Table 1.
Secondary metabolites identified by LC–ESI–HR–MS and LC–ESI–HR–MS/MS.
| N° | Rt | [M-H]− | [M+H]+ | Molecular Formula | Δ ppm | MS/MS | Identity |
|---|---|---|---|---|---|---|---|
| 1 | 1.54 | 157.0362 | C4H6O3N4 | 3.8 | 140.01/114.03/97.00 | allantoin | |
| 2 | 2.42 | 299.0764 | C13H16O8 | 0.9 | 137.02 | p-hydroxybenzoic acid glucoside | |
| 3 | 3.17 | - | 127.0388 | C6H6O3 | 1 | - | 5-hydroxymethyl-2-furfural |
| 4 | 5.25 | 153.0196 | C7H6O4 | 0.5 | - | protocatechuic acid | |
| 5 | 6.79 | 137.0247 | C7H6O3 | 0.8 | - | protocatechuic aldehyde | |
| 6 | 8.07 | 137.0245 | C7H6O3 | 0.8 | 93.03 | p-hydroxybenzoic acid | |
| 7 | 10.88 | 179.0343 | C9H8O4 | 2.3 | - | caffeic acid | |
| 8 | 13.41 | 537.1033 | C27H22O12 | 1.08 | 339.05/493.10 | globoidnan B | |
| 9 | 13.60 | 367.1384 | C18H24O8 | 2.6 | 205.09 | malaxinic acid | |
| 10 | 14.21 | 311.0547 | C17H12O6 | −0.85 | 267.06/108.90 | 3-carboxy-6,7-dihydroxy-1-(3′,4′-dihydroxyphenyl)-naphthalene | |
| 11 | 15.06 | 717.1449 | C36H30O16 | −0.15 | 519.09/475.10/339.05 | (+)-rabdosiin | |
| 12 | 15.28 | 359.0764 | C18H16O8 | 0.6 | 161.02 | rosmarinic acid | |
| 13 | 15.65 | 197.0448 | C9H10O5 | 1.7 | 179.03 | α-hydroxyhydrocaffeic acid | |
| 14 | 19.21 | 491.0974 | C26H20O10 | 0.2 | 311.05/267.06/197.85 | globoidnan A | |
| 15 | 20.27 | 381.0601 | C20H14O8 | −1.06 | 353.02/309.10/265.10 | comfreyn A | |
| 16 | 21.18 | 207.0654 | C11H12O4 | 0.1 | 179.03/135.04/161.02 | caffeic acid ethyl ester | |
| 17 | 22.31 | 339.0863 | C19H16O6 | 0.05 | 311.05/229.01 | ternifoliuslignan D | |
| 18 | 25.56 | 277.2159 | C18H30O2 | −1.28 | 233.22 | linolenic acid | |
| 19 | 26.08 | 279.2315 | C18H32O2 | −1.14 | 261.22 | linoleic acid | |
| 20 | 28.50 | 271.2263 | C16H32O3 | −1.5 | 225.22 | hydroxy-palmitic acid |