Data for ST000895
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
---|---|---|---|---|---|---|
1,3-Dihydroxyacetone | 18.28 | 16.27 | 15.93 | 17.57 | 18.47 | |
1,4:3,6-Dianhydroglucitol | 21.37 | 21.44 | 21.35 | 21.32 | 21.64 | |
1,5-Anhydroglucitol | 24.62 | 24.86 | 24.89 | 24.80 | 24.98 | |
1-Dodecanol | 18.20 | 18.35 | 18.26 | 18.19 | 18.53 | |
1-Eicosanol/Nonadecanoic acid | 17.61 | 18.25 | 18.21 | 18.41 | 18.08 | |
2-Aminoadipic acid | 22.01 | 22.17 | 22.03 | 21.78 | 22.04 | |
2-Deoxyuridine | 14.99 | 14.65 | 15.45 | 14.63 | 15.10 | |
2-Ethylhexanoic acid | 12.97 | 13.54 | 12.71 | 12.83 | 13.33 | |
2-Hydroxybutyric acid | 18.21 | 18.42 | 18.66 | 18.85 | 19.06 | |
2-Hydroxyglutaric acid | 17.44 | 17.67 | 17.68 | 17.74 | 18.07 | |
2-Hydroxypyridine | 18.38 | 18.38 | 18.67 | 18.43 | 18.73 | |
2-Ketoisoleucine | 23.73 | 23.96 | 23.83 | 23.75 | 23.90 | |
2-Ketoleucine | 16.53 | 16.25 | 16.36 | 16.11 | 16.48 | |
2-Ketovaline | 17.57 | 17.48 | 17.50 | 17.86 | 18.04 | |
2-Phenylacetic acid | 14.52 | 13.87 | - | 15.05 | 13.53 | |
3-(3-Hydroxyphenyl)propionic acid | 16.95 | 17.32 | 17.31 | 17.37 | 17.60 | |
3-(4-Hydroxyphenyl)propionic acid | 16.44 | 16.62 | 16.55 | 16.59 | 16.89 | |
3-Aminoisobutyric acid/beta-Alanine | 17.56 | 17.87 | 17.67 | 17.71 | 17.99 | |
3-Indolelactic acid/Tryptophan | 17.49 | 17.45 | 17.34 | 17.34 | 17.68 | |
3-Nitrotyrosine, but more likely tryptophan | 16.98 | 17.16 | 16.89 | 17.33 | 17.86 | |
4-Hydroxymandelic acid | 14.86 | 14.53 | 14.60 | 14.90 | 14.86 | |
4-Hydroxyphenylacetic acid | 17.29 | 17.02 | 17.42 | 17.39 | 17.91 | |
4-Hydroxypyridine | 17.19 | 17.60 | 17.20 | 17.36 | 18.90 | |
5-alpha-Coprostanol or similar oxysterol | 19.69 | 19.33 | 19.35 | 19.41 | 19.48 | |
5-Hydroxylysine | - | 14.17 | 14.91 | 14.00 | 15.01 | |
6-Deoxyhexose | 17.79 | 18.05 | 18.21 | 18.01 | 18.12 | |
6-Hydroxynicotinic acid | 14.55 | 14.59 | 14.63 | 14.87 | 14.93 | |
Acetoacetate/2-Aminoisobutanoic acid | 18.66 | 18.59 | 18.03 | 18.60 | 18.78 | |
Acetylsalicylic acid/Salicylic acid | 13.10 | 13.12 | 13.18 | 13.65 | 13.06 | |
Adenosine/Inosine | - | - | 15.85 | 15.29 | 15.61 | |
Alanine | 21.66 | 21.45 | 21.90 | 21.54 | 21.80 | |
Aldopentoses | 20.98 | 21.75 | 21.42 | 21.25 | 21.81 | |
Alizarin | 15.12 | 15.79 | 14.36 | 15.57 | 13.19 | |
Allantoin | 18.80 | 19.30 | 19.66 | 18.98 | 19.49 | |
alpha Ketoglutaric acid | 19.98 | 20.39 | 20.32 | 20.24 | 20.96 | |
alpha-Monopalmitin | 24.20 | 23.96 | 24.14 | 24.06 | 23.90 | |
alpha-Monostearin | 26.38 | 26.23 | 26.48 | 26.38 | 26.29 | |
alpha-Tocopherol | 20.18 | 20.71 | 20.50 | 20.67 | 20.83 | |
