metabolite_name 3RT33 3RT32 SD2 SD1 2RT32 2RT33 3RT30 SD4 15 10 33 32 44 23 22 18 Unknown-possibly propylene glycol 17.72 17.76 18.17 18.03 18.07 18.03 18.56 18.26 23.69 22.6 24 23.18 23.21 22.36 23.43 22.05 Glyoxylic acid 12.22 12 12.33 C10 hydrocarbon 14.69 14.84 13.71 13.26 14.37 13.59 13.93 13.86 13.51 14.59 13.22 14.25 14.66 13.91 14.45 13.47 Decamethyltetrasiloxane 11.69 11.12 12.03 13.23 13.21 13.12 12.87 12.07 13.21 12.97 13.08 2-Hydroxypyridine 15.14 15.04 15.35 15.3 15.64 15.06 16.16 15.71 15.38 15.12 15.59 15.84 15.53 15.81 15.49 15.83 Pyruvic acid 13.22 13.35 12.84 13.46 14.24 13.93 13.4 13.91 14.36 15.09 14.97 13.94 14.25 Phenol 20.21 20.95 22.28 19.81 20.21 20.68 19.38 19.47 18.95 18.91 17.75 16.8 17.93 16.72 17.18 16.13 Lactic acid 24.34 24.12 25.25 24.29 24.41 24.13 24.85 24.76 25.24 24.45 24.68 24.48 24.81 24.86 24.59 24.66 Hexanoic acid 13.63 12.56 11.63 11.71 14.18 13.82 Alanine 20 19.86 20.28 19.77 19.48 19.51 20.43 19.92 20.15 19.18 19.64 19.34 19.52 19.16 19.87 19.18 C11 hydrocarbon 15.11 14.84 13.91 14.44 14.75 14.08 14.51 14.73 13.69 14.59 14.79 14.71 14.14 14.96 14.19 beta-Hydroxybutyric acid 18.43 18.42 17.76 17.02 17.65 16.74 18.85 17.42 19.78 21.27 22.19 20.98 21.15 21.88 22.36 22.01 Dodecamethylpentasiloxane 15.49 15.98 16.2 15.27 15.8 15.54 16.16 14.96 16.34 17.88 16.13 16.38 17.08 16.19 17.85 16.15 O-Methylphosphate 15.66 15.83 17.24 16.82 17.51 17.96 18.07 18.31 16.76 17.61 17.69 17.92 18.25 18.01 18.72 18.39 Malonic acid 14.85 15.27 16.61 15.78 16.3 15.81 16.87 16.76 16.4 16.29 16.51 16.82 16.89 16.63 16.69 16.24 C12 hydrocarbon 13.38 13.28 13.92 13.55 12.8 13.19 12.77 13.98 Valine 17.72 17.06 17.38 16.73 17.03 16.96 17.65 16.26 17.62 17.73 18.2 18.13 18.06 18.37 18.18 18.5 gamma-Hydroxybutyric acid 14.83 15.35 15.9 15.55 14.56 16.66 16.52 15.82 16.88 15.1 15.88 16.25 Urea 21.92 21.67 22.52 22 21.81 22.07 22.19 21.98 23.89 23.22 23.28 24.03 24.38 23.83 24.16 22.89 Benzoic acid 16.93 16.75 16.28 16.23 16.25 16.44 16.46 16.18 16.45 16.39 16.11 16.32 16.07 16.24 16.46 16.56 Ethanolamine 20.07 16.13 15.84 16.01 15.52 16.29 17.86 15.09 15.59 14.42 15.13 15.9 Phosphoric acid 24.71 25.46 25.75 25.3 25.46 25.24 26.1 25.56 24.91 25.02 24.94 25.35 25.27 25.45 25.22 24.78 Glycerol 22.73 22.17 22.81 21.58 20.65 21.47 21.13 20.08 20.59 20.07 20.37 20.8 21.11 20.42 21.3 20.04 C13 hydrocarbon 16.02 15.98 15.92 15.41 15.77 15.55 15.74 16.02 15.46 15.98 15.28 15.94 15.87 15.6 15.91 15.59 Isoleucine/Leucine 17.38 17.13 17.3 16.43 