Metabolites | p value (FPIES vs IgE)* | Formula | Mass | Chemical class | Kegg number | RT ZIC-pHILIC (min) | RT C18 (min) | Identification level |
---|---|---|---|---|---|---|---|---|
Arginine | 0.0496 | C6H14N4O2 | 174.1117 | Amino acids, peptides and analogues | C00062 | – | 0.78 | 1 |
Serine | 0.0156 | C3H7NO3 | 105.0426 | C00065 | – | 0.83 | 1 | |
N-Acetyl-DL-tryptophan | 0.0256 | C13H14N2O3 | 246.1004 | NA | – | 6.20 | 1 | |
l-Cysteine S-sulphate | 0.0496 | C3H7NO5S2 | 200.9766 | C05824 | 10.14 | – | 1 | |
Alpha-d-Aminoadipic acid | 0.0496 | C6H11NO4 | 161.0688 | C00956 | 9.21 | – | 1 | |
Threonine/l-homoserine/d-allo-threonine | 0.0386 | C4H9NO3 | 119.0582 | C00188/C00263/C05519 | 7.37 | – | 3 | |
Methionine | 0.0516 | C5H11NO2S | 149.0511 | C00073 | – | 1.05 | 1 | |
Phenylalanine | 0.0516 | C9H11NO2 | 165.0790 | C00079 | – | 2.09 | 1 | |
N-Isovaleroylglycine/N-acetyl-DL-valine/N-acetyl-DL-norvaline | 0.0987 | C7H13NO3 | 159.0895 | 2.19 | – | 3 | ||
Betaine/valine | 0.0591 | C5H11NO2 | 117.0790 | C00719/C00183 | 5.19 | – | 1 | |
Nicotinamide | 0.0048 | C6H6N2O | 122.0480 | Aromatic heteromonocyclic compounds | C00153 | – | 1.00 | 1 |
Theobromine | 0.0360 | C7H8N4O2 | 180.0647 | C07480 | – | 2.38 | 1 | |
Folic acid | 0.0048 | C19H19N7O6 | 441.1397 | C00504 | – | 4.64 | 1 | |
Uric acid | 0.0673 | C5H4N4O3 | 168.0283 | C00366 | – | 0.94 | 1 | |
Hypoxanthine | 0.0663 | C5H4N4O | 136.0385 | C00262 | – | 0.99 | 1 | |
Riboflavin | 0.0872 | C17H20N4O6 | 376.1383 | C00255 | – | 5.18 | 1 | |
3-Hydroxydecanoic acid/10-hydroxydecanoic acid | 0.0447 | C10H20O3 | 188.1412 | Organic acids and derivatives | C02774 | 1.42 | – | 3 |
2-Hydroxycaproic acid | 0.0591 | C6H12O3 | 132.0786 | NA | 2.11 | – | 1 | |
d-Galacturonic acid | 0.0390 | C6H10O7 | 194.0426 | Carbohydrates and carbohydrate conjugates | C08348 | 9.37 | – | 1 |
l-Arabitol/adonitol/d-arabitol | 0.0673 | C5H12O5 | 152.0685 | C00532/C00474/C01904 | 6.40 | – | 1 | |
Myristic acid | 0.0496 | C14H28O2 | 228.2089 | Lipids | C06424 | 1.36 | – | 1 |
DL-Alpha-hydroxystearic acid | 0.0256 | C18H36O3 | 300.2664 | NA | 1.34 | – | 1 | |
Methyl fatty acid | 0.0016 | C15H30O2 | 242.2246 | NA | 1.35 | – | 3 | |
C18:0-FA | 0.0214 | C18H36O2 | 284.2715 | NA | 1.34 | – | 3 | |
Palmitic acid | 0.0663 | C16H32O2 | 256.2402 | C00249 | 1.35 | – | 1 |