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

Table 4

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

No.	Identity	Formula	Rt	Theoretical value	Actual value	Ppm	Main MS/MS fragments detected	Saponin type	Ref.
1	Notoginsenoside N/M/R6/R3/20-glc-ginsenoside-Rf	C48H82O19	6.08	1007.5427 [M + HCOO]^−	1007.5358 [M + HCOO]^−	−6.85	799.4779 [M-H-Glc]^−; 637.4254 [M-H-2Glc]^−	PPT	[31]
2	Ginsenoside Re1/Re2/Re3	C48H82O19	6.10	1007.5427 [M + HCOO]^−	1007.5357 [M + HCOO]^−	−6.95	799.4781 [M-H-Glc]^−; 637.4270 [M-H-2Glc]^−	PPT	[31, 32]
3	Vina-ginsenoside R7	C53H90O22	6.13	1123.5900 [M + HCOO]^−	1123.5768 [M + HCOO]^−	−1.75	1077.5750 [M-H]^−; 945.5393 [M-H-Xyl]^−; 621.2886 [M-H-Xyl-2Glc]^−	PPD	[31, 32]
4	Ginsenoside Rb3/ginsenoside Rc	C53H90O22	6.14	1123.5900 [M + HCOO]^−	1123.5845 [M + HCOO]^−	−4.90	945.5501 [M-H-Xyl/Ara]^−; 783.4982 [M-H-Xyl/Ara-Glc]^−; 765.4770 [M-H-Xyl/Ara-Glc-H2O]^−; 621.3179 [M-H-Xyl/Ara-2Glc]^−	PPD	[31]
5	Notoginsenoside R1/ginsenoside Re4/quinquenoside L17	C47H80O18	6.23	977.5321 [M + HCOO]^−	977.5490 [M + HCOO]^−	17.29	931.5217 [M-H]^−; 799.4762 [M-H-Xyl]^−; 637.4242 [M-H-Xyl-Glc]^−; 475.3714 [M-H-Xyl-2Glc]^−	PPT	[31]
6	Yesanchinoside B	C48H82O20	6.23	977.5321 [M-H]^−	977.5203 [M-H]^−	−12.07	977.5415 [M-H]^−; 653.3294 [M-H-2Glc]^−	OCO	[31, 32]
7	Ginsenoside Re	C48H82O18	6.48	991.5478 [M + HCOO]^−	991.5399 [M + HCOO]^−	−7.97	945.5347 [M-H]^−; 799.4775 [M-H-Rha]^−; 783.4836 [M-H-Glc]^−; 637.4283 [M-H-Rha-Glc]^-; 475.3784 [M-H-2Glc-Rha]^−	PPT	[31, 32]
8	Notoginsenoside K	C48H82O18	6.50	991.5478 [M + HCOO]^−	991.5387 [M + HCOO]^−	−9.18	945.5326 [M-H]^−; 783.4836 [M-H-Glc]^−	PPD	[31, 32]
9	Ginsenoside Rg1	C42H72O14	6.53	845.4899 [M + HCOO]^−	845.4824 [M + HCOO]^−	−8.87	799.4767 [M-H]^−; 637.4272 [M-H-Glc]^−; 475.3758 [M-H-2Glc]^−	PPT	[31, 32]
10	Majonoside R1	C42H72O14	7.77	861.4848 [M + HCOO]^−	861.4969 [M + HCOO]^−	14.05	815.4773 [M-H]^−; 653.4257 [M-H-Glc]^−; 491.3711 [M-H-2Glc]^−	OCO	[31, 32]
11	Ginsenoside Rf	C42H72O14	8.15	845.4899 [M + HCOO]^−	845.4889 [M + HCOO]^−	−1.18	799.4830 [M-H]^−; 637.4339 [M-H-Glc]^−; 475.3769 [M-H-2Glc]^−	PPT	[31, 32]
12	Tuberoside A	C48H76O19	8.23	955.4903 [M-H]^−	955.4896 [M-H]^−	−0.73	793.4327 [M-H-Glc]^−; 569.3922 [M-H-CO2-H2O-2Glc]^−	OLE	[31, 32]
13	Pseudoginsenoside F11	C42H72O14	8.24	845.4899 [M + HCOO]^−	845.4893 [M + HCOO]^−	−0.71	799.4825 [M-H]^−; 653.4245 [M-H-Rha]^−	OCO	[32]
