International Journal of Analytical Chemistry

Research Article

Simultaneous Determination of 25 Ginsenosides by UPLC-HRMS via Quantitative Analysis of Multicomponents by Single Marker

Table 3

Characterization of compounds in Panax ginseng roots using UPLC-HRMS.


No.	Identification	Formula	T_R (min)	[M + COOH]^- (m/z)	[M-H]^-(m/z)	MS² fragment ions (m/z)

1	20-Glc-ginsenoside Rf	C48H82O19	1.05	1007.5447	961.5384	799.4883[M-H-Glc]^–637.4325[M-H-2Glc]^–475.3785[M-H-3G lc]^–
2	Notoginsenoside R1 (nR1)	C47H80O18	1.17	977.5344	931.5288	799.4872[M- H-Xyl]^–637.4320[M-H-Xyl-Glc]^–475.3792[M-H-Xyl-2Glc]^–
3	Ginsenoside Rg1	C42H72O14	1.42	845.4910	799.4869	637.4324[M-H-Glc]^–475.3803[M-H-2Glc]^–
4	Ginsenoside Re	C48H82O18	1.46	991.5502	945.5451	799.4931[M-H-Rha]^–783.4944[M-H-Glc]^–637.4338[M-H-Glc-Rha]^–475.3784[M-H-2Glc-Rha]^–
5	Ginsenoside Rf	C42H72O14	4.05	845.4898	799.4855	637.4332[M-H-Glc]^–475.3791[M-H-2Glc]^–
6	Ginsenoside Ra3	C59H100O27	4.33	1285.6436	1239.6372	1107.6023[M-H-Xyl]^–945.5419[M-H-Xyl-Glc]^–783.4863[M-H-Xyl-2Glc]^–621.4360[M-H-Xyl-3Glc]^–
7	Ginsenoside F3/F5	C41H70O13	4.48	815.4810	769.4754	637.4333[M-H-Ara]^–475.3789[M-H-Ara-Glc]^–
8	Ginsenoside Rh1	C36H62O9	4.96	683.4381	637.4322	475.3778[M-H-Glc]^–
9	Ginsenoside Rg2	C42H72O13	5.03	829.4963	783.4898	637.4306[M-H-Rha]^–475.3807[M-H-Rha-Glc]^–
10	Ginsenoside Ra2	C58H98O26	5.23	1255.6328	1209.6276	1077.5858[M-H-Xyl]^–945.5414[M-H-Xyl-Ara (f)]^–783.4915[M-H-Xyl-Ara (f)-Glc]^–621.4380[M-H-Xyl-Ara (f)-2Glc ]^–459.3847[M-H-Xyl-Ara (f)-3Glc ]^–
11	Ginsenoside Rb1	C54H92O23	5.40	1153.6014	1107.5956	945.5421[M-H-Glc]^–783.4899[M-H-2Glc]^–621.4374[M-H-3Glc]^–459.3840[M-H-4Glc]^–
12	Ginsenoside Rc	C53H90O22	6.06	1123.5912	1077.5854	945.5413[M-H-Ara (f)]^–783.4907[M-H-Ara (f)-Glc] ^–621.4377[M-H-Ara (f)-2Glc]^–459.3847[M-H-Ara (f)-3Glc]^–
13	Ginsenoside Ra2-isomer	C58H98O26	6.27	1255.6329	1209.6266	1077.5870[M-H-Xyl]^–945.5418[M-H-Xyl-Ara (f)]^–783.4917[M-H-Xyl-Ara (f)-Glc]^–459.3863[M-H-Xyl-Ara (f)-3Glc]^–
14	Ginsenoside Ro	C48H76O19	6.44	-	955.4915	793.4398[M-H-Glc]^–631.3837[M-H-2Glc]^–455.3540[M-H-2Glc-GlcA]^–
15	Ginsenoside F1	C36H62O9	6.64	683.4385	637.4288	475.3827[M-H-Glc]^–
16	Ginsenoside Ra1	C58H98O26	6.68	1255.6334	1209.6271	1077.5790[M-H-Xyl]^–783.4831[M-H-Xyl-Ara (p)-Glc]^–621.4320[M-H-Xyl-Ara (p)-2Glc]^–
17	Ginsenoside Rb2	C53H90O22	7.09	1123.5912	1077.5859	945.5415[M-H-Ara (p)]^–783.4908[M-H-Ara (p)-Glc]^–621.4387[M-H-Ara (p)-2Glc]^–459.3847[M-H-Ara (p)-3Glc]^–
