metabolite_name H1 H4 H8 H15 H19 H21 H25 H30 H32 H34 H2 H5 H13 H14 H18 H23 H27 H28 H36 H39 H3 H7 H10 H12 H16 H24 H26 H33 H35 H37 H6 H9 H11 H17 H20 H22 H29 H31 H38 H40 1,2-Propanediol 14.21 11.61 13.61 14.45 13.66 13.81 13.47 13.24 15.29 16.85 13.23 13.07 14.72 13.70 15.32 13.61 15.26 12.32 14.50 11.75 2-Aminoadipic acid 19.37 17.97 18.80 19.56 19.41 19.68 19.66 18.98 19.53 19.70 19.50 19.27 19.23 19.42 19.67 19.62 19.80 19.82 19.38 19.74 18.79 19.74 19.30 19.42 19.30 19.77 19.19 19.56 19.50 19.04 19.30 19.38 19.52 19.70 19.81 19.56 18.45 2-Hydroxypyridine 14.68 13.79 14.64 14.57 14.67 14.90 14.55 14.65 14.81 14.62 14.61 14.52 14.68 14.47 14.90 14.95 15.02 14.87 14.90 13.84 14.58 14.39 14.48 14.46 14.86 14.53 14.79 14.59 14.41 14.41 14.58 14.46 14.66 14.95 14.88 14.35 3-Phosphoglyceric acid 12.58 13.87 13.44 13.62 13.34 13.89 13.97 14.95 14.99 12.88 13.57 14.47 14.21 13.43 Adenine 13.49 11.77 12.99 13.29 12.60 13.05 12.86 12.99 13.40 12.71 13.78 12.81 13.30 12.99 12.85 12.82 13.08 13.02 12.75 12.83 12.74 12.83 13.18 Adenosine 13.07 13.40 16.90 17.64 14.64 Adenosine-5-monophosphate 16.86 16.57 17.88 19.31 20.09 19.26 20.21 19.44 19.72 19.27 18.97 19.66 18.83 19.72 18.85 20.60 20.66 20.51 20.66 18.82 18.13 18.92 18.20 19.09 19.42 19.48 19.42 17.78 18.53 18.68 19.16 18.84 19.05 20.48 17.74 Alanine 17.00 15.31 16.04 16.61 16.33 16.45 16.65 16.58 16.56 16.71 16.74 16.38 15.85 16.58 17.06 16.56 17.26 17.38 16.97 17.01 16.64 15.95 16.53 15.63 17.48 15.85 17.11 17.00 16.10 16.05 15.87 16.41 15.81 16.79 17.09 15.64 alpha-Monopalmitin 19.34 18.00 18.77 19.53 19.19 19.28 19.57 19.20 19.17 20.07 19.43 19.37 19.42 19.40 19.55 19.66 19.49 19.88 19.65 19.65 18.85 19.95 19.59 19.14 19.24 19.81 19.60 17.23 19.74 20.06 15.99 19.29 19.54 19.01 19.43 19.22 19.89 19.61 18.96 alpha-Monostearin 22.23 20.70 21.70 22.36 22.07 22.13 22.44 22.00 22.07 22.81 22.38 22.02 22.34 22.16 22.45 22.01 22.27 22.77 22.41 22.63 21.66 22.77 22.34 21.99 22.15 22.65 22.37 20.22 22.48 22.84 19.11 22.14 22.40 22.03 22.25 22.20 15.66 22.69 22.38 21.90 alpha-Tocopherol 15.06 13.67 14.22 15.22 14.97 14.11 14.04 14.95 14.84 13.27 15.82 15.07 15.19 15.04 13.24 14.41 14.52 13.86 14.33 12.72 14.75 13.02 13.52 12.09 13.64 14.42 13.84 15.14 13.92 13.84 13.14 13.21 Arachidonic acid (also Eicosapentaenoic acid) 17.78 18.19 17.21 17.43 17.76 17.84 16.63 17.61 17.86 16.09 17.61 17.09 17.76 17.82 16.87 17.38 17.10 17.63 16.17 17.20 17.82 