Skip to main content
. 2021 Jul 29;10(8):1218. doi: 10.3390/antiox10081218

Table 2.

Secondary metabolites identified in ethanol extract of blackberry fruits (EB) and in ethanol extract of almond skin (ET) by LC-ESI/LTQOrbitrap/MS/MSn analysis.

Rt Molecular Formula Identity EB ET
1 1.81 C12 H20 O10 agarobiose x x
2 4.78 C7 H10 O7 citric acid methyl ester x
3 5.54 C9 H17 O5 N pantothenic acid x
4 6.8 C34 H24 O22 pedunculagin x
5 7.17 C41 H28 O27 geranin x
6 7.22 C16 H18 O9 chlorogenic acid x
7 7.4 C27 H31 O16+ cyanidin dihexoside x
8 7.72 C27 H22 O18 galloyl HHDP glucose x
9 7.81 C30H26O12 EC-b-EC x
10 7.94 C22 H22 O13 laricitrin glucoside x
11 7.98 C21 H21 O11+ cyanidin 3-O-glucoside x
12 8.56 C21 H21 O10+ pelargonidin 3-O-glucoside x
13 8.86 C20H27NO11 amygdalin x
14 8.86 C15H14O6 (+)-catechin x
15 8.86 C45H38O18 EC-b-EC-b-EC x
16 8.88 C21 H22 O12 dihydroquercetin glucoside x x
17 8.93 C20 H19 O10+ cyanidin xyloside x
18 9.13 C24 H22 O14 kaempferol malonyl glucoside x
19 9.27 C30H27O12 EC-b-EC x
20 9.37 C20 H20 O11 dihydroquercetin pentoside x
21 9.42 C27 H28 O15 cyanidin dioxalyl glucoside x
22 9.83 C15H14O6 (-)-epicatechin x
23 10.16 C45H38O18 EC-b-EC-b-EC x
24 10.25 C45H36O18 EC-b-EC-a-EC x
25 10.52 C41 H26 O26 castalagin x
26 10.74 C20 H16 O12 quercetin 3-O- rhamnoside x x
27 10.81 C21 H16 O14 methyl ellagic acid glucuronide x x
28 11.43 C30H24O12 EC-a-EC x
29 11.47 C41 H28 O26 galloyl bis HHDP glucose x
30 11.52 C21 H21 O12+ delphinidin 3-O-glucoside x
31 11.59 C21 H22 O11 eriodictyol-7-O-glucoside x
32 11.61 C21 H20 O12 quercetin 3-O-glucoside x x
33 11.68 C21 H20 O11 kaempferol 3-O-glucoside x x
34 11.77 C21 H18 O13 quercetin glucuronide x
35 11.81 C28H32O16 isorhamnetin rutinoside x
36 11.85 C27H30O15 kaempferol 3-O-rutinoside x x
37 11.95 C26 H34 O11 icariside E5 x
38 12.01 C27 H18 O16 quercetin hydroxy-methylglutaroy-gluc x
39 12.48 C22H22O12 isorhamnetin glucoside x x
40 12.92 C21 H22 O10 prunin x
41 13.02 C22 H20 O13 isorhamnetin glucuronide x
42 13.02 C21 H20 O12 iperoside x x
43 13.06 C37 H60 O13 unknown x
44 13.06 C42 H54 O9 unknown x
45 13.21 C30 H38 O10 sesquimarocanol B x
46 13.41 C36 H56 O12 suavissimoside f 1 x
47 13.68 C18 H16 O8 rosmarinic acid x
48 13.91 C20 H22 O8 piceid x
49 15.26 C30 H18 O14 unknown x
50 15.88 C18 H32 O5 9,12,13-TriHODE (10, 15) x
51 16.16 C72 H110 O24 coreanoside F1 x
52 16.27 C21 H40 O7 unknown x
53 16.55 C15 H10 O7 quercetin x
54 17.54 C30 H46 O8 trachelosperogenin C x
55 17.77 C18 H34 O5 9,12,13-TriHOME (10) x
56 18.56 C30 H48 O6 19α-hydroxyasiatic acid x
57 20.3 C30 H46 O7 corosin x
58 26.02 C60 H90 O14 coreanogenoic acid x
59 17.33 C30 H46 O6 3-epiilexgenin A x