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. 2024 Jan 18;14(1):62. doi: 10.3390/metabo14010062

Table 3.

Identification of ginsenoside compounds by UPLC-QTOF-MS analysis in positive ion mode.

Peak No. tR
(min)		 Identified Compounds Molecular
Formula		 Theoretical
Exact Mass (Da)		 Precursor Ion/or Adduct Ions Mean
Measured Mass (Da)		 Mass Error
(ppm)
1 9.65 Ginsenoside Re4 C47H80O18 933.5417 933.5417[M+H+], 955.5236[M+Na+] 955.52463 1
2 9.68 Notoginsenoside R3 isomer C48H82O19 962.5450 963.5523[M+H+], 985.5342[M+Na+] 985.53504 0.8
3 9.97 20-O-glucoginsenoside Rf C48H82O19 962.5450 985.5342[M+Na+] 985.5308 −3.5
4 10.52 Notoginsenoside R1 C48H80O18 932.5339 955.5236[M+Na+] 955.5202 −3.7
5 11.699 Ginsenoside Rg1 C42H72O14 800.4922 823.4814[M+Na+] 823.47802 −4.1
6 11.792 Ginsenoside Re C48H82O18 946.5501 947.5573[M+H+], 969.5393[M+Na+] 969.53561 −3.8
7 13.26 Malonyl-ginsenoside Rg1 C45H74O17 886.4926 887.4998[M+H+], 909.4818[M+Na+] 909.48202 0.2
8 14.292 Malonyl-ginsenoside Re C51H84O21 1032.5500 1033.5577[M+H+], 1055.5397[M+Na+] 1055.54048 0.7
9 14.62 Vinaginsenoside R8 C48H82O19 962.5445 963.55231[M+H+], 985.53425[M+Na+] 985.5356 1.4
10 16.85 Vinaginsenoside R4 C48H82O19 962.5445 963.55231[M+H+], 985.53425[M+Na+] 985.53597 1.7
11 17.6 Vinaginsenoside R1 C44H74O15 842.5022 843.51005[M+H+], 865.49199[M+Na+] 865.49287 1
12 18.349 Pseudoginsenoside F11 C42H72O14 800.4922 801.4994[M+H+], 823.4814[M+Na+] 823.47777 −4.4
13 18.384 Ginsenoside Rf C42H72O14 800.4922 801.4994[M+H+], 823.4775[M+Na+] 823.47753 −4.7
14 18.484 Pseudoginsenoside RT5 C36H62O10 654.4338 655.4415[M+H+], 677.4235[M+Na+] 677.42414 0.9
15 19.628 Notoginsenoside R2 C41H70O13 770.4816 771.48892[M+H], 793.47086[M+Na] 793.4676 −4.1
16 20.23 Notoginsenoside R4(s) C59H100O27 1240.6452 1241.6524[M+H+], 1263.6344[M+Na+] 1263.62963 −3.8
17 20.9 Ginsenoside Rg2(s) C42H72O13 770.4816 785.5045[M+H+], 807.4865[M+Na+] 807.48683 1.7
18 20.93 Ginsenoside Rh1(s) C36H62O9 784.4973 785.5045[M+H+], 807.4865[M+Na+] 807.48683 0.4
19 20.965 Ginsenoside Rg2(r) C42H72O13 638.4394 661.4286[M+Na+] 661.42859 0
20 21.34 Ginsenoside Rh1(r) C36H62O9 784.4973 785.5045[M+H+], 807.4865[M+Na+] 807.4868 0.4
21 21.67 Ginsenoside F3 C41H70O13 770.4816 771.4889[M+H+] 771.48649 −3.1
22 21.83 Ginsenoside F1 C36H62O9 638.4394 639.4466[M+H+], 661.4286[M+Na+] 661.4286 1.9
23 21.87 Ginsenoside Ra2 C58H98O26 638.4394 1211.6419[M+H+], 1233.6238[M+Na+] 1233.62517 1.8
24 21.98 Ginsenoside Ra3 C59H100O27 1210.6346 1241.6524[M+H+], 1263.6344[M+Na]+ 1263.63442 1.1