17.04 16.41 17.73 16.84 17.02 16.75 16.86 16.94 15.88 17.17 16.39 17.11 16.65 17.57 16.68 Asparagine 16.24 16.52 16.08 15.82 16.19 15.72 15.75 16.75 16.77 16.20 15.87 14.25 15.55 15.06 14.68 15.56 15.25 16.54 Aspartic acid 18.24 14.49 17.34 18.68 18.34 18.98 19.06 18.86 18.43 18.39 18.55 18.91 18.79 17.78 18.77 19.33 18.90 19.11 18.80 18.84 16.88 16.62 17.01 17.21 15.78 14.93 17.57 17.07 16.06 16.99 18.82 16.64 Benzoic acid 16.60 16.08 16.81 16.38 16.74 16.69 16.38 16.54 16.87 16.73 16.48 16.72 16.76 16.68 17.12 17.03 16.85 16.93 16.89 15.86 16.70 16.58 16.44 16.54 16.88 16.39 14.13 16.85 16.81 16.45 16.58 16.55 16.67 16.79 16.90 16.76 16.36 beta-Monopalmitin 14.28 13.62 14.05 14.14 13.65 14.03 14.57 13.10 14.56 14.24 14.73 14.08 13.51 beta-Monostearin 17.37 16.12 17.10 17.48 17.34 17.35 17.42 17.31 17.28 18.05 17.57 17.07 17.52 17.45 17.63 17.56 17.73 18.13 17.79 17.60 17.18 17.91 17.25 17.35 17.38 17.90 17.48 15.35 17.78 17.99 13.89 17.45 17.75 17.31 17.42 17.20 18.10 17.47 17.11 beta-Sitosterol 12.18 14.94 15.17 15.26 15.52 15.45 11.11 15.09 13.98 13.39 13.08 14.22 C10 hydrocarbon 12.24 12.32 12.29 12.99 12.91 13.01 13.04 12.51 12.71 12.61 12.68 C11 hydrocarbon 12.65 12.55 12.94 12.19 12.97 12.35 12.63 13.17 C13 hydrocarbon 12.70 13.56 13.22 13.27 13.14 13.41 13.72 13.75 13.62 12.66 13.61 13.90 13.73 14.27 13.73 13.48 12.36 14.17 14.09 13.63 14.50 13.57 14.63 12.44 13.30 13.92 13.73 13.61 12.97 12.97 C15 hydrocarbon 14.06 14.45 14.09 13.06 14.18 13.48 14.11 14.03 13.37 Campesterol 13.41 13.40 14.38 15.86 12.45 12.82 15.21 14.53 14.98 14.85 12.06 15.14 15.36 15.45 14.28 13.26 14.59 14.58 13.86 13.65 14.26 14.80 14.73 12.53 15.09 Cholesterol 21.34 20.49 20.49 21.52 21.67 21.39 21.58 21.78 21.51 20.78 21.53 21.48 21.62 21.70 21.34 21.58 21.70 21.81 21.34 21.39 20.88 21.24 21.09 21.24 21.20 21.61 20.95 19.16 21.46 21.16 18.13 21.10 21.00 21.51 21.18 21.65 21.35 21.58 20.14 Citric acid/isocitric acid 15.92 16.36 15.48 17.38 17.42 16.36 16.25 16.33 14.64 16.84 16.50 17.45 16.43 16.76 15.24 17.41 17.33 16.93 17.97 15.58 17.57 17.08 16.34 17.00 17.91 17.24 14.60 17.05 17.36 18.11 17.25 18.21 17.31 17.50 16.93 16.98 16.62 Creatinine 19.95 18.90 18.84 19.66 19.31 19.22 19.85 19.20 19.37 19.06 20.42 19.76 19.94 19.55 19.75 19.83 19.93 19.59 19.69 19.45 17.62 18.60 18.26 18.89 18.25 18.65 17.88 15.58 18.64 18.55 15.38 18.24 17.65 18.35 18.92 18.39 18.53 19.60 18.22 Dehydroascorbic acid 