Data for ST000431
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
---|---|---|---|---|---|---|---|---|
1,3-Dihydroxyacetone | 23.91 | 23.62 | 23.68 | 23.69 | 23.30 | 23.71 | - | |
2-Hydroxy-2-methylbutyric acid | 15.28 | 15.37 | 15.25 | 15.48 | 15.51 | 15.33 | - | |
2-Hydroxybutyric acid | 23.37 | 23.73 | 23.53 | 23.61 | 23.39 | 23.35 | 23.63 | |
2-Hydroxypyridine | 14.38 | 12.27 | 11.48 | 12.95 | 12.14 | 11.37 | 12.73 | |
2-Isopropylmalic acid | 19.26 | 20.00 | 18.60 | 19.65 | 20.08 | 19.32 | 20.21 | |
2-Ketoleucine | 20.80 | 19.50 | 19.93 | 20.32 | 19.61 | 19.99 | 20.76 | |
2-Ketovaline | 18.18 | 16.52 | 17.07 | 17.46 | 16.61 | 17.26 | 18.26 | |
5-Hydroxytryptophan | 17.28 | 14.54 | 14.44 | 15.56 | 14.60 | 15.34 | 17.72 | |
Alanine | 23.20 | 22.32 | 22.43 | 22.92 | 22.10 | 22.53 | 23.06 | |
alpha Ketoglutaric acid | 17.85 | 16.29 | 16.77 | 16.97 | 16.49 | 16.56 | 17.85 | |
alpha-Monopalmitin | 22.17 | 21.96 | 21.95 | 22.00 | 21.73 | 22.07 | 22.06 | |
alpha-Monostearin | 25.25 | 25.13 | 25.07 | 25.06 | 24.81 | 25.23 | 25.06 | |
Aminomalonic acid | 20.44 | 20.57 | 20.12 | 20.47 | 20.16 | 20.16 | 21.02 | |
Arginine/Citrulline | 19.15 | 18.43 | 18.55 | 18.80 | 18.31 | 18.94 | 17.82 | |
Asparagine | 18.80 | 17.31 | 17.66 | 17.94 | 17.19 | 17.78 | 18.74 | |
Aspartic acid | 17.64 | 17.11 | 16.34 | 17.55 | 16.68 | 16.82 | 18.25 | |
Benzoic acid | 16.84 | 16.77 | 16.91 | 16.82 | 16.71 | 16.58 | 17.07 | |
beta-Alanine | 12.66 | 12.52 | 12.01 | 9.32 | 12.53 | 12.44 | 12.43 | |
beta-Monopalmitin | 16.75 | 16.70 | 16.55 | 16.93 | 16.64 | 15.99 | 17.64 | |
beta-Monostearin | 19.89 | 19.90 | 19.53 | 19.69 | 19.39 | 19.85 | 19.95 | |
C10 hydrocarbon | 14.79 | 14.52 | 14.87 | 14.48 | 13.64 | 14.91 | 14.38 | |
C11 hydrocarbon | 14.43 | 15.84 | 14.72 | 14.95 | 15.47 | 14.37 | 15.57 | |
C12 hydrocarbon | 14.13 | 14.40 | 14.55 | 14.37 | 14.07 | 14.40 | 14.76 | |
C13 hydrocarbon | 16.91 | 16.92 | 16.94 | 16.83 | 16.68 | 16.82 | 16.78 | |
C15 hydrocarbon | 17.11 | - | 17.03 | 16.98 | - | 17.40 | 16.10 | |
C22 hydrocarbon | 14.30 | 14.55 | 14.20 | 13.64 | 13.92 | 14.12 | 13.91 | |
Citric acid/isocitric acid | 21.68 | 19.93 | 20.00 | 20.59 | 19.26 | 20.12 | 22.78 | |
Cysteine | 18.12 | 17.18 | 17.54 | 17.81 | 17.04 | 18.04 | 18.20 | |
Cysteinesulfinic acid | 13.21 | 13.69 | 13.22 | - | 13.98 | 13.16 | 12.75 | |
Cystine | 22.85 | 22.50 | 22.44 | 22.55 | 22.55 | 22.66 | 22.75 | |
Dehydroascorbic acid� | 25.28 | 24.55 | 25.11 | 25.65 | 24.89 | 25.78 | 24.27 | |
deuterated Myristic Acid (RTL std) | 22.32 | 22.24 | 22.25 | 22.29 | 22.22 | 22.30 | 22.33 | |
Dodecamethylpentasiloxane | 17.61 | 16.68 | 17.08 | 17.60 | 16.88 | 16.01 | 17.81 | |
