metabolite_name PBS Ctl 1 PBS Ctl 2 PBS Ctl 3 PBS Ctl 4 PBS Ctl 5 PBS Ctl 6 PBS Ctl 7 PBS Ctl 8 PBS Ctl 9 PBS Ctl 10 30mg/kg Sor 1 30mg/kg Sor 2 30mg/kg Sor 3 30mg/kg Sor 4 30mg/kg Sor 5 30mg/kg Sor 6 30mg/kg Sor 7 30mg/kg Sor 8 30mg/kg Sor 9 30mg/kg Sor 10 2-Hydroxypyridine 19.33 17.93 19.22 17.99 18.31 18.49 19.23 19.32 19.07 18.1 18.32 17.8 17.38 18.29 18.67 18.58 19.25 3-Aminoisobutyric acid/beta-Alanine 21.35 19.03 18.75 21.3 20.17 21.47 19.1 19.35 21.36 22.18 21.13 19.56 18.41 22.4 22.43 19.4 19.82 3-Phosphoglyceric acid 18.84 16.87 18.4 18.2 18.32 18.34 19.1 18.39 18.64 17.74 18.41 18.67 18.86 18.27 16.4 18.69 18.19 18.06 17.47 5'-Deoxy-5'-(methylthio) adenosine 17.01 15.19 17.32 17.42 16.7 16.82 18.36 17.98 17.9 16.25 16.1 17.39 16.74 15.76 18.08 16.85 16.52 13.14 6-Hydroxynicotinic acid 19.5 17.87 18.9 19.57 20.31 20.14 19.89 19.75 19.97 18.32 18.53 18.9 19.32 20.09 19.65 19.84 20.22 19.46 17.55 Acetoacetate/2-Aminoisobutanoic acid 22.75 20.93 20.1 20.5 22.63 22.53 22.95 22.03 21.75 22.37 22.4 21.67 19.57 19.06 23.42 22.95 21.89 21.54 Adenine 18.89 16.36 20.19 19.95 18.61 18.08 18.68 18 19.39 18.11 17.81 17.46 16.87 17.19 17.3 16.94 16.44 Alanine 16.2 16.54 16.7 19.65 15.94 16.07 19.42 19.13 15.98 15.89 18.05 17.26 19.74 17.62 19.17 15.55 Aldopentoses 18.96 18.06 19.3 19.14 19.61 19.02 19.73 18.14 19 18.27 18.16 18.73 19 19.4 19.69 19.41 19.5 18.71 17.23 alpha Ketoglutaric acid 15.27 17.06 17.41 17.03 16.98 15.75 17.17 18.43 17.8 16.98 17.4 17.42 18.02 15.77 alpha-Monopalmitin 18.48 18.79 19.42 18.88 18.31 19.28 21.03 21.76 17.89 18.98 17.21 16.59 18.91 19.49 21.49 19.8 alpha-Monostearin 23.27 21.59 23.6 21.51 21.27 23 23.98 24.24 24.03 22.57 22.61 21.6 18.99 17.79 20.02 24.06 23.43 23.14 16.17 alpha-Tocopherol 22.66 21.72 20.86 22.84 23.47 22.94 22.95 21.09 22.81 22.62 20.88 20.34 23.32 21.99 22.09 21.11 22.38 24.47 20.08 Aminomalonic acid 24.32 21.52 23.39 23.56 23.31 24.36 23.84 23.88 23.78 23.5 23.38 22.91 23.54 23.26 21.96 23.33 22.34 22.07 22.42 Arachidonic acid (also Eicosapentaenoic acid) 24.06 21.91 23.51 23.26 23.72 24.04 23.97 23.54 23.68 23.5 23.99 23.84 23.15 22.83 21.25 23.97 23.28 23.22 20.81 Ascorbic acid/Isoascorbic acid 22.23 21.77 22.76 22.79 23.06 22.66 22.93 21.54 22.52 21.64 22.15 22.53 22.67 22.81 22.79 22.49 22.58 22.41 20.54 Aspartic acid 18.37 17.08 18.62 18.71 17.48 17.53 18.3 17.28 18.91 18.94 19.28 19.61 18.92 18.54 17.88 18.71 18.22 18.06 17.27 Benzoic acid 17.39 15.37 13.97 17.84 16.86 16.76 16.48 15.75 17.44 17.41 16.57 16.65 17.75 16.68 