15.43 14.48 14.72 16.29 15.79 14.86 16.68 16.20 15.79 14.80 16.13 15.77 15.69 15.03 15.98 15.12 16.32 15.77 15.35 14.31 15.17 13.05 14.05 14.56 14.65 12.90 15.19 14.85 14.47 12.48 13.62 13.85 14.18 14.27 15.59 13.74 deuterated Myristic Acid (RTL std) 21.01 19.62 20.57 21.10 20.94 21.14 21.26 20.78 20.90 21.23 21.13 20.93 21.04 21.16 21.05 21.53 21.41 21.39 21.42 21.41 20.38 21.22 21.11 20.98 21.05 21.40 20.96 18.70 21.30 21.11 17.75 20.86 21.09 21.01 21.02 21.29 21.45 21.21 20.56 Docosahexaenoic acid 17.01 16.58 16.60 16.39 16.78 15.69 15.09 16.08 16.71 16.81 16.92 15.67 16.29 16.10 16.06 16.47 15.94 16.70 16.23 16.55 15.01 16.14 15.02 15.13 15.84 14.72 16.55 15.79 15.34 15.70 15.41 Ethanolamine 11.60 14.42 13.63 14.85 13.19 13.86 15.22 12.57 14.08 14.37 12.48 14.11 13.32 13.83 13.14 13.93 12.42 12.62 12.95 13.20 13.12 12.22 12.39 12.10 12.41 14.16 13.49 14.10 12.18 Fructose or similar ketohexose 14.36 13.64 15.82 14.57 15.04 15.38 15.66 14.44 14.48 14.45 15.38 14.57 14.96 14.86 15.44 15.47 15.95 16.27 15.58 15.09 15.13 16.04 15.10 15.77 15.82 14.98 16.30 16.02 15.53 15.21 Fumaric acid 12.26 11.75 13.40 14.21 13.51 14.34 14.11 13.73 12.87 13.34 12.98 14.41 13.77 13.43 13.47 14.82 14.63 14.24 14.27 14.32 12.57 13.08 12.92 15.26 13.87 14.35 14.71 13.01 13.06 14.51 13.47 14.07 14.66 14.45 12.51 Glucose and other aldohexoses 22.99 21.40 22.83 23.29 23.38 23.54 23.54 23.12 23.06 23.57 23.31 22.91 23.40 23.35 23.15 22.69 23.36 23.56 23.35 23.70 22.93 23.69 23.63 23.57 23.56 23.74 23.46 21.34 23.82 23.39 20.34 23.34 23.58 23.39 23.30 23.69 17.47 22.10 23.37 23.19 Glucose-6-phosphate 14.30 14.19 14.80 15.02 16.62 15.17 16.22 15.66 15.15 15.19 15.65 15.43 16.22 16.17 14.79 15.17 15.79 16.20 15.69 15.85 16.26 17.46 15.73 17.42 16.74 17.15 16.71 16.90 15.77 16.88 16.02 16.99 16.47 16.86 17.32 16.41 15.59 Glutamic acid 20.75 20.06 20.16 20.83 21.15 20.81 21.09 20.91 20.93 20.61 21.10 20.80 21.24 21.15 20.73 21.09 21.28 21.61 20.95 20.81 18.35 20.69 19.30 19.87 19.84 20.34 20.44 17.61 19.47 20.04 16.73 19.75 19.44 20.14 20.50 20.27 19.97 21.12 18.96 Glutamine 20.37 17.91 19.82 19.66 19.92 20.33 19.50 19.61 19.83 20.06 19.67 19.96 19.96 19.80 19.20 20.41 20.13 19.73 20.30 19.09 17.67 18.71 18.61 18.99 19.06 18.71 18.34 18.29 17.61 18.53 19.00 18.59 18.56 20.04 17.61 Glycerol 18.06 15.99 15.70 16.59 15.96 16.63 15.34 15.01 16.68 17.23 16.28 16.63 15.59 17.07 17.16 15.03 16.07 16.50 15.90 