Integrated Brain Metabolomics and Network Pharmacology Analysis to Reveal the Improvement Effect of Bai Chan Ting on Parkinson’s Disease

Table 2

The identifification of potential biomarkers.

No.	ESI; mode	Metabolites	VIP	Measured mass(Da)	Calculated mass (Da)	Error m/z (ppm)	RT; (s)	Control vs; model; trend	Model vs; PT; trend
1	Neg	Phosphocreatine	1.5024	211.033	211.1131	0.0801	362.592	↓	↑
2	Neg	Galactonic acid	1.5926	196.051	196.1553	0.1043	371.962	↓	↑
3	Neg	Succinate	1.4109	118.019	118.088	0.069	387.540	↑	↓
4	Neg	Acetyl phosphate	1.0908	139.936	140.0319	0.0959	499.938	↓	↑
5	Neg	L-glutamate	1.1974	147.046	147.1293	0.0833	396.310	↑	↓
6	Neg	L-histidine	1.0672	155.062	155.1546	0.0926	425.167	↓	↑
7	Neg	L-methionine	1.0852	149.043	149.211	0.168	310.026	↓	↑
8	Neg	N-acetylmannosamine	1.4454	221.104	221.2078	0.1038	356.177	↓	↑
9	Neg	Nervonic acid	1.1663	366.342	366.6208	0.2788	125.617	↑	↓
10	Neg	Phosphoenolpyruvate	1.0987	167.964	168.042	0.078	458.221	↑	↓
11	Neg	Prostaglandin E2	1.0286	352.218	352.4651	0.2471	91.224	↑	↓
12	Neg	Taurocholate	1.0506	515.285	515.703	0.418	198.837	↓	↑
13	Neg	L-tyrosine	1.1096	181.066	181.1885	0.1225	302.726	↓	↑
14	Pos	1-Methylhistidine	1.6921	169.091	169.1811	0.0901	352.570	↑	↑
15	Pos	Alpha-linolenic acid	1.0387	279.257	278.4296	-0.8274	33.231	↓	↑
16	Pos	Argininosuccinic acid	1.2715	290.130	290.2731	0.1431	459.555	↓	↑
17	Pos	Dopamine	1.0788	153.075	153.1784	0.1034	291.703	↓	↑
18	Pos	Glutathione	1.6425	307.090	307.32	0.23	448.013	↓	↓
19	Pos	L-arginine	2.2639	174.118	174.201	0.083	393.471	↑	↓
20	Pos	L-cysteine	1.9694	122.051	121.158	-0.893	227.686	↑	↓
21	Pos	L-proline	1.4740	115.070	115.1305	0.0605	300.404	↑	↑
22	Pos	L-pyroglutamic acid	1.2330	130.075	129.114	-0.961	392.084	↓	↑
23	Pos	Prostaglandin I2	1.2633	352.230	352.4651	0.2351	202.732	↓	↑
24	Pos	4-Guanidinobutyric acid	1.4416	145.091	145.1597	0.0687	349.299	↑	↓
25	Pos	4-Aminobutyric acid	1.9662	103.069	103.1198	0.0508	362.801	↓	↑