Table 2.

Select metabolites with high correlations to alanine aminotransferase (ALT) or acetaminophen (APAP)-protein adducts. Metabolites with significant correlations (p < 0.05) to ALT or APAP-protein adducts are in bold.

Metabolite	Platform	ALT	APAP-Protein Adducts
2-Oxoarginine a	LCMS POS, 0.72 min, m/z 174.09	0.6192, p = 2.40 × 10−2	0.4318
Ascorbic acid a	LCMS POS, 0.72 min, m/z 177.04	0.4361	0.8446, p = 2.81 × 10−4
Ascorbic acid a	LCMS NEG, 0.72 min, m/z 175.02	0.3889	0.8159, p = 6.72 × 10−4
Alanine	NMR, 1.47, 3.78 ppm	0.2600	0.6792, p = 1.073 × 10−2
Choline	NMR, 3.19, 3.51, 4.06 ppm	0.1789	0.5993, p = 3.04 × 10−2
Citrulline a	LCMS POS, 0.67 min, m/z 176.10	−0.3810	−0.6676, p = 1.27 × 10−2
Cresol a	LCMS NEG, 3.77 min, m/z 107.05	−0.5642, p = 4.46 × 10−2	−0.4348
Fructose	NMR, 3.55–4.11 ppm	0.3900	0.8170, p = 6.51 × 10−4
Glucose	NMR, 3.23–3.89, 4.64 ppm	0.2778	0.6367, p = 1.93 × 10−2
Hippurate a	LCMS NEG, 3.32 min, m/z 178.05	0.4858	0.8561, p = 1.88 × 10−4
Hippurate	NMR, 3.96, 7.54, 7.63, 7.82 ppm	0.4116	0.8350, p = 3.82 × 10−4
Hydroxybutyrylcarnitine a	LCMS POS, 1.05 min, m/z 248.15	−0.5674, p = 4.46 × 10−2	−0.4900
Indoxyl a	LCMS POS, 3.30 min, m/z 134.06	0.7062, p = 6.98 × 10−3	0.8230, p = 5.49 × 10 −4
Lactate	NMR, 1.32, 4.11 ppm	-	0.7906, p = 1.29 × 10−3
Proline a	LCMS POS, 0.83 min, m/z 116.07	−0.5733, p = 4.05 × 10−2	−0.5376
Propylene glycol	NMR, 1.13, 3.44, 3.54, 3.88 ppm	0.4025	0.8263, p = 4.99 × 10−4
Pyruvate	NMR, 2.36 ppm	0.3680	0.7134, p = 6.18 × 10−3
Taurocholic acid isomer b	LCMS NEG, 4.83 min, m/z 514.28	0.4259	0.6891, p = 9.18 × 10−3
Trimethylamine N-oxide	NMR, 3.25 ppm	0.5807, p = 3.74 × 10−2	0.3733
Uracil a	LCMS POS, 0.78 min, m/z 113.03	-	0.6349, p = 1.97 × 10−2
Uric acid a	LCMS NEG, 0.83 min, m/z 167.02	-	0.5636, p = 4.49 × 10−2

^a Compounds identified based upon an authentic standard from an in-house database; ^b Compounds identified from the Human Metabolome Database.