Table 2.

Compounds identified from tissue extractions of Panax quinquefolium samples

Peak no.	Identity	tR (min)	Molecular formular	[M−H]+			[M−H+HCOOH]+ (mass accuracy, ppm)	Fragments of [M−H]+ (m/z)
				Mean measured mass (Da)	Theoretical exact mass (Da)	Mass accuracy (ppm)
1	20-Glc-G-Rf	6.58	C48H82O19	961.5522	961.5378	14.98	1007.5578	799.5047 [M−H−Glc]−
2	Notoginsenoside R1	7.04	C47H80O18	931.5186	931.5278	−9.88	977.5465	799.5026 [M−H−Xyl]− 637.4285[M−H−Glc−Xyl]−;
3	G-Rga1	8.04	C42H72O14	799.4975	799.4849	15.76	845.5026	637.4360 [M−H−Glc] − 475.3785 [M−H−2Glc]−
4	G-Rea	8.12	C48H82O18	945.5548	945.5428	12.69	991.5630	799.4935 [M−H−Rha]− 783.5029 [M−H−Glc]− 637.4407 [M−H−Rha−Glc] –
5	Malonyl-G-Rg1	9.25	C45H74O17	885.5082	885.4853	25.86	–	841.3240 [M−H−CO2]−
6	Malonyl-G-Re isomer	9.56	C51H84O21	1031.5547	1031.5432	11.15	–	987.5678[M−H−CO2]−
7	Malonyl-G-Re	10.32	C51H84O21	1031.5549	1031.5432	11.34	–	987.5644[M−H−CO2]−
8	Floralquinquenoside B	11.73	C42H72O15	815.4884	815.4793	11.16	–	637.4381[M−H−Rha−CH3OH]−
9	Floralquinquenoside D	12.65	C42H72O15	815.4882	815.4793	10.91	861.5002	653.4360 [M−H−Glc]−
10	Unknown	13.26	–	961.5559	–	–	1007.5580	–
11	Notoginsenoside Rw2	14.43	C41H70O14	785.4780	785.4687	11.84	831.4871	653.4361 [M−H−Xyl]− 491.3674 [M−H−Xyl−Glc]−
12	Pseudoginsenoside F11	14.99	C42H72O14	799.4831	799.4844	−1.63	845.5015	653.4385 [M−H−Rha]−
13	Notoginsenoside R2	15.89	C41H70O13	769.4573	769.4738	−21.44	815.4730	637.4392 [M−H−Xyl]− 475.3839 [M−H− Xyl−Glc]−
14	20 (S)-G-Rga2	17.23	C42H72O13	783.5029	783.4900	16.46	829.5054	637.4394 [M−H−Rha]− 475.3734 [M−H−Rha−Glc]−
15	G-Rba1	18.38	C54H92O23	1107.6097	1107.5957	12.64	–	945.5552[M−H−Glc]− 783.5012 [M−H−2Glc] −
16	Malonyl-G-Rb1	18.99	C57H94O26	1193.6113	1193.5961	12.73	–	1149.6201[M−H−CO2]−
17	G-Ro	19.33	C48H76O19	955.5077	955.4908	17.69	–	793.2586[M−H−Glc]−
18	G-Rc	19.34	C53H90O22	1077.5730	1077.5871	−13.08	–	945.5660 [M−H−Araf]− 783.4980 [M−H−Araf −Glc]−
19	Malonyl-G-Rb1 isomer I	19.63	C57H94O26	1193.6142	1193.5961	15.16	–	1149.6185[M−H−CO2]−
20	Unknown	19.80	–	1087.5461	–	–	–
21	Malonyl-G-Ra2	19.97	C56H92O25	1163.5993	1163.5855	11.86	–	1119.6041[M−H−CO2]−
22	Malonyl-G-Rb1 isomer II	20.38	C57H94O26	1193.6101	1193.5961	11.73	–	1149.6192[M−H−CO2]−
23	G-Rba2	20.47	C53H90O22	1077.5683	1077.5851	−15.59	1123.6337	945.5674 [M−H−Arap]−
24	G-Rb3	20.79	C53H90O22	1077.5977	1077.5851	11.69	1123.6637	945.5587 [M−H−Xyl]− 915.5474 [M−H−Glc]−
25	Unknown	20.91	–	1119.6015	–	–	–	925.4844
26	Ma- Rb2/Rb3 isomer	21.34	C56H92O25	1163.5992	1163.5849	12.29	–	1119.6007[M−H−CO2]−
27	O-acetyl-G-Rb1	21.68	C56H94O24	1149.6198	1149.6062	11.83	1195.6270	1107.6067 [M−H−Acetyl]− 945.5466 [M−H−Acetyl−Glc]−
28	Zingibroside R1	21.92	C42H65O14	793.4479	793.4374	13.23	–	631.3332[M−H−Glc]−
29	G-Rda	22.59	C48H82O18	945.5548	945.5428	12.69	991.5613	783.4985 [M−H−Glc]− 621.4432 [M−H−2Glc]−
30	Malonyl-G-Rd	23.18	C51H84O21	1031.5614	1031.5432	17.64	–	987.5682[M−H−CO2]−
31	G-Rd isomer	24.49	–	945.5543	945.5428	12.16	991.5069	783.4985 [M−H−Glc]− 621.4432 [M−H−2Glc]−
32	20 (S)-G-Rg3	27.55	C42H72O13	783.4978	783.4900	9.96	829.5057	621.4375 [M−H−Glc]− 459.4088 [M−H−2Glc]−
33	Chikusetsusaponin IVa	27.69	C42H66O14	793.4367	793.4380	−1.64	–	–
34	20 (R)-G-Rg3	28.14	C42H72O13	783.4982	783.4900	10.47	829.5065	621.4375 [M−H−Glc]− 459.3964 [M−H−2Glc]−

G ginsenoside, Glc β-d-glucopyranosyl, Rha α-l-rhamnopyranosyl, Xyl β-d-xylopyranosyl, Araf α-l-arabinofuranosyl, Arap α-l-arabinopyranosyl

^aIdentified with chemical marker