Aminomalonic acid | 21.05 | 21.23 | 21.25 | 21.32 | 21.57 | |
Arachidic acid/ 1-Heneicosanol | 18.24 | 18.04 | 18.24 | 18.23 | 18.45 | |
Arachidonic acid (also Eicosapentaenoic acid) | 22.72 | 23.25 | 23.20 | 22.92 | 23.40 | |
Arginine | 18.15 | 18.43 | 18.78 | 17.91 | 18.50 | |
Asparagine | 18.15 | 18.21 | 17.93 | 18.04 | 18.58 | |
Aspartic acid | 16.35 | 16.02 | 15.93 | 16.16 | 15.99 | |
Azelaic acid | 24.41 | 24.75 | 24.63 | 24.55 | 24.80 | |
Benzoic acid | 20.54 | 20.50 | 20.32 | 20.79 | 20.36 | |
beta-Hydroxybutyric acid | 24.23 | 24.88 | 24.58 | 24.69 | 24.90 | |
beta-Monopalmitin | 20.47 | 20.26 | 20.45 | 20.25 | 20.29 | |
beta-Monostearin | 23.18 | 22.88 | 23.03 | 22.93 | 22.77 | |
beta-Sitosterol | 21.06 | 21.11 | 21.05 | 21.18 | 21.34 | |
Butyro-1,4-lactam | 14.14 | 14.86 | 15.09 | 14.70 | 14.53 | |
C10 hydrocarbon | 15.98 | 15.75 | 15.71 | 15.62 | 15.91 | |
C11 hydrocarbon | 16.91 | 17.66 | 15.78 | 16.36 | 16.98 | |
C12 hydrocarbon | 15.44 | 15.81 | 15.48 | 15.27 | 15.76 | |
C13 hydrocarbon | 18.71 | 18.42 | 18.45 | 18.60 | 18.86 | |
C14 Hydrocarbon | 14.57 | 14.57 | 14.74 | 14.86 | 14.56 | |
C15 hydrocarbon | 18.59 | 18.57 | 18.55 | 18.48 | 18.68 | |
C16 Hydrocarbon | 16.47 | 16.50 | 16.45 | 16.55 | 16.25 | |
C17 hydrocarbon | 15.72 | 15.84 | 15.92 | 15.73 | 15.77 | |
C20 Hydrocarbon | 15.14 | 15.37 | 16.03 | 16.21 | - | |
C21 Hydrocarbon | 18.14 | 18.40 | 17.52 | 17.41 | 16.98 | |
C22 hydrocarbon | 16.50 | - | - | - | 21.20 | |
C23 Hydrocarbon | 15.61 | 14.78 | 15.81 | 15.32 | 15.50 | |
C25 hydrocarbon | 15.84 | 15.96 | 15.82 | 15.50 | 15.87 | |
Campesterol | 23.34 | 23.37 | 23.23 | 23.35 | 23.56 | |
Carnitine | 15.26 | 14.74 | 15.04 | 14.89 | 14.72 | |
Cholesterol | 27.39 | 27.38 | 27.37 | 27.35 | 27.27 | |
Cholic acid or similar bile acid | 17.85 | 17.30 | 17.69 | 16.81 | 15.67 | |
Citric acid/isocitric acid | 22.98 | 23.40 | 23.46 | 23.44 | 23.52 | |
Creatinine | 20.23 | 20.37 | 20.08 | 20.39 | 19.72 | |
Cystine | 16.20 | 15.67 | 17.28 | 18.74 | 18.74 | |
Decanoic acid | 18.81 | 18.93 | 18.77 | 18.78 | 19.00 | |
Dehydroalanine (possibly from cysteine) | 15.45 | 14.67 | 15.74 | 15.89 | 16.27 | |
Dehydroascorbic acid (possibly alpha-ketoglutarate) | 16.73 | 18.23 | 19.32 | 18.22 | 19.40 | |
deuterated Myristic Acid (RTL std) | 23.60 | 23.69 | 23.63 | 23.63 | 23.82 | |
Diethanolamine | 14.86 | 14.49 | 14.75 | 14.60 | 14.84 | |
Disaccharide | 15.31 | 15.29 | 15.23 | 15.16 | 15.89 | |
Docosahexaenoic acid | 21.33 | 22.08 | 22.00 | 21.73 | 22.19 | |
Docosanoic acid | 15.37 | 14.74 | 15.38 | 14.99 | 14.98 | |
