metabolite_name 3RT39 41 SD2 2RT13 2RT14 2RT15 3RT25 SD4 STRL2 SD1 31 11 7 25 17 26 36 SRT14 43 24 Glyoxylic acid 15.89 15.45 15.8 13.89 14.68 13.72 13.79 14.24 14.37 15.33 13.84 14.95 14.26 14.08 14.29 14.01 Unknown-possibly propylene glycol 18.36 18.53 18.3 27.83 28.4 28.1 18.79 19.15 18.52 18.47 20.21 20.24 18.96 17.69 17.8 18.47 19.12 17.7 19.3 19.07 C10 hydrocarbon 15.16 14.13 14.34 14.03 14.11 14.65 12.83 13.5 13.86 14.91 13.59 14.65 14.47 14.51 14.89 12.52 2-Hydroxypyridine 15.2 14.94 15.15 15.03 15.01 15.2 15.54 16.21 15.97 15.5 14.93 15.64 14.9 15.33 15.35 14.78 15.49 16.24 16.18 15.72 Pyruvic acid 17.8 18.67 17.68 21.73 20.8 20.19 20.53 17.55 17.69 18.04 18.47 17.02 19.48 17.66 16.47 17.76 20.42 17.59 17 17.78 Phenol 13.5 13.93 13.85 Lactic acid 25.7 25.79 25.72 27.23 26.7 26.95 26.26 25.55 24.99 25.57 26.22 26.82 25.03 25.38 25.36 26.27 27.08 24.68 25.78 26.02 Glycolic acid 17.33 17.43 17 16.57 15.13 15.69 16.51 17.16 16.36 16.42 16.98 17.5 16.03 15.55 16.87 16.72 16.36 16.93 15.78 Alanine 22.63 23.88 22.51 21.35 21.38 21.91 21.95 21.36 21.86 22.49 23.11 22.92 21.86 20.77 22.03 22.45 22.87 21.36 22.73 21.37 C11 hydrocarbon 14.18 13.62 13.73 14.04 13.89 14.67 14.33 14.23 14.02 14.91 15.23 15.29 14.77 14.89 2-Ketovaline 13.94 15.11 15.17 14.83 15.51 15.97 14.55 13.72 15.45 14.75 15.57 15.01 14.47 13.13 15.31 Acetoacetate 16.11 16.62 15.27 16.89 14.74 18.44 18.91 20.24 18.05 17.7 15.99 16.01 18.91 15.56 2-Hydroxybutyric acid 15.92 16.09 15.05 19.42 17.5 18.19 18.82 16.94 15.65 14.86 20.19 19.42 18.36 17.22 16.95 18.53 18.83 17.13 18.4 19.1 beta-Hydroxybutyric acid 22.18 23.12 21.77 23.64 21.97 23.11 22.28 24.22 21.33 21.18 25.57 26.27 24.96 24.44 23.44 22.74 24.43 22.67 23.9 23.08 2-Aminobutanoic acid 14.26 15.5 14.64 14.62 14.2 14.4 14.61 13.47 14.03 16.71 15.54 16.38 15.06 13.95 15.1 14.83 16.11 14.34 Malonic acid 16.06 15.64 15.36 16.39 15.63 17.02 17.38 17.58 16.84 15.2 16.16 15.8 16.32 16.8 16.06 16.75 C12 hydrocarbon 14.06 13.17 13.93 13.17 2-Ketoleucine/ketoisoleucine 14.6 16.88 14.27 16.99 16.92 17.56 17.55 16.11 16.54 13.27 17.4 16.4 16.17 15.56 15.26 14.73 15.6 16.12 15.15 Valine 20.57 22.42 21.46 21.01 19.9 20.44 20.68 20.16 21 20.22 22.96 22.56 22.7 20.02 21.42 19.36 20.76 20.31 22.25 20.83 Benzoic acid 16.84 18.14 18.04 16.41 16.17 19.49 14.82 16.43 20.48 21.62 14.26 19.2 19.65 15.87 20.04 gamma-Hydroxybutyric acid/Ethylmalonic acid 25.58 26.3 25.65 24.09 24.16 25.42 24.69 25.99 26.05 25.08 24.5 25.51 25.84 25.96 25.45 25.65 25.79 25.24 25.73 26.04 Urea 25.58 26.3 25.65 24.09 