16.36 16.37 16.67 16.21 17.25 16.14 16.88 17.55 17.32 17.35 17.45 17.61 Proline 15.83 15.07 14.72 13.95 13.88 13.31 14.16 12.73 14.24 13.31 14.22 14.69 13.98 13.65 13.91 12.76 Glycine 20.29 20.06 19.9 19.61 19.69 19.52 19.74 18.91 18.58 17.91 18.94 19.72 18.32 18.13 19.57 18.7 Succinic acid 15.5 16.41 17.08 15.92 16.22 14.13 16.43 16.99 Glyceric acid 13.99 15.21 13.72 MSTFA artifact 16.49 15.33 16.46 16.36 16.5 15.82 17.41 17.2 15.84 16.4 16.23 17.31 17.26 17.35 17.1 17.8 Uracil 17.53 17.46 17.37 17.29 17.49 17.6 17.67 16.51 16.7 16.05 16.97 17.95 16.64 16.55 17.23 16.73 Fumaric acid 16.73 18.36 18.29 17.87 17.98 17.96 18.32 18.52 18.57 18.62 18.37 18.66 19.19 18.43 18.85 18.61 Serine 19.27 19.49 19.45 18.65 18.85 18.75 19.27 17.42 17.32 15.98 16.84 18.11 16.03 16.12 17.59 15.85 6-Methyluracil 13.99 13.52 Threonine 19 18.85 19.27 18.54 18.73 18.95 19.34 17.99 18.12 17.82 17.69 18.7 17.91 17.98 18.69 17.94 Hydroquinone 12.76 12.97 Tris 15.42 15.23 17.82 15.43 15.51 15.52 15.8 16.17 Thymine 12.12 11.74 12.47 13.06 12.44 Aspartic acid 14.97 18.33 17.58 18.7 18.67 18.55 19.42 18.45 18.44 18.31 18 19.01 18.02 19.62 18.25 18.91 beta-Alanine or 3-Aminoisobutyric acid 13.39 13.91 13.46 12.93 12.8 13.31 12.94 13.25 11.22 11.58 Aminomalonic acid 13.06 12.54 13.23 11.88 13.41 14.02 12.97 Nicotinamide 19.46 19.11 19.83 19.45 19.47 19.24 19.91 19.52 18.72 18.8 18.44 19.88 19.8 20.02 19.9 19.59 Malic acid 19.67 21.11 21.25 20.69 20.49 20.47 21.12 21.09 21.73 21.68 21.03 21.39 21.27 20.53 21.46 20.8 C15 hydrocarbon 15.87 15.75 15.82 15.47 15.2 15.51 15.6 15.93 15.45 15.86 15.41 15.69 15.75 15.53 15.94 15.84 Threitol/erythritol 14.21 14.03 13.48 14.19 Methionine 16.25 16.2 16.2 Glutamic acid 21.72 22.27 23.04 23.02 23.11 23.13 23.72 23.35 22.98 23.71 22.75 23.36 23.8 24.51 23.75 24 Hydroxyprolines 14.4 15.42 14.49 14.9 14.74 Glutamine 16.65 17.25 16.68 15.98 15.57 17.12 15.59 16.27 16.59 7H-Purine/Phenylalanine 13.53 14.49 15.46 14.91 14.14 Creatinine 21.8 21.22 21.52 21.63 21.35 20.96 21.97 21.53 20.93 21.24 20.67 21.98 21.02 21.69 21.11 21.57 Erythronic acid/Threonic acid 13.28 13.41 6-Hydroxynicotinic acid 14.35 12.86 13.79 13.74 13.51 14.07 12.96 13.39 13.5 14.64 13.9 14.57 13.35 13.18 1-Dodecanol 12.78 12.39 13.64 13 11.98 Phosphoenolpyruvic acid 16.61 17.52 16.17 18.06 18.12 18.44 18 16.38 17.12 16.06 18.17 18.34 17.54 16.41 18.65 17.48 2-Hydroxybiphenyl 19.24 18.94 19.34 19.49 19.31 17.86 19.71 19.24 19.88 16.36 19.76 19.51 19.65 19.53 18.79 Hypotaurine 