17.04 16.28 17.27 16.64 17.25 15.76 15.87 16.38 15.61 16.10 15.19 17.02 15.56 Glycerol 1-phosphate 15.75 15.71 15.54 15.44 16.34 16.15 15.92 16.32 16.21 15.22 16.28 16.16 15.96 16.28 15.96 15.42 16.70 16.45 15.92 16.15 17.90 18.86 17.56 18.94 17.75 19.76 19.19 16.13 19.82 18.97 14.89 17.08 17.75 18.10 17.72 17.81 19.04 16.25 15.44 Glycine 14.64 14.89 15.04 16.68 16.57 16.66 16.41 16.52 16.63 16.62 15.46 16.27 16.73 16.75 16.80 17.41 16.73 16.94 16.70 17.00 13.49 16.23 15.62 15.81 15.91 16.47 15.62 16.04 16.33 15.63 15.61 15.72 16.03 16.35 16.70 16.54 14.94 Heptadecanoic acid/Octadecanol 15.41 13.81 14.76 14.78 14.60 14.80 14.89 15.08 14.80 14.99 15.28 14.65 12.72 13.98 15.62 15.44 16.05 15.30 15.17 14.84 15.81 14.16 15.19 15.32 15.96 15.38 15.46 15.39 15.15 15.49 13.76 15.20 14.70 14.70 14.92 13.99 Histidine 14.00 12.88 13.60 15.36 15.11 14.79 16.22 14.35 15.40 15.88 15.25 15.70 15.20 15.05 15.28 15.17 16.08 14.18 14.46 12.54 12.33 14.38 13.84 13.27 13.94 13.28 13.94 12.36 13.78 15.08 13.56 Hypotaurine 15.09 15.19 16.58 17.27 17.42 17.67 17.40 17.50 16.87 17.19 15.05 15.91 16.76 16.56 16.91 17.07 18.14 17.97 17.28 17.98 14.77 15.44 16.85 15.74 16.40 16.98 15.48 16.70 16.99 14.72 15.90 17.33 16.80 16.70 16.81 17.47 16.24 Lactic acid 17.43 16.72 16.54 16.71 16.83 16.70 16.30 16.89 16.52 17.65 17.12 16.78 16.95 17.11 16.37 17.16 17.14 17.48 17.05 16.91 17.39 17.03 18.83 16.58 18.52 16.94 18.41 17.52 16.53 16.69 17.29 16.75 16.73 17.60 16.92 15.64 Linoleic acid 17.03 16.88 16.78 15.54 17.12 17.09 16.76 17.15 17.19 17.30 17.01 17.72 16.17 15.40 16.50 17.18 17.05 16.75 17.08 16.43 15.41 16.62 16.08 15.78 17.23 16.77 16.15 15.56 16.45 15.90 16.90 16.27 16.69 Lysine 17.39 17.45 16.97 18.21 18.82 18.46 18.12 17.25 18.49 16.99 17.74 17.03 18.29 17.26 18.13 17.20 17.79 18.88 17.77 18.50 15.68 18.33 17.29 18.12 18.10 17.26 18.24 18.24 17.24 15.57 17.75 17.42 17.97 18.52 18.21 17.19 18.36 17.44 Malic acid 15.40 16.67 16.98 16.09 16.20 15.83 15.18 17.16 15.95 16.64 16.53 16.41 15.46 17.55 17.09 15.78 16.70 14.67 16.19 15.27 15.15 16.99 14.79 14.69 14.76 15.81 15.82 15.67 15.55 15.86 MSTFA artifact 13.99 14.19 15.48 15.33 15.68 15.38 15.29 15.63 15.80 14.28 14.49 15.28 15.23 15.21 16.16 15.93 15.94 15.78 16.14 13.07 14.76 15.16 15.21 15.50 16.20 15.46 15.88 15.78 14.78 14.99 15.24 15.46 15.67 15.99 15.92 15.39 Myoinositol 18.34 17.32 17.84 18.75 18.87 18.93 18.99 19.40 18.65 18.37 19.00 18.73 