16.27 14.93 beta-Monopalmitin 21.57 21.38 21.53 21.94 22.26 21.71 22.21 20.94 21.65 21.04 21.13 20.76 21.86 21.24 22.12 21.28 21.77 22.97 19.79 beta-Monostearin 22.69 21.93 22.36 22.9 22.89 22.89 21.98 21.98 21.72 22.55 22.84 21.18 22.48 22.59 23.21 22.75 21.85 22.32 22.4 21 beta-Sitosterol 23.24 21.91 23.56 23.31 22.55 23.35 23.72 23.18 23.49 23.52 24.18 24.31 23.93 23.19 22.46 23.89 23.72 22.87 21.58 C13 hydrocarbon 22.52 22.1 22.21 23.25 23.56 23.32 22.36 22.99 22.59 22.22 23.97 22.26 23.16 23.21 23.19 23.16 23.28 22.68 24.66 C14 Hydrocarbon 19.89 19.02 19.42 18.93 20.07 19.74 19.23 19.22 19.79 20.57 20.46 19.62 19.76 19.69 19.97 19.24 19.39 18.5 C15 hydrocarbon 22.41 20.01 21.26 21.18 21.04 21.98 21.67 22.62 21.06 22.22 21.26 21.21 21.08 20.86 21.47 21.37 21.59 21.42 C16 Hydrocarbon 20.84 20.24 21.18 21.65 20.98 19.98 20.79 18.93 20.7 19.6 19 17.27 20.09 20.61 20.66 18.6 C18 Hydrocarbon 21.02 23.24 21.87 21.69 22.62 20.9 21.44 20.66 21.82 20.86 20.83 22.05 21.14 21.71 20.88 20.93 20.18 C19 hydrocarbon 17.98 15.56 17.01 17.27 16.3 16.94 17.87 17.8 17.84 16.35 15.88 17.71 18 16.95 17.62 17.91 17.33 17.06 C20 Hydrocarbon 21.31 18.85 20.1 19.84 20.21 21.36 21.66 20.81 21.11 21.69 21.1 21.1 20.67 20.3 21.13 20.87 19.96 20.63 17.89 Campesterol 26.08 25.37 25.28 25.98 26.29 26.1 26.02 25.47 25.96 26.21 25.47 24.97 25.88 25.56 25.76 25.71 25.95 26.46 24.43 Carnitine 19.48 18.69 19.13 18.68 19.01 19.04 19.44 18.84 19.04 18.15 19.61 18.75 18.95 18.78 17.95 19.32 18.71 18.57 16.31 Carnosine 21.73 20.44 21.48 21.61 21.41 21.44 21.33 21.56 21.55 20.78 21.41 21.16 21.36 21.71 19.92 21.93 21.46 21.01 18.22 Creatinine 23.02 18.71 21.71 22.12 21.62 22.78 22.11 23.29 21.91 21.33 22.66 22.48 22.86 22.35 19.86 23.62 23.76 22.73 21.47 deuterated Myristic Acid (RTL std) 17.8 16.66 17.39 18.1 17.16 17.84 16.94 17.89 16.87 16.77 16.07 18.42 16.25 16.64 16.85 15.69 16.86 17.22 16.32 16.67 Dihydroxyacetone phosphate 21.62 20.78 22.15 21.99 22.13 21.94 21.73 20.57 21.82 20.96 21.14 21.91 21.9 21.99 21.81 21.72 21.77 21 19.48 Disaccharide 24.48 22.63 24.94 22.82 23.23 24.67 24.93 25.31 25.06 24.34 24.72 22.88 20.52 19.81 21.39 25.25 24.43 24.12 20.73 Erythritol/Theitol 20.61 18.44 20.71 20.57 20.38 20.8 20.42 20.27 20.65 19.84 20.51 20.96 20.91 20.51 19.15 20.21 20.38 20.41 17.96 Ethanolamine 17.42 17.69 17.73 18.33 18.19 17.39 18.33 17.66 17.95 19.05 18.04 17.64 17.7 19.59 17.03 17.27 17.33 18.63 15.5 Fructose or similar ketohexose 22.48 18.88 20.34 20.59 22.06 21.03 21.29 20.48 21.45 21.5 20.28 20.19 21.84 