19.76 19.51 20.31 20.01 19.71 20.28 19.98 19.65 18.5 18.88 19.17 19.48 18.72 19.65 19.42 18.7 Phenylalanine 18.35 18.61 18.58 18.11 18.12 18.13 18.55 17.37 16.99 16.55 17.06 17.93 17.28 17.09 17.77 17.11 5-Aminovaleric acid 13.4 13.57 14 14.07 13.17 14.29 N-Acetylaspartic acid 14.69 15.31 trans,trans-Muconic acid 15.32 13.54 15.97 15.38 16.05 14.66 14.56 14.34 14.56 14.25 15.01 13.77 14.39 Pyrophosphate 15.38 15.88 14.86 14.14 14.81 16.24 13.59 15.98 14.63 14.09 14.12 14.03 15.82 Taurine 20.54 22.17 22.91 23.26 22.75 22.91 23.48 22.06 23.64 22.87 23.76 23.54 22.28 23.1 23.97 Aldopentoses 20.24 19.15 18.83 20.06 19.76 19.83 19.81 18.17 18.38 17.06 19.11 19.8 18.15 18.26 19.4 18.41 C17 hydrocarbon 13.62 13.23 13.22 13.19 13.74 14.26 14.17 13.59 13.43 13.49 13.87 13.76 14.4 Pentitols 17.04 15.65 15.5 17.34 17.28 17.05 17.36 15.12 16.15 15.58 16.82 17.23 16.43 16.3 17.05 16.69 2-Aminoadipic acid 18.43 19.36 19.47 19.12 19.34 19.4 19.35 19.55 19.35 19.7 19.16 19.19 19.3 19.6 19.84 19.71 Dihydroxyacetone phosphate 13.8 13.24 13.52 12.92 13.13 13.36 Glycerol 1-phosphate 19.09 20.02 17.69 20.71 20.83 21.57 21.95 21.49 21.85 22.56 21.53 23.52 22.84 22.53 22.51 22.22 2-Phosphoglyceric acid 14.98 15.1 14.86 15.28 14.79 12.33 15.43 14.15 16.19 15.81 13.03 13.29 15.34 14.59 O-Phosphocolamine 19.07 19.55 19.79 19.76 19.68 19.54 19.77 19.5 19.69 19.69 19.68 20.36 19.89 19.93 19.91 19.18 Gentisic acid 12.61 13.1 13.26 14.08 13.59 13.46 12.66 13.76 12.06 Hypoxanthine 20.3 20.55 20.41 20.36 20.28 20.59 20.72 19.63 19.5 18.82 19.67 19.96 18.99 19.14 19.63 19.05 Citric acid/isocitric acid 17.11 17.69 18.24 15.93 15.11 16.39 15.27 15.16 15.64 15.06 15.12 14.94 15.8 15.33 16.09 16.47 deuterated Myristic Acid (RTL std) 21.84 22.22 22.26 22.11 21.95 22 22.18 22.26 22 22.02 21.69 22.11 22.08 22.24 22.19 22.25 Dehydroascorbic acid 17.48 18.31 18.47 17.91 18.59 18.26 18.48 18.26 17.5 16.73 16.98 18.35 17.44 17.32 17.66 17.98 Myristic acid or Pentadecanol 18.16 17.84 18.25 18.2 17.8 18.51 18.28 18.47 17.97 18.07 17.71 18.05 18.13 18.37 18.24 17.68 Lysine 17.38 19.13 18.7 17.81 18.27 16.63 18.93 17.86 15.02 14.1 15.87 17.36 15.66 13.62 17.17 16.32 Fructose or similar ketohexose 18.4 17.3 18.4 18.28 17.75 17.16 17.76 17.88 20.66 22.92 22.33 19.22 23.55 23.25 23.81 23.12 Tyrosine 16.34 16.73 16.27 16.67 16.97 17.12 15.48 16.76 15.7 15.57 15 15.05 15.65 14.96 Glucose and other aldohexoses 24.38 24.66 24.84 24.26 24.63 24.85 24.43 24.34 26.18 25.05 25.81 25.88 26.21 