Adduct | Metabolites | Metabolic pathway | M-to-Z | Rt, s | VIP | FC | P-value |
---|---|---|---|---|---|---|---|
M+ | Choline | Glycerophospholipid metabolism | 104.11 | 559.22 | 3.47 | 1.25 | 0.0042 |
(M + H)+ | Hypoxanthine | Purine metabolism | 137.05 | 349.60 | 6.37 | 1.33 | 0.0058 |
M+ | Glycerophosphocholine | Glycerophospholipid metabolism | 258.11 | 781.81 | 8.80 | 1.53 | 0.0124 |
(M + H)+ | N1-Methyl-2-pyridone-5-carboxamide | Nicotinate and nicotinamide metabolism | 153.07 | 127.37 | 1.36 | 1.32 | 0.0212 |
(M + Na)+ | D-Mannose | Lysosome | 203.05 | 574.98 | 1.70 | 0.65 | 0.0314 |
(M + H)+ | L-Pyroglutamic acid | Glutathione metabolism | 130.05 | 751.76 | 1.85 | 0.65 | 0.0344 |
(M + Na)+ | 1-Palmitoyl-sn-glycero-3-phosphocholine | ― | 518.32 | 386.60 | 1.49 | 1.24 | 0.0575 |
(M-H + 2Na)+ | 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine | ― | 568.34 | 367.11 | 4.30 | 1.74 | 0.0699 |
(M + H)+ | 5-Methylcytosine | Pyrimidine metabolism | 126.07 | 403.47 | 1.05 | 0.66 | 0.0741 |
(M + H)+ | 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine | ― | 454.29 | 396.52 | 1.27 | 1.57 | 0.0790 |
(M + H-2H2O)+ | 2-Amino-2-methyl-1,3-propanediol | ― | 70.06 | 541.31 | 1.15 | 0.78 | 0.0801 |
(M + H)+ | 2-Hydroxyadenine | Purine metabolism | 152.06 | 457.91 | 1.50 | 1.32 | 0.0813 |
(M + H)+ | Deoxycytidine | Pyrimidine metabolism | 228.10 | 421.57 | 1.02 | 0.74 | 0.0881 |
(M-H)- | L-Malic acid | Renal cell carcinoma | 133.01 | 727.91 | 1.80 | 1.85 | 0.0009 |
(M + Na-2H)- | 1-Oleoyl-L-alpha-lysophosphatidic acid | ― | 457.23 | 438.26 | 1.67 | 1.63 | 0.0027 |
(M-H)- | 4-Nitrophenol | ― | 138.02 | 59.08 | 1.05 | 0.82 | 0.0167 |
(M-H)- | Arachidonic acid | Biosynthesis of unsaturated fatty acids | 303.23 | 67.07 | 16.18 | 1.77 | 0.0170 |
(M-H)- | Stearic acid | Biosynthesis of unsaturated fatty acids | 283.26 | 349.68 | 1.11 | 1.58 | 0.0183 |
(M-H)- | Ketoisocaproic acid | Valine, leucine and isoleucine degradation | 129.06 | 94.17 | 5.75 | 1.20 | 0.0218 |
(M + Na-2H)- | Stavudine | ― | 245.05 | 539.43 | 1.16 | 0.30 | 0.0281 |
(M-H)- | Hypoxanthine | Purine metabolism | 135.03 | 298.92 | 7.13 | 1.25 | 0.0335 |
(M-H)- | 9R,10S-EpOME | ― | 295.23 | 75.32 | 1.46 | 1.68 | 0.0373 |
(M + CH3COO)- | Phosphorylcholine | Glycerophospholipid metabolism | 242.08 | 721.65 | 1.32 | 2.28 | 0.0387 |
(M-H)- | Succinate | Citrate cycle (TCA cycle) | 117.02 | 697.09 | 1.81 | 1.30 | 0.0409 |
(M-H)- | (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahexaenoic acid | Biosynthesis of unsaturated fatty acids | 327.23 | 67.13 | 8.88 | 1.87 | 0.0413 |
(M-H)- | Docosatrienoic acid | ― | 333.28 | 64.84 | 1.15 | 1.44 | 0.0459 |
(M-H)- | Palmitic acid | Biosynthesis of unsaturated fatty acids | 255.23 | 89.61 | 7.25 | 2.51 | 0.0478 |
(M-H)- | Eicosapentaenoic acid | Biosynthesis of unsaturated fatty acids | 301.22 | 68.36 | 4.80 | 1.90 | 0.0505 |
(M-H)- | Dihomo-gamma-linolenic acid | ― | 305.25 | 66.69 | 4.36 | 1.67 | 0.0543 |
(M-H)- | L-Ascorbic acid | Glutathione metabolism | 175.02 | 660.84 | 2.19 | 2.01 | 0.0617 |
(M-H)- | Norethindrone acetate | ― | 339.20 | 1152.64 | 1.82 | 0.64 | 0.0852 |
(M-H)- | Glycocholic acid | Bile secretion | 464.31 | 322.78 | 1.41 | 1.43 | 0.0884 |
(M-H)- | Nnamecis-9,10-epoxystearic acid | ― | 297.24 | 75.71 | 1.42 | 1.82 | 0.0895 |