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. 2021 Sep 23;12:758219. doi: 10.3389/fphar.2021.758219

TABLE 1.

Characterization and identification of compounds in TFLS.

No. Name Molecular formula Adduction tR/min m/z
Positive Negative Positive Negative
1 Unknown C11H18N3O 3.39 208.1438→149.0697, 131.0596, 103.0641
2 2,5-Dihydroxybenzoic acid C7H6O4 [2M−H]- 3.733 307.0475→153.0208, 109.0298
3 3-O-p-Coumaroylquinic acid C16H18O8 [M+H]+ [2M−H]- 4.307 4.32 339.1146→321.0978, 293.0988, 147.0546 675.1933→337.0941, 191.0568, 173.0466, 163.0411
4 Epicatechin C15H14O6 [M+H]+ [M−H]- 4.88 4.92 291.0964→273.0862, 139.0494, 123.0542 289.0717→245.0764,179.0349,137.0243,125.0253,109.0304
5 Rutin C27H30O16 [M+H]+ [M−H]- 5.317 5.300 611.1637→465.1053, 303.0589 609.1454→301.0344
6 Proanthocyanidin A1 C30H24O12 [M+H]+ [M−H]- 5.440 5.439 577.1346→559.1263, 425.0929, 287.0648 575.1179→557.1047, 423.0716, 271.0624, 137.0239, 125.0239
7 Proanthocyanidin A2 C30H24O12 [M+H]+ [M−H]- 5.716 5.725 577.1343→425.0920, 287.0649 575.1193→423.0721, 285.0404, 271.0617, 137.0248, 125.0248
8 Litchioside C C19H34O9 [M+Na]+ [M−H]- 5.996 6.013 429.2141→407.2322, 245.1842, 241.1525, 227.1741 405.2130→243.1562, 239.1295, 225.1505
9 Berberine C20H18NO4 [M]+ 7.189 336.1302→321.1073, 320.0993, 292.1054
10 (-)-Pinocembrin7-O-Neohesperidoside C27H32O13 [M+H]+ [M−H]- 7.300 7.317 565.2033→257.0913, 239.0899, 153.0294, 105.0805, 103.0621, 101.0676 563.1774→255.0670