metabolite_name 20 32 30 33 11 25 9 SD1 SD4 SD2 15 48 34 23 22 18 32HIP 33HIP 46 10 Unknown-possibly propylene glycol 15.30 21.12 16.50 16.37 20.86 16.21 20.79 16.17 15.50 15.65 21.65 20.92 21.59 21.56 21.20 20.83 20.52 20.47 19.96 19.24 C10 hydrocarbon 12.76 15.56 12.29 11.55 16.45 12.81 12.34 16.41 12.49 11.94 14.75 11.82 13.97 14.79 13.62 12.76 Decamethyltetrasiloxane 14.75 13.12 13.81 13.60 13.22 13.69 13.72 13.71 13.87 14.04 13.98 13.65 13.82 14.25 13.27 13.85 14.27 13.91 2-Hydroxypyridine 16.91 15.52 15.60 16.29 15.98 15.65 14.79 16.03 16.34 15.70 15.92 15.70 15.66 16.17 16.59 16.54 15.98 15.89 16.72 15.43 Phenol 14.62 13.49 13.83 12.76 13.67 Lactic acid 25.10 23.86 23.81 24.06 23.61 23.69 23.62 24.23 24.11 24.26 25.01 24.44 24.76 25.66 24.98 24.51 24.13 24.57 24.80 23.86 Alanine 19.62 18.72 18.90 18.95 18.31 18.21 17.73 19.03 18.85 18.71 19.23 18.19 18.83 19.40 19.01 17.36 18.02 18.71 19.02 17.55 C11 hydrocarbon 14.68 13.11 13.91 14.71 14.34 14.16 14.17 14.41 14.47 14.53 13.82 14.53 14.56 13.88 14.01 14.51 14.19 14.45 14.64 14.65 2-Hydroxybutyric acid 20.81 21.57 21.71 21.53 21.22 21.40 21.59 21.45 21.41 21.47 22.24 21.23 21.40 21.58 21.37 22.58 21.04 21.67 21.62 21.18 Butyro-1,4-lactam 13.51 14.76 15.50 15.64 13.53 14.70 15.03 beta-Hydroxybutyric acid 16.99 15.85 17.65 17.52 17.35 17.24 16.54 17.13 16.92 16.94 18.08 19.59 19.46 19.93 19.39 18.52 17.62 19.24 18.52 17.78 Lactamide 20.54 19.95 20.28 20.33 20.18 19.90 20.46 20.13 19.99 20.20 19.37 20.21 20.14 20.26 20.09 20.11 19.96 19.58 19.99 19.97 2-Aminobutanoic acid 12.92 13.15 12.48 13.00 12.04 13.23 12.19 O-Methylphosphate 19.84 20.14 20.52 20.82 19.77 20.77 21.20 20.94 20.40 21.02 17.54 20.30 20.59 21.43 21.24 20.77 20.84 20.47 20.49 21.22 Malonic acid 17.73 19.21 18.98 18.90 18.90 19.36 19.21 18.85 18.54 18.92 19.01 17.58 18.90 19.38 18.94 19.06 18.68 18.75 18.78 18.62 Valine 16.14 17.08 16.66 16.81 16.13 16.37 16.17 17.11 16.62 16.32 17.05 15.61 17.22 18.24 17.08 17.41 16.68 16.99 17.24 15.75 C12 hydrocarbon 13.00 13.18 13.20 13.63 12.72 13.25 13.42 13.20 12.98 12.88 12.85 12.94 13.46 13.18 13.07 13.31 13.36 Urea 22.66 21.83 21.84 22.05 21.88 21.46 21.96 21.91 21.48 21.70 23.54 22.76 23.21 24.06 23.95 22.32 22.41 22.43 23.69 22.07 Benzoic acid 16.78 16.11 16.24 16.10 16.28 15.99 16.09 16.10 15.96 15.98 16.48 15.97 16.02 16.13 16.06 16.09 15.73 16.09 16.40 16.02 Ethanolamine 16.93 16.65 17.42 17.67 17.38 17.17 17.70 17.99 17.93 17.37 16.18 16.63 16.35 17.49 17.02 16.83 16.60 16.54 17.15 16.70 Phosphoric acid 25.91 25.52 25.73 26.12 25.44 25.81 25.80 25.91 25.69 25.67 25.64 24.43 25.69 26.50 26.08 25.45 25.27 25.25 25.61 25.63 Glycerol 20.93 20.39 19.97 19.83 19.43 20.25 20.41 20.17 