20.55 17.41 21.4 20.16 20.31 16.12 Fumaric acid 17.55 19.86 19.02 18.77 18.27 19.88 19.33 19.28 20.22 18.42 18.97 19.58 17.81 19.35 18.02 18.23 gamma-Hydroxybutyric acid 25.3 24.69 24.14 25.65 26.04 25.84 24.44 23.49 24.52 24.44 23.78 22.98 25.05 26.05 24.36 24.11 23.4 25.19 22.99 Glucose and other aldohexoses 19.16 16.35 16.86 17.97 19.2 18.92 17.64 17.46 17.76 17.4 18.23 17.63 17.59 18.63 18.64 17.67 18.58 18.22 Glutamine 16.25 16.4 15.58 14.79 15.89 16.77 16.24 15.93 16.07 17.89 16.84 15.83 14.76 16.96 16.41 16.09 16.72 Glycerol 16.18 15.29 16.84 17.22 17.4 16.35 16.31 15.94 16.75 17.15 17.67 17.15 15.62 16.31 15.37 16.7 16.25 Glycine 24.89 24 25.78 26.27 24.11 24.82 25.38 25.23 25.93 23.32 25.56 24.87 24.86 25.7 26.29 24.45 23.95 24.66 26.09 Heptadecanoic acid/Octadecanol 18.35 18.23 17.93 17.66 17.9 17.98 18.28 18.64 17.74 19.68 19.15 17.14 17.94 16.74 17.6 17.64 18.15 16.13 Hexanoic acid (and/or Glycolic acid) 23.91 22.71 23.23 24.43 24.57 24.06 24.09 23.88 24.25 23.4 23 23.32 23.81 24.53 23.93 23.9 24.37 24.17 22.86 Hexitols 21.98 18.72 20.47 21.39 21.02 22.3 20.94 21.85 21.31 20.77 21.83 21.58 22.05 21.37 19.69 22.35 22.25 21.27 19.37 Hydroxyprolines 23.04 20.76 22.89 22.28 22.24 22.46 20.78 21.59 21.3 22.08 21.02 22.14 22.85 22.09 20.3 22.41 21.87 21.95 19.66 Hypoxanthine 22.64 20.84 22.97 22.98 22.48 22.68 22.72 22.45 22.76 21.86 22.7 22.51 23 22.57 21.06 21.95 22.8 22.39 18.45 Inosine/Adenosine 21.63 20.67 20.79 20.83 20.96 20.59 22.18 21.14 22.06 19.99 19.94 20.59 20.43 20.63 20.44 21.81 21.68 20.88 17.11 Isoleucine/Leucine 23.6 20.27 21.73 20.9 21.28 24.11 23.31 23.68 23.21 20.3 22.7 23.19 23.52 22.08 21.27 24.29 23.71 21.62 21.13 Lauric acid 14.06 15.75 15.04 15.28 15.34 16.35 16.16 15.48 15.07 15.15 15.76 14.72 14.11 16.84 15.79 14.92 Linoleic acid 17.24 16.25 15.97 17.09 16.32 16.97 17.6 17.21 17.35 15.51 15.5 15.54 16.17 16.71 15.95 17.76 17.19 17.29 16.78 Lysine 20.76 17.14 19.65 20.14 19.91 20.48 20.05 20.39 20.05 19.78 20.56 20.86 20.42 19.99 18.35 20.93 20.87 20.09 17.44 Malic acid 21.15 19.18 21.13 20.52 21.18 20.63 22.34 21.66 22.17 20.5 19.57 19.12 19.51 18.2 18.89 21.52 21.05 19.1 Malonic acid 21.62 19.48 20.78 21.61 19.92 21.96 20.94 21.73 21.26 19 21.36 21.52 22.15 21.85 20.43 22.49 22.28 20.79 20.73 Methionine sulfoxide 18.17 17.09 18.38 18.29 18.71 17.69 18.18 16.55 17.27 17.35 17.11 18.05 18.24 17.52 Myoinositol 22.51 21.99 19.9 22.16 22.27 22.56 22.2 22.09 22.28 22.43 21.89 21.84 22.44 22.46 22.28 22.48 22.06 21.81 22.13 20.68 Myoinositol-2-phosphate 