Table 1.

Potential biomarkers identified of acupuncture-treated human in positive and negative modes.

No.	Rt (min)	m/z determined	m/z calculated	Error (mDa)	Ion form	Formula	Metabolite name	VIP value	Trend	P value
1	0.50	162.1126	162.1130	−0.4	[M + H]+	C7H15NO3	Carnitine	5.1	↑	0.0087
2	2.32	290.1597	290.1604	−0.7	[M + H]+	C13H23NO6	3-Methylglutarylcarnitine	4.8	↑	0.0431
3	3.45	276.1815	276.1811	0.4	[M + H]+	C13H25NO5	Hydroxyhexanoycarnitine	3.4	↑	0.0327
4	4.77	265.1205	265.1188	1.7	[M + H]+	C13H16N2O4	alpha-N-Phenylacetyl-L-glutamine	9.0	↓	0.0010
5	4.86	316.1761	316.1760	0.1	[M + H]+	C15H25NO6	Derivative of carnitine	3.8	↑	0.0426
6	5.48	300.1818	300.1811	0.7	[M + H]+	C15H25NO5	Derivative of carnitine	4.6	↑	0.0000
7	5.55	318.1922	318.1917	0.5	[M + H]+	C15H27NO6	Derivative of carnitine	7.2	↑	0.0366
8	5.71	135.0433	135.0446	−1.1	[M + H]+	C8H6O2	6Z-Octene-2,4-diynoic acid	8.1	↓	0.0230
9	5.98	225.1089	225.1103	−1.4	[M + Na]+	C10H18O4	Sebacic acid	2.0	↓	0.0000
10	6.29	302.1969	302.1981	−1.2	[M + H]+	C15H27NO5	Derivative of carnitine	5.7	↑	0.0039
11	7.17	284.1844	284.1862	−1.8	[M + H]+	C15H25NO4	Supinine	6.9	↑	0.0039
12	7.65	161.0599	161.0603	−0.4	[M + H]+	C10H8O2	1-Formyl-2-indanone	3.0	↓	0.0263
13	7.68	354.2273	354.2280	−0.7	[M + H]+	C19H31NO5	Derivative of carnitine	3.5	↑	0.0015
14	7.71	233.1166	233.1154	1.2	[M + Na]+	C12H18O3	Jasmonic acid	2.9	↑	0.0083
15	8.00	137.0607	137.0603	0.4	[M + H]+	C8H8O2	3-Vinylcatechol	6.6	↑	0.0019
16	8.08	330.2264	330.2280	−4.8	[M + H]+	C17H31NO5	6-Keto-decanoylcarnitine	11.8	↓	0.0048
17	8.17	286.2018	286.2018	0.0	[M + H]+	C15H27NO4	2-Octenoylcarnitine	26.1	↑	0.0000
18	8.31	332.2440	332.2437	0.3	[M + H]+	C17H33NO5	Derivative of carnitine	3.9	↑	0.0000
19	8.32	330.2272	330.2280	−0.8	[M + H]+	C17H31NO5	6-Keto-decanoylcarnitine	5.7	↓	0.0077
20	10.11	356.2424	356.2437	−1.3	[M + H]+	C19H33NO5	Derivative of carnitine	2.3	↓	0.0024
21	10.50	288.2167	288.2175	−0.8	[M + H]+	C15H29NO4	L-Octanoylcarnitine	3.9	↑	0.0027
22	10.72	358.2587	358.2593	−0.6	[M + H]+	C19H35NO5	Derivative of carnitine	3.7	↓	0.0000
23	12.54	312.2162	312.2175	−1.3	[M + H]+	C17H29NO4	2-trans,4-cis-Decadienoylcarnitine	9.5	↓	0.0000
24	12.62	314.2345	314.2331	1.4	[M + H]+	C17H31NO4	9-Decenoylcarnitine	3.1	↓	0.0242
25	12.79	312.2169	312.2175	−0.6	[M + H]+	C17H29NO4	2-trans,4-cis-Decadienoylcarnitine	10.7	↓	0.0010