Eicosapentaenoic acid | 19.59 | 19.38 | 19.44 | 19.19 | 19.04 | |
Erythritol/Theitol | 18.51 | 18.66 | 18.84 | 18.70 | 19.04 | |
Erythronic acid | 18.08 | 18.16 | 18.16 | 18.15 | 18.34 | |
Ethanolamine | 18.88 | 19.42 | 19.64 | 18.90 | 18.95 | |
Flavonoid or short-chain cholesterol ester | 18.06 | 17.99 | 18.21 | 17.98 | 18.46 | |
Fructose-6-phosphate | 15.30 | 14.31 | 13.40 | 13.89 | 13.03 | |
Fructose or similar ketohexose | 20.35 | 20.78 | 20.90 | 20.91 | 21.21 | |
Fucosterol | 16.87 | 17.02 | 17.17 | 16.48 | 16.97 | |
Fumaric acid | 17.59 | 17.27 | 17.36 | 17.45 | 18.65 | |
gamma-Hydroxybutyric acid | 17.34 | 17.40 | 17.37 | 17.25 | 17.66 | |
gamma-Tocopherol | 15.04 | 14.02 | 14.29 | 14.82 | 14.50 | |
Gluconic acid or similar sugar acid | 18.76 | 18.64 | 19.72 | 19.21 | 20.23 | |
Glucose-6-phosphate or similar | 15.91 | 16.86 | 15.67 | 16.43 | 16.59 | |
Glucose and other aldohexoses | 26.90 | 26.91 | 26.90 | 26.91 | 26.99 | |
Glutamic acid | 19.93 | 19.99 | 19.78 | 19.64 | 19.84 | |
Glutamine | 22.64 | 22.81 | 24.07 | 23.34 | 23.89 | |
Glutaric acid | 16.93 | 16.52 | 16.39 | 16.67 | 16.95 | |
Glyceric acid | 20.08 | 20.33 | 20.29 | 20.21 | 20.32 | |
Glycerol | 25.70 | 25.86 | 25.74 | 25.76 | 25.82 | |
Glycerol 1-phosphate | 22.26 | 23.46 | 23.50 | 23.16 | 23.26 | |
Glycine | 22.87 | 23.39 | 23.51 | 23.60 | 23.55 | |
Glycolic acid | 17.61 | 18.79 | 18.34 | 17.88 | 17.29 | |
Glyoxylic acid | 17.02 | 17.12 | 16.52 | 17.58 | 17.15 | |
Guanine | 15.79 | 16.53 | 17.24 | 17.59 | 17.30 | |
Guanosine | 18.52 | 16.98 | 17.41 | - | 17.49 | |
Heptadecanoic acid/Octadecanol | 19.71 | 19.75 | 19.81 | 19.84 | 19.97 | |
Hexanoic acid (and/or Glycolic acid) | 14.87 | 17.09 | 15.64 | 15.46 | 15.44 | |
Hexitols | 20.90 | 21.32 | 21.30 | 21.16 | 21.39 | |
Hexosamine | 19.66 | 17.90 | 19.63 | 19.61 | 19.89 | |
Hexuronic acid | 16.31 | 16.83 | 16.63 | 16.57 | 17.19 | |
Homocysteine | 14.93 | 14.91 | 14.28 | 15.26 | 15.40 | |
Homoserine | 17.35 | 17.22 | 17.20 | 17.25 | 17.37 | |
Hydroxyprolines | 18.51 | 18.56 | 18.42 | 18.29 | 18.54 | |
Hypotaurine | 17.27 | 18.19 | 17.95 | 18.56 | 18.68 | |
Hypoxanthine | 16.82 | 17.24 | 18.35 | 17.35 | 17.46 | |
Inosine/Adenosine | 20.55 | 21.81 | 22.76 | 23.26 | 22.93 | |
Isoleucine/Leucine | 21.26 | 21.06 | 21.01 | 20.73 | 21.03 | |
Ketopentose-5-phosphate | 16.37 | 15.56 | 14.72 | 15.34 | 15.00 | |
Lactic acid | 26.59 | 26.61 | 26.47 | 26.40 | 26.49 | |
Lauric acid | 22.26 | 22.32 | 22.24 | 22.21 | 22.47 | |
Linoleic acid | 25.31 | 25.72 | 25.59 | 25.54 | 25.82 | |
Lysine | 22.82 | 23.36 | 24.16 | 23.90 | 24.23 | |
Maleic acid | 19.72 | 20.19 | 20.63 | 20.51 | 21.11 | |
