metabolite_name CTRL2 SD4 2RT33 3RT25 3RT30 SD1 SD2 2RT32 14 3RT39 33 34 48 15 46 23 18 22 10 32 Unknown-possibly propylene glycol 17.45 16.7 17.65 17.77 17.1 16.96 16.71 17.48 16.8 16.78 25.02 24.17 23.52 25.23 22.99 22.38 22.33 23.53 21.85 23.22 Decamethyltetrasiloxane 14.05 13.39 11.9 16.14 13.45 14.09 14.69 14.12 14.48 14.17 13.62 13.78 14.03 13.59 13.69 13.95 14.33 13.67 13.76 2-Hydroxypyridine 15.35 15.19 15.43 14.79 14.89 15.14 15.18 15.02 15.23 15.45 15.58 14.93 15.26 15.22 14.39 15.11 16.28 14.96 15.32 15.19 Pyruvic acid 14.68 13.62 13.85 13.28 14.22 14.28 13.96 14.33 14.71 14.53 13.99 14.03 13.38 12.08 Phenol 14.6 14.28 14.38 14.64 14.21 13.92 13.27 14.02 14.06 13.56 13.83 14.04 Lactic acid 24.11 23.85 23.15 23.62 23.11 23.78 23.49 22.87 23.88 24.08 23.02 22.67 22.24 23.73 22.46 22.22 22.26 22.68 22.26 23.04 C10 hydrocarbon 14.53 14.6 16.07 15.28 14.83 15.08 15.25 16.72 15.18 15.85 16.26 Alanine 20.45 20.48 20.04 19.28 20.75 20.54 18.12 19.9 21.38 20.97 18.21 19.51 19.36 20.73 19.25 19.29 19.28 18.48 18.14 19.83 C11 hydrocarbon 14.43 14.14 14.31 14.23 14.11 14.64 14.85 14.48 14.11 14.6 13.71 14.63 14.03 14.59 14.31 14.23 14.45 14.32 13.64 2-Hydroxybutyric acid 15.49 14.65 15.97 15.95 15.17 15.28 15.02 15.49 14.53 15.14 16.43 16.9 17.02 17.64 17.15 17.99 17.77 16.32 17.49 16.36 beta-Hydroxybutyric acid 18.89 20.23 19.42 19.1 18.59 18.89 20.02 19.67 19.7 19.37 22.34 21.21 22.5 20.03 21.42 22.65 22.22 21.75 21.78 20.87 2-Aminobutanoic acid 12.02 13.55 12.66 12.3 11.67 12.43 14.01 12.81 13.73 14.84 12.8 14.51 14.04 13.8 12.16 12.94 O-Methylphosphate 19.58 20.18 20 19.58 19.95 19.55 20.04 20.15 20.76 20.22 19.75 19.76 20.25 20.56 20.08 20.42 19.93 20.09 19.99 20.38 Malonic acid 17.01 17.01 17.47 17.81 16.8 17.31 17.61 16.7 17.63 17.31 16.91 16.73 17.82 17.57 17.11 17.65 16.88 17.77 17.02 17.5 Valine 17.93 18.46 18.48 18.44 18.98 19.15 17.62 18.2 19.08 18.98 19.25 19.33 19.21 19.33 19.35 19.77 19.09 18.68 18.26 18.94 C12 hydrocarbon 13.46 13.04 13.32 13.57 13.29 12.82 13.66 13.25 13.27 13.43 12.65 13.39 13.68 12.88 12.96 13.62 Urea 22.78 22.45 22.39 22.36 22.31 22.78 22.49 22.26 22.84 22.88 23.21 23.7 23.7 24.26 24.16 23.66 22.97 23.82 23.3 23.95 Benzoic acid 16.44 16.26 16.51 16.65 16.65 16.22 16.36 16.75 16.08 16.33 16.31 16.41 16.36 16.21 16.28 16.48 16.53 16.36 16.24 15.83 Ethanolamine 17.9 18.16 18.68 17.46 18.03 17.71 17.87 19.27 18.72 18.68 17.48 16.14 18.73 17.27 18.37 19.06 17.45 16.69 16.28 18.27 Pipecolic acid 15.58 15.22 14.56 Phosphoric acid 25.31 25.81 25.69 25.51 25.57 25.56 