24.06 21.43 21.33 21.55 24.04 22.32 22.82 22.41 21.89 21.62 19.73 21.25 22.55 22.14 22.55 20.81 Myristic acid or Pentadecanol 17.72 17.13 18 19.33 19.36 18.8 19.03 18.87 16.45 17.17 17.4 19.23 19.9 18.78 18.95 18.92 16.99 N-Methylalanine/2-Aminobutanoic acid/N-Ethylglycine 19.26 18.91 20.08 18.98 18.56 19.54 18.92 18.13 19.16 19.12 19.62 17.86 18.86 19.12 17.48 18.95 16.8 18.03 16.26 Nonanoic acid 26.19 25.38 25.49 25.91 26.12 26.21 25.35 25.8 25.97 25.94 25.88 25.64 26.18 25.7 25.21 25.2 26.1 26.14 24.96 O-Methylphosphate 18.24 19.01 16.77 20.09 21.15 18.99 18.3 17.71 18.43 18.76 17.5 19.04 20.87 18.64 17.91 18.97 17.86 O-Phosphocolamine 19.91 15.85 18.65 18.38 17.89 19.86 19.07 19.97 18.94 18.48 19.21 19.81 19.79 18.77 16.24 20.73 20.48 18.93 Palmitic acid 23.06 20.74 21.51 22.54 22.58 21.78 22.13 19.6 22.34 21.49 21.68 22.12 22.14 20.85 19.7 20.17 19.23 22.22 20.23 Pantothenic acid 17.63 17.11 17.29 17.53 17.72 17.66 17.03 17.16 17.2 17.15 18.19 17.48 17.51 17.62 17.67 17.16 17.33 16.91 16.46 Pentitols 22.77 20.12 21.82 22.11 22.2 22.16 22.29 21.62 22.08 22.13 21.34 21.99 22.83 21.79 20.09 22.65 21.94 21.86 18.54 Phenylalanine 18.21 15.86 17.5 18.08 19.17 18.73 18.14 18.39 17.79 16.6 18 18.22 19.54 18.33 15.88 18.49 15.45 Phosphoenolpyruvic acid 23.37 19.89 22.74 22.36 22.1 22.77 22.81 23.5 22.26 21.83 22.83 22.88 23.3 22.4 19.99 24.12 23.71 22.89 21.97 Proline 17.71 16.87 17.72 18.31 18.21 17.04 17.45 17.32 18.35 17.75 18.16 16.24 17.8 18.2 16.93 17.22 17.5 17.98 15.65 Pseudouridine 24.85 23.12 24.16 25.05 25.67 25.22 25.2 24.8 25.14 23.69 24.5 24.57 24.42 25.17 23.92 24.72 25.33 25.02 22.74 Pyruvic acid 26.08 27.38 26.39 27.03 26.92 26.47 26.13 25.57 26.48 26.77 27.21 26.72 26.99 26.86 27.44 25.57 25.93 25.97 26.41 Siloxanes 20.98 20.4 20.5 20.26 20.97 20.93 20.99 20.53 20.96 19.73 20.64 20.54 17.14 20.27 19.99 20.44 Spermidine 23.44 21.04 23.44 23.31 23.43 23.46 23.81 23.51 23.92 23.13 22.68 22.92 22.04 22.28 20.08 23.09 23.22 23.92 19.23 Squalene 19.11 17.18 19.43 18.95 19.13 19.79 24.78 24.17 19.54 17.95 19.35 17.91 18.84 18.54 17.84 18.65 17.75 18.36 22.38 Stearic acid 24.99 21.15 24.5 21.13 22.59 25.02 25.03 25.24 25.4 22.94 24.98 22.91 21.51 19.58 21.61 25.35 25.52 25.18 16.79 Sucrose and similar disaccharides 27.19 26.93 26.84 27.12 27.24 26.58 27.05 26.76 27.21 26.89 26.91 26.84 27.14 26.92 26.78 26.94 26.82 26.93 26.8 Taurine 22.13 18.89 20.99 20.55 21.41 22.18 22.8 22.71 22.44 20.07 21.67 20.99 21.42 19.11 22.61 21.81 20.68 Tetradecanedioic acid 18.35 17.29 16.92 