24.16 25.42 24.69 25.99 26.05 25.08 24.5 25.51 25.84 25.96 25.45 25.65 25.79 25.24 25.73 26.04 Ethanolamine 16.88 17.35 17.18 17.6 16.85 18.07 16.69 16.92 16.73 17.34 17.04 17.29 15.84 16.41 16.08 16.46 17.36 15.86 16.79 16.25 Leucine 17.85 21.66 20.71 20.15 18.97 19.7 19.9 19.29 20.7 19.99 22.3 21.78 21.8 19.58 20.42 18.55 20.48 19.7 21.54 20.72 Glycerol 26.07 24.59 25.62 22.5 21.73 21.82 23.54 22.41 22.16 25.64 22.68 21.37 26.01 23.62 24.36 24.99 24.95 22.08 22.62 Phosphoric acid 26.07 25.44 25.4 25.19 25.32 25.2 25.28 25.56 25.13 25.64 26.68 25.73 25.74 24.87 25.76 25.44 24.99 24.95 25.03 24.88 C13 hydrocarbon 16.52 16.67 16.07 16.41 16.61 16.26 16.45 15.82 16.24 16.5 15.91 16.24 16.22 Isoleucine 17.28 21.27 20.19 20.34 19.35 20.18 20.19 19.74 20.6 20.09 21.72 21.53 22 19.87 20.4 17.59 20.24 19.97 21.56 20.41 Proline 17.89 21.86 20.85 19.35 17.84 19.05 19.79 17.79 20.52 19.66 21.43 21.31 20.41 17.9 19.79 18.76 20.83 18.8 21.18 20.13 Glycine 21.56 22.43 21.82 21.5 21.36 21.93 21.58 21.53 21.64 22 22.12 22.51 21.11 21.51 21.85 22.45 21.83 21.25 22.01 21.03 Succinic acid 18.25 17.52 17.94 19.07 17.43 18.71 18.4 17.52 17.96 17.28 18.69 18.53 18.77 16.87 17.34 21.64 20.48 18.26 17.48 19.03 Glyceric acid 17.64 18.39 17.36 15.85 14.83 17.18 15.41 16.77 17.35 19.29 18.19 17.42 16.72 16.84 16.95 17.1 16.65 16.62 17.35 15.62 MSTFA artifact 13.37 15.81 15.99 15.78 15.67 15.86 17.18 16.81 16.95 16.42 14.28 15.37 14.91 15.76 16.5 15.13 15.83 16.63 16.88 16.24 Uracil 15.03 15.39 14.96 16.57 16.6 15.92 15.46 14.51 15.81 14.98 16.67 16.57 15.13 16.89 17.21 15.37 15.41 15.2 Fumaric acid 12.89 15.8 15.81 17.1 16.74 16.09 16.11 16.22 14.5 13.65 15.34 16.59 14.98 13.72 16.95 16.98 14.87 15.46 14.88 Serine 21.21 23.45 22.14 21.11 20.81 21.77 21.47 21.78 21.78 22 22.43 22.18 21.39 21.04 21.77 21.07 21.93 21.69 22.4 20.6 Nonanoic acid 14.32 12.59 12.09 14.71 12.68 14.54 Pipecolic acid 14.96 15.18 14.58 13.53 12.96 13.56 11.87 14.66 14.75 13.98 13.48 13.18 12.46 14.14 Threonine 21.69 23.51 22.16 21.52 21.45 22.2 22.15 21.42 22.31 22.26 22.61 22.24 21.75 20.88 21.8 20.97 21.78 21.42 22.5 21.15 Erythrose/Threose 18.34 16.79 14.78 17.31 16.89 15.68 15.38 16.95 15.56 15.5 16.66 17.43 15.65 16.91 Glutaric acid 16 15.47 14.83 13.89 13.3 Diethanolamine 16.41 14.01 15.27 14.31 12.28 13.3 Hydrocinnamic acid 15.44 17.36 16.66 13.86 15.76 15.89 16.7 15.73 18.06 16.6 16.11 15.72 17.11 16.59 17.51 16.67 16.99 16.1 beta-Alanine 11.64 12.69 12.72 13.43 14.72 14.15 13.78 12.66 14.39 14.44 12.91 13.04 12.26 10.99 14.26 13.33 13.66 