Table 2.
m/z | Time (sec) | Metabolite | Adduct | Error (ppm) | r | p-value | q-value |
---|---|---|---|---|---|---|---|
166.0533 | 281 | Methionine sulfoxide | [M+H] | 0 | 0.648 | 5.59E-5 | 0.0273 |
862.6339 | 137 | PC 42:6 | [M+H] | 2 | −0.357 | 9.89E-5 | 0.0273 |
524.3711 | 270 | LysoPC 18:0 | [M+H] | 0 | 0.669 | 3.57E-4 | 0.0407 |
287.2442 | 320 | Diacetylspermine | [M+H] | 0 | 0.318 | 6.36E-4 | 0.0425 |
522.3556 | 270 | LysoPC 18:1 | [M+H] | 0 | 0.599 | 2.69E-3 | 0.1272 |
175.1190 | 305 | Arginine | [M+H] | 0 | 0.254 | 2.78E-3 | 0.1272 |
496.3397 | 274 | LysoPC 16:0 | [M+H] | 0 | 0.598 | 2.86E-3 | 0.1272 |
133.0972 | 308 | Ornithine | [M+H] | 0 | 0.304 | 2.98E-3 | 0.1277 |
482.3240 | 196 | LysoPE 18:0 | [M+H] | 0 | 0.579 | 3.70E-3 | 0.1428 |
466.3288 | 192 | LysoPE O-18:1 | [M+H] | 0 | 0.640 | 4.80E-3 | 0.1586 |
147.1128 | 311 | Lysine | [M+H] | 0 | 0.197 | 6.72E-3 | 0.1920 |
176.1030 | 257 | Citrulline | [M+H] | 0 | 0.307 | 8.68E-3 | 0.2061 |
112.0869 | 303 | Histamine | [M+H] | 0 | 0.284 | 9.54E-3 | 0.2152 |
808.5817 | 215 | PC 36:2 | [M+Na] | 1 | 0.161 | 0.0127 | 0.2314 |
415.2607 | 222 | Lithocholic acid | [M+K] | 0 | −0.193 | 0.0141 | 0.2314 |
526.2913 | 192 | LysoPE 22:6 | [M+H] | 2 | 0.310 | 0.0159 | 0.2431 |
660.5332 | 157 | PE ae 32:0 | [M+H-H2O] | 0 | −0.049 | 0.0183 | 0.2456 |
772.6232 | 218 | PC ae 36:2 | [M+H] | 2 | 0.678 | 0.0186 | 0.2456 |
205.0971 | 182 | Tryptophan | [M+H] | 0 | 0.309 | 0.0198 | 0.2467 |
703.5729 | 247 | SM 34:1 | [M+H] | 2 | 0.150 | 0.0205 | 0.2467 |
241.0311 | 306 | Cystine | [M+H] | 0 | 0.420 | 0.0207 | 0.2467 |
138.0550 | 267 | Trigonelline | [M+H] | 0 | 0.153 | 0.0221 | 0.2467 |
Metabolites p<0.05, q<0.25 are shown following deconvolution to remove redundant features that correspond to the same chemical. In such cases, the m/z feature with the highest mean intensity was selected.