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. 2023 Nov 2;7:100630. doi: 10.1016/j.crfs.2023.100630

Table 1.

Qualitative analysis of bioactive compounds in LR extract and BLR extract.

Peak no. tR (min) Formula (M-H)-
Major fragment ions (m/z) Proposed compounds Found in LR or BLR
Measured Calculated Error
(ppm)
1 3.343 C16H18O9 353.0901 353.0878 6.5 165.0406, 191.0379 Chlorogenic acid a,b,c LR
2 3.454 C6H12O7 195.0513 195.051 1.4 59.0139, 75.0089 Gluconic acid b,c LR, BLR
3 3.57 C9H8O4 179.0357 179.035 4.01 75.009 Caffeic acid a,b,c LR, BLR
4 4.251 C4H6O5 133.0148 133.0142 4.16 71.0142, 115.0036 Malic acid b,c LR, BLR
5 4.476 C15H18O9 341.0878 341.0878 −0.02 59.0140, 179.0565 Caffeic acid hexose b,c LR
6 4.738 C16H18O8 337.073 337.0929 0.32 190.5793 5-p-Coumaroylquinic acid a,b,c LR
7 4.816 C7H10O5 173.0452 173.0455 −2.01 55.0193, 71.0142 Shikimic acid a,b,c LR
8 5.5 C7H12O6 191.0554 191.0561 −3.74 87.0088, 111.0087 Quinic acid a,b,c LR, BLR
9 6.181 C9H11NO3 180.0684 180.0666 9.84 119.0503, 163.0399 Tyrosine b,c LR, BLR
10 6.406 C4H6O4 117.0197 117.0193 3.14 73.0295, 99.0087 Succinic acid a,b,c LR, BLR
11 6.863 C30H26O14 609.1264 609.125 2.33 305.067 Epigallocatechin dimer a,b,c LR
12 9.02 C15H14O7 305.0675 305.0667 0.6 125.0246, 261.0775 Epigallocatechin a,b,c LR
13 10.156 C30H26O12 577.1369 577.1351 3.03 289.0724, 407.0779 Procyanidin B1 a,b,c LR
14 11.974 C15H14O6 289.073 289.0723 2.5 109.0295, 245.0825, 271.0612 Catechin a,b,c LR, BLR
15 14.134 C15H14O6 289.0724 289.0723 2.21 109.0283, 125.0232, 151.0392, 203.0707, 245.0817 Epicatechin a,b,c LR, BLR
16 22.916 C15H12O5 271.0612 271.0612 0 107.0140, 119.9468, 125.0224, 197.0607 Naringenin a,b,c LR, BLR
17 29.469 C30H48O3 455.3549 455.3531 4.02 112.9859, 135.8063, 311.1698 Betulinic acid a,b,c LR, BLR
18 10.526 C21H24O11 451.1273 451.1246 6.02 289.0716 Catechin-7-O-glucoside b,c BLR
19 22.694 C29H36O15 623.1985 623.1981 0.57 179.0561, 297.1137, 460.1771 Forsythoside A a,b,c BLR
20 22.879 C29H24O12 563.1199 563.1195 0.71 137.0244, 400.1562, 401.1588, 426.1333 Theaflavin a,b,c BLR
21 23.107 C10H13N5O4 266.0893 266.0895 −0.67 119.0499, 134.0610, 146.0412 Adenosine a,b,c BLR

Note: a Compared with standard. b Compared with MSn data or/and data bases. c Compared with the literatures.