13.17 13.89 N-Acetylleucine 12.98 13.74 13.55 13.41 14.22 14.67 13.05 Decanoic acid 12.21 13.67 13.57 13.57 13.76 14.61 Aminomalonic acid 18.76 20.04 18.86 19.84 19.07 19.61 18.52 20.24 19.11 19.04 20.02 20.68 18.09 19.19 18.77 18.46 19.03 17.74 19.37 17.28 Nicotinamide 15.61 15.22 16.29 Malic acid 18.42 18.8 18.6 19.87 19.76 19.58 18.84 18.8 18.23 17.55 19.93 19.38 19.13 17.35 17.83 21.04 20.6 18.32 17.81 19.89 C15 hydrocarbon 15.34 15.07 14.84 Threitol/erythritol 16.02 16.67 16.01 16.82 16.58 16.87 17.06 15.05 16.36 16.57 17.89 17.16 16.53 15.85 16.12 17.22 17.3 15.71 16.65 17.36 Salicylic acid 15.21 12.21 13.98 11.64 12.54 14.91 13.51 14.24 16.25 Methionine 18.2 19.55 18.58 18.6 18.48 19.21 19.06 18.14 19.08 18.7 18.8 19.02 18.67 17.56 18.31 18.3 18.69 18.13 19.89 18.65 Hydroxyprolines 16.95 18.14 17.27 17.54 17.34 18.51 17.1 16.78 17.06 16.92 18.25 18.47 18.26 16.7 17.69 18.39 18.67 17.24 19.4 17.2 Aspartic acid 21.22 21.55 21.08 17.81 19.28 17.74 21.2 21.12 18.95 20 21.88 21.43 20.9 20.59 21.22 20.19 20.39 21.63 21.33 20.69 Erythronic acid 15.5 16.51 16.15 16.5 16.24 16.63 16.61 14.62 15.35 15.12 17.31 15.61 15.77 15.94 Cinnamic acid 19.3 17.7 17.15 17.37 16.5 Creatinine/Cysteine 18.97 18.9 18.05 19.83 20.57 20.18 18.73 17.77 18.02 17.25 18.15 18.64 17.72 17.04 16.86 19.18 19.23 17.46 17.98 18.18 Threonic acid 18.97 17.43 18.18 17.51 15.88 17.87 16.27 18.1 18.53 17.07 18.89 17.82 18.41 18.09 17.04 16.9 17.45 17.59 N-Methylglutamic acid 16.77 18.15 16.72 17.67 16.51 16.73 16.25 17.36 16.57 16.09 17.67 18.12 17.02 16.77 17 14.04 16.34 16.08 17.96 14.45 alpha Ketoglutaric acid 16.96 17.37 16.11 19.42 20.11 19.29 19.27 17.34 17.81 16.96 18.48 16.75 17.7 17.02 15.72 18.84 19.07 16.15 15.52 18.65 2-Hydroxybiphenyl 18 17.73 17.62 17.87 18.22 18.33 16.59 17.96 18.55 16.05 17.23 16.69 15.76 17.2 17.22 17.39 2-Isopropylmalic acid 18.93 20.3 19.45 20.53 19.02 19.58 19.13 20.17 19.69 19.58 19.71 19.98 19.16 19.7 19.85 19.68 19.11 20.2 18.38 5-Aminovaleric acid 14.07 14.74 13.85 Glutamic acid 20.01 20.83 20.41 21.29 21.48 21.9 20.97 19.83 20.46 19.98 22.02 21.32 19.4 20.06 19.2 22.51 21 19.92 20.23 21.28 Phenylalanine 19.71 20.85 19.87 20.27 20.05 20.76 20.56 19.67 20.47 20.01 20.88 20.67 19.1 19.35 19.25 19.6 20.26 19.44 20.53 20.21 Lauric acid 15.02 15.45 15.85 13.72 15.45 15.52 14.54 14.84 16.5 14.94 13.83 15.47 15.46 Pyrophosphate 15.26 13.11 15.51 13.13 15.61 12.8 13.56 13.84 12.71 12.99 11.59 14 13.68 13.16 11.19 13.47 14.02 13.23 Aldopentoses 15.43 15.64 13.99 15.5 15.33 15.13 17.07 15.27 16.77 16.37 