metabolite_name 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 31 32 33 34 35 36 43 44 45 46 47 48 55 56 57 58 59 60 67 68 69 70 71 72 79 80 81 82 83 84 91 92 93 94 95 96 103 104 105 106 107 108 115 116 117 118 119 120 5,6-Dihydrouracil 13.90 14.47 14.73 15.18 14.72 13.85 16.32 13.64 14.90 14.69 14.41 15.60 15.11 14.61 15.26 14.88 14.86 15.35 15.14 15.32 15.06 15.60 15.70 16.07 16.10 15.89 15.58 15.36 15.41 15.31 15.61 16.18 15.12 16.17 16.47 15.89 15.48 15.83 15.30 15.43 15.88 15.96 15.57 16.21 15.43 15.53 16.82 15.79 16.20 15.99 14.79 14.52 16.45 15.88 12.87 15.87 16.03 15.43 15.94 16.00 16.44 16.40 1-Dodecanol 14.05 13.78 15.23 13.31 14.02 15.77 13.82 14.20 13.39 13.16 13.88 13.42 13.98 14.26 1,2-Propanediol 19.03 18.86 19.03 19.12 18.89 18.93 19.22 18.41 19.19 19.76 19.15 19.99 18.50 18.70 19.61 19.22 18.34 19.16 20.00 19.84 20.35 20.35 20.19 20.61 19.99 19.24 19.90 19.93 20.13 20.15 20.14 20.02 20.46 20.50 20.00 20.47 19.62 19.90 19.97 20.35 20.35 20.75 19.59 20.00 20.60 20.16 20.92 20.23 20.07 19.91 20.16 20.54 20.80 20.82 19.89 21.11 19.58 20.54 20.64 19.10 19.82 19.67 20.53 19.71 20.77 21.11 20.59 20.70 21.21 1,3-Dihydroxyacetone 18.84 18.18 18.95 18.74 18.94 18.58 18.27 17.67 18.11 18.67 17.87 18.97 17.98 18.24 17.79 17.79 18.16 17.52 18.25 17.84 17.51 17.96 18.18 17.79 18.73 18.29 18.68 18.89 18.31 17.74 17.81 17.43 18.64 18.37 18.83 18.73 18.41 18.63 18.42 18.18 18.68 17.83 18.10 17.82 18.58 18.40 18.76 18.91 19.02 17.89 16.87 16.40 17.86 17.76 18.52 19.04 17.29 19.44 18.58 19.50 17.89 17.86 17.74 17.79 18.37 2-Amino-2-Methyl-1,3-Propanediol 18.02 17.48 18.25 17.92 18.08 17.67 17.69 17.77 16.81 17.47 17.52 17.46 17.82 17.81 17.72 17.58 18.18 17.86 17.56 17.69 17.88 17.98 17.62 17.64 17.70 2-Ethylhexanoic Acid 14.07 13.27 15.71 13.26 14.68 13.78 15.81 15.90 16.22 14.20 15.37 14.83 13.06 16.53 2-Hydroxy-3-Methylvaleric Acid 13.53 14.03 13.22 15.09 14.93 14.93 15.27 14.82 14.12 14.30 14.00 13.53 14.46 13.34 13.08 13.69 14.71 14.30 13.30 13.22 14.75 14.71 14.04 14.80 13.59 12.48 15.10 14.29 14.89 13.72 14.11 14.82 14.79 14.37 13.16 13.91 14.12 14.24 14.69 14.73 14.83 15.65 13.75 14.04 2-Hydroxybutyric Acid 14.69 13.96 14.26 13.97 15.73 14.14 2-Hydroxyglutaric Acid 18.92 18.38 19.13 18.74 19.65 18.72 18.47 17.01 17.18 18.34 17.93 18.82 18.14 18.75 18.51 18.95 18.46 18.79 18.06 17.81 19.24 18.07 18.01 18.24 18.51 18.73 18.41 18.56 18.77 17.74 17.70 17.76 18.25 18.56 18.53 16.65 18.34 18.27 18.87 18.05 18.30 17.13 18.81 18.29 18.84 18.30 19.29 15.33 18.79 19.18 18.29 17.42 18.19 18.15 18.14 17.16 18.69 18.85 18.83 18.35 19.30 18.59 17.96 18.25 18.25 18.30 18.52 2-Isopropylmalic Acid 19.26 19.70 19.73 19.60 20.48 20.23 20.47 19.91 20.39 22.62 20.09 20.78 20.54 19.88 19.94 19.67 20.58 20.82 20.45 19.74 20.86 21.51 19.73 20.48 19.80 21.44 21.69 20.28 19.49 20.95 21.62 2-Ketoleucine/Ketoisoleucine 23.49 23.35 23.51 22.42 23.41 23.32 22.62 20.85 22.36 22.99 22.35 23.28 23.24 23.72 23.54 23.91 23.37 23.70 23.43 23.19 23.94 23.45 23.46 23.59 23.44 23.04 23.98 23.19 23.47 23.23 23.33 23.47 23.58 23.69 23.98 23.34 23.32 23.45 23.00 23.56 22.48 23.83 23.65 23.88 23.25 24.23 24.06 24.39 23.72 23.36 23.19 23.83 23.55 23.64 23.85 23.24 23.87 21.84 23.57 23.99 21.70 23.33 23.09 23.36 22.47 23.85 24.08 23.74 24.06 23.87 23.94 24.10 2-Ketovaline 20.68 20.14 20.53 20.00 20.37 20.14 19.78 18.28 19.35 20.26 19.38 20.37 20.65 21.06 20.70 21.30 20.87 21.12 20.63 20.41 21.02 20.90 20.50 20.77 20.44 20.14 20.44 20.27 20.48 20.38 20.53 20.58 20.65 20.95 21.08 20.27 20.24 20.57 19.99 20.55 20.15 20.89 20.98 20.86 19.75 21.55 21.33 21.60 21.02 20.63 20.22 21.03 20.61 20.79 21.00 20.59 20.79 19.48 21.04 21.10 18.49 20.81 19.92 20.46 19.78 20.95 21.23 20.79 21.10 21.08 21.08 21.21 2-Phenylacetamide 17.38 15.91 17.24 16.11 17.28 16.90 16.02 17.30 17.22 17.72 16.20 17.39 17.21 18.19 17.04 14.98 15.21 17.01 17.31 17.11 17.59 17.26 17.86 16.04 16.50 16.69 16.15 18.17 16.86 17.62 17.87 16.83 17.68 16.93 17.63 18.00 2-Phenylacetic Acid 16.06 15.95 15.92 15.69 16.04 16.00 16.19 14.23 15.77 15.82 15.95 14.42 16.12 16.00 15.89 16.03 16.21 13.68 14.90 14.16 16.28 16.09 15.90 16.08 16.28 16.57 14.58 14.53 14.44 13.80 15.96 15.32 16.45 14.77 14.10 15.91 15.65 16.43 16.52 15.80 16.68 14.87 3- Or 4-Methylcatechol 12.56 13.14 13.68 12.67 11.68 13.36 13.00 13.06 13.08 3-Indolelactic Acid 13.07 13.87 14.63 15.15 14.33 15.22 14.67 15.86 14.98 15.12 14.39 15.02 14.65 14.49 14.49 14.89 14.68 14.12 14.33 14.40 14.24 15.88 15.23 14.84 15.76 14.39 15.29 15.76 16.25 14.76 14.18 13.86 15.27 14.52 14.78 14.11 15.73 14.59 15.24 14.78 15.09 3-Phenyllactic Acid 16.06 15.06 15.77 16.48 16.06 15.44 15.60 15.38 16.32 15.72 16.23 16.64 15.46 16.57 16.95 16.27 15.44 15.62 17.23 15.71 17.03 16.23 15.89 17.19 4-Hydroxy-3-Methoxybenzoic Acid 16.58 16.59 18.39 15.94 16.37 16.32 16.32 16.95 17.54 15.89 16.49 16.77 16.68 16.88 17.36 16.95 17.20 17.38 17.14 17.06 17.10 15.66 16.80 16.59 17.14 17.36 16.90 17.06 17.93 17.31 17.04 17.49 16.45 16.54 17.15 17.22 16.98 16.78 17.22 16.38 17.36 17.28 15.87 16.26 17.26 17.18 16.22 17.84 16.57 17.72 16.63 17.90 18.04 16.72 15.70 16.10 16.72 15.20 16.26 18.07 17.15 17.61 17.89 18.04 17.43 4-Hydroxybenzaldehyde 14.60 15.16 14.65 14.33 14.87 14.77 15.43 15.94 14.59 4-Hydroxymandelic Acid 17.50 17.08 17.18 17.80 17.75 17.93 17.54 16.95 17.05 18.18 17.97 18.46 18.09 17.59 18.12 18.33 17.79 18.14 18.02 17.79 18.18 18.22 18.27 18.56 18.50 