. 2014 Apr 4;13(5):2560–2570. doi: 10.1021/pr500039t

Table 1. Explorative LC–MS Metabolomic Analysis of 48 h Urine Collected from Mice Fed HF Casein, HF Whey, or LF Reference Diets^a.

			ion count
metabolite	m/z	RT	HF casein	HF whey	LF reference	change (%)^b	pathway^c
pyruvic acid	87.007	3.5	62 ± 32^B	304 ± 29^A	141 ± 16^B	385	1–8, 10, 11, 15–24
citric acid	191.020	3.6	9069 ± 3531^B	37231 ± 3936^A	17000 ± 815^B	311	1, 2
cis-aconitic acid^d	173.009	5.9	2077 ± 293^B	7625 ± 1525^A	4893 ± 409^A	267	1, 2
isocitric acid^e	191.020	2.8	2480 ± 373^B	4085 ± 364^A	3139 ± 61^AB	65	1, 2
succinic acid^d	117.019	4.1	58 ± 13^B	921 ± 182^A	123 ± 11^B	1488	1, 2, 9, 11, 15, 16
citramalic acid^e	147.030	3.2	209 ± 23^B	1323 ± 309^A	339 ± 34^B	533
N-acetylglutamine^d	187.071	3.1	468 ± 32^B	1052 ± 113^A	967 ± 49^A	124	26
N-acetyl-l-glutamic acid	188.057	3.8	387 ± 59^B	740 ± 94^A	549 ± 26^AB	91	26, 27
hippuric acid	178.051	10.8	3806 ± 218^B	2130 ± 128^C	7055 ± 201^A	–44	10
4-OH-benzoic acid	137.025	10.4	317 ± 20^A	232 ± 12^B	316 ± 8^A	–27	10
p-OH-phenylacetic acid	151.039	11.9	612 ± 35^B	439 ± 28^C	819 ± 27^A	–28	10, 11
4-OH-phenyllactic acid	181.051	9.4	10001 ± 918^A	5663 ± 947^B	7901 ± 429^AB	–43	11
kynurenic acid	188.036	11.0	900 ± 36^C	1475 ± 77^A	1216 ± 36^B	64	13
xanthurenic acid	204.030	10.3	6685 ± 434^B	12368 ± 1520^A	6719 ± 212^B	85	13
glutaconic acid	129.018	6.4	1452 ± 157^C	5101 ± 183^A	2858 ± 378^B	251	13, 25
orotic acid^d	155.008	3.5	163 ± 14^C	522 ± 68^A	293 ± 18^B	220	12
ureidopropionic acid	131.045	3.0	176 ± 23^B	359 ± 61^A	311 ± 22^AB	103	5, 12, 13
3-furoic acid	111.009	6.7	296 ± 46^B	1053 ± 157^A	689 ± 48^A	256
4-sulfobenzyl alcohol	187.007	20.6	94596 ± 7417^A	50780 ± 7844^B	76237 ± 1683^A	–46
p-cresol glucuronide	283.083	12.2	14458 ± 1154^A	8382 ± 1686^B	15082 ± 491^A	–42
trans-aconitic acid	173.009	5.1	212 ± 44^B	504 ± 50^A	479 ± 26^A	137

LC–MS data were obtained in negative mode, and mass to charge ratio (m/z) and retention times (RT) for the given metabolites are given. Ion counts are reported as mean ± SEM (n = 6–8, except for glutaconic acid, n = 3–7). Numbers with different capital letters across columns are significantly different, p < 0.05.

The change represents percent change in the HF Whey group relative to the HF casein group, with negative values for decrease and positive values for increase.

Numbers refer to metabolic pathways that the metabolites participate in 1, TCA cycle; 2, glyoxylate and dicarboxylate; 3, pyruvate; 4, glycolysis and gluconeogenesis; 5, pantothenate and CoA biosynthesis; 6, Val, Leu, Ile; 7, Cys, Met; 8, Gly, Ser, Thr; 9, propanoate; 10, Phe; 11, Tyr; 12, pyrimidines; 13, Trp; 14, purines; 15, butanoate; 16, Ala, Asp, and Glu; 17, taurine and hypotaurine; 18, vitamin B6; 19, ascorbate and aldarate; 20, pentose phosphate pathway; 21, pentose and glucuronate interconversions; 22, nicotinate and nicotinamide; 23, terpenoid backbone biosynthesis; 24, β-Ala; 25, Lys, OH-Lys; 26, Gln and Glu; 27, urea cycle; 28, Acyl-CoA and Gly. (−) Metabolites without known pathway annotation.

Fisher LSD test performed on log-transformed data.

Statistics by Kruskal–Wallis test.

Numbers with different capital letters (A-C) across columns are significantly different, P < 0.05.

Table 1. Explorative LC–MS Metabolomic Analysis of 48 h Urine Collected from Mice Fed HF Casein, HF Whey, or LF Reference Dietsa.

Table 1. Explorative LC–MS Metabolomic Analysis of 48 h Urine Collected from Mice Fed HF Casein, HF Whey, or LF Reference Diets^a.