15.35 15.45 14.9 16.32 16.5 14.9 15.62 16.19 3-Ureidopropionate 16.2 16.49 16.24 Asparagine 17.68 19.49 17.91 17.92 18.21 19.03 18.53 18.04 18.74 19.07 18.77 19.19 17.7 17.52 18.41 19.4 18.94 17.98 19.55 18.65 Pentitols 16.49 17.79 17.78 17.15 16.36 15.59 16.33 17.6 16.43 17.78 20.2 20.3 17.97 17.4 17 19.73 19.53 16.66 18.23 17.16 C17 hydrocarbon 16.41 16.47 16.72 16.44 15.8 17.12 17.09 16.49 15.55 16.24 13.34 16.34 Biuret 14.72 13.65 13.37 15.38 13.03 15.54 13.51 14.14 13.84 12.31 14.64 12.47 15.75 6-Deoxyhexose 16.43 15.37 16.33 15.62 16.25 15.47 15.77 15.4 16.69 16.09 15.68 15.72 15.59 16.32 16.89 14.99 15.71 15.82 3-(3-Hydroxyphenyl)propionic acid 16.2 15.33 13.47 Aconitic acid 10.96 15.06 13.81 14.03 Dihydroxyacetone phosphate 15.11 14.96 13.96 14.24 14.41 N-Acetylputrescine 15.37 17.4 16.79 15.41 15.89 16.18 15.55 15.61 15.43 16.07 15.42 16.71 15.14 Glycerol 1-phosphate 15.57 19.03 17.86 18.1 19.93 18.85 19.85 18.08 19.12 19.94 19.14 18.66 18.1 20.03 18.76 18.15 18.94 18.48 19.13 18.48 Glutamine 22.57 23.13 21.83 22.34 22.39 22.83 22.62 22.35 22.83 23.16 23.36 22.91 22.11 21.97 21.74 22.78 22.76 21.61 22.75 22.27 2-Aminopimelic acid 16.61 16.88 16.37 15.78 16.46 15.61 17.09 16.19 16.02 16.26 16.72 16.27 17.2 14.85 Pentonic acids 12.79 13.47 13.56 13.7 14 14.76 14.37 13.96 13.84 13.38 14.42 13.46 14.06 O-Phosphocolamine 14.62 17.75 15.02 17.4 17.65 16.02 16.63 16.34 16.43 15.18 13.99 16.64 16.26 15.99 16.31 16.1 16.85 Gentisic acid 22.38 23.11 22.85 21.82 21.88 22.14 19.56 20.92 21.65 Citric acid/isocitric acid 21.72 21.6 21.61 22.49 22.19 22.18 22.28 21.94 22.13 22.03 22.78 22.89 22.79 22.12 22.29 22.2 22.75 21.96 22.22 23.17 Ornithine 18.99 19.58 19.38 19.99 21.17 20.65 19.37 18.11 19.89 20.14 19.74 19.97 19.48 19.13 19.14 20.14 19.43 19.03 20.92 19.9 Arginine 14.3 15.34 13.88 13.71 14.06 14.88 14.47 14.66 14.5 14.86 14.9 14.61 13.54 14.83 15.53 14.27 13.93 15.18 Pinitol or similar methoxyinositol 14.32 19.34 19.04 deuterated Myristic Acid (RTL std) 21.67 22 21.98 21.92 21.7 22.13 21.94 22.13 22.13 21.74 21.98 22.05 21.82 21.73 21.28 21.25 21.7 21.95 22.05 21.21 1,5-Anhydroglucitol 21.88 20.96 20.57 21.86 19.92 20.42 20.82 21.31 20.16 21.22 22.78 23.42 21.6 22.59 22.32 22.76 23.03 19.61 22.41 21.71 Hippuric acid 20.81 17.07 21.23 19.8 20.32 19.21 20.23 Myristic acid or Pentadecanol 21.87 20.96 20.57 19.92 20.42 20.82 20.82 20.16 21.09 17.46 17.51 20.47 18.5 18.45 17.63 18.07 18.43 18.48 17.88 Methionine sulfoxide 14 14.39 13.5 12.71 13.59 14.27 14.04 15.95 14.74 16.02 14.57 16.07 14.88 