18.09 17.68 17.44 18.18 17.12 17.29 17.13 17.17 16.17 17.27 17.74 16.82 17.82 17.57 17.93 13.91 Threonic acid/erythronic acid 24.86 24.24 23.78 25.05 25.16 25.57 25.37 24.92 25.17 24.66 25.92 25.49 25.54 25.52 24.5 25.56 24.84 24.66 22.55 Tiglic acid 23.04 20.37 20.71 19.02 21.05 22.3 22.81 22.15 22.81 21.2 22.01 22.16 21.66 21.76 20.16 23.09 21.83 21.45 20.57 Trisaccharide 19.13 21.04 22.44 20.48 22.87 21.74 20.23 20.55 22.15 20.96 23.36 22.23 17.56 19.25 20.81 22.03 Tryptamine/Norepinephrine 14.5 13.43 15.2 13.22 14.52 14.29 14.67 14.18 14.74 15.52 14.21 14.4 13.81 12.33 13.98 12.05 13.6 Uracil 20.62 19.73 20.24 20.28 20.42 20.82 20.3 20.19 20.66 20.03 20.82 20.65 20.59 20.47 20.22 20.39 20.68 20.08 21.51 Uric acid 18.11 15.45 19.6 17.98 18.18 17.56 21.42 19.97 19.24 18.23 19.36 18.38 18.76 17.57 17.44 20.89 19.9 19.35 Uridine 24.96 24.3 24.58 25.27 25.19 25.26 25.3 24.8 25.2 24.37 25.14 24.95 25.56 24.18 24.26 25.15 24.87 24.89 22.83 metabolite_name 2-Hydroxypyridine 3-Aminoisobutyric acid/beta-Alanine 3-Phosphoglyceric acid 5'-Deoxy-5'-(methylthio) adenosine 6-Hydroxynicotinic acid Acetoacetate/2-Aminoisobutanoic acid Adenine Alanine Aldopentoses alpha Ketoglutaric acid alpha-Monopalmitin alpha-Monostearin alpha-Tocopherol Aminomalonic acid Arachidonic acid (also Eicosapentaenoic acid) Ascorbic acid/Isoascorbic acid Aspartic acid Benzoic acid beta-Monopalmitin beta-Monostearin beta-Sitosterol C13 hydrocarbon C14 Hydrocarbon C15 hydrocarbon C16 Hydrocarbon C18 Hydrocarbon C19 hydrocarbon C20 Hydrocarbon Campesterol Carnitine Carnosine Creatinine deuterated Myristic Acid (RTL std) Dihydroxyacetone phosphate Disaccharide Erythritol/Theitol Ethanolamine Fructose or similar ketohexose Fumaric acid gamma-Hydroxybutyric acid Glucose and other aldohexoses Glutamine Glycerol Glycine Heptadecanoic acid/Octadecanol Hexanoic acid (and/or Glycolic acid) Hexitols Hydroxyprolines Hypoxanthine Inosine/Adenosine Isoleucine/Leucine Lauric acid Linoleic acid Lysine Malic acid Malonic acid Methionine sulfoxide Myoinositol Myoinositol-2-phosphate Myristic acid or Pentadecanol N-Methylalanine/2-Aminobutanoic acid/N-Ethylglycine Nonanoic acid O-Methylphosphate O-Phosphocolamine Palmitic acid Pantothenic acid Pentitols Phenylalanine Phosphoenolpyruvic acid Proline Pseudouridine Pyruvic acid Siloxanes Spermidine Squalene Stearic acid Sucrose and similar disaccharides Taurine Tetradecanedioic acid Threonic acid/erythronic acid Tiglic acid Trisaccharide Tryptamine/Norepinephrine Uracil Uric acid Uridine