19.01 18.42 18.41 18.86 17.84 18.18 19.37 18.90 18.04 18.74 4-Hydroxyphenylacetic Acid 16.67 16.46 16.84 16.51 16.87 16.64 16.89 15.96 15.96 16.57 16.23 16.35 14.15 14.05 14.39 13.92 14.43 14.67 13.28 16.56 16.73 16.94 17.22 16.72 16.60 13.24 13.73 14.32 16.94 17.03 16.74 16.93 17.30 18.01 14.38 14.67 17.05 16.52 15.73 17.43 17.58 14.02 13.40 14.24 14.80 16.55 16.55 17.09 17.51 16.10 18.09 14.67 13.01 15.18 4-Hydroxypyridine 14.84 14.99 14.53 14.89 14.75 14.14 15.17 14.61 14.00 14.60 13.04 14.84 14.23 14.71 13.85 14.21 14.47 14.67 15.30 13.82 14.43 14.26 14.15 14.49 14.17 15.20 14.74 14.42 14.72 13.76 14.29 13.71 14.62 15.02 14.91 14.87 14.04 15.35 14.71 14.84 14.77 14.76 15.16 12.80 14.78 4-Methyl-5-Thiazoleethanol 17.45 17.12 15.43 15.61 16.14 15.97 15.65 15.95 15.42 16.20 17.48 17.57 17.35 17.68 18.01 16.69 16.27 16.16 16.87 17.21 16.38 17.81 17.70 17.64 18.56 17.75 16.70 17.04 15.61 17.41 16.94 17.40 16.62 17.46 17.28 17.99 17.48 16.69 16.55 17.51 15.49 16.87 16.75 16.51 18.31 17.49 17.93 18.22 17.05 17.39 17.25 17.78 17.33 5-(Hydroxymethyl)Furfural 19.17 18.82 19.16 19.55 18.95 19.28 18.26 17.73 18.49 18.48 17.85 18.46 19.44 19.71 19.41 19.89 19.11 19.61 19.52 19.46 19.56 19.48 19.48 19.77 19.12 18.92 18.85 19.30 18.62 19.41 19.43 19.52 19.77 19.79 19.52 19.14 18.82 18.95 19.11 19.16 19.42 19.55 19.59 19.23 20.06 19.66 19.98 19.67 18.65 19.20 19.60 19.03 19.20 19.79 19.11 19.86 19.79 19.77 18.06 18.30 19.05 19.20 19.94 19.59 19.83 19.83 19.95 20.03 5-Aminovaleric Acid 15.67 16.25 16.62 16.50 16.58 16.12 15.89 15.95 16.54 16.09 16.54 15.80 16.46 16.86 16.20 16.32 16.52 16.41 16.28 16.48 16.75 16.75 5-Hydroxylysine 14.36 14.60 15.47 15.20 14.11 13.38 13.79 14.76 14.29 13.52 12.41 14.99 13.60 13.73 14.57 15.03 13.64 12.95 14.33 14.26 13.93 15.74 12.93 14.22 Adenine 14.08 14.20 15.02 15.14 15.20 15.56 14.78 16.25 15.91 14.56 14.47 15.10 15.98 15.80 14.64 14.90 14.86 15.47 15.95 15.44 15.65 Alanine 22.15 21.76 22.24 21.76 22.08 21.86 22.04 22.33 22.16 22.25 21.92 22.40 22.35 22.62 22.67 22.71 22.13 22.21 22.20 22.11 20.98 22.16 22.03 21.91 22.67 22.12 22.30 21.91 21.89 22.33 21.61 21.89 21.89 21.83 22.17 21.77 22.25 22.30 22.03 22.13 22.02 22.60 22.37 21.72 20.72 22.12 22.10 22.70 22.37 22.38 22.29 22.00 22.43 22.34 21.98 21.72 21.10 20.58 22.10 22.46 21.81 22.26 22.23 22.12 21.65 22.64 21.84 22.10 22.03 21.68 22.07 22.49 Aldopentoses 21.52 20.87 21.64 21.35 21.45 21.33 21.07 19.97 20.29 21.06 20.37 21.61 21.11 21.83 21.60 21.87 21.48 21.79 21.29 20.60 21.10 21.14 20.55 20.98 21.46 21.15 21.52 21.26 21.52 20.98 20.92 20.89 21.03 21.31 21.11 19.88 21.51 21.40 21.08 21.44 21.16 21.80 21.40 21.62 20.63 22.16 21.46 21.57 21.72 21.99 21.34 21.93 21.60 21.90 21.52 20.98 21.33 20.31 20.80 20.66 20.68 21.81 21.83 21.72 21.32 22.30 21.92 21.50 21.68 21.74 21.08 21.17 Alpha Ketoglutaric Acid 20.11 18.56 17.84 20.07 17.74 18.36 19.18 18.98 19.72 20.34 20.43 20.16 18.86 18.00 18.42 17.49 17.41 18.98 18.19 18.60 18.21 18.69 19.54 18.89 19.00 20.58 18.79 17.66 18.38 17.09 18.91 17.88 19.72 18.98 17.06 21.10 20.44 21.53 18.83 17.80 19.79 18.51 17.93 19.49 17.17 19.00 20.01 19.91 17.84 18.31 16.52 19.37 20.08 18.57 19.75 19.20 20.13 20.43 Aminomalonic Acid 21.70 21.51 21.45 21.95 20.73 21.59 20.38 20.47 21.14 21.21 20.00 21.51 21.85 22.15 21.41 22.81 21.90 22.34 21.73 22.18 23.81 22.09 22.57 22.48 21.07 20.02 20.35 20.04 21.29 20.42 21.81 22.03 21.70 21.70 23.08 22.46 21.16 20.71 20.64 20.94 21.55 22.09 22.53 21.65 20.34 22.58 22.96 23.40 22.21 20.61 20.54 22.21 21.69 21.40 22.72 20.73 21.96 20.65 23.16 23.26 20.13 20.80 20.07 20.68 19.68 21.41 22.55 21.68 21.74 21.83 23.04 23.54 Arachidic Acid 18.57 18.97 19.20 18.95 19.63 19.08 19.35 19.26 18.75 19.11 19.21 19.10 19.14 18.78 19.78 19.19 19.29 18.75 19.24 19.41 18.98 19.57 18.88 19.09 18.14 19.61 19.07 19.94 19.88 19.10 18.86 19.63 19.58 20.11 19.93 19.37 19.28 19.03 19.10 19.58 19.92 19.15 18.81 18.97 19.67 19.60 19.64 19.55 19.59 18.71 19.43 19.53 19.39 19.41 17.12 19.66 19.41 19.56 20.42 19.49 17.18 19.46 18.37 19.10 19.59 19.75 19.30 19.51 19.84 20.04 19.76 Asparagine 18.82 18.60 18.29 18.16 17.90 17.82 18.19 18.69 18.39 19.19 18.59 17.70 17.57 17.50 17.85 19.48 17.88 18.60 18.64 17.79 18.83 19.11 19.72 18.44 18.06 18.76 19.78 18.71 18.55 18.57 19.06 19.14 18.14 17.03 17.38 19.43 19.73 18.41 18.96 17.63 18.37 19.53 17.75 17.88 17.81 19.61 19.54 Aspartic Acid 18.93 18.58 19.10 19.24 18.59 18.57 17.48 16.33 16.85 18.07 17.90 17.99 16.73 18.40 17.19 18.39 18.15 17.62 19.23 17.96 17.31 17.91 17.70 16.45 17.65 16.82 17.47 16.11 17.16 17.39 17.46 16.77 18.26 17.52 16.53 16.14 17.29 16.86 17.92 17.45 17.67 17.61 17.91 16.89 17.44 16.95 18.06 16.94 17.58 18.17 17.44 15.77 17.13 18.09 17.37 18.06 17.25 17.75 17.96 Benzene-1,2,4-Triol 17.80 19.17 18.43 17.65 18.29 17.15 17.57 15.71 19.93 19.40 Benzoic Acid 21.37 21.41 21.37 21.54 21.35 21.53 21.14 21.28 21.42 21.02 21.00 21.39 21.25 21.46 21.14 21.54 21.17 21.54 21.36 21.32 21.89 21.41 21.42 21.52 21.31 21.15 21.55 21.25 21.55 21.22 21.10 21.24 21.28 21.44 21.71 21.56 21.40 21.28 21.12 21.04 21.28 21.49 21.21 21.21 21.48 21.60 21.80 21.83 21.45 21.60 20.99 21.40 21.49 21.32 21.42 21.40 21.67 21.46 21.45 21.56 21.31 20.91 21.47 21.09 21.27 21.47 21.60 21.37 21.58 21.48 21.63 21.83 Beta-Alanine 17.00 17.20 17.04 17.18 16.92 17.31 17.14 17.05 15.79 16.89 16.50 17.20 16.87 16.75 16.91 17.49 16.87 17.21 17.11 17.31 16.56 17.40 17.44 17.25 16.99 