15.46 14.8 16.13 15.28 Fructose or similar ketohexose 18.88 18.2 18.27 17.92 17.39 18.74 18.87 17.8 18.19 19.42 19.57 18.78 19.49 20.04 19.88 19.67 20.59 19.73 19.18 19.59 Allantoin 16.88 17.42 15.93 18.93 17.31 17.37 17.94 20.52 17.77 17.01 17.35 16.93 18.26 18.15 16.19 18.14 17.84 2,7-Anhydrosedoheptulose 25.37 26.79 26.5 25.44 24.73 24.19 24.89 26.81 25.36 24.13 27.51 27.88 26.54 26.58 26.13 27.89 27.87 27.24 27.74 26.04 Glucose and other aldohexoses 1 27.77 26.88 26.5 27.23 26.82 27.36 27.78 27.76 26.78 26.8 27.51 27.88 27.19 27.03 26.83 27.89 27.87 26.84 27.74 27.69 Histidine 16.16 16.09 14.45 16.77 17.66 Lysine 21.95 22.2 21.25 21.8 21.76 22.17 21.77 21.83 22.46 22.29 21.8 21.57 21.11 21.18 21.4 21.33 21.31 21.14 21.12 20.38 Hexitols 1 26.31 26.88 26.3 25.2 24.73 25.19 25.98 26.26 25.87 26.8 27.33 27.28 27.19 27.03 26.83 27.21 27.37 26.84 27.25 27.28 Methyl palmitate 17.79 17.93 17.87 16.87 15.8 18.89 18.96 17.91 19.19 18.57 18.1 18.06 19.17 18.52 17.73 17.76 17.83 18.12 18.82 18.24 Hexitols 2 16.66 15.53 18.02 16.39 15.43 17.39 17.51 16.69 16.22 16.96 18.12 18.79 17.83 18.95 18.16 19.02 20.27 18.57 18.28 18.94 Hexuronic acid 15.05 14.65 13.2 14.84 14.41 14.72 15.65 14.4 15.66 16.12 16.81 16.13 15.85 15.77 15.46 17.53 16.75 14.29 15.49 16.1 Tyrosine 20.07 19.78 19.27 20.77 20.07 20.62 20.22 20.13 20.86 20.31 20.82 20.37 18.48 20.16 18.99 19.64 20.7 19.69 19.97 20.19 Hexadecanol/Pentadecanoic acid 17.17 17.31 15.76 16.39 15.52 15.36 16.44 16.46 14.63 18.48 17.28 14.14 15.02 16.68 15.82 14.79 Gluconic acid or similar sugar acid 18.66 17.82 17.2 16.69 16.73 16.16 14.14 18.93 16.82 18.25 19.48 19.53 17.53 19.19 17.58 20.18 19.61 17.19 17.5 15.63 Glucose and other aldohexoses 2 26 27.48 26.85 26.1 25.53 25.02 25.78 27.41 26.12 26.97 27.61 27.82 27.22 27.48 27.31 27.76 27.77 27.36 27.61 27.04 5-Hydroxylysine 17.48 18.21 16.21 14.28 17.38 16.92 16.54 17.07 18.28 16.97 17.83 17.19 17.94 16.99 17.48 16.64 17.29 17.57 Palmitoleic acid 20.16 20.88 20.28 19.2 20.11 20.08 21.11 20.56 20.03 19.17 18.96 14.43 Palmitic acid 24.08 24.24 24.29 23.08 23.05 23.63 23.63 23.92 24.11 24.47 22.98 23.61 25.37 24.21 23.42 23.1 23.65 23.99 24.1 23.63 Indole-3-acetamide 16.6 14.77 17.23 16.67 17.56 17.14 19.17 16.82 16.12 17.38 17.23 19.83 19.3 17.28 18.2 19.08 Dopamine/5-Hydroxylysine 12.49 13.64 14.96 14.77 12.01 12.22 13.58 Myoinositol 21.19 19.87 20.81 21.32 22.08 21.65 20.46 20.61 20.88 21.11 21.12 21.09 20.77 21.39 20.76 20.69 21.19 20.54 21.25 21.31 Uric acid 11.55 13.55 20.29 19.39 18.06 12.81 18.02 16.15 14.5 