metabolite_name 1 2 3 4 5 6 7 8 9 Ghost (blank) Pyruvic acid 19.27 19.15 19.59 18.76 19.9 16.12 17.73 19.6 19.84 Lactic acid 24.4 24.13 24.25 24.19 25.32 24.29 23.6 24.49 24.82 12.83 2-Hydroxyisobutyric acid 13.26 13.58 12.91 Glycolic acid 16.69 15.34 16.95 17.57 17.16 15.46 16.65 3-Methyl pyruvic acid 13 11.28 Alanine 20.26 21.12 20.13 20.85 20.9 20.9 21.04 20.41 20.73 2-Ketovaline 15.6 14.05 15.48 15.65 15.46 14.26 14.84 14.33 14.76 2-Hydroxybutyric acid 17.6 18.17 18.92 18.3 19.33 19.08 18.57 18.49 19.33 P-Cresol 13.56 11.85 13.46 12.12 13.36 12.07 Leucine 17.29 17.49 17.49 17.6 17.93 17.52 18.07 17.53 16.85 3-Hydroxybutyric acid 18.74 19.55 19.25 18.93 20.34 21.96 18.92 19.94 17.72 2-Hydroxyvaleric acid 14.66 16.87 14.72 16.52 16.32 15.29 15.13 14.08 15.14 N-Methylalanine/2-Aminobutanoic acid 14.62 16.1 15.09 15.35 16.45 16.02 15.76 17.48 15.21 2-Ketoleucine/ketoisoleucine 17.22 15.55 16.87 17.03 16.97 16.78 16.22 17.02 16.96 Valine 18.53 20.28 18.78 20.15 20.39 19.47 19.59 19.83 18.98 Urea 25.05 26.03 25.25 26.2 26.22 25.5 25.6 25.73 25.4 Caprylic acid 15.42 16.97 13 15.75 15.4 15.18 16.63 16.9 14.43 Ethanolamine 14.17 13.67 14.8 15.09 15.06 15.5 16.63 17.59 14.8 Phosphoric acid 23.93 24.92 24.59 25.03 25.41 25.29 24.29 24.65 25.07 20.07 Glycerol 21.39 20.95 23.12 23.4 23.36 24.29 23.97 21.25 18.21 Isoleucine/Leucine 16.83 18.11 17.45 17.86 19.46 18.28 16.91 16.75 16.41 Proline 18.54 19.97 17.49 18.55 20.2 19.24 17.65 17.16 16.62 Glycine 18.96 18.69 19.63 19.34 20.44 20.85 19.88 20.88 20.06 Succinic acid 16.79 16.78 19.06 16.46 Maleic acid 15 15.77 16 15.8 13.3 15.97 Glyceric acid 15.72 17.13 16.36 17.89 17.09 18.28 17.08 17.32 17.57 Uracil 12.91 11.32 Fumaric acid 11.93 13.24 11.79 12.62 Serine 17.69 19.91 18.1 19.02 20.44 20.48 15.95 17.47 18.43 Pelargonic acid 11.28 13.06 12.32 13.77 12.2 13.22 Threonine 18.95 21.51 18.89 20.06 21.44 20.69 17.36 18.03 19.26 beta-Alanine 10.99 11.93 12.57 12.74 11.17 Capric acid 14.59 11.4 12.52 12.96 13.39 14.32 15.65 15.05 Aminomalonic acid 17.73 19.9 19.68 20.65 20.57 17.64 20.12 Malic acid 13.36 15.54 16.58 16.87 17.74 14.3 15.66 15.57 Threitol/Erythritol 16.11 17.92 16.24 16.98 17.39 16.81 15.71 16.49 16.69 Aspartic acid 13.3 15.96 13.56 15.24 16.14 15.35 13.01 13.78 14.41 3-Methyloxyindole 15.85 17.4 Methionine 15.81 17.41 15.46 16.73 17.85 17.05 13.66 15.84 16.04 Hydroxyprolines 16.04 16.57 16.28 16.49 19.59 16.29 13.77 15.74 16.84 Erythronic acid 14.11 16.01 14.95 16.35 16.56 16.68 15 15.66 16.23 Threonic acid 17.36 18.43 17.88 18.98 19.03 17.48 17.78 18.46 Oxoglutaric acid 15.79 17.65 18.43 17 13.88 Glutamic acid 19.33 18.53 17.58 20.63 21.72 22.02 17.96 18.45 19.52 3-Hydroxymethylglutaricacid 19.04 19.69 Phenylalanine 18.83 20.28 19.28 20.19 20.8 20.26 19.12 19.46 19.23 Lauric acid 15.65 13.94 16.6 14.72 16.19 17.14 16.29 17.45 Aldopentoses 12.92 14.46 13.41 12.77 12.15 14.67 14.89 14.96 13.87 Pyrophosphate 14.72 16.08 16.78 16.81 16.93 17.58 16.83 16.89 17.92 Asparagine 16.65 18.21 17.45 17.68 18.8 18.57 16.53 17.33 17.59 Pentitols 14.74 17.11 15.01 16.19 16.33 15.69 15.06 15.58 15.46 