Table 1.
RT (min) | Observed m/z | Calculated m/z | Molecular formula | Error (ppm) | Putative identity |
---|---|---|---|---|---|
2.26 (1) | 332.0829 | 332.0818 | C15H15O7 | 3.31 | Malvidin |
2.95 (5) | 229.0797 | 229.0786 | C14H12O3 | 4.80 | Resveratrol |
3.04 (6) | 345.0891 | 345.0896 | C18H16O7 | − 1.45 | Cirsilineol |
5.57 (7) | 447.1208 | 447.1213 | C22H22O10 | − 1.12 | Swertisin |
9.28 (8) | 421.1766 | 421.1784 | C22H28O8 | − 4.27 | ( +)-Lyoniresinol |
9.65 (9) | 419.1612 | 419.1628 | C22H26O8 | 3.82 | ( +)-Syringaresinol |
11.28 (11) | 287.0481 | 287.0477 | C15H10O6 | 1.39 | Scutellarein |
11.76 (12) | 209.0737 | 209.0736 | C11H12O4 | 0.47 | Ethyl caffeate |
14.81 (13) | 385.1570 | 385.1573 | C22H24O6 | − 0.78 | Pandanusphenol A |
15.33 (14) | 177.0845 | 177.0837 | C11H12O2 | 4.52 | Ethyl cinnamate |
15.76 (15) | 217.1152 | 217.1150 | C14H16O2 | 0.92 | 3-Methyl-3-buten-1-yl cinnamate |
16.08 (16) | 285.2707 | 285.2715 | C18H36O2 | − 2.80 | Stearic acid |
16.32 (17) | 167.0993 | 167.0994 | C10H14O2 | − 0.60 | Viridine |
17.45 (18) | 109.0577 | 109.0575 | C7H8O | 1.83 | Benzyl alcohol |
17.72 (19) | 129.0836 | 129.0837 | C7H12O2 | − 0.77 | Isoprenyl acetate |
18.00 (20) | 343.0946 | 343.0951 | C15H18O9 | − 1.46 | Caffeic acid glucoside |
18.50 (21) | 287.0481 | 287.0477 | C15H10O6 | 1.39 | Luteolin |
19.47 (22) | 197.1454 | 197.1463 | C12H20O2 | − 4.57 | Geranyl acetate |