Ionization mode | Metabolites | Adduct | VIP | Fold change | P value | Retention time (S) | m/z | Related pathway |
---|---|---|---|---|---|---|---|---|
ESI (+) | Stearoylcarnitine | (M + H)+ | 1.5381 | 1.8064 | 0.0347 | 254.1865 | 428.3754 | Fatty acid beta-oxidation |
ESI (+) | L-Palmitoylcarnitine | (M + H)+ | 1.4626 | 1.6676 | 0.0158 | 263.4055 | 400.3447 | Fatty acid beta-oxidation |
ESI (+) | Cholic acid | (M + NH4)+ | 10.7858 | 3.6272 | 0.0358 | 383.6785 | 426.3243 | Primary bile acid biosynthesis |
ESI (−) | Taurine | (M-H)- | 1.1519 | 1.3343 | 0.0687 | 537.531 | 124.0072 | Primary bile acid biosynthesis |
ESI (+) | Adenosine | (M + H-H2O)+ | 1.2463 | 2.4131 | 0.0919 | 163.891 | 250.0973 | Purine metabolism |
ESI (−) | Hypoxanthine (HYPO) | (M-H)- | 4.6457 | 0.4923 | 0.0350 | 304.1335 | 135.0318 | Purine metabolism |
ESI (−) | L-Tryptophan | (M-H)- | 1.1472 | 0.8695 | 0.0608 | 469.231 | 203.0821 | Biosynthesis of proteins |
ESI (−) | D-Mannose | (M + CH3COO)- | 1.3052 | 0.7540 | 0.0746 | 560.7445 | 239.0763 | Antioxidation |
ESI (−) | 4-Pyridoxic acid | (M-H)- | 3.0237 | 0.5923 | 0.0002 | 69.6135 | 182.0455 | Vitamin B6 metabolism |
ESI (+) | 4-Pyridoxic acid | (M + H)+ | 2.9734 | 0.5609 | 0.0001 | 67.7175 | 184.0648 | Vitamin B6 metabolism |
ESI (+) | 1-Stearoyl-sn-glycerol 3-Phosphocholine (LPC) | (M-H + 2Na)+ | 1.4861 | 1.4210 | 0.0037 | 283.888 | 568.3406 | Major phospholipid components in serum (liver toxicity) |
ESI (+) | 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (DOPC) | (M + H)+ | 11.7198 | 0.5475 | 0.0848 | 169.062 | 786.5999 | Structure of cell membranes |
ESI (+) | Acetylcarnitine | (M + H)+ | 3.1389 | 0.8104 | 0.0811 | 564.452 | 204.1271 | Related to ammonia concentration |
ESI (−) | Salicyluric acid | (M-H)- | 2.9182 | 0.3989 | 0.0000 | 302.264 | 194.0461 | Energy metabolism |
ESI (−) | Salicylic acid | (M-H)- | 7.7978 | 0.3045 | 0.0001 | 64.863 | 137.0247 | Immune function modulation |
ESI (−) | DL-Lactate | (M-H)- | 11.3476 | 0.7210 | 0.0316 | 413.5235 | 89.02506 | Central carbon metabolism in cancer |