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. 2020 Apr 28;5(18):10489–10500. doi: 10.1021/acsomega.0c00647

Table 1. Identification of Potential Biomarkersc,d.

no. retention time (min) mass-to-charge ratio type identified compound comparison between groups (fold change)
1 0.79 182.0467 [M – H] 4-pyridoxic acida Con/EW (2.8)
2 0.84 204.0638 [M + Na]+ l-tyrosinea,b Con/FW (<1)
3 1.28 204.0310 [M – H] xanthurenic acida Con/EW (3.5)
4 1.58 188.0362 [M – H] kynurenic acida,b Con/EW (3.1)
5 1.70 163.0405 [M – H] phenylpyruvic acida Con/FW (<1)
6 1.85 188.0688 [M + Na]+ l-phenylalaninea,b Con/FW (<1)
7 2.97 187.0075 [M – H] p-cresol sulfatea Con/FW (2.8), Con/EW (4.0)
8 3.37 165.0564 [M – H] phenyllactic acida Con/EW (6.2)
9 8.33 391.2852 [M + H]+ 12-ketodeoxycholic acida Con/EW (<1)
10 8.44 655.2765 [M + H]+ coproporphyrin IIIa Con/EW (<1)
11 11.65 391.2875 [M – H] chenodeoxycholic acida,b Con/EW (<1)
12 11.92 391.2868 [M – H] deoxycholic acida,b Con/EW (<1)
a

Metabolites confirmed by literature or database searches and mass spectrometry (MS) fragmentation.

b

Metabolites confirmed using standard compounds.

c

Con-FW: significant differences in metabolites with p < 0.05 between the control and PM group I (4 weeks).

d

Con-EW: significant differences in metabolites with p < 0.05 between the control and PM group II (8 weeks).