19.02 19.33 19.00 19.42 19.32 19.08 18.83 19.15 17.69 18.55 17.91 18.00 17.88 18.84 18.12 15.49 18.63 18.34 17.96 18.02 18.36 18.37 18.62 18.61 19.33 17.44 Myoinositol-2-phosphate 14.70 13.30 15.41 15.01 15.26 12.97 13.69 13.00 13.85 13.23 13.81 13.98 14.82 Myristic acid or Pentadecanol 15.93 14.16 15.61 15.73 15.78 15.70 15.50 15.76 15.82 15.96 15.62 16.35 15.55 16.53 16.41 16.49 16.82 16.36 16.39 15.52 16.70 16.04 16.28 15.86 16.84 16.57 13.37 16.71 16.60 16.11 16.45 15.43 16.41 16.18 16.72 14.77 15.37 Nicotinamide 13.23 13.82 12.24 12.77 12.64 12.30 12.35 12.63 13.11 10.99 9.81 Oleic acid 14.10 13.66 13.61 13.54 13.81 13.31 13.05 14.55 13.55 13.60 14.21 12.48 O-Methylphosphate 13.37 14.58 15.89 16.04 16.12 16.13 15.96 15.40 15.65 15.46 14.31 15.87 16.10 14.86 16.34 16.03 16.42 15.02 15.79 15.95 14.43 14.55 15.50 15.96 15.68 13.20 14.21 14.89 15.25 14.92 15.55 15.65 16.00 15.77 16.10 14.88 O-Phosphocolamine 15.15 17.06 17.33 17.04 17.45 17.58 17.63 17.09 15.43 17.23 16.75 17.12 17.54 17.75 17.86 17.65 17.99 14.70 15.62 16.40 16.35 16.97 16.99 15.71 17.57 17.23 15.74 15.65 16.77 16.77 17.14 16.98 17.81 16.56 Palmitamide 16.23 13.73 14.56 15.61 13.27 Palmitic acid 19.99 18.60 19.32 19.92 19.70 19.69 19.80 19.74 19.66 20.18 20.09 19.98 20.09 19.83 20.23 20.11 20.22 20.48 20.23 20.04 19.42 20.51 19.95 19.96 19.98 20.64 20.10 17.78 20.48 20.32 16.87 19.92 20.09 19.74 19.98 19.72 20.39 19.97 19.07 Pantothenic acid 14.76 12.44 14.34 14.12 15.00 13.86 14.61 15.43 15.43 14.51 15.07 15.65 15.75 15.31 14.91 15.44 16.40 15.03 14.44 13.10 14.33 14.42 13.77 14.30 14.30 14.79 Phosphoric acid 22.22 21.11 21.24 21.95 22.25 21.98 22.35 22.02 22.31 21.92 22.50 22.26 22.33 21.97 22.32 22.10 22.88 22.73 22.63 22.84 21.53 22.23 22.06 22.21 21.53 22.42 22.06 19.99 21.38 22.49 18.85 21.70 21.73 22.12 22.24 22.22 16.33 22.39 22.88 21.68 Proline 15.08 13.22 14.19 15.10 13.82 12.32 13.15 12.20 14.50 13.64 12.79 13.63 13.47 13.97 13.29 14.95 14.46 13.55 12.07 12.08 12.04 12.11 12.07 12.06 12.19 12.07 12.10 11.98 11.76 12.88 12.80 15.03 Pyrophosphate 17.79 17.32 18.21 18.85 19.46 18.96 19.42 18.95 18.80 18.49 18.94 19.17 19.47 18.88 18.95 19.20 19.77 19.78 18.68 19.08 15.67 19.47 17.78 18.49 18.59 18.78 19.04 15.67 17.42 18.51 14.92 18.73 18.31 18.83 19.04 18.64 18.33 19.37 17.67 Pyruvic acid 13.22 12.63 12.81 13.03 13.46 13.47 13.15 12.86 14.54 12.80 12.96 13.13 12.87 13.08 14.63 14.71 15.18 14.43 13.91 