25.79 25.52 26.12 26.1 25.03 25.42 25.81 26.05 25.8 25.85 25.51 25.46 25.44 25.93 Glycerol 20.31 21.23 20.74 22.08 22.01 20.86 20.89 20.53 22.15 22.03 19.63 20.86 20.68 22.42 21.75 22.32 21.17 20.59 20.8 21.39 C13 hydrocarbon 15.12 15.24 15.47 14.93 15.55 15.62 15.49 15.42 15.31 15.11 14.96 14.77 15.09 15.11 15.1 15.63 15.13 15.43 15.21 15.11 Isoleucine/Leucine 18.42 17.81 18.19 18.24 18.27 19.12 19.91 18.4 18.21 18.75 19.03 18.74 18.67 19.03 18.69 17.54 18.03 18.08 Proline 16.75 15.93 16.71 15.47 16.97 16.45 14.4 16.73 16.74 17.15 15.77 16.64 17.09 17.03 16.36 17.63 16.14 15.54 15.66 16.25 Glycine 21.95 22.18 22.34 21.96 22.08 21.95 21.89 22.24 22.5 22.43 22.62 22.75 23.35 23.08 22.92 23.49 22.66 22.47 22.74 23.27 Succinic acid 18.83 19.9 17.28 17.87 17.36 18.48 20.24 16.55 18.56 18.92 18.41 19.04 19.24 19.18 21.14 18.52 18.57 19.77 18.32 Glyceric acid 15.03 14.38 14.15 14.98 15.26 14.71 15.89 14.77 15.84 16.44 MSTFA artifact 17.64 17.84 17.44 17.35 17.75 17.52 18.23 17.57 17.83 18.7 16.49 17.79 17.77 17.64 17.51 18.08 18.15 17.85 18.27 18.08 Uracil 15.89 17.12 16.71 14.73 16.92 15.89 17.01 16.93 17.47 16.47 16.7 16.91 17.36 17.61 17.22 18.74 17.97 17.45 17.35 19.12 Fumaric acid 18.74 18.33 18.53 18.38 18.56 18.29 18.93 18.36 19.7 18.85 18.93 19.63 18.77 20.05 19.49 19.42 19.13 19.18 19.75 19.72 Serine 19.36 19.46 20.02 19.03 20.16 19.89 18.85 20.22 20.48 20.45 17.75 17.87 18.63 17.93 17.97 19.24 18.42 16.66 17.62 19.51 Nonanoic acid 12.58 12.05 12.96 12.85 12.91 13.1 Threonine 19.42 19.35 19.79 19.43 19.9 20.04 19.38 20.04 20.39 20.38 18.04 18.02 19.04 18.62 18.18 19.09 18.32 17.49 17.77 19.58 Hydroquinone or Resorcinol 10.57 13.01 11.05 13.16 12.96 14.82 11.03 12.96 14.21 14.08 13.12 6-Methyluracil 13.88 13.9 13.76 14.56 13.97 15.28 14.33 15.19 14.59 12.08 14.04 12.73 13.32 Methionine 14.72 15.47 15.27 16.19 16.23 16.04 16.11 15.48 16.66 15.72 14.62 15.72 15.18 15.66 14.48 13.93 16.15 15.3 Aspartic acid 19.26 18.93 19.29 19.68 20.03 18.84 18.98 19.49 19.81 19.72 19.26 19.61 19.49 20.7 19.99 19.64 19.18 18.96 19.41 20.42 beta-Alanine 18.1 18.26 18.65 18.32 18.2 18.22 18.27 18.67 19.02 18.89 17.53 17.92 17.83 19.11 17.54 18.55 17.52 17.71 17.63 18.19 Threose/erythrose 13.76 14.05 14.83 14.22 15.54 15.67 16.38 15.62 14.26 14.35 15.51 Aminomalonic acid 18.69 19.01 19.15 18.74 19.45 18.69 19.06 19.16 19.45 19.73 19.56 19.89 20.43 20.07 19.33 20.35 19.52 19.22 20 20.18 Aspartic acid ??? 