Chemical Differentiation and Quantitative Analysis of Different Types of Panax Genus Stem-Leaf Based on a UPLC-Q-Exactive Orbitrap/MS Combined with Multivariate Statistical Analysis Approach

Table 9

Characterization of analysis markers in CGSL and FGSL based on −ESI full scan MS data.

Variable	Theoretical (m/z)	Measured (m/z)	Mass error (ppm)	Compounds	Elemental composition	Adduct ions
1117.53@22.49	1117.5284	1117.5286	0.21	—	C49H84O25	[M + HCOO]^−
1119.58@22.31	1119.5804	1119.5806	0.18	—	C50H90O24	[M + HCOO]^−
1005.52@12.54	1005.5123	1005.5150	2.78	—	C44H80O22	[M + HCOO]^−
Rb1	1107.5957	1107.5918	−3.52	Rb1	C54H92O23	[M-H]^−
Rg1	845.4904	845.4794	−3.54	Rg1	C42H72O14	[M + HCOO]^−
R1	977.5327	977.5301	−2.66	R1	C47H80O18	[M + HCOO]^−
975.54@20.84	975.5534	975.5498	−3.69	Vina-ginsenoside R3	C48H82O17	[M + HCOO]^−
887.49@12.82	887.4857	887.4889	3.78	—	C40H74O18	[M + HCOO]^−
941.50@25.29	941.4963	941.4987	2.56	—	C44H78O21	[M-H]^−
1033.55@15.42	1033.5436	1033.5457	2.1	—	C46H84O22	[M + HCOO]^−
699.42@15.01	699.4266	699.4235	−4.78	—	C43H58O5	[M + HCOO]^−
1017.51@25.97	1017.5123	1017.5147	2.44	—	C45H80O22	[M + HCOO]^−
815.47@17.26	815.4798	815.4695	−4.05	Ginsenoside F5	C41H70O13	[M + HCOO]^−
939.48@25.88	939.4806	939.4844	4.01	—	C44H76O21	[M-H]^−
1149.56@25.57	1149.5546	1149.5550	0.37	—	C50H88O26	[M + HCOO]^−
975.51@22.56	975.5018	975.5056	4.12	—	C43H78O21	[M + HCOO]^−
991.50@15.87	991.4967	991.4990	2.45	—	C48H82O18	[M + HCOO]^−
957.50@25.45	957.4912	957.4942	3.29	—	C43H76O20	[M + HCOO]^−
971.51@25.5	971.5068	971.5085	1.78	—	C44H78O20	[M + HCOO]^−
957.50@24.95	957.4912	957.4941	3.18	—	C43H76O20	[M + HCOO]^−
961.53@22.27	961.5225	961.5259	3.71	—	C43H80O20	[M + HCOO]^−
1107.54@20.3	1107.5440	1107.5445	0.43	—	C49H88O27	[M + HCOO]^−
1093.57@14.55	1093.5648	1093.5688	3.69	—	C49H90O26	[M + HCOO]^−
973.49@17.4	973.4861	973.4883	2.36	—	C43H76O21	[M + HCOO]^−
1089.53@24.31	1089.5335	1089.5349	1.32	—	C49H86O26	[M + HCOO]^−
815.47@18.11	815.4798	815.4777	−2.58	Ginsenoside F3	C41H70O13	[M + HCOO]^−