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. 2021 Jan 11;11:531117. doi: 10.3389/fphar.2020.531117

TABLE 1.

Main constituents identified in BTW.

No. Mode Retention time/min MS1 MS2 Error (ppm) Formula Identification
1 N 3.16 339.0717 177.0179,133.0293 −1.3 C15H16O9 Esculin
2 N 3.79 353.08745 191.0555,161.0240,127.0401, −1 C16H18O9 Chlorogenic acid
3 N 3.96 369.08212 207.0290,192.0058163.0040,135.0093 −1.6 C16H18O10 Fraxin
4 N 4.02 177.01951 149.0242,133.0289,107.0139 1 C9H6O4 Aesculetin
5 N 4.64 207.03004 192.0058,175.0039,147.0085,135.0089 0.7 C10H8O5 Fraxetin
6 N 5.01 367.10258 193.0503,191.0553,173.0454 −2.4 C17H20O9 5-O-Feruloylquinic acid
7 N 5.01 367.10258 193.0503,1910553,175.0397 −2.4 C17H20O9 4-O-feruloyl-D-quinic acid
8 P 5.28 320.09118 292.0930,262.0835,249.0756,2040790 −1.7 C19H14NO4 Coptisine
9 P 5.73 350.1387 334.1070,305.0673 −0.8 C21H19NO4 13-Methylepiberberine
10 P 6.74 336.12102 320.0873,292.0930,278.0775 −2.6 C20H18NO4 Berberine
11 P 6.68 352.1534 336.1191,322.1004,308.1249 −2.6 C21H22ClNO4 Palmatine hydrochloride
12 N 8.11 523.18127 403.1340,361.1287,223.0635, −1.6 C25H32O12 Ligustroside
13 N 9.25 1119.5598 1073.5574,603.3896,469.1561 3.4 C53H86O22 3-O-α-L-arabinopyranosyl-23-hydroxybetulinic acid 28-O-α-L-rhamnopyranosyl(1→4)-β-D-glucopyranosyl
14 N 9.72 973.5029 927.4962,765.4447,603.3897 0.3 C47H76O18 Hederagenin 3-O-{β-D-glucopyranosyl(1→2) [β-D-glucopyranosyl(1→4)]-α-L-arabinopyranoside}
15 N 11.76 1249.6228 1203.6170,733.4535,469.1545 0.2 C59H96O25 3β-[(O-α-L-rhamnopyranosyl(1→2)-α-L-arabinopyranosyl) oxy]lup-20-(29)-en-28-oic acid28-O-α-L-rhamnopyranosyl(1→4)-O-β-D-glucopyranosyl(1→6)-β-D-glucopyranosylester
16 N 11.78 779.4584 587.3971 2.7 C41H66O11 Oleanolic acid 3-O-{O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside}
17 N 11.98 1235.6104 1189.6020,719.4334,469.1539 0.7 C58H94O25 3β-[(O-β-D-xylopyranosyl (1→2)-α-L-arabinopyranosyl) oxy]lup-20-(29)-en-28-oicacid 28-O-α-L-rhamnopyranosyl(1→4)-O-β-D-glucopyranosyl(1→6)-β-D-glucopyranosylester
18 N 12.02 841.4593 795.4554,471.3474 2.2 C42H68O14 3β,23-dihydroxy-lup-20 (29)-en-28-oicacid28O-β-D-glucopyranosyl(1→6)-β-D-glucopyranoside
19 N 12.29 1149.5744 1103.5658,633.3984,469.1560 1.3 C54H88O23 3-O-β-D-glucopyranosyl -23-hydroxybetulinic acid 28-O-α-L-rhamnopyranosyl(1→4)-β-D-glucopyranosyl(1→6)-β-D-glucopyranosyl ester
20 N 12.51 1103.5657 1057.5618,587.3965,469.1557 2.8 C53H86O21 Oleanolic acid 3-O-{O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside
21 N 12.82 811.4509 745.4378,603.3918 −2.9 C41H66O13 Hederagenin 3-O-{β-D-glucopyranosyl (1→4)-α-L-arabinopyranoside}
22 P 13.45 471.19898 453.1901,425.1950 −3 C26H30O8 Limonin
23 N 13.52 957.5101 749.4489 4.5 C47H76O17 Hederagenin 3-O-{O-α-L-rhamnopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-Larabinopyranoside}
24 N 15.96 971.5244 925.517,469.1544,455.3513 0.4 C48H78O17 Betulinic acid 28-O-α-L-rhamnopyranosyl(1→4)-β-D-glucopyranosyl(1→6)-β-D-glucopyranosyl ester
25 N 16.41 781.4395 735.4307,603.3889,471.3451 −2.4 C40H64O12 3-O-β-D-xylopyranosyl (1→2)-α-L-arabinopyranosyl-23-hydroxybetulinic acid
26 N 16.64 749.44781 603.3853,471.3495,423.3253 −0.5 C41H66O12 Pulchinenoside A
27 P 16.92 455.20424 437.1930,411.2156, −4.8 C26H30O7 Obacunone
28 N 17.51 941.51188 733.4552,455.3539161.0428 0.4 C48H78O18 Pulsatilloside C
29 N 17.54 895.5115 733.4551,587.3892,455.3585 4.4 C47H76O16 Oleanolic acid 3-O-{O-α-L-rhamnopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside}
30 N 19.21 471.3466 407.3357 −2.9 C30H48O4 23-hydroxybetulinic acid
31 P 6.05 322.10648 307.0811,279.0859,249.0772 −2.8 C19H16NO4 Greenland coptisine
32 P 5.98 336.1211 320.0876,292.0933,262.0836 −5 C20H17NO4 Epiberberine