Journal of Analytical Methods in Chemistry

Research Article

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

Table 2

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


No.	Identity	Formula	Rt	Theoretical value	Actual value	Ppm	Main MS/MS fragments detected	Saponin type	Ref.

1	Ginsenoside Re₅	C₄₂H₇₂O₁₅	4.65	861.4848 [M + HCOO]⁻	861.4824 [M + HCOO]⁻	−2.79	415.0735 [M-H-GlcUA-Rha-CH₃COOH-H₂O]⁻	PPT	[23]

2	20-O-glucosylginsenoside Rf	C₄₈H₈₂O₁₉	6.09	1007.5427 [M + HCOO]⁻	1007.5408 [M + HCOO]⁻	−1.89	961.5369 [M-H]⁻ 799.4875 [M-H-Glc]⁻ 637.4326 [M-H-2Glc]⁻ 475.3742 [M-H-3Glc]⁻	PPT	[24]

3	Notoginsenoside R₁	C₄₇H₈₀O₁₈	6.23	977.5321 [M + HCOO]⁻	977.5280 [M + HCOO]⁻	−4.19	931.5211 [M-H]⁻ 799.4812 [M-H-Xyl]⁻ 637.4296 [M-H-Xyl-Glc]⁻ 475.3794 [M-H-Xyl-2Glc]⁻	PPT	[24]

4	Ginsenoside Re	C₄₈H₈₂O₁₈	6.48	991.5478 [M + HCOO]⁻	991.5457 [M + HCOO]⁻	−2.12	945.5381 [M-H]⁻ 799.4808 [M-H-Rha]⁻ 783.4891 [M-H-Glc]⁻ 637.4294 [M-H-Glc-Rha]⁻ 475.3801 [M-H-2Glc-Rha]⁻	PPT	[24–27]

5	Ginsenoside Rg₁	C₄₂H₇₂O₁₄	6.52	845.4899 [M + HCOO]⁻	845.4871 [M + HCOO]⁻	−3.31	799.4819 [M-H]⁻ 637.4293 [M-H-Glc]⁻ 475.3802 [M-H-2Glc]⁻	PPT	[27, 28]

6	Ginsenoside Rg₇	C₄₂H₇₂O₁₄	6.54	845.4899 [M + HCOO]⁻	845.4870 [M + HCOO]⁻	−3.43	799.4816 [M-H]⁻ 637.4293 [M-H-Glc]⁻ 475.3775 [M-H-2Glc]⁻	PPT	[24, 27]

7	Malonyl-ginsenoside Rg₁	C₄₅H₇₄O₁₇	6.72	885.4848 [M-H]⁻	885.4771 [M-H]⁻	−8.70	841.4857 [M-H-CO₂]⁻ 799.4765 [M-H-Mal]⁻ 781.4659 [M-H-Mal-H₂O]⁻ 637.4263 [M-H-Mal-Glc]⁻ 619.4142 [M-H-Ma-H₂O-Glc]⁻ 475.3755[M-H-Mal-2Glc]⁻	PPT	[27–29]

8	Yesanchinoside D (6'-O-acetyl-ginsenoside Rg₁)	C₄₄H₇₄O₁₅	7.31	887.5004 [M + HCOO]⁻	887.4955 [M + HCOO]⁻	−5.52	841.4865 [M-H]⁻ 781.4639 [M-CH₃COOH]⁻	PPT	[24]

9	Notoginsenoside R₂	C₄₁H₇₀O₁₃	7.35	815.4793 [M + HCOO]⁻	815.4787 [M + HCOO]⁻	−0.74	769.4833 [M-H]⁻ 637.4329 [M-H-Xyl]⁻ 475.3798 [M-H-Xyl-Glc]⁻	PPT	[27, 30]

10	Ginsenoside Rf	C₄₂H₇₂O₁₄	8.15	845.4899 [M + HCOO]⁻	845.4879 [M + HCOO]⁻	−2.37	799.4833 [M-H]⁻ 781.4752 [M-H-H₂O]⁻ 637.4337 [M-H-Glc]⁻ 475.3816 [M-H-2Glc]⁻	PPT	[24]

11	Malonyl-ginsenoside Rb₁	C₅₇H₉₄O₂₆	8.42	1193.5955 [M-H]⁻	1193.5938 [M-H]⁻	−1.42	1149.6027 [M-H-CO₂]⁻ 1107.5938 [M-H-Mal]⁻ 945.5364 [M-H-Mal-Glc]⁻ 783.4828 [M-H-Mal-2Glc]⁻ 765.4836 [M-H-Mal-2Glc-H₂O]⁻ 621.4205 [M-H-Mal-3Glc]⁻ 459.3793 [M-H-Mal-4Glc]⁻	PPD	[24, 27, 30]

12	Malonyl-ginsenoside Rc	C₅₆H₉₂O₂₅	8.60	1163.5849 [M-H]⁻	1163.5798 [M-H]⁻	−4.38	1119.5902 [M-H-CO₂]− 1077.5809 [M-H-Mal]− 945.5629 [M-H-Mal-Xyl]− 783.4856 [M-H-Mal-Xyl-Glc]− 621.4377 [M-H-Mal-Xyl-2Glc]− 459.3702 [M-H-Mal- Xyl-3Glc]−	PPD	[24, 26, 27, 30]