25 22.24 Ginsenoside F5 C41H70O13 1240.6452 771.48892[M+H], 793.47086[M+Na] 793.47221 1.7
26 22.32 Notoginsenoside R4(r) C59H100O27 1240.6452 1241.6524[M+H+], 1263.6344[M+Na+] 1263.63638 1.6
27 22.396 Ginsenoside Rb1 C54H92O23 1108.6029 1109.6102[M+H+], 1131.5921[M+Na+] 1131.5928 0.6
28 22.95 Malonyl Ginsenoside Ra3 C62H102O30 1326.6450 1327.6528[M+H+], 1349.6348[M+Na+] 1349.63545 0.5
29 23.13 Malonyl Ginsenoside Rb1 C57H94O26 1194.6033 1195.6106[M+H+], 1217.5925[M+Na+] 1217.59302 0.4
30 23.2 Ginsenoside Ro C48H76O19 1078.5924 1079.5996[M+H+], 1101.5816[M+Na+] 1101.5813 −0.3
31 23.3 Ginsenoside Rc C53H90O22 956.4981 957.5053[M+H+], 975.5397[M+H++NH4+], 979.4873[M+Na+] 979.48822 0.9
32 23.468 Ginsenoside Ra1 C58H98O26 1210.6346 1211.6419[M+H+], 1233.6238[M+Na+] 1233.62397 0.1
33 23.985 Malonyl Ginsenoside Ra2/ra1 C61H100O29 1296.6345 1297.6423[M+H+], 1319.6242[M+Na+] 1319.62522 0.7
34 24.122 Malonyl Ginsenoside Rc C56H92O25 1164.5928 1165.6000[M+H+], 1188.5898[M+H+Na+] 1188.58585 −3.3
35 24.345 Ginsenoside Rb2 C53H90O22 1078.5924 1079.5996[M+H+], 1101.5816[M+Na+] 1101.58222 0.6
36 24.515 Malonyl ginsenoside Rb1
isomer		 C57H94O26 1194.6028 1195.6106[M+H+], 1217.5925[M+Na+] 1217.59381 1
37 24.75 Pseudo ginsenoside RT1 C47H74O18 926.4870 927.49479[M+H+], 944.52134[M+NH4+] 944.52255 1.3
38 24.752 Ginsenoside Rb3 C53H90O22 1078.5924 1079.5996[M+H+], 1101.5816[M+Na+] 1101.58357 1.8
39 24.968 Malonyl Ginsenoside Rb3 C56H92O25 1164.5922 1165.6000[M+H+], 1187.5819[M+Na+] 1187.582 0
40 25.072 Malonyl Ginsenoside Rb2 C56H92O25 1164.5928 1165.6000[M+H+], 1187.5819[M+Na+] 1187.58208 0.1
41 25.433 Malonyl Ginsenoside Rb3 isomer C56H92O25 1164.5922 1165.6000[M+H+], 1187.5819[M+Na+] 1187.582 0
42 26.372 Ginsenoside Rd C48H82O18 946.5501 947.5573[M+H+], 969.5393[M+Na+] 969.54125 2
43 26.616 Ginsenoside Rs1 C55H92O23 1120.6024 1121.6102[M+H+], 1143.5921[M+Na+] 1143.59365 1.3
44 27.07 Malonyl Ginsenoside Rd isomer C51H84O21 1032.5505 1033.5577[M+H+], 1055.5397[M+Na+] 1055.5406 0.8
45 27.47 Malonyl Ginsenoside Rd C51H84O21 1032.5500 1033.5577[M+H+], 1055.5397[M+Na+] 1055.53985 0.1
46 27.607 Ginsenoside Rs2 C55H92O23 1120.6024 1121.6102[M+H+] 1121.60602 −3.7
47 28.359 Gypenoside XVII C48H82O18 946.5501 969.5393[M+Na+] 969.5398 0.5
48 29.48 Ginsenoside Ra7 C57H94O23 1146.6180 1147.6258[M+H+] 1169.60771 −0.1
49 29.712 Notoginsenoside Fe C47H80O17 916.5390 917.5468[M+H+], 939.5287[M+Na+] 939.51939 −10
50 30.486 Ginsenoside Rg6 C42H70O12 766.4867 767.4940[M+H+], 789.4759[M+Na+] 789.47806 2.7
51 30.498 Ginsenoside Ra8 C57H94O23 1146.6180 1147.6258[M+H+], 1169.6078[M+Na+] 1169.60795 0.1