17.40 17.16 17.26 18.45 17.07 17.27 17.19 17.49 17.74 17.36 17.12 17.70 17.33 17.59 17.62 19.56 16.56 17.22 17.65 18.07 17.06 17.63 17.49 17.41 17.69 17.42 17.62 15.58 17.54 17.05 17.93 17.28 17.73 17.05 17.59 17.69 17.49 17.52 17.90 16.60 Cholesterol 19.90 19.61 19.74 18.67 19.18 19.00 19.24 18.79 19.33 19.24 18.62 19.76 19.75 19.78 19.59 20.00 20.12 20.54 19.43 19.05 18.63 19.71 18.07 19.64 18.98 17.68 18.92 18.78 17.91 18.90 19.31 18.98 19.55 18.53 19.63 18.58 19.93 19.32 19.55 19.38 18.95 20.05 20.05 19.26 19.49 19.93 19.45 19.86 20.72 19.14 18.47 20.49 19.47 20.23 20.48 19.15 20.23 20.30 19.93 19.78 18.65 18.89 19.48 19.12 17.17 19.09 19.47 17.74 19.30 18.63 18.68 19.09 Citramalic Acid 16.43 16.35 16.00 16.43 16.11 16.39 17.57 15.55 16.28 17.03 16.89 16.46 16.56 16.20 16.51 15.70 16.46 16.37 15.85 16.67 16.09 18.27 16.81 16.95 16.49 17.32 15.23 18.41 17.59 17.10 Citric Acid/Isocitric Acid 21.37 20.12 20.29 20.97 21.40 19.83 20.08 20.01 20.45 20.06 21.78 19.88 21.32 21.30 22.04 20.42 19.45 21.73 20.20 20.04 20.10 19.52 19.88 19.42 19.88 19.70 19.63 20.73 20.21 19.49 20.23 19.62 20.83 20.89 20.52 20.93 20.46 20.36 19.96 19.91 21.23 20.47 20.81 20.97 19.87 20.52 20.37 21.35 21.29 Citrulline 16.20 15.82 16.40 16.28 16.61 17.59 14.73 14.37 18.75 17.82 18.15 18.21 17.09 16.30 17.79 18.47 17.58 18.84 18.66 18.37 19.13 19.00 18.51 17.39 17.77 17.79 18.41 18.66 19.16 19.29 19.29 19.45 19.72 20.78 19.86 17.96 18.46 18.40 19.12 20.27 20.75 19.50 17.10 16.51 18.97 20.87 21.14 17.63 16.98 19.31 18.67 20.60 21.28 18.88 18.73 19.19 16.84 21.65 21.30 15.70 18.86 19.06 18.78 19.82 20.40 18.21 19.05 19.45 19.18 22.00 21.91 Decanoic Acid 14.76 15.15 14.90 14.62 13.08 14.27 14.09 13.13 13.52 15.07 14.60 14.80 14.80 15.46 14.92 14.92 14.34 15.26 15.35 14.87 14.89 15.05 13.94 14.61 14.51 14.64 14.46 14.95 13.98 15.01 14.90 14.92 14.60 14.29 15.27 14.26 15.42 14.46 14.97 15.82 15.21 14.20 14.65 14.42 14.38 14.51 15.69 14.57 14.81 14.20 15.94 15.37 13.33 14.32 13.73 14.34 13.61 13.93 14.25 14.92 14.64 14.89 14.52 14.88 15.64 Diethylene Glycol 15.82 16.66 16.38 16.44 15.91 15.14 15.97 15.39 16.17 12.26 15.12 15.06 15.74 12.90 17.68 16.02 16.10 15.61 17.14 13.54 16.79 16.17 16.94 15.97 16.22 15.99 15.68 15.49 16.61 17.38 13.52 16.81 16.68 16.10 16.26 16.48 16.87 17.34 16.28 16.60 15.47 16.18 16.90 16.00 16.16 16.87 17.39 17.37 16.91 Docosanoic Acid 13.36 14.17 14.56 12.95 14.34 13.02 14.59 13.68 14.11 13.86 14.54 13.56 13.50 15.39 14.83 13.42 15.11 13.96 12.43 13.31 13.88 13.00 13.42 13.60 13.32 13.39 14.32 14.25 14.77 16.30 14.10 13.56 12.92 13.72 12.82 12.65 14.27 14.32 13.77 14.02 13.30 14.41 14.20 13.25 14.19 Erythronic Acid 18.61 19.04 18.80 18.59 18.60 18.57 19.36 17.35 17.94 19.08 19.14 19.36 19.44 19.52 19.00 19.64 19.36 19.57 19.35 18.82 19.42 19.74 19.36 19.52 19.12 18.57 19.77 19.20 19.68 19.81 19.71 19.92 22.71 22.78 19.33 19.12 19.62 19.40 19.24 20.20 19.66 19.88 19.56 19.51 18.22 20.05 19.32 19.90 19.36 19.01 20.05 19.78 19.71 19.98 19.94 19.44 20.11 17.91 19.26 19.38 18.08 19.32 19.90 19.50 19.44 19.94 19.83 19.78 20.16 20.08 19.35 19.42 Ethanolamine 17.27 17.86 18.09 17.65 17.82 18.04 18.06 17.75 18.30 17.35 17.96 17.93 18.20 17.82 18.51 18.18 18.07 17.84 18.16 18.31 17.81 17.65 17.66 18.07 18.45 18.62 18.22 18.07 17.61 17.96 18.02 17.98 18.07 18.19 18.16 18.83 18.64 18.44 18.35 18.05 17.18 18.38 17.88 18.37 18.05 18.84 18.63 18.41 18.56 17.58 17.53 18.32 17.69 17.75 18.39 18.23 18.66 18.60 18.09 18.60 Fructose Or Similar Ketohexose 23.05 22.83 22.96 23.36 22.93 23.31 24.30 22.86 23.20 24.01 23.76 24.46 24.42 24.05 24.29 23.73 24.32 23.89 24.71 24.51 23.51 24.73 24.36 23.64 24.21 24.27 23.07 24.20 23.29 24.01 24.55 24.80 24.81 24.86 24.19 24.51 24.34 24.35 23.56 24.27 23.90 24.32 24.64 23.89 23.69 25.00 24.97 25.13 23.86 23.27 24.45 24.70 24.62 24.36 22.49 24.73 24.92 23.83 25.28 24.12 23.28 24.20 23.16 24.15 24.44 24.83 23.86 24.98 22.94 24.91 25.26 25.43 Fumaric Acid 18.08 17.04 18.08 17.41 17.92 17.69 17.18 16.68 17.17 16.54 18.30 18.02 18.64 18.11 18.75 18.29 18.78 17.86 17.39 18.31 17.76 17.53 17.46 17.44 17.11 17.82 17.43 17.12 17.40 17.64 17.40 17.76 17.98 18.06 16.96 17.47 17.06 17.32 17.71 17.37 17.95 17.98 18.06 12.90 18.83 18.32 18.90 17.88 17.97 17.27 18.07 17.38 17.60 18.26 16.89 18.14 15.63 17.79 17.85 16.21 17.34 18.08 17.35 17.08 18.00 18.45 17.75 18.17 18.25 18.21 18.12 Gamma-Hydroxybutyric Acid/Ethylmalonic Acid 14.39 15.17 15.98 14.22 14.67 16.36 15.05 14.15 16.97 14.60 16.23 14.70 14.75 15.86 15.35 16.31 17.06 16.15 16.47 13.90 16.72 16.62 15.49 16.68 16.47 16.25 16.76 16.45 16.63 16.48 16.19 15.14 13.64 16.80 17.00 14.68 16.30 16.56 16.71 13.91 14.50 15.00 15.93 14.71 16.60 16.64 17.07 15.13 16.09 17.20 Gluconic Acid Lactone 28.20 28.15 28.13 28.22 28.30 28.21 28.14 28.60 27.86 28.10 28.28 28.17 28.32 28.17 28.18 28.23 28.09 28.30 28.15 28.20 28.17 28.12 28.20 28.26 28.32 28.16 28.37 28.26 28.11 27.89 28.20 28.36 28.03 28.34 28.20 28.45 28.42 28.19 27.86 28.05 28.31 28.12 28.13 27.83 27.92 28.21 28.35 28.26 28.47 28.40 28.16 28.34 28.17 28.20 28.23 28.21 28.56 28.58 28.20 28.45 28.50 28.23 28.33 28.10 28.15 28.13 28.16 28.27 28.39 28.10 28.36 28.34 Gluconic Acid Or Similar Sugar Acid 18.21 18.33 18.72 18.56 18.07 18.42 18.44 16.82 17.66 17.98 17.78 18.36 18.12 18.55 18.22 18.62 18.08 18.27 18.05 17.86 18.74 18.14 18.21 18.33 18.40 17.79 18.39 18.00 18.52 18.02 17.67 18.69 19.53 18.66 19.37 19.60 18.43 