18	Ginsenoside Rb3	C53H90O22	7.48	1123.5916	1077.5838	945.5406[M-H-Xyl]^–783.4916[M-H-Xyl-Glc]^–621.4372[M-H-Xyl-2Glc]^–459.3855[M-H-Xyl-3Glc]^–
19	Ginsenoside Ra1-isomer	C58H98O26	8.03	1255.6338	1209.6284	1077.5868[M-H-Xyl]^–945.5466[M-H-Xyl-Ara (p)]^–783.4907[M-H-Xyl-Ara (p)-Glc]^–621.4337[M-H-Xyl-Ara (p)-2Glc]^–459.3868[M-H-Xyl-Ara (p)-3Glc]^–
20	Chikusetsusaponin Iva (CS-Iva)	C42H66O14	8.91	-	793.4395	631.3858[M-H-Glc]^–455.3555[M-H-Glc-GlcA]^–
21	Ginsenoside Rd	C48H82O18	9.21	991.5497	945.5438	783.4911[M-H-Glc]^–621.4377[M-H-2Glc]^–459.3850[M-H-3Glc]^–
22	Gypenoside XVII	C48H82O18	10.01	991.5506	945.5432	783.4890[M-H-Glc]^–621.4405[M-H-2Glc]^–
23	Notoginsenoside Fe (nFe)	C47H80O17	10.74	961.5374	915.5348	783.4901[M-H-Ara (f)]^–621.4399[M-H-Ara (f)-Glc]^–459.3845[M-H-Ara (f)-2Glc]^–
24	Compound O (CO)	C47H80O17	11.17	961.5401	915.5327	783.4915[M-H-Ara (p)]^–621.4379[M-H-Ara (p)-Glc]^–459.3847[M-H-Ara (p)-2Glc]^–
25	NotoginsenosideFd (nFd)	C47H80O17	11.54	961.5401	915.5330	783.4908[M-H-Xyl]^–621.4370[M-H-Xyl-Glc]^–459.3854[M-H-Xyl-2Glc]^–
26	Ginsenoside Rg6	C42H70O12	12.09	811.4872	765.4798	619.4215[M-H -Rha]^–
27	Ginsenoside Rk3	C36H60O8	12.51	665.4287	619.3349	—
28	Ginsenoside F4	C42H70O12	12.90	811.4871	765.4786	619.4219[M-H-Rha]^–457.3643[M-H-Rha-Glc]^–
29	Ginsenoside Rh4	C36H60O8	13.24	665.4284	619.3344	—
30	Ginsenoside F2	C42H72O13	13.62	829.4974	783.4861	621.4400[M-H-Glc]^–459.3816[M-H-2Glc]^–
31	PPT	C30H52O4	14.69	521.3853	475.3792	—
32	Glycoside D3a	C42H66O14	14.70	-	793.4392	613.3735[M-H-Glc-H₂O]^–455.3517[M-H-Glc-GlcA]^–
33	Gypenoside LXXV (G75)	C42H72O13	15.51	829.4975	783.4913	621.4393[M-H-Glc]^–459.3844[M-H-2Glc]^–
34	Ginsenoside Rg3	C42H72O13	15.79	829.4951	783.4912	621.4393[M-H-Glc]^–459.3845[M-H-2Glc]^–
35	20 (R)-Rg3	C42H72O13	16.28	829.4974	783.4905	621.4382[M-H-Glc]^–459.3864[M-H-2Glc]^–
36	Ginsenoside Mc	C41H70O12	17.31	799.4866	753.4793	621.4371[M-H-Ara (f)] ^–459.3869[M-H-Ara (f)-Glc]^–
37	Compound Y (CY)	C41H70O12	17.94	799.4868	753.4804	621.4374[M-H-Ara (p)]^–459.3866[M-H-Ara (p)-Glc]^–
38	Compound Mx (CMx)	C41H70O12	18.42	799.4869	753.4770	621.4406[M-H-Xyl]^–459.3858[M-H-Xyl-Glc]^–
39	Compound K (CK)	C36H62O8	19.30	667.4473	621.4392	459.3828[M-H-Glc]^–
40	Ginsenoside Rk1	C42H70O12	19.46	811.4865	765.4803	603.4224[M-H-Glc]^–
41	Ginsenoside Rg5	C42H70O12	19.55	811.4869	765.4843	603.4230[M-H-Glc]^–
42	Ginsenoside Rh2	C53H90O22	19.59	667.4438	621.4372	459.3831[M-H-Glc]^–
43	PPD	C30H52O3	20.99	505.3909	459.3843	—

Identified with a standard reference.