25.77 25.74 25.66 Tyramine 14.62 12.33 C19 hydrocarbon 14.81 14.61 14.63 14.46 14.39 14.58 14.33 15.39 14.49 15.03 Hexitols 17.25 17.81 18.21 16.74 15.57 15.57 17.93 16.69 19.92 22.03 21.33 18.44 22.17 22.29 22.73 21.85 Hexadecanol/Pentadecanoic acid 15.49 15.48 15.96 15.42 15.21 15.39 15.61 15.09 14.94 15.06 14.46 14.72 14.37 15.13 15.23 14.56 Pantothenic acid 16.33 16.03 17.64 16.9 16.56 16.53 17.53 16.67 16.34 15.11 15.47 16.93 14.72 15.93 14.92 14.85 Xanthine 17.88 18.06 18.33 17.71 16.17 16.5 16.5 15.47 15.41 15.78 12.54 Aldohexoses (unoximated) 16.99 17.33 18.06 17.18 17.79 17.99 17.39 17.29 19.37 18.2 19.05 18.78 19.68 19.17 19.06 18.62 Palmitoleic acid 15.23 16.22 15.59 17.08 16.59 14.37 Palmitic acid 23.03 23.01 23.41 23.1 23.07 22.94 23.17 22.79 23.18 22.79 22.84 23.29 22.96 23.05 23.03 22.49 Myoinositol 20.71 21.23 21.32 20.75 20.81 21.24 21.45 20.61 21.51 21.08 21.73 21.93 21.48 21.75 21.41 21.23 Aldopentose-5-phosphate 17.19 17.99 18.01 18.68 18.44 18.84 18.81 17.32 18.18 17.52 18.85 18.5 18.08 18.04 18.53 17.62 Ketopentose-5-phosphate 18.89 19.8 19.65 20.46 20.26 20.46 20.47 18.98 19.54 18.97 20.18 20.34 19.58 19.85 20.14 19.19 Hexosamine 15.29 15.53 15.73 15.47 15.54 15.84 15.69 14.09 16.9 16.47 15.87 16.29 16.81 15.77 16.23 15.78 Heptadecanoic acid/Octadecanol 18.51 18.27 18.6 18.14 18.15 18.05 18.53 17.92 18.97 18.47 18.24 18.53 18.39 18.39 18.44 17.67 Tetradecanedioic acid 14.89 14.43 12.01 16.29 15.82 15.28 15.36 Glutathione (reduced) 14.18 15.57 15.4 15.78 15.91 16.6 14.14 16.22 11.44 15.32 13.51 16.2 16.76 15.83 14.49 C22 hydrocarbon 13.8 14.39 14.67 Linoleic acid 21.96 21.3 22.35 22.54 21.65 22.25 21.9 21.34 22.34 22.75 22.86 22.58 22.38 22.56 22.81 21.9 Tryptophan 15.57 15.53 Oleic acid 21.22 21.08 21.57 21.35 21.1 21.74 21.46 20.79 21.15 21.61 21.91 21.57 21.11 21.71 21.78 20.81 Stearic acid 24.06 24 24.39 24.11 24.15 24.04 24.32 24.16 24.49 24.21 24.19 24.18 24.15 24.26 24.23 23.76 Fructose-6-phosphate 21.41 16.74 19.99 21.87 21.6 21.22 20.16 20.98 22.9 21.56 21.46 21.65 21.29 21.43 23.19 22.54 Glucose-6-phosphate or similar 20.22 16.31 18.81 20.41 21.01 19.99 19.44 20.31 21.65 21.13 21.22 21.19 20.9 20.89 22.11 21.44 Nonadecanoic acid 17.14 15.04 16.56 16.25 16.37 16.34 16.14 Arachidonic acid (also Eicosapentaenoic acid) 22.6 22.59 22.37 22 21.89 21.96 22.04 21.46 22.51 21.82 20.6 21.32 20.74 21.1 20.63 20.33 Myoinositol-2-phosphate 15.43 15.77 17.2 16.61 16.72 16.8 17.23 16.83 17.04 17.24 17.1 17 16.78 17.16 15.97 