14	Ginsenoside Ro	C48H76O19	8.66	955.4903 [M-H]^−	955.4905 [M-H]^−	0.21	793.4402 [M-H-Glc]^−; 613.3748 [M-H-H2O-2Glc]^−; 569.3944 [M-H-2Glc-H2O-CO2]^−; 455.3560 [M-H-2Glc-GlcUA]^−	OLE	[31, 32]
15	Hemsgiganoside B	C48H76O19	8.75	955.4903 [M-H]^−	955.4906 [M-H]^−	0.31	793.4359 [M-H-Glc]^−; 569.3929 [M-H-2Glc-H2O-CO2]^−	OLE	[31, 32]
16	Stipuleanoside R1/chikusetsusaponin Ib	C47H74O18	8.92	925.4797 [M-H]^−	925.4800 [M-H]^−	0.32	763.3628 [M-H-Glc]^−; 569.3837 [M-H-Glc-Ara-H2O-CO2]^−	OLE	[31, 32]
17	Pseudoginsenoside RT1	C47H74O18	8.94	925.4797 [M-H]^−	925.4786 [M-H]^−	−1.19	763.4263 [M-H-Glc]^−; 613.3727 [M-H-Glc-Xyl-H2O]^−; 569.3864 [M-H-Glc-Xyl-H2O-CO2]^−	OLE	[31, 32]
18	Chikusetsusaponin IV	C47H74O18	9.04	925.4797 [M-H]^−	925.4793 [M-H]^−	−0.43	613.3701 [M-H-Glc-Ara-H2O]^−; 569.3853 [M-H-Glc-Ara-H2O-CO2]^−	OLE	[31, 32]
19	Zingibroside R1	C42H66O14	9.28	793.4374 [M-H]^−	793.4355 [M-H]^−	−2.39	793.4355 [M-H]−; 631.3818 [M-H-Glc]−; 569.3826 [M-H-Glc-CO2-H2O]−; 455.3538 [M-H-Glc-GlcUA]−	OLE	[31, 32]
20	Ginsenoside Rd	C48H82O18	9.65	991.5478 [M + HCOO]^−	991.5479 [M + HCOO]^−	0.10	945.5435 [M-H]^−; 783.4866 [M-H-Glc]^−; 621.4390 [M-H-2Glc]^−; 459.3862 [M-H-3Glc]^−; 161.0467 [Glc-H]^−	PPD	[31, 32]
21	Ginsenoside Rg3/ginsenoside F2	C42H72O13	10.95	829.4949 [M + HCOO]^−	829.4946 [M + HCOO]^−	−0.36	783.4850 [M-H]^−; 621.4301 [M-H-Glc]^−; 459.3812 [M-H-2Glc]^−	PPD	[31, 32]
22	Chikusetsusaponin IVa	C42H66O14	11.03	793.4374 [M-H]^−	793.4355 [M-H]^−	−2.39	793.4348 [M-H]^−; 631.3970 [M-H-Glc]^−; 569.3805 [M-H-Glc-CO2-H2O]^−	OLE	[31, 32]
23	Cynarasaponin C	C42H66O14	11.05	793.4374 [M-H]^−	793.4331 [M-H]^−	−5.42	793.4328 [M-H]^−; 631.3818 [M-H-Glc]^−; 569.3826 [M-H-Glc-CO2-H2O]^−	OLE	[31, 32]
24	Ginsenoside Rg5	C42H70O12	11.61	811.4844 [M + HCOO]^−	811.4778 [M + HCOO]^−	−8.13	765.4724 [M-H]^−; 603.4313 [M-H-Glc]^−	PPD	[31, 32]
25	Pseudoginsenoside Rp1	C41H64O13	11.77	763.4269 [M-H]^−	763.4222 [M-H]^−	−6.16	613.3658 [M-H-Xyl-H2O]−; 569.3800 [M-H-Xyl-H2O-CO2]−	OLE	[31, 32]
26	Ginsenoside Rk1	C42H70O12	11.81	811.4844 [M + HCOO]^−	811.4800 [M + HCOO]^−	−5.42	765.4821 [M-H]^−; 603.4160 [M-H-Glc]^−; 161.0470 [Glc-H]^−	PPD	[31, 32]
27	Oleanolic acid-28-O-β-D-glucopyranose(PJS-1)	C36H58O8	12.62	663.4108 [M + HCOO]^−	663.4067 [M + HCOO]^−	−6.18	617.4132 [M-H]^−; 455.3546 [M-H-Glc]^−	OLE	[31, 32]

Ac: acetyl; Mal: malonyl; Glc: glucose residue; Ara: arabinose residue; Rha: rhamnose residue; Xyl: xylose residue; GlcUA: glucuronic acid; PPD: protopanaxadiol type; PPT: protopanaxatriol type; OLE: oleanane type; OCO: ocotillol type.