Malic acid | 21.52 | 21.86 | 21.67 | 21.72 | 21.91 | |
Malonic acid | 15.98 | 17.34 | 16.52 | 16.98 | 17.18 | |
Methionine | 19.16 | 18.84 | 18.55 | 18.61 | 18.72 | |
Methionine sulfoxide | 17.51 | 17.76 | 17.80 | 17.63 | 18.16 | |
Methyl eicosatrienoate/Methyl arachidonate | 20.20 | 20.97 | 20.77 | 20.54 | 20.57 | |
Methyl linoleate | 21.55 | 21.92 | 21.88 | 21.84 | 21.88 | |
Methyl oleate | 19.20 | 19.75 | 19.72 | 19.76 | 19.27 | |
Methyl palmitate | 22.26 | 22.63 | 22.52 | 22.38 | 22.39 | |
Methyl stearate | 22.55 | 22.72 | 22.67 | 22.52 | 22.42 | |
MSTFA artifact | 18.84 | 19.00 | 19.50 | 19.52 | 19.68 | |
Myoinositol | 23.36 | 23.46 | 23.28 | 23.27 | 23.15 | |
Myoinositol-2-phosphate | 18.39 | 18.00 | 18.76 | 18.53 | 19.06 | |
Myristic acid or Pentadecanol | 21.40 | 21.50 | 21.52 | 21.46 | 21.69 | |
N-Acetylglycine | 16.63 | 15.97 | 16.57 | 16.46 | 16.72 | |
N-Acetylleucine | 15.29 | 15.34 | 15.60 | 15.06 | 15.43 | |
N-Acetyltryptophan | 14.40 | 15.11 | 15.66 | 15.97 | 15.71 | |
N-Acetyltyrosine | 16.41 | 16.73 | 16.90 | 16.25 | 17.28 | |
Nicotinic acid | 20.47 | 20.81 | 21.66 | 20.84 | 20.90 | |
N-Methylalanine/2-Aminobutanoic acid/N-Ethylglycine | 16.61 | 16.11 | 16.42 | 16.00 | 16.38 | |
N-Methylglutamic acid | 17.23 | 16.72 | 15.57 | 16.13 | 16.35 | |
Nonanoic acid | 19.19 | 19.47 | 19.31 | 19.20 | 19.54 | |
Octanoic acid | 18.39 | 18.00 | 18.14 | 17.50 | 18.05 | |
Oleic acid | 24.52 | 24.87 | 24.74 | 24.61 | 24.80 | |
O-Methylphosphate | 17.78 | 17.75 | 17.75 | 17.95 | 17.85 | |
O-Phosphocolamine | 16.37 | 15.64 | 15.70 | 16.51 | 17.03 | |
Ornithine | 21.57 | 22.54 | 22.06 | 22.22 | 22.50 | |
Palmitic acid | 25.64 | 25.75 | 25.77 | 25.70 | 25.84 | |
Palmitoleic acid | 21.93 | 22.38 | 22.25 | 22.20 | 22.37 | |
Pantothenic acid | 18.34 | 18.35 | 18.17 | 18.13 | 18.03 | |
Pentadecanoic acid/Hexadecanol | 14.20 | 13.84 | 14.82 | 16.16 | 16.30 | |
Pentitols | 18.88 | 18.61 | 19.09 | 18.87 | 18.61 | |
Pentonic acids | 16.81 | 17.25 | 17.20 | 18.29 | - | |
Phenol | 16.08 | 16.03 | 14.89 | 14.98 | 14.97 | |
Phenylalanine | 21.25 | 21.33 | 21.11 | 21.10 | 21.11 | |
Phosphoric acid | 24.92 | 24.91 | 25.00 | 24.82 | 24.90 | |
p-Hydroxyphenyllactic acid | 16.98 | 17.61 | 17.27 | 16.75 | 16.27 | |
Pimelic acid | 18.07 | 17.96 | 17.82 | 17.53 | 17.92 | |
Proline | 20.60 | 19.81 | 20.10 | 19.61 | 20.17 | |
Prunetin or similar isoflavone | 15.22 | 14.90 | 14.95 | 14.62 | 15.08 | |
Pseudouridine | 19.82 | 19.24 | 20.41 | 20.21 | 20.72 | |
Purine riboside | 18.49 | 19.01 | 19.03 | 18.67 | 19.18 | |
Putrescine | 13.85 | 14.40 | 14.86 | 14.21 | 14.25 | |