26	13.98	338.2312	338.2307	0.5	[M + Na]+	C17H33NO4	L-Decanoylcarnitine	7.7	↓	0.0001
27	14.25	338.2310	338.2307	0.3	[M + Na]+	C17H33NO4	L-Hexanoylcarnitine	7.6	↑	0.0000
28	14.49	338.2321	338.2307	1.4	[M + Na]+	C17H33NO4	L-Decanoylcarnitine	7.5	↓	0.0023
29	15.93	489.2449	489.2464	−1.5	[M + Na]+	C25H38O8	Androsterone glucuronide	2.5	↓	0.0171
30	17.02	279.2342	279.2324	1.8	[M + H]+	C18H30O2	alpha-Linolenic acid	2.5	↓	0.0019
31	0.65	191.0183	191.0192	−0.9	[M − H]−	C6H8O7	Citric acid	14.9	↑	0.0005
32	0.76	129.0177	129.0188	−1.1	[M − H]−	C5H6O4	Mesaconic acid	8.3	↑	0.0000
33	0.86	199.0080	199.0099	−1.9	[M − H]−	C5H12O4S2	2-Hydroxypropyl-CoM	3.5	↓	0.0000
34	0.99	232.0275	232.0280	−0.5	[M − H]−	C8H11NO5S	Dopamine 3-O-sulfate	2.3	↓	0.0005
35	1.03	161.0444	161.0450	−0.6	[M − H]−	C6H10O5	3-Hydroxy-3-methyl-glutaric acid	3.1	↑	0.0000
36	1.11	182.0461	182.0453	0.8	[M − H]−	C8H9NO4	4-Pyridoxic acid	2.2	↑	0.0000
37	1.43	253.0827	253.0824	0.3	[M − H]−	C11H14N2O5	Nicotinamide riboside	3.2	↓	0.0029
38	2.42	225.0860	225.0875	−1.5	[M − H]−	C10H14N2O4	Porphobilinogen	3.1	↓	0.0000
39	3.49	212.0002	212.0018	−1.6	[M − H]−	C8H7NO4S	Indoxyl sulfuric acid	6.0	↓	0.0000
40	4.68	263.0994	263.1032	−3.8	[M − H]−	C13H16N2O4	alpha-N-Phenylacetyl-L-glutamine	3.7	↓	0.0007
41	5.70	187.0048	187.0065	−1.7	[M − H]−	C7H8O4S	4-Sulfobenzyl alcohol	4.7	↓	0.0144
42	5.79	193.0353	193.0348	0.5	[M − H]−	C6H10O7	Unknown	3.2	↑	0.0001
43	6.21	377.1456	377.1461	−0.5	[M − H]−	C17H22N4O6	Reduced riboflavin	6.5	↓	0.0001
44	6.39	201.1112	201.1127	−1.5	[M − H]−	C10H18O4	Sebacic acid	4.5	↓	0.0000
45	6.55	173.0799	173.0814	−1.5	[M − H]−	C8H14O4	Suberic acid	2.8	↓	0.0002
46	7.53	229.1425	229.1440	−1.5	[M − H]−	C12H22O4	Dodecanedioic acid	3.9	↓	0.0000
47	7.68	153.0905	153.0916	−1.1	[M − H]−	C9H14O2	5,7-Nonadienoic acid	3.0	↑	0.0000
48	7.77	225.1595	225.1603	−0.8	[M − H]−	C12H22N2O2	1,8-Diazacyclotetradecane-2,9-dione	2.1	↓	0.0000
49	7.78	145.0593	145.0613	−2.0	[M − H]−	C5H10N2O3	L-Glutamine	7.2	↓	0.0015
50	7.96	185.1181	185.1178	0.3	[M − H]−	C10H18O3	10-oxo-decanoic acid	3.2	↓	0.0000
51	8.06	141.0901	141.0916	−1.5	[M − H]−	C8H14O2	Unknown	4.8	↑	0.0000
52	8.20	199.0956	199.0970	−1.4	[M − H]−	C10H16O4	Decenedioic acid	4.9	↑	0.0016
53	9.09	179.1069	179.1072	−0.3	[M − H]−	C11H16O2	3-tert-Butyl-5-methylcatechol	3.5	↑	0.0009