20.14 19.55 20.13 19.91 22.44 21.40 19.54 18.92 19.31 20.10 19.75 C13 hydrocarbon 15.75 14.74 15.32 15.44 15.61 15.32 15.60 15.14 15.51 15.15 15.53 15.17 15.16 15.32 15.52 15.10 15.39 15.34 15.36 15.38 Isoleucine/Leucine 16.81 16.61 16.47 17.64 17.79 17.64 17.16 17.50 16.12 16.63 15.11 16.70 18.19 17.83 16.97 17.04 16.74 17.23 16.48 Proline 15.59 15.69 15.48 15.42 14.92 15.31 15.16 16.62 15.90 15.02 15.75 13.42 14.78 15.91 15.57 14.58 13.82 15.30 16.07 13.66 Maleic acid 20.66 20.30 18.17 18.20 17.00 17.61 19.74 18.71 17.79 17.51 17.22 16.36 Glycine 18.69 19.10 20.23 20.34 20.10 20.60 21.64 20.94 20.59 20.65 18.46 19.76 19.66 20.59 20.17 19.90 19.80 20.08 20.31 21.79 5-(Hydroxymethyl)furfural 15.33 15.11 15.27 15.43 13.52 14.80 14.05 13.83 13.44 14.29 Succinic acid 16.49 17.32 17.78 16.67 2,3-Dihydroxypyridine 15.21 11.70 13.70 15.21 15.19 15.01 15.68 14.24 12.37 15.13 MSTFA artifact 16.15 15.97 17.06 17.17 16.87 16.96 17.30 17.16 17.31 17.13 16.17 16.01 17.00 17.75 17.62 17.01 16.69 16.82 17.48 17.15 Uracil 18.01 17.68 17.24 17.51 17.12 17.16 17.27 17.70 16.76 17.14 16.46 15.97 15.43 16.81 16.00 15.77 15.49 15.19 15.78 15.82 Fumaric acid 17.86 16.73 17.31 17.32 16.69 16.81 16.86 16.70 16.98 16.88 17.55 17.40 17.65 18.19 17.72 17.40 16.47 17.02 17.23 16.56 Serine 21.48 20.77 20.99 20.90 20.27 19.76 19.50 20.96 20.64 19.69 21.25 18.96 20.27 21.13 20.82 20.78 19.38 20.41 20.79 19.19 6-Methyluracil 14.69 13.01 14.57 12.23 Threonic acid/erythronic acid 16.62 15.97 16.29 17.07 16.10 16.43 16.81 16.56 17.18 15.75 17.03 17.42 17.06 16.90 16.23 15.73 16.49 15.90 Threonine 20.68 19.72 20.00 19.94 19.46 19.54 19.50 20.21 19.50 19.37 19.96 18.11 19.07 20.33 19.54 19.36 18.30 19.04 19.65 18.88 Hydroquinone 13.59 14.45 14.69 13.61 13.70 14.62 13.97 14.34 14.21 14.89 14.49 10.62 13.43 13.32 13.75 14.51 Aspartic acid 18.88 20.56 20.76 20.79 20.46 20.13 20.24 20.56 20.06 19.36 21.10 19.16 20.36 21.45 20.95 20.41 19.80 19.34 19.64 19.94 beta-Alanine 11.86 12.43 13.75 14.05 14.26 15.92 14.28 15.29 14.53 14.44 12.46 12.65 13.84 14.80 15.55 14.60 15.21 15.03 15.35 14.30 Aminomalonic acid 14.05 15.02 16.61 17.02 16.17 17.07 18.01 17.46 17.02 16.95 13.86 15.66 16.18 17.34 16.46 16.69 16.30 16.50 16.41 18.30 Nicotinamide 17.84 17.16 17.51 17.75 17.15 17.42 17.08 17.47 17.11 16.99 17.66 16.89 17.48 18.25 17.73 17.48 17.04 16.86 17.32 16.55 Malic acid 21.36 20.65 21.25 21.17 20.38 20.65 20.41 20.66 20.69 20.39 21.61 20.76 21.30 21.95 21.47 21.08 20.32 21.05 21.05 20.66 C15 hydrocarbon 16.21 15.07 15.75 15.52 15.44 15.94 15.52 15.81 15.28 15.17 15.78 15.20 15.31 15.72 15.43 15.51 15.24 15.10 15.66 15.67 Threitol/erythritol 16.79 15.35 15.67 16.01 15.82 14.85 15.10 15.04 