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. 2024 Feb 6;11:1327164. doi: 10.3389/fnut.2024.1327164

Table 5.

The chemical composition identified in A. villosum extracts based on the UPLC-ESI-QTOF-MS/MS analysis.

No. Name Rt(min) Molecular Ion Measured (m/z) MS2 ion fragment
1 Malic acid 1.335 C4H6O5 [M-H] 133.0151 115, 71
2 Citric acid 2.262 C6H8O7 [M-H] 191.0208 111, 87
3 Protocatechuic acid 6.655 C7H6O4 [M-H] 153.0198 109, 91
4 Gallic acid 6.676 C7H6O5 [M-H] 169.0144 151, 125, 107, 83
5 Vanillic acid hexoside isomer 7.609 C14H18O9 [M-H] 329.0898 269, 209, 167, 123
6 4-hydroxybenzoic acid 8.384 C7H6O3 [M-H] 137.0253 93, 65
7 Protocatechualdehyde 8.408 C7H6O3 [M-H] 137.0250 119, 108, 91
8 Procyanidin B isomer 9.025 C30H26O12 [M-H] 577.1422 425, 407, 289, 245
9 Catechin hexoside isomer 9.530 C21H24O11 [M-H] 451.1250 361, 331, 289, 245
10 (+/−) Catechin 9.681 C15H14O6 [M-H] 289.0745 245, 203, 151, 123, 109
11 Vanillic acid hexoside isomer 9.941 C14H18O9 [M-H] 329.0898 269, 209, 167, 123
12 Catechin hexoside isomer 10.033 C21H24O11 [M-H] 451.1250 361, 331, 289, 245
13 Vanillic acid 10.091 C8H8O4 [M-H] 167.0348 152, 123, 108, 91
14 Procyanidin C isomer 10.271 C45H38O18 [M-H] 865.2126 695, 577, 425, 407, 289
15 Caffeic acid 10.343 C9H8O4 [M-H] 179.0356 135, 117, 107
16 Procyanidin B isomer 10.483 C30H26O12 [M-H] 577.1402 425, 407, 289, 245
17 Procyanidin D 10.523 C60H50O24 [M-H] 1153.2767 865, 575, 407, 287
18 Syringic acid 10.821 C9H10O5 [M-H] 197.0458 182, 167, 153, 123, 95
19 Epicatechin 11.098 C15H14O6 [M-H] 289.0745 245, 203, 151, 123, 109
20 Procyanidin C isomer 11.544 C45H38O18 [M-H] 865.2103 695, 577, 425, 407, 289
21 Catechin pentoside 11.559 C21H23O10 [M-H] 435.1315 361, 331, 289, 245, 151
22 p-coumaric acid 12.095 C9H8O3 [M-H] 163.0403 119, 93
23 Procyanidin A 12.589 C30H24O12 [M-H] 575.1252 449, 289, 285, 245
24 Rutin 12.908 C27H30O16 [M-H] 609.1489 301, 271, 255, 179, 151
25 Ferulic acid 12.92 C10H10O4 [M-H] 193.0516 178, 149, 133, 121
26 Procyanidin B isomer 13.073 C30H26O12 [M-H] 577.1405 425, 407, 289, 245
27 Isoqercitrin 13.107 C21H20O12 [M-H] 463.0903 301, 271, 243, 151
28 Hyperoside 13.244 C21H20O12 [M-H] 463.0903 301, 271, 255, 243, 151
29 Quercitrin 14.106 C21H20O11 [M-H] 447.0974 301, 271, 255, 243, 151
30 Syringaldehyde 14.674 C9H10O4 [M-H] 181.0510 166, 151, 123
31 Catechin glucuronide 16.193 C22H26O11 [M-H] 465.1242 421, 341, 289
32 Quercetin 16.394 C15H10O7 [M-H] 301.0380 273, 245, 179, 151, 121
33 Isorhamnetin 18.419 C16H12O7 [M-H] 315.0539 271, 227, 163, 151, 107
34 9-Hydroxy-10,12,15-octadecatrienoic acid 25.47 C18H30O3 [M-H] 293.2129 275, 183, 171
35 9-Hydroxy-10,12-octadecatrienoic acid 26.064 C18H32O3 [M-H] 295.2298 277, 195, 171