16.56 14.28 13.11 12.85 20.08 18.41 17.57 17.7 Methyl linolenate 17.64 17.71 17.01 15.61 17.91 18.55 16.74 19.46 19.03 18 17.61 19.87 18.43 17.88 17.94 18.31 17.72 18.94 18.73 Methyl oleate 13.71 15.13 14.88 15.8 16.23 14.94 14.54 17.79 15.39 14.38 15.08 16.31 15.11 Ketopentose-5-phosphate 12.08 13.22 13.75 13.12 N-Acetyltyrosine 12.7 12.54 12.54 Methyl stearate 19.42 19.48 19.21 17.91 16.6 20.13 20.11 19.89 20.54 20.42 20 19.55 20.56 20.08 19.4 18.93 19.45 19.87 20.23 19.87 Heptadecanoic acid/Octadecanol 17.5 17.78 18.05 17.59 17.61 17.4 17.93 17.93 17.24 17.64 19.59 18.13 17.84 18.13 17.61 18 18.19 3-Indolelactic acid 11.99 12.04 14.27 15.4 14.54 1-Methyltryptophan 14.68 14.19 12.62 13.72 17.3 15.45 15.31 15.96 15.56 13.22 15.6 17.48 17 14.93 Tryptamine/Norepinephrine 16.71 15.57 16.27 16.35 17.11 15.12 16.5 16.35 16.66 15.55 16.58 17.33 14.72 14.22 14.44 15.11 14.64 14.85 13.43 Linoleic acid 24.51 24.79 24.64 21.83 21.47 22.13 23.09 23.22 24.01 24.94 22.58 22.97 25.57 24.57 23.36 23.05 24.12 23.48 23.82 24.17 Tryptophan 18.52 18.87 20.72 18.8 20.72 19.32 20.46 20.57 19.44 19.72 19.51 18.28 18.4 19.04 19.57 19.62 18.41 Oleic acid 23.13 23.81 23.9 20.44 21.05 21.15 21.73 22.56 22.41 23.69 20.96 22.31 25.04 23.59 22.47 21.23 22.81 22.93 23.31 22.56 Stearic acid 23.5 23.46 23.31 23.28 23.17 23.62 23.6 23.69 23.72 23.51 23.31 23.74 24.7 23.68 23.33 23.39 23.59 23.73 23.77 23.67 Cystine 15.86 17.59 16.93 15.55 13.72 17.43 16.9 16.3 17.85 16.81 16 15.05 18.55 16.97 16.92 16.19 15.74 Glucose-6-phosphate or similar 13.54 14.07 18 14.24 13.33 13.84 15.5 14.09 12.21 15.24 15.15 14.26 14.98 13.72 Nonadecanoic acid 15.35 15.85 16 16.31 15.71 17.2 16.13 16.64 18.18 15.79 15.52 15.15 16.32 15.6 16.56 16.43 Arachidonic acid (also Eicosapentaenoic acid) 22.27 22.77 22.4 22.09 21.97 22.67 22.31 22.68 22.73 22.43 21.93 22.28 22.97 22.6 21.22 21.49 22.19 22.61 22.42 22.05 EDTA 26.45 26.7 27.04 26.4 27.55 25.95 26.48 26.98 26.56 25.9 26.8 27.47 27.02 26.32 26.58 25.65 25.64 27.19 26.77 26.19 N-Acetyltryptophan 12.2 13.72 13.67 16.21 13.52 13.25 15.35 12.79 11.74 Arachidic acid 16.19 15.99 15.96 14.76 14.61 15.06 16.08 16.08 16.27 15.54 15.5 17.37 16.37 14.64 15.85 16.59 15.28 15.71 16.27 Stearamide 15.33 16.31 15.3 13.82 Serotonin 16.9 16.13 16.83 15.8 Uridine/pseudouridine 16.22 16.61 16.15 15.76 Dioctyl phthalate 13.74 13.55 14.98 14.58 13.6 14.43 12.61 14.11 13.41 13.74 13.61 beta-Monopalmitin 17.85 18.02 17.79 17.3 17.15 17.82 17.85 17.35 18.32 17.84 17.54 17.79 19 17.66 17.6 17.41 17.93 17.78 17.85 17.91 