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. 2022 Dec 7;27(24):8662. doi: 10.3390/molecules27248662

Table 3.

Flavonoid compounds tentatively identified in the chestnut Cs/1/1 alcoholic extract and its Cs/2/1 and Cs/3/2 fractions. Rt = retention time. Base peak fragments are reported in bold. Detected (Grey color box = not detected).

Peak Rt Tentative Assignment Formula [M-H]
Found
(m/z)
Error
(ppm)
Cs/1/1 Cs/2/1 Cs/3/2
46 9.595 Quercetin pentosyl-hexoside C26H28O16 595.1318 2.3
50 9.969 Quercetin hexuronide I C21H18O13 477.0686 2.6
51 9.911 Quercetin 3-O-hexoside I C12H20O12 463.0893 2.4
52 10.009 Rutin C27H30O16 609.1479 2.9
53 10.067 Quercetin 3-O-hexoside II C12H20O12 463.0892 2.2
54 10.315 Quercetin hexuronide II C21H18O13 477.0680 1.1
55 10.315 Quercetin 3-O-hexoside III C12H20O12 463.0890 1.7
57 10.515 Quercetin 3-O-pentoside C20H18O11 433.0786 1.5
60 10.810 Kaempferol deoxyhexosyl-hexoside I C27H30O15 593.1533 3.5
61 10.887 Isorhamnetin deoxyhexoside I C21H20O11 447.0941 1.8
62 11.099 Isorhamnetin deoxyhexosyl-hexoside I C28H32O16 623.1632 2.2
63 11.176 Kaempferol deoxyhexosyl-hexoside II C27H30O15 593.1526 2.4
64 11.196 Isorhamnetin 3-O-hexoside I C22H22O12 477.1046 1.6
65 11.293 Isorhamnetin deoxyhexoside II C21H20O11 447.0935 0.5
66 11.293 Isorhamnetin hexuronide C22H20O13 491.0841 2.0
67 11.510 Isorhamnetin deoxyhexosyl-hexoside II C28H32O16 623.1633 2.3
68 11.570 Isorhamnetin 3-O-hexoside II C22H22O12 477.1051 2.6
70 12.181 Kaempferol acetylhexoside I C23H22O12 489.1058 4.0
71 12.402 Quercetin C15H10O7 301.0354 −0.3
72 12.737 Luteolin C15H10O6 285.0398 −2.3
73 12.819 Kaempferol acetylhexoside II C23H22O12 489.1051 2.6
75 13.729 Quercetin p-coumaroyl-hexoside C30H26O14 609.1258 1.3
76 13.749 Quercetin p-coumaroyl- deoxyhexosyl-hexoside I C36H36O18 755.1854 3.3
77 13.769 Kaempferol p-coumaroyl-hexoside I C30H26O13 593.1326 2.4
78 13.968 Quercetin hexuronide butyl-ester C25H26O14 533.1316 2.9
79 13.968 Quercetin p-coumaroyl- deoxyhexosil-hexoside II C36H36O18 755.1850 3.3
80 13.984 Kaempferol C15H10O6 285.0403 −0.6
83 14.366 Kaempferol p-coumaroyl deoxyhexosyl hexoside I C36H36O17 739.1894 1.9
85 14.561 Kaempferol p-coumaroyl-hexoside II C30H26O13 593.1311 1.7
86 14.643 Kaempferol p-coumaroyl deoxyhexosyl hexoside II C36H36O17 739.1899 2.9
88 15.563 Kaempferol acetyl p-coumaroyl-hexoside C32H28O14 635.1432 4.0
89 15.799 Methylkaempferol C16H12O6 299.0559 −0.7
91 17.088 Kaempferol di-p-coumaroyl hexoside I C39H32O15 739.1695 3.6
92 17.284 Kaempferol di-p-coumaroyl hexoside II C39H32O15 739.1694 3.3
93 17.313 Acacetin C16H12O5 283.0611 −0.3
96 18.337 Kaempferol acetyl di-p-coumaroyl
hexoside I
C41H34O16 781.1792 2.3
97 18.594 Kaempferol acetyl di-p-coumaroyl
hexoside II
C41H34O16 781.1797 2.9
100 19.954 Kaempferol di-acetyl di-p-coumaroyl hexoside I C43H36O17 823.1879 −0.1
102 20.144 Kaempferol di-acetyl di-p-coumaroyl hexoside II C43H36O17 823.1885 0.6