Gluconic acid-6-phosphate 13.13 13.29 16.61 15.46 16.62 14.27 16.83 15.78 14.31 15.7 16.11 17.16 14.8 13.3 Arachidic acid 17.88 16.7 16.55 16.41 15.91 15.85 16.21 16 17 16.2 16.43 16.51 16.51 16.66 16.57 15.67 Uridine/pseudouridine 15.28 14.55 16.01 16.66 17.01 16.07 17.35 16.64 16.5 16.3 16.76 17.8 16.35 16.94 17.13 16.9 O-Benzyltyrosine 14.4 15.07 14.97 15.04 14.54 14.56 14.95 14.94 14.69 15 15.09 15.19 15.08 beta-Monopalmitin 17.52 17.52 17.69 17.05 16.78 17.09 17.36 17.25 17.86 17.24 16.5 16.91 16.71 17.11 16.84 16.07 Docosahexaenoic acid 21.36 21.13 21.77 20.71 20.79 20.61 20.89 19.96 21.28 20.72 19.87 20.74 20.1 20.07 20.03 19.07 Inosine/Adenosine 24.36 23.77 24.57 24.51 24.7 24.47 24.93 24.51 24.44 24.1 24.3 24.8 24.38 24.2 24.87 24.2 alpha-Monopalmitin 21.59 21.63 21.6 21.36 21.47 21.51 21.6 21.79 21.48 21.56 21.47 21.52 21.48 21.43 21.78 21.11 N-Acetylneuraminic acid 16.73 16.57 16.44 17 16.56 16.75 17.44 16.23 17.6 15.95 15.58 18.45 16.29 15.89 16.26 13.65 Sucrose and similar disaccharides 14.87 16.54 15.58 15.24 15.05 15.69 15.75 15.7 15.56 15.86 14.95 Docosanoic acid 12.67 12.67 11.95 12.66 12.2 11.78 Fructose 1,6-bisphosphate 16.35 15.23 16.01 beta-Monostearin 19.34 19.41 19.36 19.05 19.1 18.86 19.49 19.53 19.37 19.33 19.13 19.22 19.22 19.25 19.62 18.65 Guanosine 14.64 15.16 15.52 Maltose or similar disaccharide 20.2 19.03 18.72 20.05 20.57 20.56 18.34 18.12 18.73 17.98 19.02 17.78 18.74 18.89 18.69 17.85 alpha-Monostearin 24.28 24.47 24.31 24.1 24.26 24.33 24.25 24.54 24.12 24.38 24.13 24.24 24.23 24.31 24.66 23.9 Squalene 15.99 15.52 16.98 16.7 16.15 16.13 17.08 16.46 16.19 15.6 16.17 16.99 17.31 16.48 17.16 16.47 Prunetin or similar isoflavone 11.68 12.45 12.21 13.09 12.44 13.35 12.29 Inosine 5'-monophosphate 13.8 19.21 15.79 17.76 19.68 Adenosine-5'-monophosphate 14.94 15.36 15.38 15.94 16.62 18.18 18.26 15.92 16.29 17.96 18.77 15.6 16.04 5-Cholesten-3-beta-7-alpha-diol 12.98 13.67 13.58 14.02 13.6 12.72 12.2 alpha-Tocopherol 15.02 16.13 17.09 16.43 16.06 16.73 16.62 16.4 16.9 17.07 16.75 16.48 16.48 16.85 16.77 16.32 Cholesterol 23.53 23.84 23.98 23.73 23.81 23.82 24.13 23.63 24.06 23.89 23.99 23.95 23.91 23.89 24.08 23.7 Campesterol 17.25 17.7 18.04 18.15 17.48 17.69 17.9 17.59 18.01 18.44 18.66 18.68 18.83 18.84 18.99 18.11 Chenodeoxycholic acid 18.09 18.05 19.15 16.2 15.88 18.6 16.68 16.18 beta-Sitosterol 16.68 16.67 17.06 17.33 16.73 17.06 16.5 16.98 17.36 17.44 17.61 17.48 17.81 17.64 18.21 15.44 Trisaccharide 20.92 17.11 