14.62 14.88 14.91 14.87 15.95 15.98 14.38 14.31 15.01 13.95 Nicotinamide 19.07 19.14 19.08 19.44 19.21 18.72 18.77 19.7 19.53 19.57 18.94 19.25 19.28 19.39 19.44 19.7 19.11 19.04 19.2 19.47 Malic acid 21.97 21.97 22.08 21.74 21.91 21.61 21.97 21.51 22.83 22.27 22.16 22.61 21.8 23.38 22.65 22.4 22.22 22.12 22.53 22.56 C15 hydrocarbon 15.74 15.61 15.66 15.5 15.89 15.74 15.55 15.73 15.64 15.9 15.68 15.8 15.5 15.81 15.9 15.96 15.92 15.93 15.84 15.8 Threitol/erythritol 14.64 15.07 13.66 13.26 14.5 16.02 14.45 13.37 13.63 14.8 14.97 14.74 14.19 14.16 Salicylic acid 12.66 12.49 12.91 12.05 13.16 11.4 Glutamic acid 21.97 22.2 22.26 22.54 21.91 22.03 22.17 21.98 21.89 22.12 21.02 21.5 21.81 21.53 21.25 22.06 21.69 21.65 21.7 22.49 Hydroxyprolines 14.17 13.95 13.65 14.12 15.18 15.67 15.07 16.34 15.28 16.01 15.06 15.34 15.26 14.92 Erythronic acid 13.65 14.9 14.63 13.16 13.51 14.67 14.01 13.93 13.95 14.42 14.73 13.35 13.61 13.23 14.31 14.09 Hexadecamethylheptasiloxane 13.5 13.16 12.01 12.84 7H-Purine/Phenylalanine 16.16 16.88 16.21 17.1 17.34 17.03 16.79 16.58 17.56 17.2 13.51 14.52 15.49 15.94 15.52 15.63 15.4 14.2 15.02 16.13 Cysteine/Creatinine 17.85 17.1 18.1 17.55 17.48 17.56 17.48 17.42 18.04 17.63 17.59 20.51 19.71 20.4 18.81 20.41 17.98 19.68 19.38 19.87 Threonic acid 14.34 13.32 12.76 13.65 12.83 13 13.82 12.35 13.14 11.7 2-Hydroxyglutaric acid 14.89 15.26 14.77 15.21 15.62 15.11 15.46 15.87 15.39 6-Hydroxynicotinic acid 14.83 12.9 14.47 14.85 13.83 13.28 12.98 13.14 Phosphoenolpyruvic acid 18.21 17.37 17.72 17.14 17.51 17.65 16.48 17.99 17.14 18.49 16.33 13.16 14.62 17.2 16.68 14.21 15.63 14.03 15.82 2-Hydroxybiphenyl 18.93 18.81 19.02 19.27 18.76 19.59 19.87 17.51 18.17 18.7 17.34 19.92 Hypotaurine 19.36 18.26 18.85 20.3 19.16 19.72 18.93 18.78 20.26 19.58 16.35 16.11 17.1 18.62 18.28 17.14 16.91 16.28 16.18 19.18 Phenylalanine 18.44 18.98 18.81 18.81 19.26 19.16 18.83 18.95 19.53 18.99 16.98 17.53 18.55 17.97 17.87 18.36 18.02 17.15 17.4 18.33 5-Aminovaleric acid 14.17 14.09 13.84 14.03 14.6 14.09 13.14 N-Acetylaspartic acid 17.43 16.38 15.13 15.68 15.83 14.53 15.23 15.16 13.47 15.01 15.39 13.83 15.7 14.31 14.78 14.17 16.32 trans,trans-Muconic acid 15.1 17.03 16.09 15.46 16.03 16.49 15.6 16.24 17.22 16.27 15.48 15.92 15.96 13.29 Pyrophosphate 15.05 16.15 16 15.86 15.87 14.6 14.73 15.13 15.75 16.05 14.97 15.22 15.78 16.18 15.79 16.04 16.15 14.7 14.03 15.54 Taurine 15.99 13.67 18.66 18.05 16.83 12.28 15.05 Aldopentoses 20.52 21.95 21.35 20.94 21.37 20.86 21.55 21.28 21.98 21.85 22.22 21.94 22.68 21.64 22.72 23.2 22.39 21.78 22.17 21.95 Cysteinesulfinic acid 12.62 13.85 14.32 19.22 18.89 19.36 19.35 19.08 19.21 