Table 2.
Preferred molecular formulas and putative identification of compounds detected by UPLC/MS in SCO: Preferred molecular formulas were determined from isotope abundance analysis (Xcalibur v. 4.0 software), and compounds were putatively identified through searches of natural product databases.
| Peak # | [M – H] (Preferred mol. formula) | Reported from Artemisia species (Reaxys.com) | Reported as natural product (Reaxys.com) |
|---|---|---|---|
| 1 | 353.0873 (C16H18O9) | Chlorogenic acid | |
| 2 | 311.0769 (C14H16O8) | No | Caffeic acid glycosides |
| 3 | 609.1457 (C27H30O16) | Rutin | |
| 4 | 463.0875 (C21H20O12) | Quercetin-glycoside | |
| 5 | 515.1181 (C25H24O12) | Di-caffeoyl-quinic acid | |
| 6 | 515.1181 (C25H24O12) | Di-caffeoyl-quinic acid | |
| 7, 8, 9 | 331.1547/331.1548 (C19H24O5) | Prenylated cinnamic acid(s) and/or Sesquiterpene lactone(s) | |
| 10 | 303.1599 (C18H24O4) | Prenylated acetophenone | |
| 11 | 285.0399 (C15H10O6) | 6-Demethoxycapillarisin | |
| 12 | 359.0772 (C18H16O8) | Trihydroxy-tri-MeO-flavones | |
| 13 | 373.1653 (C21H26O6) | A coumarin monoterpene ether and/or a lignan | |
| 14 | 343.0823 (C18H16O7) | A Dihydroxy-tri-MeO-flavone | |
| 15 | 373.1654 (C21H26O6) | A coumarin monoterpene ether and/or a lignan | |
| 16 | 315.1601 (C19H24O4) | Prenylated coumaric acid or Artepillin A | |
| 17 | 315.1601 (C19H24O4) | Prenylated coumaric acid or Artepillin A | |
| 18 | 315.1601 (C19H24O4) | Prenylated coumaric acid or Artepillin A | |
| 19 | 373.1654 (C21H26O6) | A coumarin monoterpene ether | |
| 20 | 415.1759 (C23H28O7) | (Epi-)Magnolin | Schisandrin type of structures; Lignan derivatives |
| 21 | 357.1713 (C21H26O5) | Prenylated coumaric acid | |
| 22 | 357.1713 (C21H26O5) | Prenylated coumaric acid | |
| 23 | 299.1649 (C19H24O3) | Artepillin C or a steroid | |
| 24 | 387.1662 (C18H28O9) | No | A hydroxyphenyl monosaccharide |
| 25 | 755.2044 (C33H40O20) | No | Quercetin trisaccharide |
| 26 | 471.1148 (C20H24O13) | No | A coumarin disaccharide |
| 27 | 695.1478 (C30H32O19) | No | A flavone malonyldisaccharide |
| 28 | 427.1611 (C20H28O10) | No | A hydroxybenzoyl disaccharide |