Table 2 Discrepant metabolites identified by UHPLC-Q-TOF/MS analysis between early-stage NSCLC patients and HC.

Peak	Metabolite	Polarity	m/z	VIP	Fold-change	Peak	Metabolite	Polarity	m/z	VIP	Fold-change
1	5,10-Methylenetrahydrofolate	POS	440.1747	1.11	3.80	21	1-Methylxanthine	NEG	203.0023	1.01	0.63
2	Biliverdin	POS	583.2549	1.11	0.29	22	2-Hydroxy-3-methylbutyric acid	NEG	117.0554	1.09	1.39
3	β-Octylglucoside	POS	310.2229	1.73	0.39	23	2-Oxoadipic acid	NEG	141.0165	1.79	1.18
4	Glycochenodeoxycholate	POS	450.3173	1.07	1.28	24	3-Hydroxycapric acid	NEG	169.1228	1.54	0.50
5	Isovaleric acid	POS	103.0755	1.60	0.35	25	all cis-(6,9,12)-Linolenic acid	NEG	277.2175	1.25	0.80
6	L-palmitoylcarnitine	POS	444.3168	1.62	0.50	26	Arachidonic Acid	NEG	303.2327	1.26	0.84
7	PC(10:0/22:2)	POS	730.5311	1.49	0.36	27	DL-lactate	NEG	89.0240	2.41	2.03
8	PC(15:1/22:6)	POS	790.5513	1.54	1.57	28	Hippuric acid	NEG	178.0510	1.22	0.41
9	PC(16:1/0:0)	POS	494.3326	1.08	1.62	29	Inosine	NEG	267.0736	1.72	4.17
10	PC(17:2/24:4)	POS	848.5930	1.35	1.39	30	PA(18:2/18:0)	NEG	699.4770	1.81	1.21
11	PC(18:0/22:6)	POS	834.5778	1.57	1.64	31	Palmitic acid	NEG	255.2322	1.04	0.86
12	PC(18:3/0:0)	POS	518.3369	1.57	2.11	32	PE(16:0/0:0)	NEG	452.2774	1.35	1.48
13	PC(18:4/22:6)	POS	826.5287	1.03	1.69	33	PE(18:0/0:0)	NEG	480.3087	1.04	1.34
14	PC(19:0/0:0)	POS	538.3695	1.34	1.45	34	PE(18:1/0:0)	NEG	478.2930	1.11	1.67
15	PC(20:0/0:0)	POS	552.3926	1.48	0.51	35	PE(18:2/0:0)	NEG	476.2775	1.26	1.57
16	PC(O-16:0/0:0)	POS	504.3452	1.29	1.83	36	Theophylline	NEG	179.0544	1.19	0.42
17	PC(O-16:1/0:0)	POS	502.3333	1.34	1.49	37	Xanthine	NEG	188.9864	1.29	0.52
18	PC(O-18:3/0:0)	POS	504.3374	1.62	0.37
19	PE(22:2/12:0)	POS	716.5143	1.15	1.29
20	L-prolyl-L-phenylalanine	POS	263.1366	1.67	1.50

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