Table 4.
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).