TABLE 5.

Identification of the most discriminant metabolomic variables between AD and CD in post-dialysis and rebound measurements.

Accurate mass (m/z)	Retention time (min)	Adduct ion	Formula	Identification of variables		Compound class	Fold change (Citrate vs. Acetate)
				Metabolite annotation	Confidence level
114.0919	3.3666	M + H	C6H11NO	2,5-Dihydro-2,4,5-trimethyloxazole	1	Oxazolines	Post-dialysis: 9.27
				2-Acetylpyrrolidine		Pyrrolidines
				Epsilon-caprolactam		Caprolactams
				1-Piperidinecarboxaldehyde		Piperidines
		M + H-H20	C6H13NO2	Aminocaproic acid 6-Deoxyfagomine N-(2-Hydroxyethyl)-morpholine N-(2-hydroxy-2-methylpropyl)acetamide 2-hydroxy-3-(propylamino)propanal N-(3-hydroxy-2-methylpropyl)acetamide, N-(2-Methylpropyl)glycolamide N,N-diethyl-2-oxoethanamine oxide, 2-[Ethyl(2-hydroxyethyl)amino]acetaldehyde2-[ethyl(1-hydroxyethyl)amino]acetaldehyde, 2-(diethylamino)-2-hydroxyacetaldehyde L-Isoleucine, L-Leucine, β-Leucine, D-Leucine, L-Norleucine, L-Alloisoleucine, 3-Aminocaproic acid, N-methylvaline, 4-(dimethylamino)Butanoic acid, N,N-Diethylglycine	3	Fatty acids and conjugates
						Piperidines
						Morpholines
						Alcohols and polyols
						Pyrazoles
						Carboxylic acid derivatives Amines Amino acids, peptides, and analogues
		M + H-H20	C6H14NO2	1-Nitrohexane	3	Organic nitro compounds
Confidence level: 1: identified metabolites, 2: putatively annotated, 3: putatively characterized; 4: unknown