18.56 18.36 18.7 18.29 Octadecamethyloctasiloxane 14.46 14.02 14.9 14.41 14.22 14.04 14.36 14.4 13.76 14.66 14.27 15.08 14.84 14.17 14.34 14.06 2-Aminoadipic acid 19.52 19.75 19.52 19.34 19.25 18.91 19.23 19.46 18.73 19.47 18.95 14.3 19.13 17.48 19.39 19.13 19.15 19.09 18.71 18.82 N-Methylglutamic acid 13.26 13.81 13.85 14.3 14.43 17.48 13.33 13.55 14.03 Pentitols 17.72 18.59 18.02 18.12 18.3 18.17 18.37 17.58 18.83 18.95 18.53 18.14 18.14 18.13 18.95 19.7 18.23 17.67 17.71 17.37 Glycerol 1-phosphate 24.19 23.75 24.49 25.24 24.78 23.14 23.69 24.57 23.78 24.21 22.6 22.69 23.76 24.3 23.32 23.34 22.1 22.6 22.5 23.97 Glutamine 20.74 15.76 19.03 21.82 15.79 18.24 21.58 22.14 21.64 18.45 21.34 19.7 18.64 21.63 21.09 20.76 2-Phosphoglyceric acid 16.51 15.17 15.54 13.84 15.15 16.54 14.27 12.93 Pentonic acids 13.05 12.65 12.63 12.52 12.32 12.7 13.46 14.29 13.59 13.58 13.22 13.83 12.77 13.56 12.96 12.96 N-Acetylglutamic acid 14.99 15.82 17.36 15.85 O-Phosphocolamine 18.69 19.18 19.24 19.34 18.98 18.79 19.29 19.47 19.44 19.86 18.61 18.7 19.36 20.65 19.11 19.6 19.12 19.34 18.89 21.29 Gentisic acid 17.17 16.98 17.69 17.14 16.69 16.78 16.85 17.13 15.97 17 17.24 17.25 17.33 17.14 16.69 17.02 Hypoxanthine 19.84 20.88 20.62 19.85 20.25 20.94 20.57 20.29 21.84 20.79 20.58 20.98 21.49 20.48 21.71 21.64 21.06 20.66 20.83 20.87 Epinephrine 20.08 17.82 17.69 Cysteinylglycine 13.33 15.23 15.65 Ornithine 19.83 18.61 19.17 18.65 20.2 19.28 18.94 20.35 20 19.65 20.29 21.05 20.64 21.65 20.94 21.06 19.08 20.19 20.41 19.79 5,6 - Dimethylbenzimidazole 18.01 16.74 16.9 14.99 15.76 16.09 17.38 16.96 16.07 16.44 deuterated Myristic Acid (RTL std) 22.16 22.24 22.22 22.18 22.31 22.01 22.18 22.21 22.14 22.3 22.03 22.14 22.15 22.36 22.14 22.27 22.13 22.07 22.14 22.18 Dehydroascorbic acid 20.94 21.4 21.47 20.49 20.77 20.61 20.93 20.8 21.5 21.56 18.35 19.15 18.2 19.66 18.43 18.37 18.78 19.42 18.84 19.35 Eicosamethylnonasiloxane 14.07 13.97 13.87 12.85 14.53 14.21 Myristic acid or Pentadecanol 17.31 17.55 17.67 17.53 17.78 17.28 17.61 17.26 17.31 18.3 17.63 17.52 17.6 17.75 17.97 17.92 17.38 17.73 17.6 17.57 Methionine sulfoxide 15.11 17.31 16.51 3,5-Dimethoxycinnamic acid 13.69 13.85 14.12 13.5 14.55 14.56 14.92 14.06 14 Fructose or similar ketohexose 18.33 18.47 18.34 18.35 18.53 18.46 18.86 17.67 19.48 19.39 17.45 15.05 16.53 18.22 18.12 17.92 16.47 13.51 16.93 Allantoin 14.79 14.14 14.3 14.45 14.19 14.14 12.96 14.88 12.69 12.02 13.48 Glucose and other aldohexoses 27.69 27.77 27.62 27.6 27.5 27.69 27.54 27.36 27.68 27.72 27.42 