. 2020 Dec 17;7:589011. doi: 10.3389/fmed.2020.589011

Table 1.

Statistics of differential metabolites in the rat liver.

No	RT	VIP	Formula	Metabolites	SM	m/z	Fold Change
							PQ/C	AEE/PQ
1	1.036	1.08	C₆H₉N₃O₂	L-Histidine	ESI+	155.1546	0.86	1.03
2	1.146	2.51	C₆H₁₁NO₂	Pipecolic acid	ESI+	129.157	0.78	1.16^*
3	1.154	1.06	C₈H₂₀NO₆P	Glycerophosphocholine	ESI+	257.223	1.34	0.74^*
4	1.213	3.14	C₄H₇NO₃	Acetylglycine	ESI+	117.1033	0.77	1.63^*
5	1.314	1.05	C₆H₁₃NO	N-(2-Methylpropyl)acetamide	ESI+	115.1735	1.04	1.47^*
6	1.817	2.46	C₄H₈N₂O₃	D-Asparagine	ESI+	132.1179	0.92	1.55^*
7	3.638	1.17	C₅H₄N₄O	Hypoxanthine	ESI+	136.1115	1.37	0.92^*
8	3.646	1.09	C₁₀H₁₂N₄O₅	Inosine	ESI+	268.2261	0.85	1.15^*
9	4.517	2.84	C₁₀H₁₂N₄O₆	Xanthosine	ESI+	284.2255	0.98	1.85^*
10	4.627	4.61	C9H11NO2	L-Phenylalanine	ESI+	165.1891	0.46	1.48^*
11	4.779	2.43	C₁₃H₁₇N₂O₃	Melatonin radical	ESI+	249.2857	0.39	0.75^*
12	4.959	1.73	C₁₁H₁₉N₃O₆	Ophthalmic acid	ESI+	289.2851	0.40	0.85^*
13	5.379	1.24	C₁₄H₂₈O₂	Nonyl isovalerate	ESI+	228.3709	0.91	0.80
14	5.717	1.42	C₁₁H₂₁N₅O₅	Glutamylarginine	ESI+	303.319	0.49	0.98^*
15	5.802	1.26	C₁₁H₂₀N₂O₅	Glutamylleucine	ESI+	260.29	0.91	0.64
16	6.368	1.57	C₆H₁₁NO₂	Pipecolic acid	ESI+	129.157	1.47	1.04^*
17	6.682	1.07	C₃₀H₄₇N₃O₁₀S	S-(PGJ2)-glutathione	ESI+	641.773	0.65	1.19^*
18	9.368	1.04	C₁₅H₂₉NO₄	L-Octanoylcarnitine	ESI+	287.3951	0.60	2.18^*
19	9.419	1.46	C₂₄H₅₀NO₆P	LysoPC(P-16:0)	ESI+	479.6307	1.80	3.18^*
20	10.117	1.06	C₆H₁₃N₃O₃	Argininic acid	ESI+	175.1857	0.79	1.78^*
21	13.354	2.48	C₂₆H₄₃NO₅	Deoxycholic acid glycine conjugate	ESI+	449.6233	0.85	0.82
22	13.969	2.42	C₁₃H₂₅NO₃	N-Undecanoylglycine	ESI+	243.3425	0.89	1.07
23	4.995	3.96	C₂₁H₃₅N₇O₁₃P₂S	Dephospho-CoA	ESI-	687.15	1.95	1.04^*
24	9.331	5.39	C₂₆H₄₅NO₆S	Taurochenodesoxycholic acid	ESI-	499.3	1.44	0.89^*
25	10.677	1.07	C₂₂H₄₄NO₇P	LysoPC(14:1)	ESI-	465.561	2.15	1.04^*
26	10.776	3.14	C₂₆H₄₃NO₅	Chenodeoxyglycocholic acid	ESI-	449.6233	1.97	2.33
27	11.221	2.03	C₄₇H₈₉O₈P	PA(22:2)	ESI-	813.195	1.29	1.11
28	12.143	2.50	C₂₄H₄₀O₅	Cholic acid	ESI-	408.5714	2.05	0.82^*
29	14.502	1.11	C₃₀H₃₇NO₈	5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate	ESI-	539.625	1.29	0.77^*
30	14.897	1.61	C₂₃H₄₄NO₇P	LysoPE(18:2)	ESI-	477.5717	1.33	0.92^*
31	14.973	1.15	C₂₅H₄₄NO₇P	LysoPE(20:4)	ESI-	501.5931	2.06	0.75^*
32	15.650	1.69	C₂₁H₄₄NO₇P	LysoPE(16:0)	ESI-	453.5503	1.65	1.01^*

RT, retention time; VIP, variable importance in the projection; SM, scan mode; +, metabolites identified in positive mode; –, metabolites identified in negative mode. Metabolites identified in both positive and negative modes;

p < 0.05 compared with the PQ group; C/PQ, control group compared with the PQ group; AEE/PQ, AEE group compared with the PQ group.