Table 1.
Secondary metabolites in Schinus molle berries (acidified methanolic extract) by LC-MS in negative ionization mode.
| RT | UV Max | m/z [M-H]− | Tentative Identification | Formula | Class | SH (mg/kg *) | DH (mg/kg *) | H (mg/kg *) |
|---|---|---|---|---|---|---|---|---|
| 5.602 | 229.6 | 331.06824 | β-Glucogallin A | C13H16O10 | Gallotannin | 76.0 | 14.8 | 443.6 |
| 5.787 | 271.6 | 169.01456 | Gallic acid | C7H6O5 | Phenolic acid | 62.7 | 4.9 | 252.3 |
| 6.04 | 273.6 | 331.06738 | β-Glucogallin | C13H16O10 | Gallotannin | 2.1 | nd | 147.8 |
| 6.646 | 268.6 | 343.06802 | Galloyl quinic acid A | C14H16O10 | Gallotannin | 30.8 | nd | 265.8 |
| 7.156 | 280.6 | 343.06808 | Galloyl quinic acid B | C14H16O10 | Gallotannin | 23.9 | nd | 251.9 |
| 7.444 | 255.6 | 411.02328 | Gallic acid derivative | C9H16O18 | Phenolic acid | 99.0 | 77.0 | 166.4 |
| 7.856 | 231.6 | 315.07346 | Gentisic acid 5-O-glucoside | C13H16O9 | Phenolic acid glucoside | 12.2 | nd | 130.3 |
| 8.437 | 261.6 | 325.05603 | Feruloyl tartaric A | C14H14O9 | Phenolic acid ester | 295.7 | 20.2 | 1613.1 |
| 8.804 | 267.6 | 325.05624 | Feruloyl tartaric B | C14H14O9 | Phenolic acid ester | 157.0 | 7.2 | 908.8 |
| 9.347 | 272.6 | 495.07687 | Digalloyl quinic acid | C35H28O22 | Gallotannin | 146.6 | 2.0 | 561.6 |
| 9.556 | 229.6 | 353.08759 | 3-caffeoylquinic acid | C16H18O9 | Phenolic acid ester | 95.1 | 36.4 | 543.9 |
| 10.781 | 274.6 | 577.12457 | Quinic acid derivative | C26H26O15 | organic acid | 9.0 | 20.5 | 31.0 |
| 11.11 | 275.6 | 469.06195 | Gallic acid derivative | C19H18O14 | Phenolic acid | nd | nd | 89.7 |
| 11.227 | 272.6 | 495.0744 | Digalloyl quinic acid | C35H28O22 | Gallotannin | 28.5 | 21.8 | 60.8 |
| 12.537 | 237.6 | 647.0879 | Pistafolin | C28H24O18 | Gallotannin | nd | nd | 147.9 |
| 13.094 | 237.6 | 635.0886 | Trigalloyl glucose | C27H24O18 | Gallotannin | nd | nd | 48.1 |
| 13.432 | 235.6 | 477.06815 | Digalloylshikimic acid A | C21H18O13 | Gallotannin | 65.8 | nd | 524.6 |
| 13.705 | 235.6 | 451.12579 | Galloylsalidroside | C21H24O11 | Gallotannin | nd | nd | 88.1 |
| 14.034 | 274.6 | 477.06717 | Digalloylshikimic acid B | C21H18O13 | Gallotannin | 102.4 | nd | 664.8 |
| 14.464 | 235.6 | 377.1821 | Unidentified | C17H30O9 | 121.4 | 103.0 | 155.4 | |
| 14.919 | 235.6 | 377.18033 | Unidentified | C17H30O9 | 233.3 | 240.7 | 378.0 | |
| 18.168 | 237.6 | 483.18625 | Gallic acid glycoside | C23H32O11 | Gallotannin | 108.1 | nd | 469.1 |
| 18.513 | 237.6 | 939.1104 | Pentagalloyl-β-D-glucose | C41H32O26 | Gallotannin | 1.1 | nd | 96.3 |
| 20.639 | 276.6 | 497.1662 | Eucaglobulin | C23H30O12 | Gallotannins derivative | nd | nd | 174.5 |
| 15.952 | 235.6 | 477.10321 | Isorhamnetin galactoside | C22H22O12 | Flavonol | 38.4 | nd | 430.1 |
| 16.299 | 235.6 | 477.10226 | Isorhamnetin glucoside | C22H22O12 | Flavonol | 27.4 | nd | 377.3 |
| 16.461 | 235.6 | 595.12994 | Quercetin 3-lathyroside | C26H28O16 | Flavonol | nd | nd | 124.0 |
| 16.978 | 237.6 | 615.09918 | Quercetin 3-(2-galloylglucoside) | C28H24O16 | Flavonol | 4.2 | nd | 224.1 |
| 17.67 | 235.6 | 303.04959 | Pentahydroxyflavanone | C15H12O7 | Flavonol | 16.5 | nd | 172.6 |
| 18.004 | 254.6 | 477.0668 | Quercetin 3-O-glucuronide | C21H18O13 | Flavonol | 267.5 | 73.4 | 564.3 |
| 19.198 | 237.6 | 447.08984 | Quercitrin | C21H20O11 | Flavonol | 1.8 | nd | 126.3 |
| 17.812 | 234.6 | 441.0809 | Catechin 3-O-gallate | C22H18O10 | Flavanol | 41.7 | nd | 326.8 |
| 11.651 | 229.6 | 289.07129 | Catechin | C15H14O6 | Flavanol | 122.0 | 80.4 | 551.9 |
Where: SH—Seed + Hulls; DH—Dehulled Seeds; H—Husks; nd—not detectable; * relative to catechin calibration curve; RT–retention Time; m/z—Mass-to-Charge Ratio; UV max—Maximum UV.