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. 2021 Oct 15;10(10):2192. doi: 10.3390/plants10102192

Table 1.

Acquisition parameters of HPLC-MS/MS (dynamic-MRM mode) used for the analysis of the 29 phenolic compounds.

No. Analytes Precursor ion, m/z Product Ion, m/z Fragmentor, V Collision Energy, V Polarity Retention Time (Rt, min)
1 Gallic acid 169 125.2 * 97 12 Neg. 6.96
2 Neochlorogenic acid 353 191.2 *, 179 82 12, 12 Neg. 9.52
3 (+)-Catechin 289 245.2 *,109.2 131 8, 20 Neg. 11.44
4 Procyanidin B2 576.99 576.99 *, 321.2 160 0, 32 Neg. 12.41
5 Chlorogenic acid 353 191.2 *, 127.5 82 12, 20 Neg. 12.42
6 p-Hydroxybenzoic acid 137 93.2 * 92 16 Neg. 12.86
7 (−)-Epicatechin 289 245.1 *, 109.1 126 8, 20 Neg. 13.03
8 3-Hydroxybenzoic acid 137 93.2 * 88 8 Neg. 13.59
9 Caffeic acid 179 135.2 *, 134.1 92 12, 24 Neg. 13.65
10 Vanillic acid 167 152.4 *, 108.1 88 12, 20 Neg. 14.32
11 Syringic acid 196.9 182.2 *, 121.2 93 8, 12 Neg. 15.28
12 Procyanidin A2 575 575 *, 285 170 0, 20 Neg. 16.18
13 p-Coumaric acid 163 119.2 *, 93.2 83 12, 36 Neg. 16.70
14 Ferulic acid 193 134.2 *, 131.6 83 12, 8 Neg. 17.10
15 3,5-Dicaffeoylquinic acid 514.9 353.1 *, 191 117 8, 28 Neg. 17.61
16 Rutin 609 300.2 *, 271.2 170 32, 50 Neg. 17.73
17 Hyperoside 465.01 303 *, 61.1 97 8, 50 Pos. 18.33
18 Isoquercitrin 463 271.2 *, 300.2 155 44, 24 Neg. 18.36
19 Phloridzin 435.39 273 *, 167 155 8, 28 Neg. 18.83
20 Quercitrin 446.99 300.2 *, 301.2 160 24, 16 Neg. 19.61
21 Myricetin 316.99 179.1 *, 182 150 16, 24 Neg. 19.61
22 Naringin 578.99 271.3 *, 151.3 170 32, 44 Neg. 19.62
23 Kaempferol-3-glucoside 447 284.2 *, 255.2 170 24, 40 Neg. 19.77
24 Hesperidin 611.01 303 *, 334.8 112 20, 12 Pos. 20.19
25 Ellagic acid 301 301 *, 229 170 0, 24 Neg. 21.41
26 Quercetin 300.99 151.2 *, 179.2 145 16, 12 Neg. 21.87
27 Phloretin 272.99 167 *, 123 116 8, 20 Neg. 22.30
28 Kaempferol 287.01 153 *, 69.1 60 36, 50 Pos. 23.84
29 Isorhamnetin 314.99 300.2 *, 196.1 145 16, 4 Neg. 24.57

* These product ions were utilized for quantitation; neg., negative; pos., positive.