.7 | 4.66 | 136.8 |
Kaempferol-3-rutinoside | C27H30O15 | [M-H]- | 593.1506 | 593.1504 | 0.2 | 4.3 | 30266.7 |
Rutin | C27H30O16 | [M-H]- | 609.1456 | 609.1453 | 0.3 | 3.84 | 50158.2 |
Coumarin | C9H6O2 | [M + H] + | 147.0446 | 147.0419 | 2.7 | 2.53 | 50.2 |