16.19 15.19 18.15 16.64 17.81 18.73 18.01 17.16 17.56 17.02 18.00 16.39 Tris 12.26 12.06 13.90 13.39 Hydroxyprolines 15.28 13.26 14.08 14.54 14.42 13.47 14.37 14.53 14.14 15.57 14.78 15.01 14.26 14.73 12.66 gamma-Aminobutyric acid 21.94 22.55 23.46 23.52 23.21 23.92 22.71 23.67 23.35 23.21 22.93 22.09 23.36 23.87 24.03 23.33 23.39 23.41 23.49 22.17 Erythronic acid/Threonic acid 16.32 14.51 15.49 16.33 15.36 15.48 14.72 15.89 15.71 15.87 13.97 14.96 16.07 15.88 14.59 14.41 14.46 15.53 15.08 7H-Purine/Phenylalanine 15.21 14.93 14.73 13.98 Creatinine/Cysteine 23.01 22.30 22.40 22.47 22.13 21.93 21.96 22.21 22.09 22.22 22.48 21.48 22.48 22.92 22.49 22.15 21.86 21.74 22.27 21.93 2-Hydroxyglutaric acid 14.93 14.48 15.32 Phosphoenolpyruvic acid 12.06 12.76 13.23 14.09 13.50 2-Hydroxybiphenyl 17.73 13.82 18.33 17.21 16.69 17.04 19.20 17.79 18.13 18.02 Benzene-1,2,4-triol/hypotaurine 17.05 17.06 17.52 18.73 18.45 17.94 18.30 17.77 17.88 17.38 18.85 17.22 18.07 18.77 18.68 17.47 17.52 17.53 17.64 17.82 5-Aminovaleric acid 16.76 16.27 17.13 16.08 16.41 16.71 16.57 17.14 16.88 17.73 17.11 16.43 14.55 Glutamic acid 25.04 23.85 24.50 24.60 23.75 23.41 23.21 24.20 24.40 23.64 24.97 23.94 24.65 25.03 24.86 24.40 23.76 24.02 24.49 23.06 Phenylalanine 18.64 18.63 18.10 17.84 17.43 18.10 18.12 18.76 17.91 17.94 17.37 17.02 16.45 18.00 17.24 16.93 16.92 16.73 17.49 16.45 N-Acetylaspartic acid 23.98 23.51 24.10 24.28 23.48 23.36 22.94 24.09 23.72 23.17 24.03 23.10 23.91 24.43 24.29 23.99 23.35 23.34 23.76 23.20 Pyrophosphate 15.03 13.51 15.75 15.44 14.31 16.72 15.62 16.72 15.91 16.16 14.17 15.70 15.40 15.95 16.67 16.37 16.48 16.50 16.30 15.93 Asparagine 16.65 16.38 15.95 15.47 15.41 16.39 16.91 16.07 Taurine 17.79 16.81 16.27 16.27 17.50 17.19 16.56 18.50 16.32 19.45 17.01 16.19 18.90 Aldopentoses 18.73 18.25 18.33 18.21 18.46 18.33 18.22 18.69 18.04 18.08 18.39 18.08 17.94 19.39 18.15 17.82 17.55 17.80 18.01 16.32 Cysteinesulfinic acid 16.56 16.79 17.39 17.66 17.04 18.00 16.57 17.95 17.40 17.19 15.70 16.46 17.85 15.67 2-Aminoadipic acid 17.97 17.50 17.46 17.33 16.28 17.62 17.04 17.88 17.16 17.63 17.34 17.87 17.47 17.45 16.74 17.18 16.87 Pentitols 16.92 16.31 16.32 17.08 16.52 14.69 15.61 13.91 16.17 15.59 17.76 16.91 17.15 17.20 17.69 16.85 16.26 16.37 17.01 15.45 Ornithine 13.10 14.24 16.11 15.18 14.48 14.59 Putrescine 14.59 13.30 13.10 14.95 14.24 13.76 13.88 13.58 14.71 16.09 16.11 15.18 14.48 14.59 13.97 13.92 Dihydroxyacetone phosphate 16.29 15.25 15.15 14.97 14.97 15.42 15.94 15.11 14.17 15.06 14.62 15.47 15.46 15.40 15.06 15.35 Orotic acid 19.23 20.09 19.93 20.42 20.41 19.11 20.13 19.38 19.80 19.44 Glycerol 1-phosphate 17.88 16.60 17.13 17.44 17.96 19.23 17.73 