epsilon-Caprolactam | 14.24 | 12.85 | 13.11 | 12.91 | 12.88 | 13.27 | 14.05 | |
Erythronic acid/threonic acid | 15.78 | 15.06 | 14.96 | 15.18 | 14.96 | 15.31 | 16.01 | |
Ethanolamine | 17.64 | 16.71 | 16.95 | 16.96 | 16.57 | 17.27 | 17.63 | |
Ethylmalonic acid | 23.53 | 23.05 | 23.68 | 23.69 | 23.30 | 23.71 | 22.56 | |
Fructose or similar ketohexose | 22.00 | 21.21 | 21.71 | 21.58 | 22.45 | 21.63 | 21.34 | |
Fumaric acid | 13.76 | 12.16 | 12.64 | 12.60 | 11.87 | 12.73 | 14.80 | |
Gentisic acid | 15.28 | 14.52 | 14.27 | 15.01 | 14.83 | 15.38 | - | |
Gluconic acid or similar sugar acid | 23.27 | 22.88 | 23.09 | 23.09 | 22.92 | 23.09 | 21.63 | |
Glucose and other aldohexoses 1 | 27.82 | 27.69 | 27.66 | 27.77 | 27.79 | 27.96 | 27.72 | |
Glucose and other aldohexoses 2 | 27.82 | 27.69 | 27.73 | 27.77 | 27.79 | 27.96 | 27.50 | |
Glucose and other aldohexoses 3 | 26.18 | 26.33 | 25.41 | 26.19 | 26.37 | 25.92 | 26.67 | |
Glutamic acid | 25.88 | 25.33 | 25.48 | 25.55 | 25.38 | 25.56 | 25.60 | |
Glutamine | 26.62 | 26.47 | 26.53 | 26.47 | 26.51 | 26.63 | 26.45 | |
Glyceric acid | - | - | - | - | - | - | 15.08 | |
Glycerol | 22.11 | 22.79 | 22.87 | 21.69 | 22.67 | 22.34 | 21.25 | |
Glycine | 24.40 | 23.93 | 23.98 | 24.03 | 23.78 | 24.13 | 24.43 | |
Glycolic acid | 15.14 | 14.05 | 14.14 | 14.07 | 14.16 | 12.82 | 15.51 | |
Glyoxylic acid | - | 13.01 | 13.21 | 12.85 | 13.11 | - | 12.92 | |
Guanine | 14.66 | - | - | 12.46 | - | 13.96 | - | |
Heptadecanoic acid/Octadecanol | - | - | 15.24 | 14.23 | 14.22 | - | 15.04 | |
Hexacosemethyldodecasiloxane | - | 12.76 | 14.23 | 13.55 | 13.16 | 12.80 | 14.21 | |
Hexitols | 27.09 | 27.02 | 27.04 | 27.05 | 26.91 | 27.07 | 27.08 | |
Hexose-6-phosphate | 17.12 | 17.13 | 17.91 | 18.57 | 19.01 | 19.34 | 19.13 | |
Histidine | 21.15 | 20.84 | 20.81 | 20.85 | 20.73 | 20.94 | 21.00 | |
Hydroquinone | 15.49 | 15.29 | 15.14 | 15.45 | 14.83 | 15.54 | 16.34 | |
Hydroxyprolines | 12.99 | 12.41 | 12.32 | 13.07 | 13.72 | 12.86 | 13.34 | |
Hypoxanthine | 15.28 | 14.69 | 13.79 | 14.41 | - | 13.94 | - | |
Isoleucine | 24.95 | 24.65 | 24.70 | 24.63 | 24.63 | 24.79 | 24.77 | |
Isomaltose or similar disaccharide | 19.93 | 19.47 | 19.59 | 19.69 | 19.63 | 19.82 | 19.93 | |
Lactic acid | 26.96 | 26.08 | 26.28 | 26.66 | 26.01 | 26.28 | 27.52 | |
Lactose or similar disaccharide | 19.00 | 18.24 | 18.62 | 18.55 | 18.46 | 18.67 | - | |
Leucine | 24.85 | 24.52 | 24.42 | 24.56 | 24.39 | 24.61 | 24.74 | |
Lysine | 25.65 | 25.36 | 25.35 | 25.34 | 25.30 | 25.52 | 25.34 | |
Malic acid | 17.59 | 16.14 | 16.42 | 16.84 | 15.72 | 16.28 | 18.01 | |
Malonic acid | 16.97 | 17.10 | 17.35 | 16.73 | 17.39 | 16.83 | 17.08 | |
Maltose or similar disaccharide | 18.48 | 18.20 | 18.27 | 18.13 | 17.81 | 18.44 | 17.97 | |