6-Deoxyhexose 13.78 12.78 13.13 12.54 14.44 12.79 13.69 14.08 sn-Glycero-3-phosphate 11.94 16.47 16.89 16.56 17.71 13.41 14.84 15.35 Gentisic acid 12.03 13.17 Pentonic acids 13.17 13.75 11.59 13.74 14.04 11.7 Glutamine 19.7 21.55 20.56 21.88 21.94 21.39 19.52 20.49 21.49 Phosphoethanolamine 12.9 15.11 14.77 3-Phosphoglyceric acid 16.23 16.99 14.79 Shikimic acid 15.75 16.27 16.23 15.48 17.21 16.57 14.38 17.76 Hippuric acid 13.01 14.43 3-Methylhistidine 11.81 13.32 Hypoxanthine 14.14 15.5 13.48 10.42 14.37 15.11 14.48 15.37 Citric acid/isocitric acid 19.59 21.26 20.5 21.05 22.38 22 19.63 20.99 21.15 Ornithine 18.4 18.81 18.47 18.62 19.9 19.3 19.63 19.18 18.77 Arginine/Citrulline 12.4 12.93 12.1 1,5-Anhydrosorbitol 22.01 21.46 21.09 22.36 22.51 22.43 21.13 22.22 21.44 Myristic acid 17.29 15.51 19.02 15.87 16.78 16.95 17.2 19.72 14.45 12.14 Quinic acid 13.13 14.17 13.67 15.36 15.59 Caffeine 16.51 13.54 14.84 17.48 Fructose or similar ketohexose 16.85 19.68 16.23 19 18.92 17.32 17.82 17.82 17.86 Dehydroascorbic acid 19.93 18.85 19.77 19.88 17.05 17.69 20.24 Hexose 26.45 26.76 26.49 26.71 26.74 26.63 26.56 26.57 26.99 10.45 Histidine 15.88 18.29 16.14 17.94 18.22 18.14 15.16 16.16 17.31 Lysine 18.59 20.68 19.89 20.16 21.03 20.8 19.72 20.02 20.47 Methyl palmitate 16.79 21.56 16.61 19.95 18.57 20.99 21.23 21.56 18.92 Tyrosine 19.2 20.38 19.79 19.82 20.4 20.46 19.9 20.1 19.82 Gluconic acid 18.73 19.89 19.06 19.9 20.05 20.14 19.36 19.28 21.34 Indoleacetic acid 12.82 12.78 13.23 12.66 14.29 13.6 12.82 12.31 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 12.9 13.21 12.37 12.5 13.73 5-Hydroxylysine 12.16 13.14 12.39 10.08 12.83 Palmitoleic acid 17.11 17.27 19.49 17.58 19.14 19.21 17.61 20.37 16.66 Palmitic acid 23.14 22.49 23.8 22.68 23.06 23.4 23.09 23.64 22.15 21.9 3-Indolepropionic acid 11.18 14.93 11.67 12.88 14.8 13.66 13.72 14.97 Myo-inositol 18.75 20.17 19.08 20.14 19.84 20.05 18.88 19.49 19.83 Uric acid 21.2 19.97 20.81 21.26 21.41 21.81 19.52 19.42 21.17 Methyl linoleate 18.78 17.57 15.42 19.41 19.58 20.59 16.27 Methyl oleate 18.22 16.56 14.23 18.02 18.37 19.14 15.47 Methyl stearate 16.57 21.52 17.98 20.46 18.72 21.84 22.02 22.58 19.53 Heptadecanoic acid/Octadecanol 13.95 12.15 14.85 13.18 13.94 14.34 14.34 15.83 10.45 3-Indolelactic acid 12.84 14.03 1-Methyltryptophan 11.85 14.44 14.26 15.72 15.77 10.55 12.52 Linoleic acid 21.79 19.53 23.05 21.15 21.53 22.52 21.8 22.78 20.46 17.04 Tryptophan 18.83 17.92 18.77 19.8 20.79 19.47 18.93 19.27 20.03 Oleic acid 22.89 20.87 23.97 21.57 22.77 23.14 23.03 23.74 20.6 14.81 Cystine 14.84 16.79 14.14 15.13 17.43 15.95 16.36 Hexose 6-phosphate 10.84 10.7 12.97 10.76 Arachidonic acid 16.26 17.53 17.91 18.78 17.61 19.14 18.2 18.21 18.34 16.18 Arachidic acid/ 1-Heneicosanol 12.4 13.99 13.97 13.65 13.24 13.63 13.79 11.87 5-Methoxytryptamine/Serotonin 16.89 16.66 17.07 MG 0:0/16:0/0:0 17.14 17.8 18.26 18.04 18.02 17.93 17.93 17.8 18.04 15 Docosahexaenoic acid 14.36 14.48 12.27 15.77 15.31 14.28 14.26 Cellobiose or similar disaccharide 16.26 18.86 14.97 17.75 17.57 19.8 19.19 16.9 18.05 MG 0:0/18:0/0:0 