18.47 18.02 17.93 18.27 18.45 18.67 19.01 17.49 19.48 18.78 19.52 18.78 18.43 18.42 18.80 18.67 18.46 19.19 17.23 19.35 16.93 19.47 20.37 17.42 18.00 18.89 18.03 17.40 18.71 19.79 19.06 19.69 20.33 20.78 Glucose And Other Aldohexoses 27.44 27.65 27.69 27.15 27.80 27.53 27.86 27.52 27.55 27.79 27.72 27.73 27.90 27.87 27.80 27.38 27.70 27.68 27.01 27.85 27.66 27.80 27.90 27.79 27.85 27.88 28.00 27.92 27.99 27.51 27.64 28.02 27.95 27.99 27.48 27.16 27.86 27.93 27.47 27.99 27.36 27.91 27.73 27.83 27.67 27.80 27.97 27.91 27.80 27.81 27.88 27.75 28.10 27.65 27.84 28.10 27.19 27.40 28.07 27.85 27.49 28.02 27.97 27.29 28.08 27.95 27.98 27.89 27.90 27.78 27.83 27.88 Glutamic Acid 23.41 22.46 23.61 22.92 23.21 22.98 23.80 22.00 22.53 24.22 23.34 24.22 23.82 24.12 22.98 24.18 24.02 23.88 23.90 23.47 23.45 24.09 23.78 23.56 23.77 23.87 24.00 23.92 24.54 24.44 23.82 23.85 23.78 23.99 24.58 23.73 24.24 24.10 23.96 24.45 24.74 25.29 24.40 23.78 21.90 24.58 24.90 25.36 24.12 24.21 24.06 24.64 24.98 25.06 24.22 23.33 23.89 20.27 24.74 24.78 22.03 24.54 24.39 24.28 24.27 25.41 24.03 23.99 24.09 24.09 25.02 24.82 Glutamine 23.49 22.07 23.88 23.21 23.44 23.81 23.44 21.70 21.27 23.96 23.29 23.76 24.18 23.46 21.21 24.12 23.58 23.83 24.67 24.28 24.72 24.46 24.67 24.14 23.30 22.89 23.54 22.59 24.56 24.12 24.26 23.81 23.32 23.26 25.68 24.79 23.36 22.95 23.14 23.46 25.01 25.12 24.14 22.01 18.81 22.81 25.16 25.34 23.50 23.29 23.35 23.20 25.14 25.23 23.65 22.51 23.57 25.97 25.82 20.66 22.84 23.18 22.33 24.37 24.76 23.45 23.60 23.11 22.75 26.05 25.93 Glyceric Acid 19.56 19.35 19.49 19.41 19.38 19.45 18.77 17.90 18.70 19.06 19.08 19.64 19.44 19.60 19.22 19.56 18.86 19.29 19.11 18.86 19.93 19.14 19.00 19.00 19.05 18.54 19.23 18.58 19.03 18.90 18.69 18.85 18.99 19.30 19.22 18.91 18.85 18.95 18.91 19.15 18.93 19.53 18.89 19.27 18.22 19.63 19.19 19.58 19.12 19.08 18.85 19.19 19.11 19.26 19.41 18.44 19.32 17.84 19.18 19.42 17.87 18.88 19.13 19.10 18.47 19.58 19.52 18.95 19.44 19.38 19.38 19.55 Glycerol 26.02 25.70 25.78 25.39 25.81 25.89 25.73 24.38 24.88 25.64 25.59 25.89 25.40 25.36 24.74 25.50 25.47 25.31 25.59 25.53 24.65 25.62 25.55 25.64 25.59 25.51 25.63 25.33 25.66 25.25 25.04 25.19 25.00 25.08 25.32 24.81 25.87 25.68 25.20 25.32 25.43 25.76 25.63 25.54 24.78 25.97 25.83 25.89 25.80 25.59 25.26 25.58 25.51 25.77 25.45 25.40 25.17 23.97 25.40 25.60 24.91 25.36 25.50 25.31 25.22 25.68 25.70 25.38 25.24 25.07 25.70 25.77 Glycerol 1-Phosphate 15.87 15.58 15.91 15.78 16.76 15.89 16.56 16.00 16.97 15.87 16.29 16.70 16.75 17.91 17.15 17.89 16.69 17.25 17.60 16.61 15.85 16.70 16.26 17.65 17.62 17.92 17.38 16.62 17.10 17.24 16.42 16.99 16.76 16.52 17.93 17.00 18.04 18.64 18.06 18.39 15.63 16.70 17.34 17.08 16.85 18.27 16.86 Glycine 26.49 26.15 26.30 26.44 26.30 26.33 26.07 25.08 25.46 26.23 25.86 26.43 26.26 26.34 25.90 26.66 26.23 26.34 26.23 26.15 26.54 26.38 26.26 26.30 26.31 26.17 26.37 25.96 26.35 26.16 26.03 26.16 25.91 25.93 26.65 25.78 26.41 26.32 25.91 26.20 26.27 26.70 26.45 25.92 24.61 26.51 26.65 26.89 26.37 26.64 26.15 26.31 26.47 26.48 26.29 25.94 26.18 23.69 26.60 26.65 25.13 26.29 26.42 26.06 26.16 26.71 26.53 26.41 26.36 26.09 26.71 26.78 Glycolic Acid 18.84 18.73 18.63 18.58 18.75 18.88 17.38 18.13 19.06 17.92 18.87 17.14 18.89 19.14 18.40 18.87 18.58 18.87 19.14 16.03 18.61 18.26 18.87 18.99 17.73 19.03 18.61 18.92 19.04 19.37 18.59 18.36 18.47 19.23 19.08 19.22 18.84 19.30 19.03 19.30 19.05 18.30 19.05 17.54 19.45 19.22 18.58 19.00 18.70 18.78 19.35 18.84 18.83 18.69 18.86 19.30 19.14 Guanine 17.72 15.30 17.44 18.58 16.49 17.62 15.51 16.47 16.88 16.31 16.82 15.64 15.72 16.37 15.50 16.49 15.31 16.85 17.28 15.52 15.95 16.58 16.73 15.97 16.91 16.82 Heptadecanoic Acid/Octadecanol 19.45 19.31 19.79 19.71 19.51 20.08 18.84 19.52 19.31 18.86 19.16 19.63 19.39 19.73 19.61 19.77 19.47 19.54 19.43 19.44 20.32 19.88 19.81 19.88 19.61 19.14 20.19 19.31 20.16 19.67 19.48 19.79 19.72 19.95 19.89 19.84 19.58 19.44 19.46 19.01 19.66 19.57 19.48 19.59 19.94 20.13 19.93 19.01 19.71 19.97 19.38 19.84 19.75 19.44 19.77 19.63 20.10 20.19 19.39 19.88 19.98 18.78 19.97 19.34 19.67 19.74 19.59 19.33 19.76 20.14 19.48 19.80 Histidine 24.70 24.20 22.84 23.35 25.04 23.59 23.04 23.19 25.55 25.41 24.31 25.03 23.64 23.24 23.53 23.83 24.00 24.56 24.14 24.23 23.27 23.98 23.90 25.27 24.19 24.32 23.25 22.69 23.46 23.93 24.20 24.33 Homocysteine 12.42 12.73 14.12 14.52 13.99 14.59 14.17 15.08 15.94 15.76 14.99 14.50 14.92 14.94 16.42 16.87 14.30 15.92 16.79 Hydroquinone 16.21 17.95 17.59 15.99 17.76 17.15 16.36 17.14 17.72 16.76 17.22 17.07 16.46 17.35 16.74 17.36 17.43 17.70 17.06 16.44 16.36 16.53 16.61 16.81 17.37 16.52 16.88 18.16 17.49 17.90 17.13 16.48 16.88 17.73 17.02 18.03 17.47 17.34 18.77 17.21 17.91 18.13 16.81 17.44 17.44 17.59 18.28 17.91 17.76 16.69 17.16 18.47 17.93 19.09 17.00 16.34 18.17 16.13 16.82 17.00 17.79 16.72 16.98 18.86 16.94 18.72 17.59 16.59 17.03 17.92 17.34 17.22 Hydroxyprolines 16.83 17.27 17.18 17.05 17.11 17.21 17.01 17.26 17.40 17.12 17.58 17.26 18.04 17.48 17.20 17.83 17.43 17.50 17.34 17.01 17.64 17.79 17.26 17.54 17.74 17.88 17.28 17.21 17.28 17.66 18.02 17.09 17.56 17.00 17.66 16.90 17.44 17.18 17.74 17.90 17.94 16.84 17.83 17.46 17.44 17.72 17.08 16.63 18.08 17.55 16.98 18.01 17.74 17.60 17.79 Isoleucine 24.53 24.33 24.60 24.63 24.49 24.55 24.43 23.67 24.05 24.48 23.93 24.51 24.37 24.56 24.99 25.24 24.33 24.99 24.61 24.40 25.30 