17.22 20.53 20.42 20.54 11.09 19.17 19.93 18.83 19.58 19.11 19.41 20.69 19.86 19.35 metabolite_name Unknown-possibly propylene glycol Glyoxylic acid C10 hydrocarbon Decamethyltetrasiloxane 2-Hydroxypyridine Pyruvic acid Phenol Lactic acid Hexanoic acid Alanine C11 hydrocarbon beta-Hydroxybutyric acid Dodecamethylpentasiloxane O-Methylphosphate Malonic acid C12 hydrocarbon Valine gamma-Hydroxybutyric acid Urea Benzoic acid Ethanolamine Phosphoric acid Glycerol C13 hydrocarbon Isoleucine/Leucine Proline Glycine Succinic acid Glyceric acid MSTFA artifact Uracil Fumaric acid Serine 6-Methyluracil Threonine Hydroquinone Tris Thymine Aspartic acid beta-Alanine or 3-Aminoisobutyric acid Aminomalonic acid Nicotinamide Malic acid C15 hydrocarbon Threitol/erythritol Methionine Glutamic acid Hydroxyprolines Glutamine 7H-Purine/Phenylalanine Creatinine Erythronic acid/Threonic acid 6-Hydroxynicotinic acid 1-Dodecanol Phosphoenolpyruvic acid 2-Hydroxybiphenyl Hypotaurine Phenylalanine 5-Aminovaleric acid N-Acetylaspartic acid trans,trans-Muconic acid Pyrophosphate Taurine Aldopentoses C17 hydrocarbon Pentitols 2-Aminoadipic acid Dihydroxyacetone phosphate Glycerol 1-phosphate 2-Phosphoglyceric acid O-Phosphocolamine Gentisic acid Hypoxanthine Citric acid/isocitric acid deuterated Myristic Acid (RTL std) Dehydroascorbic acid Myristic acid or Pentadecanol Lysine Fructose or similar ketohexose Tyrosine Glucose and other aldohexoses Tyramine C19 hydrocarbon Hexitols Hexadecanol/Pentadecanoic acid Pantothenic acid Xanthine Aldohexoses (unoximated) Palmitoleic acid Palmitic acid Myoinositol Aldopentose-5-phosphate Ketopentose-5-phosphate Hexosamine Heptadecanoic acid/Octadecanol Tetradecanedioic acid Glutathione (reduced) C22 hydrocarbon Linoleic acid Tryptophan Oleic acid Stearic acid Fructose-6-phosphate Glucose-6-phosphate or similar Nonadecanoic acid Arachidonic acid (also Eicosapentaenoic acid) Myoinositol-2-phosphate Gluconic acid-6-phosphate Arachidic acid Uridine/pseudouridine O-Benzyltyrosine beta-Monopalmitin Docosahexaenoic acid Inosine/Adenosine alpha-Monopalmitin N-Acetylneuraminic acid Sucrose and similar disaccharides Docosanoic acid Fructose 1,6-bisphosphate beta-Monostearin Guanosine Maltose or similar disaccharide alpha-Monostearin Squalene Prunetin or similar isoflavone Inosine 5'-monophosphate Adenosine-5'-monophosphate 5-Cholesten-3-beta-7-alpha-diol alpha-Tocopherol Cholesterol Campesterol Chenodeoxycholic acid beta-Sitosterol Trisaccharide