Methionine | 22.32 | 21.83 | 21.94 | 21.94 | 21.86 | 22.20 | 21.92 | |
Methionine sulfoxide | 15.28 | 15.54 | 15.86 | 14.60 | 15.01 | 14.94 | 15.30 | |
Methyl stearate | 18.04 | 18.73 | 17.68 | 18.05 | 17.29 | 17.13 | - | |
MSTFA artifact | 15.63 | 15.52 | 15.22 | 15.45 | 14.50 | 15.73 | 14.91 | |
Myoinositol | 22.29 | 22.15 | 22.13 | 22.22 | 22.18 | 22.30 | 22.26 | |
Myristic acid or Pentadecanol | 14.64 | 14.77 | 15.24 | 15.75 | 15.64 | 14.69 | 15.19 | |
Nicotinamide | 17.36 | 16.36 | 16.74 | 17.14 | 16.55 | 17.05 | 16.33 | |
Ornithine | 19.84 | 19.04 | 19.34 | 19.52 | 19.57 | 19.43 | 20.11 | |
Palmitic acid | 21.99 | 21.62 | 21.64 | 21.17 | 21.13 | 21.78 | 21.53 | |
Pantothenic acid | 19.67 | 19.73 | 19.34 | 19.60 | 19.63 | 19.77 | 19.73 | |
Pentitols | 16.71 | 13.60 | 14.51 | 14.77 | 13.98 | 15.18 | 17.25 | |
Phenylalanine | 24.46 | 23.96 | 24.05 | 24.11 | 24.02 | 24.26 | 24.13 | |
Phosphoric acid | 17.35 | 17.06 | 17.60 | 17.57 | 17.55 | 17.15 | 17.74 | |
Proline | 19.37 | 17.45 | 17.77 | 18.36 | 16.95 | 18.25 | 20.11 | |
Putrescine | 13.61 | 13.71 | 13.91 | 14.11 | 13.76 | 13.49 | 15.57 | |
Pyridoxine | 19.74 | 19.39 | 18.37 | 20.09 | 19.39 | 19.50 | 19.91 | |
Pyruvic acid | 21.88 | 22.52 | 22.46 | 22.43 | 22.57 | 22.26 | 21.34 | |
Sedoheptulose or similar sugar | 23.94 | 23.65 | 23.67 | 23.64 | 23.64 | 23.83 | 23.50 | |
Serine | 23.67 | 23.50 | 23.56 | 23.31 | 23.48 | 23.61 | 22.60 | |
Stearic acid | 22.25 | 22.06 | 22.09 | 21.92 | 21.75 | 22.10 | 22.00 | |
Succinic acid | 17.61 | 17.48 | 17.52 | 17.52 | 16.89 | 17.31 | 18.08 | |
Succinylacetone | 13.62 | 13.54 | 13.71 | 13.12 | 13.50 | 13.75 | - | |
Sucrose and similar disaccharides | 12.06 | 13.32 | 12.03 | 13.46 | 13.67 | 13.75 | 13.02 | |
Sulfuric acid | 15.39 | 16.57 | 14.57 | 13.57 | - | 16.59 | - | |
Tetracosamethylundecasiloxane | 12.81 | 14.22 | 12.42 | - | 14.80 | - | - | |
Threitol/erythritol | 15.86 | - | 15.00 | 15.13 | - | 15.63 | 15.98 | |
Threonine | 25.38 | 25.03 | 25.10 | 25.07 | 25.02 | 25.18 | 25.06 | |
Threose/erythrose | 12.96 | 13.04 | 12.43 | 13.53 | 13.55 | 12.74 | 12.89 | |
Tryptamine/Norepinephrine | 15.50 | 14.83 | 15.09 | 14.88 | 14.61 | 15.13 | 14.59 | |
Tryptophan | 21.34 | 20.72 | 20.75 | 20.90 | 20.73 | 21.21 | 21.38 | |
Tyrosine | 24.90 | 24.50 | 24.52 | 24.56 | 24.51 | 24.70 | 24.57 | |
Unoximated aldohexose | - | - | - | - | - | - | 13.44 | |
Valine | 24.44 | 24.10 | 23.89 | 24.20 | 23.77 | 24.39 | 24.60 |
Factors:
F1 | Group:12 hour reversal |
F2 | Group:1 hour reversal |
F3 | Group:3 hour reversal |
F4 | Group:6 hour reversal |
F5 | Group:6 hour stretch |
F6 | Group:no stretch-serum free |
F7 | Group:serum-no stretch |