24.78 24.60 24.75 25.00 24.70 25.08 24.83 25.41 24.94 24.72 25.06 25.15 25.19 25.73 24.89 24.92 24.82 24.84 25.04 25.15 25.41 25.13 25.10 24.03 25.50 25.44 25.63 24.76 25.27 24.88 25.18 25.33 25.11 25.17 24.68 25.25 23.93 25.45 25.61 23.42 24.83 25.10 24.91 24.79 25.39 25.14 25.18 25.51 25.32 25.43 25.60 Isomaltose Or Similar Disaccharide 21.07 20.53 20.46 21.40 20.72 20.96 20.69 18.78 19.39 20.21 19.88 21.22 20.68 21.13 20.72 21.22 20.73 20.97 20.94 20.74 21.39 21.23 20.99 21.05 21.01 20.77 21.16 20.69 21.24 20.32 20.58 20.96 20.85 21.19 21.50 20.52 21.14 20.99 20.26 20.87 20.88 21.06 21.11 20.56 19.38 21.63 21.24 21.49 21.28 21.35 20.77 21.22 21.15 20.24 21.14 20.82 21.14 19.26 21.27 21.46 19.08 20.87 20.95 20.67 20.43 21.27 21.41 21.10 21.36 21.16 21.55 21.53 Lactic Acid 27.75 27.42 25.89 27.47 27.96 27.36 27.80 27.69 26.93 27.58 27.44 26.94 27.01 27.12 27.69 26.37 26.95 27.95 27.46 27.10 26.92 27.44 27.13 27.47 27.27 27.27 27.49 26.90 27.21 27.09 27.70 27.04 26.73 27.13 27.31 27.26 27.30 27.31 26.96 27.09 27.52 26.45 27.22 27.55 28.14 27.27 26.95 27.54 26.87 26.32 27.07 26.94 27.43 26.07 27.29 27.03 27.29 27.09 27.05 27.05 27.48 27.41 27.14 27.17 27.19 26.58 27.36 27.12 26.79 27.42 26.50 26.97 Lactose Or Similar Disaccharide 18.60 18.82 20.52 18.75 18.72 18.81 18.71 16.84 18.40 18.93 17.99 14.70 18.04 18.77 19.76 19.73 17.72 21.22 18.15 16.66 23.42 18.19 18.51 16.76 19.12 18.68 18.91 18.40 18.87 18.77 18.21 18.41 18.56 18.35 17.67 18.85 18.89 14.88 18.79 17.44 16.50 18.59 16.56 17.74 19.21 19.57 16.84 18.53 19.06 18.87 15.46 18.57 17.55 18.10 17.96 18.69 17.99 18.02 19.13 18.66 18.88 17.51 15.36 19.11 19.04 19.20 18.85 17.37 15.33 Lauric Acid 16.27 16.70 17.31 16.90 16.73 16.56 17.17 17.08 17.63 17.60 17.74 17.82 17.65 17.86 17.73 18.37 18.07 18.55 18.05 17.69 17.79 18.03 18.76 18.11 17.73 17.85 18.60 Leucine 24.72 24.41 24.58 24.91 24.43 24.67 24.46 23.36 23.96 24.48 23.94 24.73 24.68 24.70 25.01 25.19 24.23 24.94 24.66 24.50 25.34 24.74 24.81 24.95 25.02 24.63 25.35 24.73 25.27 24.95 24.77 25.02 25.05 25.19 25.60 24.91 24.93 24.78 24.81 25.07 25.13 25.27 25.05 25.09 24.16 25.57 25.32 25.58 24.84 25.23 24.87 25.03 25.37 25.13 25.06 24.72 25.23 23.62 25.43 25.62 23.62 24.82 24.97 24.77 24.72 25.30 25.30 25.14 25.64 25.36 25.45 25.61 Lysine 26.15 25.54 26.01 25.82 25.77 25.88 26.25 24.86 25.12 26.34 26.07 26.29 26.13 26.26 25.65 26.31 26.34 26.10 26.35 26.28 25.98 26.57 26.48 26.29 26.03 26.05 26.13 26.10 26.33 26.60 26.58 26.69 26.69 26.77 26.96 26.46 26.41 25.96 25.82 26.56 26.80 26.98 26.71 26.13 25.14 26.29 27.00 27.05 26.19 25.83 26.63 26.02 26.95 26.96 26.38 26.50 26.28 24.89 27.12 25.18 24.98 26.68 26.18 26.09 26.74 27.05 25.95 26.40 26.55 26.52 25.00 27.25 Maleamic Acid 15.36 20.91 14.98 13.69 12.96 13.48 15.26 Malic Acid 20.60 19.96 20.72 19.85 20.59 20.05 20.42 19.17 19.52 20.57 19.85 21.13 20.39 21.13 20.74 21.37 20.95 21.12 20.63 19.99 20.97 20.46 19.67 20.26 20.48 20.46 20.80 20.34 20.65 20.60 19.76 20.20 20.24 20.46 20.60 19.83 20.68 20.70 20.23 20.40 20.43 20.85 20.18 20.47 18.92 21.31 20.34 21.17 20.70 20.86 20.49 21.04 20.64 20.96 20.74 19.86 20.26 20.36 20.48 19.16 20.59 20.84 20.29 20.23 21.31 20.89 20.30 20.85 20.83 20.79 20.44 Maltose Or Similar Disaccharide 21.21 20.72 20.96 21.25 20.90 20.95 21.02 19.74 20.27 21.20 20.76 21.82 21.23 21.59 21.05 21.73 21.52 21.78 21.42 21.19 21.84 21.49 21.49 21.53 21.17 21.26 21.54 21.10 21.40 21.14 21.12 21.27 21.24 21.54 21.70 21.45 21.23 21.33 21.30 20.46 21.34 21.40 20.83 20.40 22.04 21.86 21.66 21.65 21.77 21.22 21.91 21.62 21.50 21.62 21.39 21.55 20.11 21.60 21.16 20.04 21.36 21.64 21.34 21.14 22.01 21.88 21.51 21.92 21.79 21.12 21.16 Methionine 22.90 22.29 22.40 23.24 22.13 22.79 22.44 20.87 21.55 22.14 21.42 22.95 23.32 23.60 23.54 23.88 23.16 23.64 23.38 23.25 24.21 23.46 23.49 23.57 22.49 21.88 22.81 22.04 22.58 21.64 23.23 23.54 23.55 23.54 23.77 22.94 23.07 22.58 22.19 22.39 22.09 22.26 23.55 23.45 22.31 24.02 23.71 23.78 23.49 22.80 22.23 23.21 22.59 22.04 23.52 23.22 23.69 21.82 23.62 23.84 21.37 22.32 22.52 22.26 20.95 21.83 23.88 23.62 23.74 23.62 23.67 23.85 Methionine Sulfoxide 19.14 18.18 18.77 19.61 18.73 19.19 19.61 17.42 17.31 19.51 19.05 19.44 19.16 19.53 19.55 19.40 20.06 19.86 19.61 19.84 19.18 19.79 19.57 20.35 17.11 19.59 19.61 18.25 20.40 20.65 16.78 16.71 19.50 19.88 19.29 20.55 20.99 17.47 17.88 Myoinositol 25.31 25.26 25.32 25.54 25.19 25.36 25.12 24.09 24.57 25.02 24.84 25.39 25.16 25.36 25.19 25.51 25.02 25.38 25.23 25.11 25.75 25.47 25.34 25.55 25.35 25.10 25.44 25.07 25.54 25.06 25.16 25.27 25.41 25.60 25.76 25.29 25.55 25.37 25.15 25.35 25.38 25.63 25.38 25.41 24.62 25.83 25.68 25.83 25.48 25.48 25.22 25.35 25.10 25.48 25.62 25.05 25.69 24.34 25.58 25.67 24.55 25.08 25.39 25.19 24.92 25.61 25.64 25.47 25.68 25.56 25.74 25.84 N-Acetylleucine 16.87 15.27 16.42 18.17 16.18 16.89 17.20 15.99 15.52 16.28 16.43 16.34 16.37 17.76 15.66 16.87 16.55 16.49 16.09 18.36 16.85 15.85 18.25 16.58 15.65 17.61 16.80 17.49 N-Methylglutamic Acid 19.23 18.79 19.73 20.47 18.23 19.48 18.65 19.16 20.30 19.78 18.56 20.69 21.01 21.22 21.05 22.02 20.86 21.57 21.55 22.09 23.90 21.52 22.61 22.38 19.95 18.44 19.68 18.48 19.73 18.75 21.75 21.56 22.06 22.18 22.26 22.57 20.41 19.40 19.73 19.65 20.19 20.22 22.06 22.37 21.07 22.30 22.12 22.63 22.07 19.08 21.83 19.47 18.15 22.38 20.04 22.43 21.10 22.45 22.64 19.11 19.09 17.57 18.54 22.20 21.70 21.97 22.06 22.45 