Rapid Identification of Characteristic Chemical Constituents of Panax ginseng, Panax quinquefolius, and Panax japonicus Using UPLC-Q-TOF/MS

Table 3

Cracking information of chemical components in PQ under negative ion mode.

No.	Identity	Formula	Rt	Theoretical value	Actual value	Ppm	Main MS/MS fragments detected	Saponin type	Ref.
1	Ginsenoside Re	C48H82O18	6.47	991.5478 [M + HCOO]^−	991.5468 [M + HCOO]^−	−1.01	945.5403 [M-H]^−; 799.4841 [M-H-Rha]^−; 783.4899 [M-H-Glc]^−; 637.4333 [M-H-Glc-Rha]^−; 475.3792 [M-H-2Glc-Rha]^−	PPT	[28]
2	Gypenoside X VII	C48H82O18	6.50	991.5478 [M + HCOO]^−	991.5472 [M + HCOO]^−	−0.61	945.5408 [M-H]^−; 783.4871 [M-H-Glc]^−; 621.4116 [M-H-2Glc]^−; 459.7427 [M-H-3Glc]^−; 161.0451 [Glc-H]^−	PPD	[28]
3	Malonyl-ginsenoside Rc	C56H92O25	6.87	1209.5904 [M + HCOO]^−	1209.5897 [M + HCOO]^−	−0.58	1119.4801 [M-H-CO2]−; 1077.7046 [M-H-Mal]−; 1077.7046 [M-H-Mal]−; 783.4866 [M-H-Mal-Xyl-Glc]−	PPD	[28]
4	Ginsenoside Rg1	C42H72O14	6.93	845.4899 [M + HCOO]^−	845.4886 [M + HCOO]^−	−1.54	799.4836 [M-H]^−; 637.4357 [M-H-Glc]^−; 475.3795 [M-H-2Glc]^−	PPT	[28]
5	Acetyl-ginsenoside Rg1	C44H74O15	7.31	887.5004 [M + HCOO]^−	887.4990 [M + HCOO]^−	−1.58	841.4931 [M-H]^−; 799.4761 [M-H-Ac]^−; 781.4734 [M-H-Ac-H2O]^−; 679.4437 [M-H-Glc]^−; 637.4263 [M-H-Ac-Glc]^−; 619.4208 [M-H-Ac-Glc-H2O]^−; 475.3736 [M-H-Ac-2Glc]^−	PPT	[28, 31, 32]
6	Vina-ginsenoside R1	C44H74O15	7.32	887.5004 [M + HCOO]^−	887.4999 [M + HCOO]^−	−0.56	799.4686 [M-H-Ac]^−; 653.3508 [M-H-Ac-Rha]^−; 491.3585 [M-H-Ac-Rha-Glc]^−	OCO	[28]
7	Pseudoginsenoside RC1	C50H84O19	7.35	1033.5583 [M + HCOO]^−	1033.5575 [M + HCOO]^−	−0.77	987.5534 [M-H]^−; 945.5455 [M-H-Ac]^−; 783.4812 [M-H-Ac-Glc]^−; 621.4262 [M-H-Ac-2Glc]^−; 459.1374 [M-H-Ac-Glc]^−; 161.0461 [Glc-H]^−	PPD	[28]
8	Pseudoginsenoside RT2	C41H70O14	8.13	831.4742 [M + HCOO]^−	831.4772 [M + HCOO]^−	3.61	785.4709 [M-H]^−; 653.4288 [M-H-Xyl]^−	OCO	[28]
9	Majonoside R2	C41H70O14	8.14	831.4742 [M + HCOO]^−	831.4769 [M + HCOO]^−	3.25	785.4690 [M-H]^−; 653.4274 [M-H-Xyl]^−	OCO	[28]
10	Pseudoginsenoside F11	C42H72O14	8.25	845.4899 [M + HCOO]^−	845.4912 [M + HCOO]^−	1.54	799.4871 [M-H]^−; 653.4296 [M-H-Rha]^−; 491.3707 [M-H-Rha-Glc]^−; 145.0475 [Rha-H]^−	OCO	[28, 33, 34]
11	Malonyl-ginsenoside Rb1	C57H94O26	8.39	1193.5955 [M-H]^−	1193.5978 [M-H]^−	1.93	1149.6088 [M-H-CO2]^−; 1107.5940 [M-H-Mal]^−; 945.5502 [M-H-Mal-Glc]^−; 783.4980 [M-H-Mal-2Glc]^−; 621.4172 [M-H-Mal-3Glc]^−; 459.3224 [M-H-Mal-4Glc]^−	PPD	[28]