Pyrophosphate | - | 14.13 | 16.56 | 17.02 | 16.80 | |
Pyrrole -2-carboxylic acid | 13.52 | 13.67 | 13.92 | 13.70 | 13.80 | |
Pyruvic acid | 21.59 | 20.36 | 21.04 | 20.40 | 21.58 | |
Sebacic acid | 18.29 | 18.28 | 17.86 | 17.85 | 18.27 | |
Serine | 22.31 | 22.09 | 21.93 | 21.86 | 21.92 | |
Serotonin | 13.30 | 12.94 | 12.86 | 12.87 | 13.75 | |
Siloxanes_R1 | 16.70 | 17.35 | 17.30 | 17.92 | 17.34 | |
Siloxanes_R10 | 14.74 | - | 14.45 | 13.96 | 14.72 | |
Siloxanes_R11 | 14.05 | 15.01 | 14.46 | 14.29 | 14.18 | |
Siloxanes_R2 | 15.76 | 16.17 | 15.03 | 16.10 | 15.49 | |
Siloxanes_R3 | 16.01 | 16.04 | 15.56 | 16.03 | 15.73 | |
Siloxanes_R4 | 14.96 | 15.70 | 15.51 | 15.05 | 15.86 | |
Siloxanes_R5 | 14.94 | 14.23 | 14.51 | 14.72 | 14.92 | |
Siloxanes_R6 | 14.49 | 14.37 | 14.29 | 14.18 | 14.21 | |
Siloxanes_R7 | 15.06 | 15.51 | 14.56 | 15.70 | 16.61 | |
Siloxanes_R8 | 14.61 | 15.48 | 14.63 | 13.94 | 15.61 | |
Siloxanes_R9 | 13.84 | 14.40 | 14.41 | 14.00 | 14.40 | |
Sphingosine | 15.98 | 15.03 | 15.65 | 15.55 | 16.62 | |
Squalene | 16.13 | 15.59 | 16.00 | 14.93 | 15.11 | |
Stearamide | 18.40 | 18.68 | 18.32 | 17.80 | 18.29 | |
Stearic acid | 25.30 | 25.38 | 25.43 | 25.39 | 25.58 | |
Succinic acid | 21.64 | 21.96 | 21.80 | 21.88 | 21.93 | |
Sucrose and similar disaccharides | 17.08 | 17.12 | 16.67 | 16.99 | 17.58 | |
Tetracosanoic acid | 15.25 | 14.21 | 14.98 | 14.60 | 14.92 | |
Tetradecanedioic acid | 15.72 | 16.77 | 16.03 | 15.21 | 13.87 | |
Threonic acid | 21.93 | 22.53 | 22.39 | 22.38 | 22.50 | |
Threonic acid/erythronic acid | 17.40 | 17.14 | 17.31 | 16.70 | 16.67 | |
Threonine | 22.59 | 22.57 | 22.40 | 22.37 | 22.42 | |
Threose/erythrose | 13.71 | 13.67 | 13.99 | 13.83 | 14.29 | |
Trisaccharide | 17.23 | 16.27 | 16.12 | 17.32 | 16.88 | |
Tryptamine/Norepinephrine | 15.65 | 17.10 | 16.54 | 16.98 | 17.55 | |
Tyrosine | 21.04 | 21.85 | 22.72 | 22.55 | 22.94 | |
Unknown-possibly propylene glycol | 22.86 | 23.18 | 23.23 | 23.10 | 23.23 | |
Uracil | 18.54 | 18.65 | 18.55 | 18.33 | 18.03 | |
Urea | 24.98 | 24.97 | 24.71 | 24.32 | 25.16 | |
Uric acid | 20.89 | 20.64 | 20.93 | 20.78 | 21.18 | |
Uridine | 16.77 | 16.61 | 16.62 | 16.60 | 16.70 | |
Urocanic acid | 15.20 | 15.92 | 15.05 | 16.23 | 16.21 | |
Valine | 22.38 | 22.61 | 22.59 | 22.36 | 22.45 | |
Xanthine | 18.93 | 19.55 | 19.90 | 19.19 | 19.88 | |
Xanthosine | 14.62 | 14.18 | 14.32 | 14.06 | 14.38 | |
Xanthurenic acid | 14.03 | 14.13 | 14.86 | 13.85 | 14.37 |
Factors:
F1 | Treatment:30mg/kg Sor |
F2 | Treatment:3mg/kg Trm |
F3 | Treatment:40mg/kg Sun |
F4 | Treatment:50mg/kg Erl |
F5 | Treatment:PBS Ctl |