13	Ginsenoside Ro	C₄₈H₇₆O₁₉	8.64	955.4903 [M-H]⁻	955.4875 [M-H]⁻	−2.93	955.4875 [M-H]⁻ 793.4306 [M-H-Glc]⁻ 569.3799 [M-H-CO₂-H₂O-2Glc]⁻ 455.3496 [M-H-2Glc-GlcUA]⁻	OLE	[24, 27]

14	Ginsenoside Rc	C₅₃H₉₀O₂₂	8.75	1123.5900 [M + HCOO]⁻	1123.5856 [M + HCOO]⁻	−3.92	1077.5808 [M-H]⁻ 945.5377 [M-H-Xyl]⁻ 783.4871 [M-H-Xyl-Glc]⁻ 621.4434 [M-H-Xyl-2Glc]⁻ 459.3853 [M-H-Xyl-3Glc]⁻	PPD	[24, 27, 30]

15	Ginsenoside Rb₂/ginsenoside Rb₃	C₅₃H₉₀O₂₂	8.76	1123.5900 [M + HCOO]⁻	1123.5859 [M + HCOO]⁻	−3.65	1077.5814 [M-H]⁻ 945.5422 [M-H-Xyl]⁻ 783.4926 [M-H-Xyl-Glc]⁻ 621.4468 [M-H-Xyl-2Glc]⁻ 459.3786 [M-H-Xyl-3Glc]⁻	PPD	[24, 25, 27]

16	Malonyl-ginsenoside Rb₂	C₅₆H₉₂O₂₅	8.81	1163.5849 [M-H]⁻	1163.5817 [M-H]⁻	−2.75	1119.5912 [M-H-CO₂]− 1077.5797 [M-H-Mal]− 945.5309 [M-H-Mal-Xyl]− 783.4660 [M-H-Mal-Xyl-Glc]− 621.4481 [M-H-Mal-Xyl-2Glc]− 459.3897 [M-H-Mal-Xyl-3Glc]−	PPD	[24, 30]

17	Malonyl-ginsenoside Rb₃	C₅₆H₉₂O₂₅	9.06	1163.5849 [M-H]⁻	1163.5876 [M-H]⁻	2.32	1077.5974 [M-H-Mal]⁻ 945.5316 [M-H-Mal-Xyl]⁻ 783.5035 [M-H-Mal-Xyl-Glc]⁻ 621.4245 [M-H-Mal-Xyl-2Glc]⁻ 459.3838 [M-H-Mal-Xyl-3Glc]⁻	PPD	[24]

18	Zingibroside R₁	C₄₂H₆₆O₁₄	9.24	793.4374 [M-H]⁻	793.4355 [M-H]⁻	−2.39	631.38266 [M-H-Glc]⁻ 569.3931 [M-H-Glc-CO₂-H₂O]⁻ 455.3629 [M-H-Glc-GlcUA]⁻	OLE	[27]

19	Ginsenoside Rd	C₄₈H₈₂O₁₈	9.29	991.5478 [M + HCOO]⁻	991.5463 [M + HCOO]⁻	−1.51	945.5413 [M-H]⁻ 783.4880 [M-H-Glc]⁻ 621.4258 [M-H-2Glc]⁻ 459.3817 [M-H-3Glc]⁻ 161.0483 [Glc-H]⁻	PPD	[24, 26, 27]

20	Malonyl-ginsenoside Re	C₅₁H₈₄O₂₁	9.35	1031.5427 [M-H]⁻	1031.5428 [M-H]⁻	0.10	1031.5460 [M-H]⁻ 987.5533 [M-H-CO₂]⁻ 945.5430 [M-H-Mal]⁻ 783.4849 [M-H-Mal-Glc]⁻ 637.4373 [M-H-Mal-Rha-Glc]⁻ 475.3859 [M-H-Mal-Rha-2Glc]⁻	PPT	[24, 27]

21	Notoginsenoside Fe/vina-ginsenoside R₁₆	C₄₇H₈₀O₁₇	10.09	961.5372 [M + HCOO]⁻	961.5469 [M + HCOO]⁻	10.09	915.5186 [M-H]⁻ 783.5407 [M-H-Xyl]⁻ 753.5070 [M-H-Glc]⁻ 621.4315 [M-H-Xyl-Glc]⁻ 459.3875 [M-H-Xyl-2Glc]⁻	PPD	[27]

22	Malonyl-notoginsenoside Fe	C₅₀H₈₂O₂₀	10.14	1001.5321 [M-H]⁻	1001.5320 [M-H]⁻	−0.10	783.4836 [M-H-Xyl-Mal]⁻ 459.3748 [M-H-Xyl-Mal-2Glc]⁻	PPD	[27]

23	Ginsenoside F₂/ginsenoside Rg₃	C₄₂H₇₂O₁₃	11.62	829.4949 [M + HCOO]⁻	829.4916 [M + HCOO]⁻	−3.98	783.4875 [M-H]⁻ 621.4391 [M-H-Glc]⁻ 459.3772 [M-H-2Glc]⁻	PPD	[27, 31, 32]