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. 2021 Feb 9;26(4):920. doi: 10.3390/molecules26040920

Table 3.

Chemical constituents identified in the fractions of white mulberry fruits using ultra-high-performance liquid chromatography-quadrupole-time-of-flight-high-resolution mass spectrometry (UHPLC-QTOF-HRMS).

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.