Network Pharmacology Analysis and Molecular Characterization of the Herbal Medicine Formulation Qi-Fu-Yin for the Inhibition of the Neuroinflammatory Biomarker iNOS in Microglial BV-2 Cells: Implication for the Treatment of Alzheimer’s Disease

Table 1

Chemicals identified from HPC chromatograms of 90% RS (from 30 to 55 min) and 90% RS-F9.

Peak	(min)	Identification	Molecular formula	Major fragment				Other fragments	Possible source
				Theoretical	Experimental	Error (ppm)	Adduct ion
1	34.149	Ginsenoside Re	C48H82O18	991.5483	991.5512	2.92	[M+HCOO]^-	945.544 [M-H]^-799.4846 [M-H-(Rha-H2O)]^-475.3788 [M-H-(Rha-H2O)-2(Glc-H2O)]^-	Roots
2	34.530	Ginsenoside Rg1	C42H72O14	845.4904	845.4911	0.83	[M+HCOO]^-	799.5847 [M-H]^-637.4322 [M-H-(Glc-H2O)]^-475.3792 [M-H-2(Glc-H2O)]^-	Roots
3	42.229	Gomisin P isomer	C23H28O8	431.1711	431.1720	2.09	[M-H]^-	384.9360 [M-H-(CHO)-(H2O)]^-	Metabolite
4	42.847	Ginsenoside Rf	C42H72O14	845.4904	845.4911	0.83	[M+HCOO]^-	799.4680 [M-H]^-637.4319 [M-H-(Glc-H2O)]^-475.3799 [M-H-2(Glc-H2O)]^-	Roots
5	43.490	Notoginsenoside R2	C41H70O13	815.4798	815.4802	0.49	[M+HCOO]^-	769.4750 [M-H]^-637.4325 [M-H-(Ara/Xyl-H2O)]^-475.3795 [M-H-(Ara/Xyl-H2O)-(Glc-H2O)]^-	Roots
6	44.903	20(S)-Ginsenoside Rg2	C42H72O13	829.4955	829.4969	1.69	[M+HCOO]^-	783.4918 [M-H]^-637.4321 [M-H-(Rha-H2O)]^-475.3800 [M-H-(Rha-H2O)-(Glc-H2O)]^-	Roots
7	45.431	20(S)-Ginsenoside Rh1	C36H62O9	683.4376	683.4383	1.02	[M+HCOO]^-	637.4325 [M + cl]^-475.3789 [M-H-(Glc-H2O)]^-	Roots
8	46.106	20(R)-Ginsenoside Rg2	C42H72O13	829.4955	829.4969	1.69	[M+HCOO]^-	783.4916 [M-H]^-637.4325 [M-H-(Rha-H2O)]^-475.3798 [M-H-(Rha-H2O)-(Glc-H2O)]^-	Roots
9	46.868	20(R)-Ginsenoside Rh1	C36H62O9	683.4376	683.4383	1.02	[M+HCOO]^-	637.4322 [M + cl]^-475.3796 [M-H-(Glc-H2O)]^-	Roots
10	48.833	Ginsenoside Ro	C48H76O19	955.4908	955.4914	0.63	[M-H]^-	793.4452 [M-H-(Glc-H2O)]^-	Roots
11	49.094	Ginsenoside Rb1	C54H92O23	1153.6011	1153.6010	0.26	[M+HCOO]^-	1107.5979 [M-H]^-945.5461 [M-H-(Glc-H2O)]^-783.4906 [M-H-2(Glc-H2O)]^-	Roots
12	49.180	Ginsenoside Rc	C53H90O22	1123.5906	1123.5920	0.80	[M+HCOO]^-	1077.5878 [M-H]^-945.5437 [M-H-(Ara(f)-H2O)]^-783.4902 [M-H-(Glc-H2O)-(Ara(f)-H2O)]^-	Roots
13	49.419	Ginsenoside Rb2	C53H90O22	1123.5906	1123.5920	0.80	[M+HCOO]^-	1077.5878 [M-H]^-945.5437 [M-H-(Ara(p)-H2O)]^-783.4902 [M-H-(Glc-H2O)-(Ara(p)-H2O)]^-	Roots
14	49.654	Ginsenoside Rg6	C42H70O12	811.4849	811.4868	2.34	[M+HCOO]^-	765.4806 [M-H]^-619.4227 [M-H-(Rha-H2O)]^-457.3683 [M-H-(Glc-H2O)-(Rha-H2O)]^-	Steamed roots
15	49.742	Ginsenoside Rd	C48H82O18	991.5483	991.5506	2.32	[M+HCOO]^-	945.5441	Steamed roots
16	49.771	Ginsenoside Rk3	C36H60O8	665.4270	665.4280	1.50	[M+HCOO]^-	619.4262 [M-H]^-	Steamed roots
17	49.801	Ginsenoside F4	C42H70O12	811.4849	811.4855	0.74	[M+HCOO]^-	765.4807 [M-H]^-619.4224 [M-H-(Rha-H2O)]^-457.3696 [M-H-(Glc-H2O)-(Rha-H2O)]^-	Leaves
18	49.947	Ginsenoside Rh4	C36H60O8	665.4270	665.4280	1.50	[M+HCOO]^-	619.4205 [M-H]^-	Steamed roots
19	50.681	20(S)-Ginsenoside Rg3	C42H72O13	829.4955	829.4971	1.93	[M+HCOO]^-	783.7922 [M-H]^-621.4373 [M-H-(Glc-H2O)]^-459.3856 [M-H-(Glc-H2O)]^-	Steamed roots
20	50.768	20(R)-Ginsenoside Rg3	C42H72O13	829.4955	829.4965	1.21	[M+HCOO]^-	783.4906 [M-H]^-621.4386 [M-H-(Glc-H2O)]^-459.3847 [M-H-(Glc-H2O)]^-	Steamed roots
21	51.472	Ginsenoside Rk1	C42H70O12	811.4849	811.4848	-0.12	[M+HCOO]^-	765.4803 [M-H]^-603.4266 [M-H-(Glc-H2O)]^-	Steamed roots
22	51.619	Ginsenoside Rg5	C42H70O12	811.4849	811.4868	2.34	[M+HCOO]^-	765.4806 [M-H]^-603.4276 [M-H-(Glc-H2O)]^-	Steamed roots

Rha: α-L-rhamnose; Glc: β-D-glucose; Ara(p): α-L-arabinose (pyranose); Ara(f): α-L-arabinose (furanose); Xyl: β-D-xylose.