11.98 12.97 13.21 13.35 13.29 14.25 12.62 14.70 14.46 12.91 12.88 13.16 13.00 13.03 14.65 14.47 12.92 Serine 14.97 14.75 15.04 15.72 16.15 16.01 16.51 16.70 16.12 16.21 17.02 17.29 16.07 17.42 16.23 17.36 17.08 16.44 17.21 16.79 12.37 14.93 13.85 13.51 14.39 15.60 11.94 14.39 14.60 14.74 12.00 12.92 14.73 15.31 18.03 13.71 Siloxanes_R1 11.95 13.18 16.17 15.49 15.44 15.53 13.65 13.38 15.75 16.24 14.97 15.76 15.90 13.89 11.98 12.87 15.16 15.40 15.77 15.23 12.74 12.68 13.66 15.28 15.63 15.70 Siloxanes_R2 11.25 12.60 13.31 12.20 14.28 13.60 13.51 12.02 13.18 13.51 13.57 12.63 13.68 13.98 13.32 13.49 13.60 12.68 13.04 13.64 14.26 14.10 Siloxanes_R3 12.52 13.29 12.25 15.16 12.50 12.98 13.72 14.09 11.54 13.23 12.60 12.68 13.87 13.44 12.70 12.49 14.77 Spermidine 15.35 15.38 16.12 14.76 15.06 15.17 15.71 16.09 15.29 14.57 15.53 15.80 15.94 15.91 15.81 16.03 15.56 15.54 14.95 14.75 14.85 15.35 15.96 15.86 15.94 15.91 14.74 15.64 15.00 15.89 15.88 15.65 15.99 16.28 16.11 15.22 14.74 Spermine 14.69 13.29 13.10 14.87 13.19 14.21 14.35 14.33 14.46 12.12 13.76 13.44 13.76 14.16 15.06 13.30 14.24 14.04 14.85 14.71 13.42 14.81 14.77 12.40 Squalene 14.05 14.22 15.23 15.35 15.24 15.23 14.87 14.91 13.99 15.32 15.15 15.28 16.00 15.32 14.06 14.08 14.19 14.75 14.08 14.35 14.85 15.14 14.02 14.95 14.63 15.03 13.50 Stearamide 15.57 15.71 15.71 16.71 16.38 16.29 16.07 16.15 16.40 15.29 15.82 15.97 16.61 16.26 15.58 16.03 15.78 16.10 15.95 16.19 15.29 15.07 16.28 15.56 15.45 14.61 15.56 15.12 16.58 15.66 15.76 14.78 15.95 14.72 Stearic acid 20.80 19.91 20.48 21.16 20.90 20.74 20.94 20.83 20.78 21.28 21.15 21.15 21.25 20.94 21.53 21.31 21.45 21.73 21.25 21.19 20.53 21.82 20.98 21.18 21.21 21.67 21.16 19.08 21.52 21.52 18.15 21.01 21.10 20.95 21.22 20.89 15.55 21.44 21.16 20.22 Succinic acid 15.82 15.15 15.15 15.72 15.21 15.71 15.04 14.94 15.85 16.20 16.03 15.73 16.32 16.83 17.30 15.77 15.80 15.67 Sucrose and similar disaccharides 13.76 14.01 14.33 14.99 14.89 16.19 Taurine 17.42 21.27 21.07 20.28 20.98 20.31 21.24 20.96 21.15 19.35 19.92 19.68 19.59 20.83 20.73 21.13 20.92 18.53 20.72 19.50 20.37 19.76 19.62 18.90 19.57 17.83 19.22 20.36 19.69 20.26 Threonine 15.84 15.11 14.57 15.47 16.54 16.15 16.04 15.29 15.73 15.21 16.11 15.37 15.61 15.70 15.54 16.07 16.58 16.33 15.66 15.55 14.41 15.24 14.70 15.11 14.98 14.78 15.47 14.89 14.29 15.01 15.35 14.85 14.89 16.45 14.38 Tyrosine 12.93 12.33 12.56 12.21 11.21 12.70 