Docosahexaenoic acid 19.91 20.36 20.27 19.3 18.84 19.65 19.08 19.5 18.74 19.55 18.86 19.51 22.03 20.5 18.42 17.59 19.05 20.15 19.83 18.67 alpha-Monopalmitin 21.46 21.69 21.67 21.33 21.3 21.83 21.78 21.16 21.77 21.57 21.63 21.67 22.71 21.49 21.59 21.49 21.61 21.64 21.44 21.6 Sucrose and similar disaccharides 13.31 13.97 16.57 13.52 12.13 13.09 14.62 13.21 14.67 16.75 13.4 16.08 12.57 14.53 15 14.29 Docosanoic acid 14.22 14.85 15.79 10.81 14.58 11.96 14.74 14.98 16.34 15.13 12.68 15.26 13.41 14.65 Maltose or similar disaccharide 16.76 14.93 20.03 14.68 17.46 14.09 16.25 16.48 17.54 17.98 19.5 18.49 17.4 18.91 18.46 18.69 18.85 beta-Monostearin 19.94 20.07 19.82 19.91 20.05 20.38 20.2 20.05 20.29 19.9 20.11 20.23 20.41 19.92 20.04 20.12 20.26 19.95 20.07 20.18 alpha-Monostearin 24.22 24.21 24.21 24.12 24.15 24.53 24.42 23.96 24.25 24.06 24.12 24.38 24.46 24.11 24.27 24.22 24.27 24.28 24.17 24.16 Disaccharide 15.91 14.28 17 13.65 14.54 12.37 15.79 14.56 15.96 16.54 16.01 15.6 16.27 16.95 15.01 14.59 15.52 Squalene 18.36 13.87 14.13 Tetracosanoic acid 14.7 14 15.16 14.34 15.41 13.47 15.73 14.66 13.83 14.7 16.57 15.73 12.52 13.61 14.91 14.86 14.32 Flavanoid or short-chain cholesterol ester 16.54 16.9 17.4 17.49 17.11 17.45 16.51 17.06 17.42 16.52 17.26 17.91 17.17 16.44 16.4 16.78 17.24 17.37 16.4 gamma-Tocopherol 12.03 12.25 14.39 12.59 alpha-Tocopherol 17.86 17.5 17.9 18.22 17.17 19.22 17.47 18.82 19.68 18 18.67 18.27 19.55 17.7 17 18.36 18.38 17.65 18.37 18.27 Cholesterol 24.79 24.84 25.24 24.88 24.62 25.26 24.78 25.29 25.64 25.37 24.76 25.25 26.24 24.69 24 24.57 24.52 25.01 24.97 24.43 5-alpha-Coprostanol or similar oxysterol 16.44 16.87 15.93 16.38 16.81 16.33 16.96 17.08 14.94 17.64 17.02 Campesterol 19.61 20.01 19.52 19.05 18.89 19.72 20.51 19.58 21.05 20.45 20.53 20.21 21.3 19.83 19.25 20.16 19.66 19.27 20.2 20.22 Cholic acid or similar bile acid 20.46 17.63 20.42 17.65 18.78 20.32 17.43 19.97 20.6 19.02 13.89 22.76 20.34 20.52 Chenodeoxycholic acid 18.96 14.77 18.77 14.76 beta-Sitosterol 19.55 20.05 19.33 19.47 19.04 19.82 20.78 19.39 21.16 20.66 20.32 19.68 20.61 19.47 18.97 20.06 19.37 18.99 19.62 20.04 Fucosterol 15.4 17.32 17.33 16.8 16.37 15.25 17.11 16.5 15.21 15.52 16.48 Trisaccharide 15.32 11.84 16.68 18.41 13.77 16.08 metabolite_name Glyoxylic acid Unknown-possibly propylene glycol C10 hydrocarbon 2-Hydroxypyridine Pyruvic acid Phenol Lactic acid Glycolic acid Alanine C11 hydrocarbon 2-Ketovaline Acetoacetate 2-Hydroxybutyric acid beta-Hydroxybutyric acid 2-Aminobutanoic acid Malonic acid