27.42 26.99 27.89 27.51 27.48 26.99 26.9 26.93 27.4 Histidine 15.75 14.79 15.99 14.91 13.12 Lysine 19.61 18.01 19.52 18.71 20.73 19.72 18.14 20.8 20.12 20.16 20.01 20.23 20.39 20.71 20.2 20.26 19.57 19.91 19.94 20.98 Hexuronic acid 14.94 15.88 17.14 17.46 17.09 16.97 15.99 17.88 16.51 15.75 18.41 18.8 18.52 17.9 17.74 17.66 17.75 18.68 18.39 16.39 Tyrosine 17.09 16.11 17.71 17.4 19.15 17.88 16.68 18.62 18.09 18.45 18.34 18.69 19.19 18.62 18.13 18.4 17.87 18.2 18.29 18.33 Pentadecanoic acid 15.89 16.55 16.55 16.43 16.7 16.54 16.81 16.23 16.64 16.85 16.11 15.8 16.54 15.84 16.25 15.84 Sedoheptulose or similar sugar 21.1 21.33 20.9 20.87 20.62 21.13 21.53 20.61 21.69 21.38 20.75 20.65 20.25 21.6 20.89 20.75 20.09 19.98 20.01 20.64 Gluconic acid or similar sugar acid 21.11 21.98 20.46 19.83 20.04 21.27 21.17 20.62 22.23 22.6 19.37 20.27 20.24 20.4 20.17 20.58 20.22 20.2 20.63 19.7 Pantothenic acid 15.07 16.73 15.22 16.18 16.63 15.97 15.81 16.88 16.88 15.38 15.71 17.46 16.88 16.5 16.61 16.2 14.69 14.59 16.82 Xanthine 20.54 20.87 20.83 20.48 21.05 21.09 20.24 20.6 21.74 21.62 20.21 19.88 20.6 18.54 20.27 20.57 20.15 19.53 19.53 20.81 Cytindine-5'-monophosphate 12.75 13.08 13.53 13.25 12.64 13.36 12.68 Palmitoleic acid 18.54 16.5 17.71 18.23 17.9 19.11 17.92 17.11 17.8 17.94 15.33 15.23 5-Hydroxylysine 13.44 14.28 14.25 14.45 14.63 14.48 13.89 14.76 14.8 11.78 13.63 13.3 13.9 13.1 12.98 Palmitic acid 23.86 24.13 23.61 23.88 23.86 24.36 24.26 23.78 24.11 24.28 23.31 23.14 23.5 23.59 23.49 23.56 23.49 23.3 23.36 23.45 Hexosamine 16.78 19.01 17.17 17.23 16.48 18.61 18.35 17.95 18.02 18.92 17.1 16.73 17.26 18.61 17.51 18.42 16.88 17.99 17.54 19.02 Myoinositol 22.03 21.98 22.03 21.92 21.83 21.88 22.11 21.89 22.07 22.19 22.15 22.15 22.14 22.92 22.24 22.44 22 22.24 21.84 22.94 Uric acid 16.35 14.14 14.3 15.68 15.86 15.41 14.72 15.47 14.09 16.72 14.45 15.08 13.04 13.01 13.72 16.19 Ketopentose-5-phosphate 16.54 15.62 16.58 16.81 15.16 15.06 14.27 16.25 14.3 15.94 15.17 15.69 17.15 17.29 16.26 16.07 16.25 17.33 16.44 16.85 Normetanephrine 13.43 12.56 13.23 12.62 12.46 Heptadecanoic acid/Octadecanol 18.01 18.4 18.2 18.12 17.95 18.22 18.6 18.27 18.33 18.41 18.41 18.42 18.71 18.83 18.62 18.66 18.59 18.66 18.71 18.57 N1-Methyltryptamine 12.54 12.82 12.91 11.93 12.98 13.87 Glutathione (reduced) 16.44 15.28 15.93 14.27 16.35 15.61 14.7 14.31 14.2 C22 hydrocarbon 13.85 12.97 13.55 Phytol 13.49 12.14 14.03 13.19 13.38 12.6 12.02 12.94 Spermidine 19.51 18.5 19.28 18.91 18.94 19.23 19.36 19.34 19.15 19.4 19.56 20.85 19.42 