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. Author manuscript; available in PMC: 2020 May 16.
Published in final edited form as: Chem Res Toxicol. 2014 Apr 1;27(5):775–786. doi: 10.1021/tx400451q

Table 1.

Potential Endogenous Biomarkersa

tR (min) m/z mass accuracy(ppm) metabolite fold change compared with controls
3.61 512.2651b 5.77 sulfolithocholylglycine 13.1
3.79 498.2854b 6.93 tauroursodeoxycholic 11.0
3.82 514.2803b 6.66 taurocholic acidd 11.3
4.08 455.2476b 2.17 sulfolithocholic acid 20.5
4.26 464.298b 6.64 glycocholic acidd 4.3
4.66 407.277b 6.44 β-muricholic acid 1.6
5.41 542.3245c 0.50 LPC C20:5 3.6
8.86 544.3402c 0.40 LPC C20:4 isomer 1.5
9.33 544.3404c 0.04 LPC C20:4 1.5
9.41 568.3410c 1.02 LPC C22:6 66.3
10.87 522.3545c 3.01 LPC C18:1 isomer 2.1
11.07 522.3553c 1.48 LPC C18:1 isomer 2.2
11.81 522.3559c 0.33 LPC C18:1 3.4
12.73 319.2277b 1.56 hydroxyeicosatetraenoic acid 2.5
16.13 301.2153b 4.43 eicosapentaenoic acid 1.9
16.22 277.2145b 7.69 linolenic acid 1.8
a

Many biomarkers can be detected in both ESI+ and ESI− modes.

↑ means up-regulated in the treated group compared with the control group, while ↓ means down-regulated in the treated group compared with the control group.

b

Data of compounds are from those detected in ESI- mode while.

c

Data were from those in ESI+ mode.

d

Markers confirmed by standard compounds.