Journal of Analytical Methods in Chemistry

Research Article

Chemical Comparison of White Ginseng before and after Extrusion by UHPLC-Q-Orbitrap-MS/MS and Multivariate Statistical Analysis

Table 1

Compounds identified from white ginseng and extruded white ginseng.


No.	Rt (min)	Formula	Detected mass (Da)	Mass error (ppm)	MS/MS fragment ions	Identification

1	3.37	C₄₂H₇₂O₁₅	861.4844^a	1.0	650.2734, 542.4258, 415.3136	Ginsenoside Re₅
2	5.81	C₂₂H₃₂O₁₃	503.1771^b	0.2	473.1600, 415.2855, 390.2661	Cistanoside H
3	13.14	C₄₂H₇₂O₁₄	845.4894^a	1.2	799.4832, 637.4314, 475.3788	Ginsenoside Rg₁
4	13.57	C₄₈H₈₂O₁₈	991.5472^a	1.1	945.5403, 799.4826, 637.4302, 475.3785	Ginsenoside Re
5	15.24	C₄₅H₇₄O₁₇	885.4991^b	1.4	841.4911, 781.4704, 637.4300, 475.3782	Malonyl-ginsenoside Rg₁
6	16.2	C₅₁H₈₄O₂₁	1031.5425^b	0.7	945.5348, 783.4891, 637.4325, 475.3785	Malonyl-ginsenoside Re
7	18.55	C₄₂H₇₂O₁₄	845.4893^a	1.3	799.4816, 637.4309, 475.3787	Ginsenoside Rf
8	19.57	C₄₁H₇₀O₁₃	815.4793^a	0.6	637.4122,475.2591	Noto-ginsenoside R₂
9	20.04	C₅₉H₁₀₀O₂₇	1239.6353^b	0.9	1077.5878, 945.5434, 783.4840, 681.4325	Noto-ginsenoside R4/ginsenoside Ra3
10	21.03	C₄₂H₇₂O₁₃	829.4858^a	0.4	637.4292, 475.3785	Ginsenoside Rg₂
11	22.64	C₅₈H₉₈O₂₆	1255.6304^a	2.2	1239.6354, 1209.6183, 1007.5946, 945.5434, 799.4820, 650.1565, 475.3796	Ginsenoside Ra₂
12	23.04	C₅₄H₉₂O₂₃	1153.5977^a	1.2	1107.5927,945.5379,783.4874, 621.4355, 459.3850	Ginsenoside Rb₁
13	24.06	C₄₈H₇₆O₁₉	955.4892^b	1.7	793.4366, 613.3745, 569.3832, 455.3529	Ginsenoside Ro
14	24.19	C₅₇H₉₄O₂₆	1193.5942^b	1.6	1107.5925, 945.5403, 783.4891, 621.3830, 459.3846	Malonyl-ginsenoside Rb₁/isomer
15	24.39	C₅₃H₉₀O₂₂	1123.5885^a	1.9	1077.5790, 945.5386,7 83.4573, 621.2311,459.3891	Ginsenoside Rc
16	24.75	C₅₈H₉₈O₂₆	1255.6209^a	1.5	1239.6340, 1209.6176, 1007.5927, 945.5438, 799.4827, 650.1566, 475.3743	Ginsenoside Ra₁
17	25.25	C₃₆H₆₂O₉	683.4382^a	0.9	475.3733	Ginsenoside F₁
18	25.46	C₅₆H₉₂O₂₅	1163.5841^b	1.2	1077.5323,945.5419,783.4745, 621.42631,459.3257	Malonyl-ginsenoside Rc
19	25.66	C₅₃H₉₀O₂₂	1123.5887^a	1.7	1077.5820, 945.5396, 783.4877, 621.4354, 459.3839	Ginsenoside Rb₂
20	25.95	C₅₇H₉₄O₂₆	1193.5946^b	1.3	1149.6058, 1177.5963, 945.5458, 783.4924, 621.4364, 459.3817	Malonyl-ginsenoside Rb₁/isomer
21	26.03	C₅₃H₉₀O₂₂	1123.5873^a	2.9	1077.5817, 945.5402, 783.4875, 621.4353, 459.3840	Ginsenoside Rb₃