20.52 21.08 21.55 21.22 21.04 21.08 21.15 20.95 21.17 18.44 MG 18:1(9Z)/0:0/0:0 12.24 13.06 13.54 13.02 14.07 14.07 13.6 15.34 13.87 12.38 Maltose or similar disaccharide 12.46 16.64 11.93 15.22 14.67 17.79 17.06 13.67 15.6 gamma-Tocopherol 15.03 16.35 16.77 15.35 15.43 16.06 15.51 15.74 16.79 AMP 12.58 10.36 alpha-Tocopherol 17.85 19.6 19.24 19.65 18.84 19.65 19.62 19.76 19.35 Cholesterol 24.06 25.82 25.32 25.25 24.86 25.67 25.75 25.68 25.22 Campesterol 11.63 13.16 13.07 16.7 12.74 Sitosterol 12.89 13.88 15.81 metabolite_name Retention time Pyruvic acid 6.599 Lactic acid 6.753 2-Hydroxyisobutyric acid 6.813 Glycolic acid 7.005 3-Methyl pyruvic acid 7.384 Alanine 7.403 2-Ketovaline 7.49 2-Hydroxybutyric acid 7.749 P-Cresol 8.203 Leucine 8.233 3-Hydroxybutyric acid 8.258 2-Hydroxyvaleric acid 8.307 N-Methylalanine/2-Aminobutanoic acid 8.438 2-Ketoleucine/ketoisoleucine 9.032 Valine 9.073 Urea 9.526 Caprylic acid 9.808 Ethanolamine 9.816 Phosphoric acid 9.877 Glycerol 9.885 Isoleucine/Leucine 10.18 Proline 10.264 Glycine 10.374 Succinic acid 10.478 Maleic acid 10.551 Glyceric acid 10.663 Uracil 10.798 Fumaric acid 10.977 Serine 11.079 Pelargonic acid 11.145 Threonine 11.419 beta-Alanine 12.012 Capric acid 12.419 Aminomalonic acid 12.532 Malic acid 12.744 Threitol/Erythritol 12.971 Aspartic acid 13.154 3-Methyloxyindole 13.16 Methionine 13.168 Hydroxyprolines 13.236 Erythronic acid 13.408 Threonic acid 13.607 Oxoglutaric acid 13.83 Glutamic acid 14.362 3-Hydroxymethylglutaricacid 14.362 Phenylalanine 14.479 Lauric acid 14.79 Aldopentoses 14.806 Pyrophosphate 14.801 Asparagine 14.932 Pentitols 15.471 6-Deoxyhexose 15.547 sn-Glycero-3-phosphate 15.932 Gentisic acid 15.945 Pentonic acids 15.953 Glutamine 16.104 Phosphoethanolamine 16.191 3-Phosphoglyceric acid 16.416 Shikimic acid 16.417 Hippuric acid 16.457 3-Methylhistidine 16.467 Hypoxanthine 16.482 Citric acid/isocitric acid 16.569 Ornithine 16.575 Arginine/Citrulline 16.655 1,5-Anhydrosorbitol 16.931 Myristic acid 16.948 Quinic acid 16.975 Caffeine 17.026 Fructose or similar ketohexose 17.178 Dehydroascorbic acid 17.189 Hexose 17.359 Histidine 17.642 Lysine 17.671 Methyl palmitate 17.769 Tyrosine 17.845 Gluconic acid 17.985 Indoleacetic acid 18.106 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 18.239 5-Hydroxylysine 18.531 Palmitoleic acid 18.727 Palmitic acid 18.923 3-Indolepropionic acid 19.277 Myo-inositol 19.297 Uric acid 19.363 Methyl linoleate 19.414 Methyl oleate 19.473 Methyl stearate 19.706 Heptadecanoic acid/Octadecanol 19.847 3-Indolelactic acid 20.084 1-Methyltryptophan 20.095 Linoleic acid 20.457 Tryptophan 20.465 Oleic acid 20.508 Cystine 21.133 Hexose 6-phosphate 21.303 Arachidonic acid 21.817 Arachidic acid/ 1-Heneicosanol 22.408 5-Methoxytryptamine/Serotonin 22.539 MG 0:0/16:0/0:0 23.267 Docosahexaenoic acid 23.343 Cellobiose or similar disaccharide 24.624 MG 0:0/18:0/0:0 24.711 MG 18:1(9Z)/0:0/0:0 24.798 Maltose or similar disaccharide 24.825 gamma-Tocopherol 26.521 AMP 26.889 alpha-Tocopherol 27.466 Cholesterol 27.612 Campesterol 28.313 Sitosterol 28.945