52 30.695 Vinaginsenoside R16 C47H80O17 916.5390 917.5468[M+H+], 939.5287[M+Na+] 939.5298 1.1
53 31.17 Ginsenoside Rd2 C47H80O17 916.5390 917.54683[M+H+], 939.52877[M+Na] 939.53091 2.3
54 31.18 Ginsenoside Rg4 C42H70O12 766.4867 767.4940[M+H+], 789.4759[M+Na+] 789.47808 2.7
55 31.23 Gypenoside L C42H72O14 800.4922 801.4994[M+H+], 823.4814[M+Na+] 823.47816 −4
56 31.51 Ginsenoside Rk3 C36H60O8 620.4288 621.4361[M+H+], 643.4180[M+Na+] 643.41944 2.2
57 32.488 Ginsenoside Rh4 C36H60O8 620.4288 621.4361[M+H+], 643.4180[M+Na+] 643.42013 3.2
58 32.83 Vinaginsenoside R3 C48H82O17 930.5547 931.56248[M+H+], 953.54442[M+Na+] 953.54494 0.5
59 33.7 Ginsenoside F2 C42H72O13 784.4973 785.5045[M+H+], 807.4865[M+Na+] 807.4893 3.5
60 33.98 Ginsenoside Z-R1 C42H66O14 794.4447 812.47908[M+NH4+], 817.43448[M+Na+] 812.48052 1.8
61 34.865 3-Acetyl-ginsenoside F1 C38H64O10 680.4494 681.45722[M+H+], 703.43917[M+Na+] 703.44024 1.5
62 36.068 Ginsenoside Rg3(s) C42H72O13 784.4973 785.5045[M+H+], 807.4865[M+Na+] 807.48781 1.6
63 36.749 Ginsenoside Rg3(r) C42H72O13 784.4973 785.5045[M+H+], 807.4865[M+Na+] 807.48771 1.5
64 37.115 Protopanaxatriol C30H52O4 476.3866 477.3938[M+H+], 499.3757[M+Na+] 499.37701 2.5
65 39.19 Ginsenoside MC C41H70O12 754.4867 755.4940[M+H+], 777.4759[M+Na+] 777.47753 2
66 40.061 Ginsenoside CY C41H70O12 754.4867 755.4940[M+H+], 777.4759[M+Na+] 777.47797 2.6
67 40.79 Ginsenoside Rs3 C44H74O14 826.5073 827.51513[M+H+], 849.49708[M+Na+] 849.49804 1.1
68 41.56 Ginsenoside Rs4 C44H72O13 808.4967 809.50457[M+H+], 831.48651[M+Na+] 809.50558 1.2
69 43.59 Ginsenoside Rk1 C42H70O12 766.4867 767.4940[M+H+], 789.4759[M+Na+] 789.47753 2
70 44.786 Ginsenoside Rg5 C42H70O12 766.4867 767.4940[M+H+], 789.4759[M+Na+] 789.47768 2.2
71 45.863 Ginsenoside CK C36H62O8 622.4445 623.4517[M+H+], 645.4336[M+Na+] 645.43508 2.2
72 47.211 Ginsenoside Rh2(s) C36H62O8 622.4445 623.4517[M+H+], 645.4336[M+Na+] 645.4345 1.3
73 47.798 Ginsenoside Rh2(r) C36H62O8 622.4445 623.4517[M+H+], 645.4336[M+Na+] 645.43508 2.2
74 48.11 Pseudo ginsenoside Rh2 C36H62O8 622.4439 623.45175[M+H]+, 645.43369[M+Na+] 645.43447 1.2
75 49.34 Ginsenoside Rs5 C44H72O13 808.4967 809.50457[M+H+], 831.48651[M+Na+] 831.48782 1.6
76 52.171 Ginsenoside Rk2 C36H60O7 604.4339 627.4231[M+Na+] 627.42291 −0.3
77 52.62 Ginsenoside Rh3 C36H60O7 604.4339 627.4231[M+Na+] 627.42329 0.3
78 56.123 Protopanaxadiol C30H52O3 460.3916 461.3989[M+H+], 483.3808[M+Na+] 483.3809 0.1
79 60.9 Ginsenoside Rs6/Rs7 C38H62O9 662.4388 663.4466[M+H+], 685.4286[M+Na+] 685.43639 11.4