16.38 17.69 17.58 20.09 18.29 19.93 20.42 20.41 19.11 20.13 19.38 19.80 19.44 Glutamine 21.72 21.84 20.87 21.12 21.27 20.23 20.95 19.70 19.43 20.01 21.59 18.87 20.33 20.84 21.17 18.37 19.74 19.62 19.16 20.55 Pentonic acids 12.95 12.08 14.40 13.70 13.56 14.21 15.00 13.54 13.13 13.01 14.37 O-Phosphocolamine 17.87 17.98 20.07 20.33 20.25 20.38 19.35 20.44 20.73 19.62 19.16 19.74 20.15 20.07 21.54 20.62 20.39 20.59 20.87 19.72 Gentisic acid 14.16 13.32 14.35 14.39 13.98 14.74 Hypoxanthine 20.56 20.90 20.35 20.52 19.85 20.02 20.09 20.54 20.17 20.20 19.53 19.75 18.95 20.45 19.17 19.23 18.53 18.89 19.26 18.77 Citric acid/isocitric acid 18.80 18.23 19.13 19.13 18.78 18.07 18.00 19.08 18.83 19.00 18.65 19.25 18.83 19.89 18.90 19.00 18.60 18.16 18.68 18.47 deuterated Myristic Acid (RTL std) 21.97 21.80 22.14 21.77 21.63 21.59 21.73 21.70 21.75 21.45 22.26 21.71 21.92 21.91 22.05 22.01 21.45 21.50 21.59 21.37 Dehydroascorbic acid 21.32 20.86 20.92 21.39 20.52 20.65 19.58 20.83 21.26 20.60 21.38 20.70 21.05 21.89 21.38 21.37 20.51 20.92 21.16 19.49 Myristic acid or Pentadecanol 17.65 17.39 18.01 17.22 17.77 17.85 17.65 17.41 17.42 17.44 18.13 17.35 17.62 17.68 17.38 17.66 17.44 17.31 17.29 17.43 cis-3,5-Dimethoxycinnamic acid 14.16 13.58 13.43 13.63 13.77 13.75 Fructose or similar ketohexose 15.44 15.88 14.98 15.35 14.88 14.02 14.94 16.78 15.60 15.81 19.09 20.81 20.05 21.16 19.83 20.23 20.82 19.38 19.86 19.14 Tyramine 12.68 12.69 12.68 13.62 13.82 13.67 Glucose and other aldohexoses 18.98 20.61 18.90 17.45 17.30 18.67 18.28 18.55 18.51 18.05 21.00 23.35 21.91 23.77 20.74 23.28 22.91 21.97 21.56 22.43 Sedoheptulose or similar sugar 15.31 15.50 15.41 15.68 15.67 15.47 15.94 15.68 15.32 14.99 15.84 14.72 15.25 15.36 15.47 14.25 14.67 14.64 15.17 14.78 p-Hydroxyphenyllactic acid 13.48 13.31 12.70 C19 hydrocarbon 15.55 15.16 15.14 15.61 15.00 14.71 14.49 15.56 15.40 15.61 15.42 14.87 15.65 14.60 Lysine 17.27 18.10 17.76 18.11 18.42 18.30 18.96 17.81 17.40 17.80 17.78 17.84 17.15 18.28 18.01 16.88 17.80 17.35 16.79 18.36 Hexitols 16.84 16.33 16.99 16.50 15.85 16.11 17.35 16.84 16.55 19.99 19.48 20.13 20.13 20.16 19.42 19.61 19.22 19.15 18.23 Tyrosine 16.73 17.56 16.16 15.96 16.03 15.99 17.01 15.85 14.92 15.73 16.88 15.66 14.21 15.54 14.63 11.63 14.92 14.53 14.57 14.75 Ascorbic acid 16.72 16.89 17.21 18.52 18.21 17.56 12.21 17.34 15.13 18.27 17.47 17.01 17.91 19.22 19.33 18.22 18.26 17.19 18.48 16.15 Pentadecanoic acid 15.76 14.88 15.24 15.29 15.53 14.57 15.20 14.57 15.27 15.29 14.93 14.27 14.94 14.96 14.45 14.19 Erythrose-4-phosphate 12.72 13.41 12.54 12.24 12.49 Ononitol or similar methoxyinositol 15.25 15.59 14.36 15.30 15.53 13.65 17.19 15.54 17.07 17.29 Gly-Pro 