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. 2020 Sep 29;25(19):4482. doi: 10.3390/molecules25194482

Table 2.

Identification of 19 compounds in the Antirhea borbonica acetonic extract by LC-UV-HESI-MS/MS in negative mode.

Peak Number RT (min) Compound Molecular Formula Mass Error (ppm) [M − H]− MS/MS Fragments mzCloud Best Match (%)
1 0.52 d-Quinic acid C7H12O6 0.4 191.0554 111.0076 85.5
2 2.17 Protocatechuic acid C7H6O4 0.13 153.0184 109.0283 82.7
3 2.63 3-Caffeoylquinic acid C16H18O9 1.03 353.0877 191.0554, 179.0343, 173.0447, 135.0441 85
4 3.47 5-Caffeoylquinic acid C16H18O9 1.03 353.0877 191.0554, 179.0343, 173.0447, 135.0441 88.3
5 3.68 Caffeic acid C9 H8 O4 0.2 179.0341 135.0441 80.2
6 4.09 p-Coumaroyl quinic acid isomer C16H18O8 1.3 337.0931 191.0550, 173.0446, 163.0392 84.6
7 4.18 p-Coumaroyl quinic acid isomer C16H18O8 1.3 337.0931 191.0550, 173.0446, 163.0392 84.6
8 4.2 o/m-Coumaric acid C9H8O3 0.2 163.0391 119.049 81.2
9 4.36 Feruloylquinic acid C17H20O9 0.5 367.1035 191.0550, 173.0446 _
10 4.43 p-Coumaric acid C9H8O3 0.1 163.0391 119.049 81.2
11 4.74 Quercetin-3-O-rutinoside (Rutin) C27H30O16 1.6 609.1466 300.0274 94.8
12 4.94 Quercetin-3-O-galactoside C21H20O12 1.33 463.0884 300.0274 90.9
13 5.01 Quercetin-3-O-glucoside C21H20O12 1.33 463.0884 300.0274 90.9
14 5.26 Kaempferol-O-hexoside C21H20O11 1.35 447.0935 284.0326 83.7
15 5.45 Kaempferol-O-hexoside C21H20O11 1.35 447.0935 284.0326 83.7
16 5.82 3,5-Dicaffeoylquinic acid C25H24O12 1.04 515.1196 353.0878, 191.0554, 179.0343, 173.0447, 135.0441 83.6
17 6.02 3,4-Dicaffeoylquinic acid C25H24O12 1.04 515.1195 353.0878, 173.0447, 191.0554, 179.0343, 135.0441 88.1
18 6.2 4-Caffeoylquinic acid C16H18O9 1.03 353.0877 173.0447, 191.0554, 179.0343, 173.0447, 135.0441 86.3
19 6.36 1,4/4,5-Dicaffeoylquinic acid C25H24O12 1.04 515.1194 353.0878, 173.0447, 191.0554, 179.0343, 135.0441 89.1