22.66 N1-Methyltryptamine 14.46 14.43 14.95 15.14 15.55 14.64 14.19 14.53 14.15 14.73 14.80 14.58 14.78 14.74 14.65 14.60 14.68 14.86 15.19 15.21 14.51 14.44 14.99 15.39 14.56 14.63 14.56 14.93 14.95 15.07 15.26 14.52 15.52 14.91 15.51 15.36 14.82 15.44 14.81 14.17 14.06 15.43 15.35 15.67 14.54 14.83 15.16 14.88 15.46 15.64 14.83 15.31 15.09 15.07 14.22 14.30 14.95 14.85 15.36 15.08 15.05 14.89 15.13 15.18 15.37 15.15 Nicotinamide 19.59 19.89 19.59 20.22 19.30 19.96 20.21 19.77 20.20 20.63 20.58 20.52 20.46 20.22 20.44 21.04 20.48 20.49 20.30 20.66 20.89 20.74 20.12 20.63 20.40 20.87 20.18 20.34 20.62 20.40 20.37 21.09 20.09 20.32 20.46 20.40 20.33 20.55 21.15 20.82 20.45 19.25 21.02 21.03 21.31 20.86 20.31 20.29 20.82 20.70 20.83 20.90 20.17 20.31 19.73 20.83 21.15 19.46 19.59 20.38 19.25 21.10 21.09 20.71 19.71 20.61 21.05 21.26 Nonanoic Acid 14.96 16.33 15.37 15.56 14.49 16.00 15.68 15.35 16.08 15.18 15.74 14.83 16.67 16.82 15.66 16.50 16.66 16.65 15.61 16.23 16.90 15.57 16.75 16.09 16.41 16.60 16.32 17.26 15.34 16.04 15.52 15.11 14.96 16.19 15.50 16.60 16.39 15.62 16.08 15.87 14.60 15.56 16.82 16.73 17.16 15.95 17.18 16.54 16.19 17.32 16.71 16.49 16.88 15.82 17.02 16.67 16.92 16.78 16.32 16.64 16.86 15.61 15.41 15.79 15.40 17.29 O-Methylphosphate 11.88 12.85 Ornithine 20.59 20.58 20.35 20.27 19.97 20.31 20.63 18.73 19.40 20.24 19.93 20.51 20.36 20.42 20.74 20.74 19.95 20.70 20.55 20.08 20.66 20.69 20.23 20.51 20.70 20.27 20.95 20.41 20.65 20.28 20.40 20.33 20.63 20.87 20.50 19.93 21.09 20.47 20.25 20.72 20.23 20.60 20.85 20.77 19.63 21.42 20.37 20.72 21.01 20.76 20.47 20.85 20.39 20.20 21.02 20.18 20.94 18.87 20.28 20.58 19.83 20.32 20.94 20.57 19.98 20.63 21.20 20.70 21.30 21.16 20.36 20.69 Pantothenic Acid 22.35 22.01 22.25 22.50 22.15 22.28 22.07 20.93 21.39 22.04 21.70 22.31 22.12 22.42 22.31 22.63 22.10 22.43 22.32 22.14 22.76 22.32 22.30 22.35 22.24 22.07 22.56 22.08 22.62 22.00 22.00 22.23 22.27 22.55 22.81 22.05 22.45 22.33 22.01 22.29 22.35 22.74 22.36 22.27 21.39 22.94 22.70 22.90 22.43 22.48 22.10 22.48 22.53 22.45 22.61 21.99 22.65 20.92 22.63 22.79 21.18 22.17 22.38 22.25 21.90 22.65 22.71 22.35 22.79 22.65 22.87 22.84 Pentitols 16.75 17.00 17.69 17.96 17.17 17.64 17.31 16.63 17.67 17.65 16.75 17.71 17.18 18.30 18.24 18.22 17.88 18.07 17.94 17.17 17.79 18.48 17.61 17.57 17.30 17.23 18.68 18.05 18.50 18.00 18.38 18.17 18.55 19.67 18.63 17.69 17.95 17.70 18.38 17.77 18.45 18.19 18.32 18.35 18.12 18.51 17.98 19.00 17.44 17.72 18.37 18.12 18.52 18.29 18.40 18.07 19.36 18.27 17.60 18.80 17.43 17.92 17.96 18.33 17.92 18.34 18.83 18.04 19.73 19.58 18.11 18.81 Pentonic Acids 16.48 18.48 17.19 17.11 16.72 17.04 17.53 16.14 15.89 17.30 16.80 17.83 17.21 17.67 17.31 17.12 17.64 17.73 17.24 17.64 17.82 17.26 17.69 17.15 17.45 17.89 17.55 18.01 17.60 17.05 17.81 18.22 17.85 17.57 17.47 17.54 17.38 17.69 17.65 17.62 17.92 17.38 18.24 17.10 18.28 17.80 17.27 17.32 17.93 18.04 18.64 18.13 16.51 18.24 18.06 18.39 16.70 17.68 17.64 17.65 17.34 18.41 18.23 17.57 18.26 18.27 Phenyl-Beta-Glucopyranoside 20.54 22.04 22.66 21.02 20.13 20.96 19.16 20.79 21.61 21.60 20.75 21.73 22.36 21.19 21.31 20.83 22.06 21.29 21.59 20.99 22.45 22.23 21.71 21.82 21.75 20.10 22.04 22.13 22.04 21.99 21.87 20.03 21.98 22.64 20.58 22.07 21.19 21.55 23.41 22.19 23.30 22.85 21.61 23.36 23.77 22.06 22.15 21.96 22.65 21.19 21.61 23.00 22.81 22.09 21.68 17.44 23.05 23.75 20.58 20.55 21.35 21.26 21.67 23.41 21.69 22.36 22.04 20.61 21.65 22.69 21.22 21.37 Phenylalanine 24.73 24.03 24.70 24.88 24.45 24.58 24.81 22.99 23.61 25.02 24.36 25.16 25.01 25.00 24.44 25.36 25.06 24.96 25.30 25.11 25.13 25.57 25.43 25.37 24.92 24.83 25.09 24.74 25.65 25.08 25.33 25.49 25.42 25.17 26.20 25.44 25.20 25.03 24.84 25.26 25.62 26.08 25.57 25.28 23.82 25.73 26.13 26.38 25.07 25.10 24.98 25.31 25.88 25.79 25.45 25.07 25.51 23.34 26.26 26.34 23.20 25.11 25.17 24.90 24.92 26.04 25.41 25.58 25.80 25.62 26.45 26.45 Phenylpyruvate 14.41 15.42 16.53 15.55 16.26 16.77 16.97 16.07 15.35 16.07 16.17 16.65 15.51 16.21 17.40 16.92 16.48 17.31 16.89 15.46 16.41 15.55 16.69 14.56 15.28 15.87 Phosphoric Acid 21.84 22.10 21.85 21.57 21.11 20.78 23.97 22.42 22.58 21.70 21.19 22.04 21.35 21.27 20.59 21.50 21.90 21.19 20.96 22.09 24.21 23.23 21.95 21.10 22.30 21.21 21.28 21.90 23.88 22.51 21.85 23.78 22.19 21.97 24.52 21.09 21.40 21.53 23.60 22.45 22.53 22.52 21.06 20.94 20.80 20.97 21.35 22.14 21.42 21.77 21.91 22.23 21.67 21.85 21.85 20.30 20.73 20.04 20.88 21.98 22.20 21.44 21.48 23.36 22.55 22.94 22.27 21.77 20.23 21.03 20.95 20.69 Proline 20.76 20.48 20.40 20.66 20.15 20.43 20.46 16.85 18.08 20.45 19.69 20.91 20.10 20.15 19.14 20.31 20.48 19.66 20.40 19.96 20.86 20.37 20.12 20.20 19.58 19.62 20.14 19.35 19.68 19.27 19.41 19.28 19.52 19.73 19.75 18.70 20.25 20.02 18.99 19.69 19.45 20.38 19.82 19.67 20.53 19.94 20.38 20.30 19.37 19.37 19.79 19.75 20.55 20.13 19.42 20.02 19.87 20.10 18.29 19.70 19.53 19.57 19.32 20.60 20.87 19.81 20.21 20.21 20.45 20.51 Pseudouridine 17.36 17.22 17.83 18.84 18.11 18.92 17.55 17.40 17.70 17.09 16.41 18.99 16.57 17.94 17.66 18.51 16.85 17.76 18.67 18.98 16.78 15.68 17.99 17.48 Putrescine 15.12 15.20 14.81 14.98 14.86 14.45 15.00 13.16 13.59 15.16 14.23 15.38 15.16 15.49 15.27 15.42 15.00 15.35 15.33 14.71 15.62 15.22 14.93 14.72 15.12 14.89 15.25 14.82 14.94 14.50 14.97 14.89 15.37 15.39 15.05 14.08 15.38 15.15 14.67 15.27 15.06 15.01 15.18 15.15 14.10 