20.29 19.95 20.24 19.79 20 20.77 21.27 3-Indolelactic acid/tryptophan 15.46 15.34 15.56 16.12 15.66 15.52 16.13 15.88 13.14 14.1 13.5 14.78 Linoleic acid 20.63 21.79 20.53 21.28 21.16 21.52 21.64 20.65 22.44 22.47 20.07 20.95 20.83 20.5 21.23 21.64 21.13 21.13 21.15 20.65 Oleic acid 19.92 21.36 20.33 20.94 21.47 20.85 20.95 20.47 21.56 21.45 20.02 20.81 20.38 20.08 20.97 21.34 21.1 20.88 21.25 19.68 Stearic acid 23.53 23.65 23.74 23.55 23.6 23.68 23.71 23.63 23.65 23.63 23.82 23.76 23.85 24.15 23.7 23.8 24.09 23.81 23.78 23.77 Cystine 17.12 19.07 16.67 17.06 16.38 16.33 17.35 Glucose-6-phosphate or similar 20.54 16.85 18.37 19.06 17.35 17.85 17.53 17.37 17.7 18.49 16.62 15.87 14.63 19.61 15.9 15.25 15.11 14.4 18.06 2-Aminoethanethiol/Glycylphenylalanine 13.43 12.97 12.38 12 1-Eicosanol 14.65 14.78 16.12 15.26 Arachidonic acid (also Eicosapentaenoic acid) 20.75 21.49 20.94 21.15 21.11 21.09 21.2 20.96 21.99 21.57 19.68 20.76 20.7 21.11 20.47 20.81 20.78 20.65 20.89 20.59 Purine riboside 19.68 20.09 19.97 18.17 20.6 18.89 19.16 20.47 20.5 20.78 19.34 20.1 20.9 19.56 20.56 20.75 19.94 19.94 20.02 20.36 Myoinositol-2-phosphate 17.2 17.89 17.9 17.73 17.3 17.98 17.82 17.32 18.57 18.2 16.67 17.53 16.89 17.3 17.33 17.66 17.82 17.34 17.57 17.04 6-Phosphogluconic acid 16.05 15.92 14.81 14.92 17.3 18.96 17.17 13.14 15.97 16.48 16.67 16.89 16.21 17.33 17.66 17.82 17.34 15.97 Arachidic acid 15.23 14.22 13.18 17.07 17.05 15.25 14.92 15.16 15.16 16.6 15.59 16.33 16.98 15.73 16.14 15.79 15.76 16.34 16.01 15.81 Uridine/pseudouridine 20.4 20.78 21.01 21.08 20.26 21.26 21.56 20.62 21.46 20.68 19.02 18.18 18.59 18.92 19.3 19.68 19.75 18.94 18.9 19.24 Neohesperidin or similar flavonone 14.83 13.93 15.8 beta-Monopalmitin 16.34 15.67 16.57 16.2 15.9 16.45 15.74 15.62 16.46 15.14 16.65 15.5 17.17 16.62 16.83 16.84 17.14 16.62 17.2 Docosahexaenoic acid 17.88 19.18 19.17 18.7 19.94 18.56 19.5 19.26 20.06 19.35 18.99 20.3 21.08 20.51 20.64 20.64 20.34 20.5 20.43 20.53 Inosine/Adenosine 23.63 23.43 23.69 23.86 23.42 23.09 23.23 23.43 23.09 23.43 23.07 23.56 23.82 23.37 23.7 23.61 23.69 23.75 23.58 23.71 alpha-Monopalmitin 21.51 21.37 21.51 21.33 21.34 21.53 21.4 21.36 21.39 21.46 21.45 21.27 21.23 21.51 21.35 21.52 21.58 21.66 21.47 21.58 N-Acetylneuraminic acid 13.61 13.72 14.8 16 15.99 14.82 15.24 16.39 16.26 15.18 13.89 15.54 16.91 15.17 16.08 14.4 15.86 18.1 Docosanoic acid 10.93 11.1 12.22 12.27 12.84 11.34 11.26 12.46 Phytosphingosine 13.24 13.52 13.23 15.32 14.36 Xanthosine 18.67 17.16 16.1 19.46 19.29 16.95 17.1 17.5 