11.62 14.86 15.22 11.76 14.36 15.56 14.01 Hexadecanol 14.31 14.72 14.93 14.56 13.82 13.83 14.85 14.59 13.60 13.96 15.52 13.47 15.21 15.34 14.45 13.40 14.09 14.53 13.99 16.06 Pantothenic acid 12.32 11.81 11.98 15.24 14.75 14.46 14.44 13.68 17.32 15.17 14.61 15.18 14.63 14.82 13.75 Xanthine 18.04 18.42 17.70 17.77 18.29 17.44 17.97 17.45 16.98 17.97 16.40 17.39 15.03 17.84 13.62 15.81 15.70 15.08 16.32 16.20 Palmitic acid 23.62 23.36 23.17 23.11 22.99 22.73 22.83 22.88 22.86 22.75 23.73 23.09 23.07 23.19 22.93 22.77 22.51 22.62 22.61 22.47 Dopamine/5-Hydroxylysine 13.81 15.45 10.67 14.76 Myoinositol 25.36 25.16 25.39 25.70 25.12 25.75 25.71 25.22 25.70 25.61 25.58 25.66 25.95 26.59 26.03 26.06 25.88 25.93 25.74 25.68 Ketopentose-5-phosphate 16.78 16.10 15.74 16.82 15.67 15.98 15.16 16.09 16.89 14.92 17.47 17.11 16.77 18.26 17.01 17.37 16.72 16.94 16.16 16.31 C21 Hydrocarbon 15.21 14.90 14.34 15.77 15.53 15.07 14.67 Heptadecanoic acid/Octadecanol 19.03 18.50 18.15 18.61 19.11 17.85 18.18 17.62 17.89 17.82 19.88 17.84 18.07 18.36 18.20 17.59 17.46 17.55 17.76 17.66 C22 hydrocarbon 13.85 13.59 14.80 14.12 13.17 13.65 13.29 Spermidine 13.33 15.74 17.10 17.89 18.69 18.77 19.41 17.61 17.21 19.34 16.71 16.87 16.97 19.00 18.27 16.58 18.20 17.69 17.70 19.20 Linoleic acid 15.38 15.37 13.68 15.08 14.43 14.15 17.35 15.92 16.34 Tryptophan 14.36 11.67 13.96 14.88 13.10 12.71 Oleic acid 22.59 22.53 22.06 22.03 22.25 21.59 22.13 21.69 21.30 21.46 22.63 21.65 21.45 21.87 21.52 21.12 20.97 20.92 21.04 21.73 Stearic acid 24.07 23.89 23.90 23.86 23.56 23.43 23.60 23.48 23.43 23.62 24.17 23.61 23.75 23.89 23.62 23.33 23.42 23.47 23.33 23.16 Fructose-6-phosphate 16.15 18.03 15.84 14.09 16.00 17.18 17.22 17.82 17.91 18.11 21.16 19.35 18.64 17.86 19.96 18.17 19.84 18.03 18.30 Glucose-6-phosphate or similar 17.67 19.51 17.79 15.81 16.87 18.72 18.87 19.85 19.80 13.93 19.58 22.46 20.51 20.17 19.71 21.61 20.05 21.51 19.79 20.19 1-Eicosanol 14.23 11.79 14.27 Arachidonic acid (also Eicosapentaenoic acid) 21.56 21.40 20.94 21.23 20.99 20.40 20.88 20.97 20.97 20.00 21.58 20.95 20.55 20.88 20.77 20.76 19.83 20.44 20.45 19.79 Purine riboside 15.92 16.38 16.46 17.66 17.40 16.84 17.55 17.52 17.54 17.30 15.95 15.63 16.87 18.83 17.34 16.76 17.22 17.24 17.48 18.06 Myoinositol-2-phosphate 16.25 16.23 16.64 17.06 16.18 17.64 18.76 17.36 17.39 17.50 17.05 17.85 17.69 18.29 17.66 17.79 17.52 17.55 17.59 18.26 Arachidic acid 16.03 16.16 16.17 16.17 17.30 16.15 17.24 15.39 15.50 16.29 17.23 15.83 16.22 16.77 16.28 15.50 16.10 16.03 15.28 17.62 Uridine/pseudouridine 15.96 15.33 15.77 15.47 14.32 15.40 15.82 16.34 17.67 15.60 17.26 15.91 16.39 14.21 15.46 16.13 15.01 O-Benzyltyrosine 14.12 