15.77 15.19 15.57 15.33 15.69 14.90 15.48 15.23 15.36 15.69 14.95 15.21 13.67 14.82 15.37 14.01 15.27 15.69 15.29 15.08 15.61 15.79 15.41 15.59 15.54 15.32 15.29 Pyridine-2,6-Dicarboxylic Acid 14.69 16.37 17.04 16.59 16.74 16.38 16.86 15.73 16.16 17.07 17.05 17.80 16.91 17.34 16.42 17.23 17.02 15.81 16.08 17.18 16.87 16.67 16.66 16.84 17.07 17.35 17.75 16.74 16.88 15.92 16.63 16.76 17.24 16.21 16.95 17.08 17.82 16.79 17.69 15.67 17.22 16.40 16.64 17.19 17.70 16.94 15.16 16.34 15.83 15.92 17.40 17.29 17.30 17.14 16.78 17.43 17.33 17.56 Pyridoxine 16.98 19.07 20.42 21.22 21.20 20.78 20.64 16.88 21.58 21.32 20.34 18.44 19.02 20.82 21.09 20.23 19.65 22.69 17.73 20.71 20.98 Pyruvic Acid 22.23 20.88 21.27 22.09 21.41 21.48 21.24 19.28 20.11 21.77 20.84 21.48 22.44 21.46 23.82 23.49 22.21 22.55 21.99 22.15 21.92 21.57 22.96 21.32 21.37 20.96 20.99 21.38 21.72 21.64 20.17 20.45 20.26 20.81 21.14 23.23 21.40 21.49 20.74 21.83 22.39 21.05 21.08 21.33 22.03 23.50 20.41 20.51 20.07 21.48 21.23 23.24 21.77 21.31 20.15 23.09 20.63 22.79 22.45 22.47 19.42 21.97 21.79 21.14 22.46 21.67 23.17 23.03 20.79 20.40 23.48 22.67 Serine 25.71 25.62 25.59 25.84 25.57 25.63 25.28 24.34 24.97 25.42 25.05 25.78 25.72 25.84 25.55 26.15 25.38 25.95 25.56 25.36 26.08 25.70 25.81 25.76 25.80 25.36 25.90 25.05 25.81 25.20 25.21 25.59 25.30 25.38 26.07 25.11 25.64 25.62 25.24 25.38 25.55 26.11 25.71 25.36 23.78 25.96 25.94 26.14 25.81 25.97 25.27 25.63 25.79 25.77 25.86 25.18 25.63 22.29 25.98 26.10 24.38 25.52 25.70 25.21 25.15 25.97 25.82 25.67 25.61 25.34 26.15 26.32 Spermidine 14.24 13.92 13.86 14.51 14.62 13.59 14.64 14.14 14.65 Stearic Acid 25.44 25.52 25.65 25.80 25.59 25.99 25.20 25.71 25.48 25.20 25.41 25.59 25.32 25.76 25.70 25.92 25.57 25.74 25.64 25.54 26.18 25.65 25.64 25.66 25.58 25.17 26.02 25.55 26.08 25.94 25.39 25.50 25.84 25.91 25.91 26.04 25.70 25.65 25.67 25.29 25.91 25.88 25.47 25.74 25.96 26.00 26.14 26.14 25.71 26.07 25.40 25.86 26.16 25.77 25.82 25.81 26.12 26.32 26.05 26.24 26.04 25.08 25.98 25.58 25.81 26.02 25.88 25.51 26.06 26.02 26.23 25.97 Succinic Acid 22.05 21.64 22.21 21.70 22.15 22.04 21.81 20.80 21.22 21.78 21.48 22.33 21.63 21.82 21.67 22.41 21.77 22.18 21.53 21.19 22.03 21.72 21.32 21.52 22.04 21.68 22.04 21.83 22.11 21.91 21.43 21.54 21.39 21.57 21.90 21.17 22.09 21.74 21.80 22.18 21.95 22.57 21.46 21.54 20.49 22.20 21.91 22.38 21.59 22.59 21.90 22.01 22.25 22.30 21.88 21.09 21.91 20.91 21.72 21.72 21.11 21.74 22.61 22.11 21.63 22.78 22.13 21.48 22.10 22.00 21.95 22.04 Sucrose And Similar Disaccharides 17.95 17.08 18.34 18.33 18.25 15.70 15.72 18.04 18.33 16.60 16.48 20.36 15.76 16.50 17.76 18.18 15.59 17.79 16.38 18.79 16.40 19.36 17.55 17.16 18.46 17.91 18.15 17.32 17.56 16.45 17.36 18.87 17.39 17.62 16.68 17.48 17.95 19.59 19.23 18.83 18.86 19.03 19.97 16.91 18.70 19.45 19.08 19.17 20.03 18.29 20.14 20.06 19.75 18.91 18.71 19.46 19.13 19.57 20.76 15.68 19.10 18.33 17.39 19.09 19.11 17.65 18.05 17.67 16.09 19.52 19.06 Tartaric Acid 13.81 14.90 14.63 14.92 15.08 15.02 15.34 15.36 13.92 14.63 14.81 14.06 15.27 15.18 15.47 15.12 15.48 15.00 14.98 15.59 15.57 15.96 Tetradecanedioic Acid 13.02 13.44 12.58 14.24 15.87 14.35 14.05 13.79 Threitol/Erythritol 20.20 19.66 20.40 20.36 20.25 20.32 19.79 18.70 19.75 20.04 19.59 20.31 20.49 20.50 20.49 20.92 20.29 20.80 20.43 20.00 20.87 20.51 20.19 20.27 20.12 19.87 20.44 20.13 20.44 20.38 20.46 20.25 20.63 20.73 20.73 20.28 20.31 20.00 20.09 20.40 20.19 20.85 20.35 20.14 19.76 20.86 20.50 20.98 20.19 20.05 20.15 20.56 20.30 20.63 20.77 20.05 20.84 19.85 20.58 20.67 19.52 19.99 20.44 20.36 19.93 20.86 21.00 20.38 20.99 20.85 20.73 20.72 Threonic Acid 18.74 18.30 19.12 18.09 18.78 18.80 18.51 17.06 18.01 18.51 18.26 18.70 18.86 18.80 18.60 19.15 19.17 19.18 18.96 18.55 19.46 19.24 18.93 18.83 18.14 19.11 18.53 19.40 19.45 18.97 19.45 19.62 20.31 19.34 18.49 18.94 19.28 19.74 20.20 18.99 18.70 20.09 20.42 18.64 18.36 18.91 19.20 19.54 19.61 19.22 19.32 20.08 20.33 17.99 18.94 18.85 20.02 19.45 20.41 19.80 Threonine 25.93 25.83 25.94 26.16 25.86 25.81 25.82 25.15 25.62 25.77 25.54 26.01 25.97 26.01 26.39 26.52 25.89 26.21 25.97 25.92 26.49 26.22 26.29 26.25 26.19 26.02 26.54 26.12 26.77 26.31 26.09 26.46 26.43 26.45 27.06 26.16 26.28 26.21 26.19 26.28 26.58 26.90 26.50 26.40 25.09 26.85 26.84 27.01 26.25 26.66 26.27 26.57 26.76 26.61 26.46 26.14 26.63 23.93 26.71 26.91 25.39 26.16 26.56 26.31 26.24 26.84 26.55 26.54 26.66 26.52 26.80 27.03 Threose/Erythrose 14.10 16.57 16.22 15.63 15.15 14.79 14.52 13.96 14.87 15.03 15.44 15.93 17.46 15.74 15.50 16.55 15.84 15.53 16.11 15.72 15.90 15.96 15.77 14.53 14.79 14.85 13.24 16.05 15.81 15.75 16.32 15.84 16.71 15.74 14.53 15.79 13.98 15.68 15.24 15.66 17.90 16.12 16.27 15.79 16.08 16.49 14.68 16.17 15.90 15.66 16.30 15.52 16.30 16.76 16.22 16.42 14.01 14.94 14.55 15.75 16.36 16.09 16.26 16.32 16.40 Trisaccharide 18.16 17.91 18.52 17.50 18.45 18.26 18.50 16.89 17.46 18.62 18.28 19.70 18.58 19.35 18.59 19.42 19.16 19.62 18.52 18.07 18.89 18.73 18.27 18.76 18.04 18.57 18.84 18.57 18.17 18.36 18.21 17.80 18.44 18.49 18.59 16.94 19.03 18.81 18.48 17.43 18.54 19.40 18.76 18.34 16.72 19.15 19.68 19.50 18.75 19.60 18.76 18.92 19.01 18.04 18.35 18.39 18.53 17.74 19.01 19.36 18.68 18.21 19.60 19.19 18.32 19.00 19.00 19.07 18.96 Tryptophan 22.68 22.34 23.17 23.01 23.23 23.18 23.39 19.64 20.53 23.49 22.83 23.69 23.35 22.83 21.49 23.85 23.67 23.58 