Table 3. List of metabolites (32 entities) that are distinguished between three controls, healthy non-smokers (NS), smokers (S), chronic obstructive pulmonary disease (COPD) and lung cancer (LC) at p < 0.001 and fold change >3 and CV < 25%.

(a) Compounds or (b) Base peak (m/z)	R.T (mins)	p-value	Log FC (S VS NS)	Log FC (COPD VS NS)	Log FC (LC VS NS)	CV (NS)	CV (S)	CV (COPD)	CV (LC)
Lactic acida	6.547	0.001	−0.75066	−0.75066	15.01397	6.059	0	0	0.940
Phosphoric acida	9.298	4.46 × 10−34	−1.43 × 10−06	−2.15 × 10−06	11.38233	0	0	0	1.392
Benzoic acida	8.925	0.001	−0.38841	−0.38841	14.88933	7.348	0	0	1.040
Naphthalenea	14.913	4.98 × 10−23	−7.88417	−7.61842	5.263484	1.524	0	8.659	1.042
d-Glucosea	17.000	0.001	−0.80834	−0.80834	16.77236	6.226	0	0	0.914
Altrosea	17.180	0.001	−0.77384	−0.77384	15.65283	5.159	0	0	0.988
Palmitic acida	18.082	0.001	−0.86307	−0.56074	18.47669	5.338	0	8.660	0.881
Octadecanoicacida	19.248	0.001	24.80116	22.96099	13.00723	0	0.423	0.598	1.504
Stearic acida	19.876	0.001	−0.8934	−0.61384	18.4489	5.203	0	8.659	0.878
1-Propenea	22.708	5.55 × 10−21	−4.91746	−16.7018	−2.27579	0.706	1.739	0	0.960
Cholesterola	27.099	0	−0.80642	−0.2636	17.42233	5.173	0	6.446	1.119
79.0b	6.466	7.83 × 10−16	−0.6038909	0.6598923	−17.717346	1.053	1.286	1.190	0
221.0b	6.627	1.03 × 10−28	−0.36994314	−0.36994243	10.512385	7.348	0	0	1.135
138.0b	7.211	6.1 × 10−25	0.31311202	0.79443276	10.497155	0	8.123	6.579	1.464
192.0 b	9.245	0.001	−1.5639739	−1.0004983	18.191345	3.979	0	706.215	0.659
57.0b	9.430	6.32 × 10−16	−0.49987864	−2.316762	7.907245	2.990	3.839	0	1.723
179.0b	10.948	1.72 × 10−33	−0.7623167	−0.76231694	10.744249	5.363	0	0	1.216
77.0b	15.036	2.93 × 10−21	13.092134	0.574327	9.222518	0	1.111	7.658	1.769
77.0b	15.138	6.60 × 10−39	−1.306344	15.365888	−1.3063436	4.165	0	0.838	0
312.0b	15.956	0.001	−0.42208862	−0.13931417	19.562046	7.348	0	8.659	0.899
129b	20.794	0.001	−3.3007922	−3.3007927	15.475743	2.493	0	0	0.619
91.0b	21.747	8.32 × 10−43	−8.707808	−11.9619255	11.135013	1.164	2.823	0	0.527
91.0b	21.799	0.001	21.44686	24.984108	1.0096989	0	0.471	0.444	5.049
61.0b	23.255	8.98 × 10−36	13.969654	0.55730176	0	0	0.975	6.101	0
104.0b	23.364	2.28 × 10−35	−2.6220374	−2.6220374	10.5647	2.660	0	0	0.898
91.0b	23.396	0.001	−6.757048	−6.7570477	15.541145	1.693	0	0	0.529
91.0b	23.452	0.001	20.630585	19.240364	9.54 × 10−07	0	0.531	0.653	0
91.0b	23.560	0.001	−4.3524594	−4.352461	16.166733	2.181	0	0	0.554
179.0b	24.409	0.001	−0.7441251	−0.74412465	13.964065	5.201	0	0	0.842
179.0b	25.822	0.001	−1.5109181	−1.5109181	16.547422	3.942	0	0	0.805
91.0b	26.856	0.001	−1.19 × 10−06	−1.67 × 10−06	15.379847	0	0	0	0.891

^aIdentified metabolites.

^bUnidentified metabolites.