Serum metabolic profiling of targeted bile acids reveals potentially novel biomarkers for primary biliary cholangitis and autoimmune hepatitis

Table 3 Potential serum biomarkers for primary biliary cirrhosis compared to healthy control in positive and negative ions model

Name	VIP	MZ	Time	PBC/control
				t-test	Fold change (P/C)
ESI+
Taurodeoxycholic acid	1.747	500.3033	10.598	0.001	8.146
Glycodeoxycholate	2.175	450.3207	12.146	0.000	4.558
Tetracosahexaenoic acid	1.100	357.2786	9.333	0.045	3.490
Bilirubin	1.511	585.2701	10.218	0.006	3.334
Sphinganine	1.953	302.3052	12.792	0.000	3.285
Phytosphingosine	2.482	318.2999	10.734	0.000	3.039
L-Phenylalanine	1.690	166.0860	2.037	0.002	0.372
L-Proline	1.194	116.0706	0.725	0.030	0.180
12-Ketodeoxycholic acid	1.573	391.2842	15.210	0.004	-0.324
ESI-
Taurocholic acid	1.493	514.2805	9.146	0.000	6.634
LysoPC [18:3(6Z, 9Z, 12Z)]	1.184	516.3064	13.057	0.001	5.263
Tauroursodeoxycholic acid	1.843	498.2861	10.456	0.000	4.627
Glycocholic Acid	1.866	464.2988	9.957	0.000	3.644
LysoPE [0:0/18:4 (6Z, 9Z, 12Z, 15Z)]	1.316	472.2430	9.798	0.000	3.274
LysoPE [20:3 (11Z, 14Z, 17Z)/0:0]	1.882	500.2947	10.456	0.000	3.225
L-Urobilinogen	1.027	595.3478	11.784	0.003	3.202
L-Urobilin	1.032	593.3315	11.665	0.003	2.411
Deoxycholic acid	1.032	391.2833	11.641	0.003	2.121
α-ketoisovaleric acid	1.040	115.0399	1.831	0.003	-0.348
Pyroglutamic acid	1.252	128.0350	0.931	0.000	-0.392
Lactic acid	1.548	89.0242	0.938	0.000	-0.402
Hypoxanthine	1.384	135.0308	0.886	0.000	-0.431
LysoPE [0:0/20:2 (11Z, 14Z)]	1.335	504.3072	14.333	0.000	-0.453
Ketoleucine	1.392	129.0555	4.110	0.000	-0.486
LysoPE [0:0/22:4 (7Z, 10Z, 13Z, 16Z)]	1.333	528.2850	13.617	0.000	-0.544
MG [0:0/18:4 (6Z, 9Z, 12Z, 15Z)/0:0]	2.060	349.2373	8.969	0.000	-2.181

PBC: Primary biliary cirrhosis; VIP: Variable importance in the projection.