Table 3.
Fractions | Compound | Formula | Theoretical (m/z) | Experimental (m/z) | Adduct | Δ (ppm) a |
---|---|---|---|---|---|---|
Hexane | Ar-Turmerone | C15H20O | 217.1592 | 217.1585 | M + H | −3.22 |
(2S,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-(Acetyloxy)hexadecahydro-2,4a,4b,7,7,10a-hexamethyl-2-(3-oxobutyl)-1(2H)-chrysenone | C30H48O4 | 473.3631 | 473.3621 | M + H | −2.11 | |
Stigmasterol | C29H48O | 413.3783 | 413.3779 | M + H | −9.68 | |
Methylene chloride | Odisolane | C8H14O4 | 175.097 | 175.0979 | M + H | 5.14 |
3-Benzofurancarboxyaldehyde | C9H6O2 | 147.0446 | 147.0437 | M + H | −6.12 | |
Loliolide | C11H16O3 | 197.1172 | 197.1178 | M + H | 3.04 | |
(R)-5-Hydroxypyrrolidin-2-one | C4H7NO2 | 102.0547 | 102.0555 | M + H | 7.84 | |
Methyl R-pyroglutamate | C6H9NO3 | 144.0661 | 144.0655 | M + H | −4.16 | |
Indole | C8H7N | 118.0657 | 118.0646 | M + H | −9.32 | |
Ethyl acetate | Quercetin | C15H10O7 | 303.0505 | 303.0499 | M + H | −1.98 |
Kaempferol | C15H10O6 | 287.0556 | 287.0549 | M + H | −2.44 | |
Luteolin | C15H10O6 | 287.0556 | 287.0546 | M + H | −3.48 | |
Astragalin | C21H20O11 | 449.1084 | 449.1082 | M + H | −4.45 | |
Taxifolin | C15H12O7 | 305.0661 | 305.0656 | M + H | −1.64 | |
Morrole A | C14H21NO5 | 284.1498 | 284.1489 | M + H | −3.17 | |
Methyl chlorogenate | C17H20O9 | 369.1186 | 369.1181 | M + H | −1.35 | |
n-Butanol | Quercetin 3-O-β-glucoside | C21H20O12 | 465.1033 | 465.1028 | M + H | −1.08 |
Kaempferol 3-O-β-rutinoside | C27H30O15 | 595.1663 | 595.1659 | M + H | −6.72 | |
Rutin | C27H30O16 | 611.1612 | 611.1609 | M + H | −4.91 | |
Butyl L-pyroglutamate | C9H15NO3 | 186.113 | 186.1127 | M + H | −1.61 |
a Deviation of measured m/z from calculated m/z values for a pseudomolecular ion generated from the molecular formula.