C12 hydrocarbon 2-Ketoleucine/ketoisoleucine Valine Benzoic acid gamma-Hydroxybutyric acid/Ethylmalonic acid Urea Ethanolamine Leucine Glycerol Phosphoric acid C13 hydrocarbon Isoleucine Proline Glycine Succinic acid Glyceric acid MSTFA artifact Uracil Fumaric acid Serine Nonanoic acid Pipecolic acid Threonine Erythrose/Threose Glutaric acid Diethanolamine Hydrocinnamic acid beta-Alanine N-Acetylleucine Decanoic acid Aminomalonic acid Nicotinamide Malic acid C15 hydrocarbon Threitol/erythritol Salicylic acid Methionine Hydroxyprolines Aspartic acid Erythronic acid Cinnamic acid Creatinine/Cysteine Threonic acid N-Methylglutamic acid alpha Ketoglutaric acid 2-Hydroxybiphenyl 2-Isopropylmalic acid 5-Aminovaleric acid Glutamic acid Phenylalanine Lauric acid Pyrophosphate Aldopentoses 3-Ureidopropionate Asparagine Pentitols C17 hydrocarbon Biuret 6-Deoxyhexose 3-(3-Hydroxyphenyl)propionic acid Aconitic acid Dihydroxyacetone phosphate N-Acetylputrescine Glycerol 1-phosphate Glutamine 2-Aminopimelic acid Pentonic acids O-Phosphocolamine Gentisic acid Citric acid/isocitric acid Ornithine Arginine Pinitol or similar methoxyinositol deuterated Myristic Acid (RTL std) 1,5-Anhydroglucitol Hippuric acid Myristic acid or Pentadecanol Methionine sulfoxide Fructose or similar ketohexose Allantoin 2,7-Anhydrosedoheptulose Glucose and other aldohexoses 1 Histidine Lysine Hexitols 1 Methyl palmitate Hexitols 2 Hexuronic acid Tyrosine Hexadecanol/Pentadecanoic acid Gluconic acid or similar sugar acid Glucose and other aldohexoses 2 5-Hydroxylysine Palmitoleic acid Palmitic acid Indole-3-acetamide Dopamine/5-Hydroxylysine Myoinositol Uric acid Methyl linolenate Methyl oleate Ketopentose-5-phosphate N-Acetyltyrosine Methyl stearate Heptadecanoic acid/Octadecanol 3-Indolelactic acid 1-Methyltryptophan Tryptamine/Norepinephrine Linoleic acid Tryptophan Oleic acid Stearic acid Cystine Glucose-6-phosphate or similar Nonadecanoic acid Arachidonic acid (also Eicosapentaenoic acid) EDTA N-Acetyltryptophan Arachidic acid Stearamide Serotonin Uridine/pseudouridine Dioctyl phthalate beta-Monopalmitin Docosahexaenoic acid alpha-Monopalmitin Sucrose and similar disaccharides Docosanoic acid Maltose or similar disaccharide beta-Monostearin alpha-Monostearin Disaccharide Squalene Tetracosanoic acid Flavanoid or short-chain cholesterol ester gamma-Tocopherol alpha-Tocopherol Cholesterol 5-alpha-Coprostanol or similar oxysterol Campesterol Cholic acid or similar bile acid Chenodeoxycholic acid beta-Sitosterol Fucosterol Trisaccharide