12	Malonyl-ginsenoside Rb2	C56H92O25	8.60	1163.5849 [M-H]^−	1163.5861 [M-H]^−	1.03	1119.4962 [M-H-CO2]−; 1077.5817 [M-H-Mal]−; 945.5414 [M-H-Mal-Xyl]−; 783.4878 [M-H-Mal-Xyl-Glc]−; 621.4401 [M-H-Mal-Xyl-2Glc]−; 459.2655 [M-H-Mal-Xyl-3Glc]−	PPD	[28]
13	Ginsenoside Ro	C48H76O19	8.65	955.4903 [M-H]^−	955.4913 [M-H]^−	1.05	955.4924 [M-H]^−; 793.4407 [M-H-Glc]^−; 569.3823 [M-H-CO2-H2O-2Glc]^−; 455.3648 [M-H-2Glc-GlcUA]^−	OLE	[28]
14	Malonyl-ginsenoside Rb3	C56H92O25	8.85	1163.5849 [M-H]^−	1163.5825 [M-H]^−	−2.06	1077.5806 [M-H-Mal]−; 945.5403 [M-H-Mal-Xyl]−; 783.4883 [M-H-Mal-Xyl-Glc]−; 621.4357 [M-H-Mal-Xyl-2Glc]−; 459.3861 [M-H-Mal-Xyl-3Glc]−	PPD	[28]
15	Zingibroside R1	C42H66O14	9.25	793.4374 [M-H]^−	793.4337 [M-H]^−	−4.66	793.4332 [M-H]^−; 631.3823 [M-H-Glc]^−; 569.3790 [M-H-Glc-CO2-H2O]^−; 455.3538 [M-H-Glc-GlcUA]^−	OLE	[28]
16	Ginsenoside Rd	C48H82O18	9.52	991.5478 [M + HCOO]^−	991.5460 [M + HCOO]^−	−1.82	945.5386 [M-H]^−; 783.4875 [M-H-Glc]^−; 621.4283 [M-H-2Glc]^−; 459.3574 [M-H-3Glc]^−	PPD	[28]
17	Quinquefolium III	C50H84O19	10.04	1033.5583 [M + HCOO]^−	1033.5500 [M + HCOO]^−	−8.03	945.5333 [M-H-Ac]^−; 783.4835 [M-H-Ac-Glc]^−; 621.4166 [M-H-Ac-2Glc]^−; 459.3737 [M-H-Ac-3Glc]^−; 161.0451 [Glc-H]^−	PPD	[28]
18	Malonyl-ginsenoside Rd	C50H84O19	10.41	1033.5583 [M + HCOO]^−	1033.5500 [M + HCOO]^−	−8.03	987.5585 [M-H]−; 945.5641 [M-H-Ac]−; 783.4999 [M-H-Ac-Glc]−; 621.4255 [M-H-Ac-2Glc]−	PPD	[28]
19	Quinquefolium I	C52H86O19	10.70	1059.5740 [M + HCOO]^−	1059.5701 [M + HCOO]^−	−3.68	945.5345 [M-H-C4H4O]^−; 783.4911 [M-H-C4H4O-Glc]^−; 621.4280 [M-H-C4H4O-2Glc]^−; 161.0440 [Glc-H]^−	PPD	[28, 29]
20	Ginsenoside Rg5/ginsenoside Rg6/ginsenoside Rk1/ginsenoside Rg4	C42H70O12	10.91	811.4844 [M + HCOO]^−	811.4832 [M + HCOO]^−	−1.48	765.4765 [M-H]^−; 619.4148 [M-H-Rha]^−; 603.2623 [M-H-Glc]^−; 457.2162 [M-H-Rha-Glc]^−; 161.0476 [Glc-H]^−	PPD	[28]
21	Ginsenoside Rg2	C42H72O13	10.95	829.4949 [M + HCOO]^−	829.4896 [M + HCOO]^−	−6.39	783.4891 [M-H]^−; 621.4318 [M-H-Glc]^−; 459.3699 [M-H-2Glc]^−	PPT	[28]
22	Chikusetsusaponin IVa	C42H66O14	11.02	793.4374 [M-H]^−	793.4336 [M-H]^−	−4.79	793.4336 [M-H]−; 631.3883 [M-H-Glc]−; 569.3820 [M-H-Glc-CO2-H2O]−; 455.3252 [M-H-Glc-GlcUA]−	OLE	[28]
23	Ginsenoside Rg3/ginsenoside F2	C42H72O13	11.62	829.4949 [M + HCOO]^−	829.4918 [M + HCOO]^−	−3.74	783.4839 [M-H]^−; 637.6862 [M-H-Rha]^−	PPD	[28]