Table 2.
Contents of the main bioactive compounds identified in Herbmix analyzed in positive and negative ionization modes
| No. | Compound | RT (min) | UV | m/z [M-H]− | Formula | MS fragment | m/z [M + H]+ | MS fragment | μg/g DM |
|---|---|---|---|---|---|---|---|---|---|
| 1 | Chlorogenic acid | 2.05 | 215/325 | 353.0880 | C16H18O9 | 191 | 355.1015 | 163 | 663.1 |
| 2 | Quercetin-O-Hex-Hex | 3.33 | 200/335 | 625.1419 | C27H30O17 | 301 | 627.1545 | 303/465/161 | 134.5 |
| 3 | Hypolaetin-O-Hex | 3.50 | 255/345 | 463.0890 | C21H20O12 | 301 | 465.1016 | 303 | 298.5 |
| 4 | Luteolin 7-glucuronide | 3.84 | 220/255/345 | 461.0730 | C21H18O12 | 285/163 | 463.0865 | 287/257 | 422.2 |
| 5 | Quercetin-O-Hex | 3.95 | 265/340 | 463.0890 | C21H20O12 | 301 | 465.1018 | 303/382/141 | 573.1 |
| 6 | Quercetin-O-Hex-Pent | 4.05 | 220/350 | 595.1309 | C26H28O16 | 301 | 597.1437 | 303/465 | 430.9 |
| 7 | Quercetin-O-Hex-dHex | 4.2 | 220/255/345 | 609.1466 | C27H30O16 | 301 | 611.1599 | 303/465 | 1436.7 |
| 8 | Verbascoside | 4.340 | 195/330 | 623.1985 | C29H36O15 | 461/315/161 | 625.1756 | 471/325/163 | 1162.9 |
| 9 | 3,5-Dicaffeoyl-quinic acid | 4.450 | 200/325 | 515.1198 | C25H24O12 | 191/353 | 517.1339 | 163/319 | 1602.6 |
| 10 | Quercetin-O-dHex-dHex | 4.553 | 260/345 | 593.1512 | C27H30O15 | – | 595.1645 | 303/449 | 1441.1 |
| 11 | Luteolin-glucuronide | 4.951 | 210/340 | 461.0726 | C21H18O12 | 285 | 463.0868 | 287/299 | 1058.0 |
| 12 | Rosmarinic acid | 4.955 | 200/330 | 359.0770 | C18H16O8 | 161/197/179 | 361.0912 | 163/181 | 2886.1 |
| 13 | Luteolin 3′-(3″-acetylglucuronide) | 5.620 | 270/335 | 503.0831 | C23H20O13 | 285/255 | 505.0976 | 287 | 296.9 |
| 14 | Luteolin 3′-(4″-acetylglucuronide) | 5.740 | 270/335 | 503.0834 | C23H20O13 | 285 | 505.0977 | 287 | 521.7 |
| 15 | Luteolin-(malonyl-Pent) | 6.190 | 270/335 | 503.0833 | C23H20O13 | 285 | 505.0978 | 287 | 352.7 |
| 16 | Isomargaritene | 6.425 | 270/330 | 591.1709 | C28H32O14 | 283/268/163 | 593.1862 | 285/447 | 221.6 |
| 17 | Rosmanol | 8.5 | 275/330 | 345.1704 | C20H26O5 | 301/283 | 347.1845 | 301/283/273/231 | 612.7 |
| 18 | Isorasmanol or Royleanonic acid | 9.05 | 220/335 | 345.1705 | C20H26O5 | 283/268/227 | 347.1846 | 301/273/259 | 34.1 |
| 19 | Acacetin | 9.68 | 220/340 | 283.0611 | C16H12O5 | 268 | 285.0752 | – | 11.3 |
| 20 | Royleanonic acid-derivative | 10.7 | – | 345.1710 | C20H26O5 | 283/268/227 | 347.1848 | 301/273/259 | 296.8 |
| 21 | Carnosol derivative | 11.25 | – | 329.1753 | C20H26O4 | 285 | 331.1901 | 285/267/303/243 | 96.1 |
| 22 | Komaroviquinone | 12.3 | 220 | 359.1859 | C21H28O5 | – | 361.2012 | 299/233 | 1127.1 |
| 23 | Carnosol | 12.5 | 205 | 329.1754 | C20H26O4 | 285 | 331.1899 | 285/267/303/243 | 1356.6 |
| 24 | Carnosic acid | 14.6 | 225 | 331.1908 | C20H28O4 | 287/245 | 333.2048 | 287/245 | 651.5 |
| 25 | 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid | 15.3 | 230 | 345.2066 | C21H30O4 | 301/286 | 347.2206 | 301/219 | 711.2 |