23.36 23.37 23.44 23.85 23.81 23.78 22.99 22.38 22.96 22.91 23.86 23.42 23.27 23.60 23.13 23.44 24.84 23.89 23.25 23.06 23.05 23.08 23.68 24.59 23.74 21.25 19.26 23.91 24.64 25.02 22.90 22.58 22.92 23.61 24.27 24.27 23.77 21.76 23.50 24.78 25.01 19.05 22.90 22.82 23.05 23.14 24.47 23.35 22.88 23.64 23.48 24.96 25.05 Tyrosine 25.62 24.97 25.49 25.86 25.36 25.54 25.86 24.33 24.57 26.13 25.54 25.99 25.90 25.87 25.35 25.96 25.97 25.89 26.11 25.92 26.24 26.44 26.29 26.14 25.69 25.79 25.89 25.86 26.40 26.15 26.28 26.27 26.37 26.48 26.79 26.19 26.00 26.08 25.94 26.44 26.51 26.74 26.36 25.90 24.72 26.37 26.79 27.01 25.82 25.80 26.22 26.22 26.75 26.77 26.39 26.10 26.24 24.45 26.97 26.84 24.45 26.28 26.07 26.15 26.35 26.81 26.01 26.26 26.44 26.28 26.87 26.77 Uracil 16.85 16.92 17.09 16.99 16.89 16.79 13.61 15.71 15.11 14.36 15.95 15.81 15.94 15.62 16.84 15.59 16.41 15.65 15.29 17.44 15.70 15.80 15.11 15.41 13.73 14.84 15.07 14.85 14.98 14.88 15.23 15.49 14.57 13.14 14.81 14.30 14.68 14.78 16.06 15.40 13.72 15.67 15.58 16.41 15.47 14.77 15.49 15.28 15.51 15.52 15.44 15.67 15.01 13.69 15.60 16.06 15.22 15.70 15.32 16.15 Urea 21.40 21.00 21.86 21.64 21.39 21.64 21.03 19.81 20.59 21.52 20.88 21.61 21.69 21.80 21.10 22.01 21.62 22.10 21.70 21.50 22.12 21.89 21.89 21.67 21.32 20.93 21.47 21.29 21.81 21.53 21.69 21.55 21.69 21.86 22.10 21.80 21.46 21.11 21.51 21.42 21.88 22.42 21.60 20.74 20.11 21.62 21.88 22.40 21.39 21.29 21.34 21.63 21.87 22.15 21.96 21.22 22.08 19.57 22.13 22.17 20.18 20.87 21.50 21.51 21.19 22.14 22.08 21.69 22.03 21.83 22.14 22.29 Uric Acid 16.92 16.87 17.44 14.06 15.56 14.95 14.30 14.03 Valine 25.22 24.00 25.02 25.38 23.54 24.96 24.76 23.79 24.23 24.94 24.30 24.34 24.48 23.82 24.37 24.22 24.28 23.91 24.57 24.21 25.38 24.85 24.27 23.85 23.71 24.70 24.10 23.80 24.44 24.13 24.45 23.75 24.28 24.78 24.60 24.33 23.70 24.70 24.47 24.01 24.14 24.10 23.74 23.71 23.25 23.81 24.52 24.60 23.88 23.70 24.34 24.66 24.33 24.38 24.51 24.88 24.43 23.12 24.85 24.78 23.23 24.08 24.00 23.92 24.42 24.20 24.26 24.38 24.93 24.84 24.37 24.25 Willardiine 13.37 12.60 13.91 13.58 14.30 13.61 13.43 14.18 14.24 12.82 15.39 15.14 14.87 15.47 12.56 14.13 14.28 12.85 14.14 13.59 13.55 13.78 14.42 14.38 Xanthine 16.54 16.37 16.90 14.83 15.88 18.39 15.99 16.80 metabolite_name retention index quantified m/z PubChem ID KEGG ID CAS 5,6-Dihydrouracil 504-07-4 1-Dodecanol 112-53-8 1,2-Propanediol 57-55-6 1,3-Dihydroxyacetone 96-26-4 2-Amino-2-Methyl-1,3-Propanediol 115-69-5 2-Ethylhexanoic Acid 149-57-5 2-Hydroxy-3-Methylvaleric Acid 488-15-3 2-Hydroxybutyric Acid 565-70-8 2-Hydroxyglutaric Acid 13095-48-2 2-Isopropylmalic Acid 16048-89-8 2-Ketoleucine/Ketoisoleucine 816-66-0 2-Ketovaline 759-05-7 2-Phenylacetamide 103-81-1 2-Phenylacetic Acid 103-82-2 3- Or 4-Methylcatechol 452-86-8 3-Indolelactic Acid 1821-52-9 3-Phenyllactic Acid 828-01-3 4-Hydroxy-3-Methoxybenzoic Acid 121-34-6 4-Hydroxybenzaldehyde 123-08-0 4-Hydroxymandelic Acid 7198-10-9 4-Hydroxyphenylacetic Acid 156-38-7 4-Hydroxypyridine 626-64-2 4-Methyl-5-Thiazoleethanol 137-00-8 5-(Hydroxymethyl)Furfural 67-47-0 5-Aminovaleric Acid 660-88-8 5-Hydroxylysine 1190-94-9 Adenine 73-24-5 Alanine 56-41-7 Aldopentoses 147-81-9 Alpha Ketoglutaric Acid 328-50-7 Aminomalonic Acid 1068-84-4 Arachidic Acid 506-30-9 Asparagine 70-47-3 Aspartic Acid 56-84-8 Benzene-1,2,4-Triol 533-73-3 Benzoic Acid 65-85-0 Beta-Alanine 107-95-9 Cholesterol 57-88-5 Citramalic Acid 6263-10-8 Citric Acid/Isocitric Acid 5949-29-1 Citrulline 372-75-8 Decanoic Acid 334-48-5 Diethylene Glycol 111-46-6 Docosanoic Acid 112-85-6 Erythronic Acid 13752-84-6 Ethanolamine 141-43-5 Fructose Or Similar Ketohexose 57-48-7 Fumaric Acid 110-17-8 Gamma-Hydroxybutyric Acid/Ethylmalonic Acid 502-85-2 Gluconic Acid Lactone 90-80-2 Gluconic Acid Or Similar Sugar Acid 526-95-4 Glucose And Other Aldohexoses 50-99-7 Glutamic Acid 56-86-0 Glutamine 56-85-9 Glyceric Acid 473-81-4 Glycerol 56-81-5 Glycerol 1-Phosphate 34363-28-5 Glycine 56-40-6 Glycolic Acid 79-14-1 Guanine 73-40-5 Heptadecanoic Acid/Octadecanol 506-12-7 Histidine 5934-29-2 Homocysteine 6027-13-0 Hydroquinone 123-31-9 Hydroxyprolines 51-35-4 Isoleucine 443-79-8 Isomaltose Or Similar Disaccharide 499-40-1 Lactic Acid 79-33-4 Lactose Or Similar Disaccharide 63-42-3 Lauric Acid 143-07-7 Leucine 61-90-5 Lysine 56-87-1 Maleamic Acid 557-24-4 Malic Acid 617-48-1 Maltose Or Similar Disaccharide 69-79-4 Methionine 63-68-3 Methionine Sulfoxide 3226-65-1 Myoinositol 87-89-8 N-Acetylleucine 1188-21-2 N-Methylglutamic Acid 6753-62-4 N1-Methyltryptamine 7518-21-0 Nicotinamide 98-92-0 Nonanoic Acid 112-05-0 O-Methylphosphate 812-00-0 Ornithine 70-26-8 Pantothenic Acid 137-08-6 Pentitols 488-82-4 Pentonic Acids 17812-24-7 Phenyl-Beta-Glucopyranoside 1464-44-4 Phenylalanine 156-06-9 Phenylpyruvate 7664-38-2 Phosphoric Acid 147-85-3 Proline 552-59-0 Pseudouridine 1445-07-4 Putrescine 110-60-1 Pyridine-2,6-Dicarboxylic Acid 499-83-2 Pyridoxine 65-23-6 Pyruvic Acid 127-17-3 Serine 56-45-1 Spermidine 124-20-9 Stearic Acid 57-11-4 Succinic Acid 110-15-6 Sucrose And Similar Disaccharides 57-50-1 Tartaric Acid 133-37-9 Tetradecanedioic Acid 821-38-5 Threitol/Erythritol 6968-16-7 Threonic Acid 3909-12-4 Threonine 72-19-5 Threose/Erythrose 95-43-2 Trisaccharide 1109-28-0 Tryptophan 73-22-3 Tyrosine 60-18-4 Uracil 66-22-8 Urea 57-13-6 Uric Acid 69-93-2 Valine 72-18-4 Willardiine 113573-73-2 Xanthine 69-89-6