TABLE 2.

Putative identification of serum metabolites according to onset of liver cirrhosis (LC) in the subjects with normal liver function.

m/z [M+H]† [M−H]‡	Molecular formula	Putatively identified metabolites	VIP	t-test		Cohen’s d	Change trend
				P	q
75.009	C2H4O3	Glycolic acid‡	7.885	3.109E-13	1.112E-11	–0.821	↓
132.101	C6H13NO2	L-Leucine†	3.513	0.876	0.267	0.018	↑
159.065	C7H10O4	Succinylacetone†	2.072	1.352E-11	3.242E-10	2.097	↑
166.086	C9H11NO2	L-Phenylalanine†	3.803	0.033	0.023	0.257	↑
182.081	C9H11NO3	L-Tyrosine†	2.486	0.004	0.004	0.340	↑
188.070	C11H9NO2	Indoleacrylic acid†	1.861	6.461E-07	2.931E-06	0.601	↑
205.096	C11H12N2O2	L-Tryptophan†	4.394	1.210E-06	5.017E-06	0.615	↑
227.202	C14H28O2	Myristic acid‡	2.385	0.026	0.019	–0.259	↓
247.153	C12H22O5	3-Hydroxydodecanedioic acid†	1.961	0.123	0.067	–0.172	↓
253.216	C16H30O2	Palmitoleic acid‡	2.869	0.096	0.056	–0.202	↓
255.233	C16H32O2	Palmitic acid‡	9.512	0.070	0.043	0.236	↑
275.185	C14H26O5	3-Hydroxytetradecanedioic acid†	2.186	0.037	0.025	–0.222	↓
279.231	C18H30O2	α-Linolenic acid†	3.423	5.897E-06	1.877E-05	–0.493	↓
279.233	C18H32O2	Linoleic acid‡	8.057	1.383E-05	3.805E-05	–0.511	↓
281.249	C18H34O2	Oleic acid‡	7.365	0.037	0.025	–0.240	↓
283.264	C18H36O2	Stearic acid‡	3.644	0.803	0.250	0.030	↑
295.226	C18H30O3	9-HOTE†	2.010	0.001	0.001	–0.355	↓
295.227	C18H32O3	13S-Hydroxyoctadecadienoic acid‡	2.400	1.167E-05	3.326E-05	–0.477	↓
301.215	C20H28O2	9-cis-Retinoic acid†	3.109	1.842E-06	7.158E-06	–0.521	↓
303.231	C20H30O2	Eicosapentaenoic acid†	3.694	2.079E-05	5.311E-05	–0.466	↓
303.232	C20H32O2	Arachidonic acid‡	4.486	0.497	0.172	–0.078	↓
305.247	C20H34O2	11,14,17-Eicosatrienoic acid‡	1.945	0.980	0.290	0.003	↑
317.211	C20H30O3	5-HEPE‡	1.809	6.711E-07	3.021E-06	–0.542	↓
319.227	C20H32O3	5-HETE‡	3.039	7.857E-08	4.986E-07	–0.589	↓
327.232	C22H32O2	Docosahexaenoic acid‡	4.894	0.143	0.075	–0.173	↓
329.248	C22H34O2	Docosapentaenoic acid‡	1.906	0.186	0.090	–0.158	↓
335.222	C20H32O4	Leukotriene B4‡	1.745	1.943E-04	3.412E-04	–0.404	↓
343.227	C22H32O3	17-HdoHE‡	3.320	7.074E-08	4.587E-07	–0.594	↓
367.157	C19H28O5S	Dehydroepiandrosterone sulfate‡	1.847	6.909E-04	9.100E-04	–0.394	↓
400.341	C23H45NO4	L-Palmitoylcarnitine†	1.618	6.438E-04	8.624E-04	0.518	↑
409.236	C19H39O7P	LPA (16:0)‡	6.033	0.006	0.005	–0.325	↓
426.356	C25H47NO4	Oleoylcarnitine†	2.161	4.898E-04	7.053E-04	0.498	↑
433.236	C21H39O7P	LPA (18:2)‡	2.276	0.997	0.293	−4.360E-4	↓
435.251	C21H41O7P	LPA (18:1)‡	3.459	6.726E-06	2.097E-05	–0.550	↓
436.283	C21H44NO6P	PE (P-16:0e)‡	1.814	1.873E-05	4.878E-05	–0.467	↓
468.307	C22H46NO7P	LysoPC (14:0)†	1.765	0.127	0.069	0.195	↑
480.343	C24H50NO6P	LysoPC (P-16:0)†	2.471	0.404	0.146	0.116	↑
494.322	C24H48NO7P	LysoPC (16:1)†	2.040	0.760	0.240	0.037	↑
496.338	C24H50NO7P	LysoPC (16:0)†	6.143	0.007	0.006	0.351	↑
510.353	C25H52NO7P	LysoPC (17:0)†	1.781	0.429	0.153	0.106	↑
518.322	C26H48NO7P	LysoPC (18:3)†	1.620	0.361	0.134	–0.102	↓
520.338	C26H50NO7P	LysoPC (18:2)†	3.481	0.023	0.017	0.298	↑
522.353	C26H52NO7P	LysoPC (18:1)†	2.949	0.281	0.116	0.137	↑
524.369	C26H54NO7P	LysoPC (18:0)†	3.716	0.838	0.259	0.027	↑
544.338	C28H50NO7P	LysoPC (20:4)†	1.512	0.170	0.085	0.175	↑
568.337	C30H50NO7P	LysoPC (22:6)†	1.831	0.039	0.026	0.303	↑

^†Metabolites obtained by ESI-positive ion mode (M/Z [M+H]). ^†Metabolites obtained by ESI-negative ion mode (M/Z [M-H]). VIP is variable important in the projection. P-values derived from an independent t-test between groups; control group (n = 180) and LC group (n = 94). q-Value is adjusted p-value that controls the false discovery rate (FDR). Cohen’s d is an effect size for the comparison between two means; difference between two means divided by a pooled standard deviation; it is defined as “small, d = 0.20,” “medium, d = 0.50,” and “large, d = 0.80,” Change trend is determined by a comparison of the metabolites’ peak intensities in the LC group with those in the control group.