14.16 14.26 13.35 14.34 14.30 14.33 14.42 14.30 14.23 14.75 beta-Monopalmitin 18.19 17.58 17.38 17.70 17.75 17.35 17.44 17.09 17.41 17.21 18.86 16.94 17.25 18.17 17.07 17.22 17.23 17.26 17.17 17.34 Docosahexaenoic acid 21.85 21.23 20.81 20.94 20.87 19.92 19.98 20.69 20.40 20.39 21.93 20.85 20.73 21.18 20.80 20.54 20.43 20.06 20.38 19.43 Inosine 23.24 22.78 22.83 23.11 22.63 22.62 22.45 22.71 22.96 22.68 23.13 23.09 22.71 23.67 22.70 22.66 22.59 22.70 23.03 22.44 alpha-Monopalmitin 21.51 21.30 21.42 21.52 21.69 21.53 21.29 21.57 21.51 21.52 21.87 21.53 21.52 21.57 21.50 21.46 21.40 21.45 21.56 21.51 cis-13-Docosenoic acid 14.77 15.16 15.66 14.86 16.37 14.25 15.39 16.79 16.30 15.23 14.28 16.19 N-Acetylneuraminic acid 17.04 17.19 16.67 16.95 17.41 16.85 17.09 16.87 16.75 16.10 17.84 16.93 16.58 17.56 17.50 16.51 17.11 16.54 16.66 17.10 Sucrose and similar disaccharides 14.21 14.24 Adenosine 18.93 16.22 20.88 21.20 14.77 17.12 17.94 15.68 18.99 16.72 20.06 19.88 19.66 20.63 19.31 18.01 20.04 15.85 Docosanoic acid 14.48 15.40 14.89 14.12 14.35 15.27 15.80 14.34 13.59 14.89 14.67 14.34 14.47 15.78 15.09 13.95 14.51 14.36 16.12 Disaccharide 13.99 16.71 13.48 14.12 13.63 12.67 13.67 13.76 15.67 14.69 16.80 13.44 14.36 14.21 12.76 Tricosanoic acid 13.96 14.75 14.77 14.50 14.61 11.79 12.90 13.09 beta-Monostearin 19.67 19.32 19.42 19.52 19.86 19.57 19.22 19.55 19.60 19.47 20.08 19.52 19.44 19.43 19.50 19.43 19.55 19.29 19.56 19.55 Guanosine 16.10 15.44 17.07 13.65 17.25 13.64 13.47 15.25 16.42 15.45 18.40 16.31 16.50 13.16 16.41 16.92 alpha-Monostearin 24.04 23.77 24.17 24.19 24.38 24.23 24.01 24.29 24.21 24.24 24.09 24.23 24.19 24.13 24.20 24.20 24.22 24.11 24.29 24.30 cis-15-Tetracosenoic acid 16.35 15.53 16.48 16.49 16.36 16.86 18.13 16.06 14.46 17.17 14.78 14.91 14.33 17.50 16.27 13.32 15.29 14.72 14.41 17.26 Uridine 5'-monophosphate 14.88 15.99 15.68 16.67 Melbiose or similar disaccharide 17.21 17.62 17.35 17.32 18.59 16.80 17.37 17.15 18.25 16.18 16.47 17.25 16.40 16.28 16.37 16.92 Tetracosanoic acid 16.69 16.11 16.24 16.48 15.64 16.45 16.92 16.15 15.66 16.24 16.48 16.02 16.57 17.40 17.23 15.75 16.27 15.85 15.80 17.30 Adenosine-5'-monophosphate 15.11 14.02 17.55 15.24 18.41 16.81 16.49 5-Cholesten-3-beta-7-alpha-diol 14.41 13.73 14.22 13.84 13.79 15.10 14.22 14.37 alpha-Tocopherol 15.25 15.54 15.03 14.82 14.97 15.10 15.46 14.88 14.88 Cholesterol 27.53 27.53 27.54 27.59 27.73 27.67 28.09 27.42 27.20 27.69 27.39 27.16 27.23 27.68 27.73 27.18 27.38 27.11 27.14 28.01 5-alpha-Coprostanol or similar oxysterol 17.98 17.80 18.17 18.01 17.51 18.08 18.01 17.60 Campesterol 18.58 17.92 18.30 17.95 17.64 19.14 17.74 18.78 17.89 18.75 15.17 16.73 17.00 16.68 16.37 