UPLC-QTOF MS-Based Serum Metabolomic Profiling Analysis Reveals the Molecular Perturbations Underlying Uremic Pruritus

Table 2

Summary of the potential biomarkers related to UP.

Number		TR (min)	Adduct	Metabolites	Formula	VIP	value
(1)	424.34	10.14	M + NH4	3-Oxocholic acid	C24H38O5	5.27	0.03
(2)	137.05	1.02	M + H	Phenylacetic acid	C8H8O2	5.19	0.04
(3)	426.36	10.66	M + NH4	Cholic acid	C24H40O5	4.51	0.04
(4)	290.16	3.12	M + Na	L-Agaritine	C12H17N3O4	4.14	0.03
(5)	568.34	10.31	M + Na	LysoPC(20:3(8Z,11Z,14Z))	C28H52NO7P	2.94	0.04
(6)	269.09	1.42	M + H	L-Homocysteine	C8H16N2O4S2	2.82	0.03
(6)	267.07	1.42	M − H	L-Homocysteine	C8H16N2O4S2	1.75	0.02
(7)	205.16	0.64	M + NH4	N1-Acetylspermidine	C9H21N3O	2.67	0.01
(8)	110.01	0.58	M + H	Hypotaurine	C2H7NO2S	2.53	0.01
(9)	130.05	1.06	M + H	Pyroglutamic acid	C5H7NO3	2.30	0.05
(10)	526.29	10.27	M + Na	LysoPE(20:3(5Z,8Z,11Z)/0:0)	C25H46NO7P	2.24	0.02
(11)	450.36	10.44	M + Na	Stearoylcarnitine	C25H49NO4	1.56	0.03
(12)	482.33	10.11	M + H	LysoPC(15:0)	C23H48NO7P	1.38	0.04
(13)	127.04	4.14	M + Na	3-Hydroxybutyric acid	C4H8O3	1.36	0.02
(14)	217.10	4.70	M + Na	4-Aminohippuric acid	C9H10N2O3	1.26	0.03
(15)	570.36	10.89	M + Na	LysoPC(20:2(11Z,14Z))	C28H54NO7P	1.20	0.03
(16)	190.08	1.06	M + H	Kynurenic acid	C10H7NO3	1.01	0.00
(17)	540.33	10.57	M + FA − H	LysoPC(16:0)	C24H50NO7P	8.32	0.01
(18)	331.18	7.56	M + FA − H	Androstenedione	C19H26O2	4.11	0.02
(19)	507.21	6.53	M + FA − H	6-Dehydrotestosterone glucuronide	C25H34O8	3.36	0.03
(20)	283.12	6.58	M − H	p-Cresol glucuronide	C13H16O7	2.12	0.03
(21)	524.28	10.27	M + FA – H	LysoPE(18:1(9Z)/0:0)	C23H46NO7P	1.69	0.04
(22)	586.31	9.79	M + FA − H	LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))	C28H48NO7P	1.61	0.02