22	26.4	C₅₆H₉₂O₂₅	1163.584^b	1.3	1077.5225,945.5573,783.4354, 621.4602, 459.3924	Malonyl-ginsenoside Rb₂/isomer
23	26.75	C₅₆H₉₂O₂₅	1163.584^b	1.3	1077.5347, 945.5523, 783.4616, 621.4473, 459.3248	Malonyl-ginsenoside Rb₂/isomer
24	27.02	C₄₂H₆₆O₁₄	793.4374^b	0.8	631.3840, 569.3831, 455.3528	Chikusetsusaponin IVa
25	27.27	C₄₈H₈₂O₁₈	991.5472^a	1.5	783.4174, 621.3566, 459.3527	Ginsenoside Rd
26	27.48	C₅₆H₉₂O₂₅	1163.5837^b	1.5	1077.5360, 945.5741, 783.4784, 621.4541	Malonyl-ginsenoside Rb₃/isomer
27	27.83	C₅₁H₈₄O₂₁	1031.5424^b	0.8	945.5354, 783.4422, 637.4179, 475.3627	Malonyl-ginsenoside Rd
28	28.1	C₅₀H₈₄O₁₉	1033.5565^a	2.3	945.2658, 783.2891, 637.4630, 475.2571	Acetylginsenoside Re
29	28.22	C₅₅H₉₂O₂₃	1165.6007^a	0.3	1077.5847, 945.5405, 783.4880, 621.4357, 459.3843	GinsenosideRs1/Rs2/isomer
30	28.65	C₅₅H₉₂O₂₃	1119.5957^b	0.5	1077.5479, 945.5371, 783.4766, 621.4918, 459.3737	Ginsenoside Rs1/Rs2/isomer
31	28.86	C₅₁H₈₄O₂₁	1031.5422^b	0.1	945.52647, 783.4873, 621.4560, 459.7781	Malonyl-ginsenoside Rd/isomer
32	29.11	C₅₁H₈₄O₂₁	1031.5421^b	0.2	945.5331, 783.4842, 621.4179, 459.3679	Malonyl-ginsenoside Rd/isomer
33	29.34	C₅₄H₈₆O₂₄	1117.5417^b	1.7	945.5157, 783.4358, 621.4479, 459.3297	PPD-Glc-(Glc-Glc)-2malonyl
34	29.41	C₄₇H₈₀O₁₇	961.8364^a	1.5	915.5361, 785.9601, 621.4492, 459.3247	Noto-ginsenoside Fe/vinaginsenoside R₁₆
35	29.58	C₅₄H₈₆O₂₄	1117.5422^b	1.3	945.5359, 927.6159, 783.4793, 621.6795	PPD-Glc-(Glc-Glc)-2malonyl
36	29.77	C₅₀H₈₄O₁₉	1033.5579^a	1.0	987.5502,945.5998,783.4875, 459.3838	Pseudo-ginsenoside Rc₁
37	30.08	C₄₇H₈₀O₁₇	961.5368^a	1.0	915.5049, 783.2958, 621.4138, 459.3660	Noto-ginsenoside Fe/vinaginsenoside R₁₆
38	30.26	C₅₀H₈₂O₂₀	1001.5317^b	1.0	915.5296, 783.4793, 622.4159, 459.3647	Malonylnoto-ginsenoside Fe
39	32.16	C₄₂H₇₂O₁₃	829.4955^a	0.8	621.42671, 459.3097	Ginsenoside F₂
40	32.89	C₄₂H₆₆O₁₄	793.4374^b	0.8	631.3840, 569.3831, 497.3645, 455.3528	Zingibroside R₁
41	33.86	C₄₂H₇₂O₁₃	829.4947^a	1.0	637.4154, 475.3612	Ginsenoside Rg₃/isomer
42	34.12	C₄₂H₇₂O₁₃	829.4946^a	1.1	637.4304,475.3143	Ginsenoside Rg₃/isomer
43	34.72	C₄₂H₇₂O₁₄	799.4841^b	0.8	734.8464, 621.4331, 542.4661, 481.0309	Ginsenoside Rg₇
44	36.44	C₄₂H₇₀O₁₂	811.4843^a	0.7	765.4680, 649.9458, 545.0465, 432.8917, 304.9154	Ginsenoside Rg₅
45	36.70	C₃₆H₆₂O₈	667.4419^a	1.2	631.3836, 455.5328, 304.9154	Rh₂