16.57 18.81 12.86 14.73 14.02 13.82 14.24 14.88 12.56 14.21 beta-Monostearin 17.88 18.93 19.02 19 18.99 18.75 18.89 19.68 19.57 19.07 19.35 Disaccharide 20.88 21.79 21.37 21.64 21.1 22.05 21.52 21.93 22.13 21.47 19.08 16.16 20.7 17.59 18.72 18.43 20.95 18.92 19.63 21.19 Maltose or similar disaccharide 22.63 23.58 23.17 22.74 22.91 23.49 23.53 22.82 24.47 23.9 21.16 19.71 19.33 19.78 21.36 21.82 19.51 18.56 18.84 20.1 alpha-Monostearin 24.08 24.08 24.06 24.01 24.03 23.96 23.97 24.14 23.77 24.05 24.03 24.09 23.94 24.26 24.16 24.31 24.35 24.26 24.29 24.23 Uridine 5'-monophosphate 17.69 19.26 20.42 18.93 18.99 19.09 Squalene 16.38 16.3 16.93 15.72 16.17 16.62 16.02 16.23 17.02 17.7 19.57 20.42 19.71 18.15 17.9 18.99 Tetracosanoic acid 11.64 12.82 14.45 11.7 12.43 13.8 Isomaltose or similar disaccharide 15.09 15.9 15.55 15.15 15.18 16.13 15.83 15.44 17.19 16.13 15.67 16.14 16.32 17.11 16.52 16.54 15.72 16.14 15.21 16.63 Prunetin or similar isoflavone 12.69 12.78 12.41 Flavanoid or short-chain cholesterol ester 13.68 12.55 12.34 13.39 13.28 15.82 13.9 14.83 13.35 15.8 15.57 13.72 Adenosine-5'-monophosphate 12.37 14.48 15.62 13.6 14.93 17.69 16.96 18.23 16.42 16.03 15.94 18.03 17.5 16.69 5-Cholesten-3-beta-7-alpha-diol 16.3 13.97 15.84 13.23 alpha-Tocopherol 17.45 17.46 16.61 17.05 16.06 17.11 17.33 16.64 17.01 17.31 15.99 16.68 17.73 16.32 16.87 17.04 16.07 17.12 16.51 16.58 Cholesterol 24.47 24.74 24.61 24.41 24.5 24.53 24.61 24.57 24.88 24.66 24.3 24.38 24.57 24.83 24.41 24.46 24.52 24.75 24.5 24.93 5-alpha-Coprostanol or similar oxysterol 14.4 15.24 14.61 13.96 15.38 Campesterol 19.1 18.56 18.58 19.7 17.68 19.17 18.67 18.12 19.58 18.87 19.05 19.19 20.03 18.91 19.31 19.46 19.12 20 19.27 19.27 Cholic acid or similar bile acid 16.58 14.97 13.51 18.16 13.49 15.27 15.26 18.54 16.93 12.7 beta-Sitosterol 19.04 18.05 17.73 19.32 17.32 18.6 17.8 17.24 18.88 18.72 18.27 18.27 19.2 18.17 18.49 18.84 18.21 19.02 18.66 18.37 Melezitose 15.37 16.58 17.09 15.63 17.25 17.1 16.25 19.18 19.03 Trisaccharide 24.16 24.73 24.64 24.23 24.26 24.81 24.9 24.14 25.61 25.41 21.14 19.84 18.05 20.62 21.39 22.45 18.72 17.32 18.04 20.87 metabolite_name Unknown-possibly propylene glycol Decamethyltetrasiloxane 2-Hydroxypyridine Pyruvic acid Phenol Lactic acid C10 hydrocarbon Alanine C11 hydrocarbon 2-Hydroxybutyric acid beta-Hydroxybutyric acid 2-Aminobutanoic acid O-Methylphosphate Malonic acid Valine C12 hydrocarbon Urea Benzoic acid Ethanolamine Pipecolic acid Phosphoric acid Glycerol C13 hydrocarbon Isoleucine/Leucine Proline