11.90 11.87 12.30 12.25 metabolite_name CAS Fiehn_reten_Index 1,2-Propanediol 57-55-6 719.60 2-Aminoadipic acid 542-32-5 1370.13 2-Hydroxypyridine 142-08-5 745.31 3-Phosphoglyceric acid 820-11-1 1465.73 Adenine 73-24-5 1535.00 Adenosine 58-61-7 2242.20 Adenosine-5-monophosphate 61-19-8 2716.39 Alanine 56-41-7 793.90 alpha-Monopalmitin 542-44-9 2259.72 alpha-Monostearin 123-94-4 2449.46 alpha-Tocopherol 10191-41-0 2797.53 Arachidonic acid (also Eicosapentaenoic acid) 506-32-1 2047.42 Asparagine 70-47-3 1329.05 Aspartic acid 56-84-8 1082.94 Benzoic acid 65-85-0 919.41 beta-Monopalmitin 23470-00-0 2226.93 beta-Monostearin 31566-31-1 2413.87 beta-Sitosterol 19044-06-5 3018.80 C10 hydrocarbon 738.40 C11 hydrocarbon 794.69 C13 hydrocarbon 946.39 C15 hydrocarbon 1153.67 Campesterol 474-62-4 2922.73 Cholesterol 57-88-5 2817.84 Citric acid/isocitric acid 5949-29-1 1480.01 Creatinine 60-27-5 1214.49 Dehydroascorbic acid 490-83-5 1510.67 deuterated Myristic Acid (RTL std) 1496.01 Docosahexaenoic acid 6217-54-5 2235.46 Ethanolamine 141-43-5 933.88 Fructose or similar ketohexose 57-48-7 1532.90 Fumaric acid 110-17-8 1011.99 Glucose and other aldohexoses 50-99-7 1560.42 Glucose-6-phosphate 56-73-5 1986.54 Glutamic acid 56-86-0 1278.90 Glutamine 56-85-9 1435.28 Glycerol 56-81-5 937.85 Glycerol 1-phosphate 34363-28-5 1420.04 Glycine 56-40-6 970.49 Heptadecanoic acid/Octadecanol 506-12-7 1819.48 Histidine 5934-29-2 1585.09 Hypotaurine 300-84-5 1260.84 Lactic acid 79-33-4 761.47 Linoleic acid 60-33-3 1888.57 Lysine 56-87-1 1588.89 Malic acid 617-48-1 1145.15 MSTFA artifact 995.08 Myoinositol 87-89-8 1760.35 Myoinositol-2-phosphate 103529-92-6 2086.39 Myristic acid or Pentadecanol 544-63-8 1516.52 Nicotinamide 98-92-0 1143.73 Oleic acid 112-80-1 1895.04 O-Methylphosphate 812-00-0 852.61 O-Phosphocolamine 1071-23-4 1444.00 Palmitamide 629-54-9 1918.23 Palmitic acid 57-10-3 1718.84 Pantothenic acid 137-08-6 1658.74 Phosphoric acid 7664-38-2 936.27 Proline 147-85-3 962.98 Pyrophosphate 206-97-5 1317.48 Pyruvic acid 127-17-3 759.66 Serine 56-45-1 1019.66 Siloxanes_R1 706.64 Siloxanes_R2 816.93 Siloxanes_R3 966.05 Spermidine 124-20-9 1930.38 Spermine 71-44-3 2419.97 Squalene 111-02-4 2491.11 Stearamide 124-26-5 2119.94 Stearic acid 57-11-4 1920.57 Succinic acid 110-15-6 977.00 Sucrose and similar disaccharides 57-50-1 2305.44 Taurine 107-35-7 1330.99 Threonine 72-19-5 1044.44 Tyrosine 60-18-4 1606.26