14.36 15.61 beta-Sitosterol 16.75 16.33 16.91 16.73 18.29 16.91 17.69 15.54 17.23 14.16 14.95 14.09 12.84 metabolite_name Unknown-possibly propylene glycol C10 hydrocarbon Decamethyltetrasiloxane 2-Hydroxypyridine Phenol Lactic acid Alanine C11 hydrocarbon 2-Hydroxybutyric acid Butyro-1,4-lactam beta-Hydroxybutyric acid Lactamide 2-Aminobutanoic acid O-Methylphosphate Malonic acid Valine C12 hydrocarbon Urea Benzoic acid Ethanolamine Phosphoric acid Glycerol C13 hydrocarbon Isoleucine/Leucine Proline Maleic acid Glycine 5-(Hydroxymethyl)furfural Succinic acid 2,3-Dihydroxypyridine MSTFA artifact Uracil Fumaric acid Serine 6-Methyluracil Threonic acid/erythronic acid Threonine Hydroquinone Aspartic acid beta-Alanine Aminomalonic acid Nicotinamide Malic acid C15 hydrocarbon Threitol/erythritol Tris Hydroxyprolines gamma-Aminobutyric acid Erythronic acid/Threonic acid 7H-Purine/Phenylalanine Creatinine/Cysteine 2-Hydroxyglutaric acid Phosphoenolpyruvic acid 2-Hydroxybiphenyl Benzene-1,2,4-triol/hypotaurine 5-Aminovaleric acid Glutamic acid Phenylalanine N-Acetylaspartic acid Pyrophosphate Asparagine Taurine Aldopentoses Cysteinesulfinic acid 2-Aminoadipic acid Pentitols Ornithine Putrescine Dihydroxyacetone phosphate Orotic acid Glycerol 1-phosphate Glutamine Pentonic acids O-Phosphocolamine Gentisic acid Hypoxanthine Citric acid/isocitric acid deuterated Myristic Acid (RTL std) Dehydroascorbic acid Myristic acid or Pentadecanol cis-3,5-Dimethoxycinnamic acid Fructose or similar ketohexose Tyramine Glucose and other aldohexoses Sedoheptulose or similar sugar p-Hydroxyphenyllactic acid C19 hydrocarbon Lysine Hexitols Tyrosine Ascorbic acid Pentadecanoic acid Erythrose-4-phosphate Ononitol or similar methoxyinositol Gly-Pro Hexadecanol Pantothenic acid Xanthine Palmitic acid Dopamine/5-Hydroxylysine Myoinositol Ketopentose-5-phosphate C21 Hydrocarbon Heptadecanoic acid/Octadecanol C22 hydrocarbon Spermidine Linoleic acid Tryptophan Oleic acid Stearic acid Fructose-6-phosphate Glucose-6-phosphate or similar 1-Eicosanol Arachidonic acid (also Eicosapentaenoic acid) Purine riboside Myoinositol-2-phosphate Arachidic acid Uridine/pseudouridine O-Benzyltyrosine beta-Monopalmitin Docosahexaenoic acid Inosine alpha-Monopalmitin cis-13-Docosenoic acid N-Acetylneuraminic acid Sucrose and similar disaccharides Adenosine Docosanoic acid Disaccharide Tricosanoic acid beta-Monostearin Guanosine alpha-Monostearin cis-15-Tetracosenoic acid Uridine 5'-monophosphate Melbiose or similar disaccharide Tetracosanoic acid Adenosine-5'-monophosphate 5-Cholesten-3-beta-7-alpha-diol alpha-Tocopherol Cholesterol 5-alpha-Coprostanol or similar oxysterol Campesterol beta-Sitosterol