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. 2021 Oct 28;11:21286. doi: 10.1038/s41598-021-00530-0

Table 4.

Altered metabolites between participants with cholangiocarcinoma from United Kingdom (n = 10) and Thailand (n = 14).

m/z RT Tentative assignment Adduct VIP p value FC Identification
162.113 0.50 L-carnitine (C1) M + H 4.5 NS 2.14 a
114.065 0.52 Creatinine M + H 6.5 NS  − 1.18 b
144.102 0.58 Proline betaine M + H 4.6 NS 1.22 b
229.119 0.59 Hydroxyprolyl-Proline M + H 5.6 NS 1.17 b
160.133 0.70 Unknown 5.0 NS 3.41 d
204.125 0.83 L-Acetylcarnitine (C2) M + H 10.8 NS 1.13 a
166.073 1.17 7-Methylguanine M + H 4.5 NS  − 1.35 b
150.078 1.21 N-methyladenine M + H 4.7 0.014  − 1.88
153.066 2.20 N-methyl-2-pyridone-5-carboxamide M + H 5.2 NS  − 1.31 b
265.117 3.93 Unknown 4.9 0.002 2.81 d
279.132 4.44 Dipeptide C14H18N2O4 M + H 4.8 0.004 7.76 c
287.207 4.93 Acylcarnitine (C8:1) M + H 6.0  < 0.001 4.1 b
310.202 5.35 Acylcarnitine (C10:3) M + H 8.0 0.01 3.73 b
314.233 5.78 Decenoylcarnitine (C10:1) M + H 4.7 NS 1.01 b
135.030 0.50 Threonate/Erythronate M-H 3.3 NS  − 1.34 b
191.018 0.65 Isocitrate M-H 4.6 NS 1.37 a
243.061 0.85 Uridine/pseudouridine M-H 3.7 NS 1.44 b
191.018 1.07 Citrate M-H 5.3 NS  − 1.44 a
260.022 1.79 Unknown M-H 3.2 NS  − 1.13 d
216.032 1.92 Tyramine-O-sulfate M-H 3.3 NS 3.48 b
277.003 3.64 Unknown M-H 4.1 0.050 6.12 b
263.102 3.84 Phenylacetylglutamine M-H 6.5 NS −1.04 b
243.134 4.18 Hydroxyprolyl-Isoleucine M-H 4.3 0.041 2.29 b
269.149 4.91 Unknown 5.6  < 0.001 2.76 c
329.16 5.63 Unidentified steroid M-H 3.3 NS 9.74 c
331.175 5.99 Unidentified steroid M-H 3.4 NS 1.10 c
514.283 6.09 Taurocholic acid M-H 4.4 NS 2.43 b
464.301 6.24 Glycocholic acid M-H 3.2 NS −2.32 a

FC = fold change; RT = retention time; VIP = variable importance in projection score Level of metabolite identification: (a) identified compound; (b) putatively annotated compound; (c) putatively characterised compound class; and (d) unknown False discovery rate adjusted p-value (or q-value).