Glycine Succinic acid Glyceric acid MSTFA artifact Uracil Fumaric acid Serine Nonanoic acid Threonine Hydroquinone or Resorcinol 6-Methyluracil Methionine Aspartic acid beta-Alanine Threose/erythrose Aminomalonic acid Aspartic acid ??? Nicotinamide Malic acid C15 hydrocarbon Threitol/erythritol Salicylic acid Glutamic acid Hydroxyprolines Erythronic acid Hexadecamethylheptasiloxane 7H-Purine/Phenylalanine Cysteine/Creatinine Threonic acid 2-Hydroxyglutaric acid 6-Hydroxynicotinic acid Phosphoenolpyruvic acid 2-Hydroxybiphenyl Hypotaurine Phenylalanine 5-Aminovaleric acid N-Acetylaspartic acid trans,trans-Muconic acid Pyrophosphate Taurine Aldopentoses Cysteinesulfinic acid Octadecamethyloctasiloxane 2-Aminoadipic acid N-Methylglutamic acid Pentitols Glycerol 1-phosphate Glutamine 2-Phosphoglyceric acid Pentonic acids N-Acetylglutamic acid O-Phosphocolamine Gentisic acid Hypoxanthine Epinephrine Cysteinylglycine Ornithine 5,6 - Dimethylbenzimidazole deuterated Myristic Acid (RTL std) Dehydroascorbic acid Eicosamethylnonasiloxane Myristic acid or Pentadecanol Methionine sulfoxide 3,5-Dimethoxycinnamic acid Fructose or similar ketohexose Allantoin Glucose and other aldohexoses Histidine Lysine Hexuronic acid Tyrosine Pentadecanoic acid Sedoheptulose or similar sugar Gluconic acid or similar sugar acid Pantothenic acid Xanthine Cytindine-5'-monophosphate Palmitoleic acid 5-Hydroxylysine Palmitic acid Hexosamine Myoinositol Uric acid Ketopentose-5-phosphate Normetanephrine Heptadecanoic acid/Octadecanol N1-Methyltryptamine Glutathione (reduced) C22 hydrocarbon Phytol Spermidine 3-Indolelactic acid/tryptophan Linoleic acid Oleic acid Stearic acid Cystine Glucose-6-phosphate or similar 2-Aminoethanethiol/Glycylphenylalanine 1-Eicosanol Arachidonic acid (also Eicosapentaenoic acid) Purine riboside Myoinositol-2-phosphate 6-Phosphogluconic acid Arachidic acid Uridine/pseudouridine Neohesperidin or similar flavonone beta-Monopalmitin Docosahexaenoic acid Inosine/Adenosine alpha-Monopalmitin N-Acetylneuraminic acid Docosanoic acid Phytosphingosine Xanthosine beta-Monostearin Disaccharide Maltose or similar disaccharide alpha-Monostearin Uridine 5'-monophosphate Squalene Tetracosanoic acid Isomaltose or similar disaccharide Prunetin or similar isoflavone Flavanoid or short-chain cholesterol ester Adenosine-5'-monophosphate 5-Cholesten-3-beta-7-alpha-diol alpha-Tocopherol Cholesterol 5-alpha-Coprostanol or similar oxysterol Campesterol Cholic acid or similar bile acid beta-Sitosterol Melezitose Trisaccharide