Clustering data with hclust algorithm for (Study ST000431)
(Analysis AN000681)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|---|
| Tetracosamethylundecasiloxane | ME150005 | 0.95 | 1.05 | 0.92 | NA | 1.09 | NA | NA |
| Heptadecanoic acid/Octadecanol | ME150006 | NA | NA | 1.05 | 0.98 | 0.98 | NA | 1.04 |
| Glyoxylic acid | ME149921 | NA | 1.00 | 1.01 | 0.99 | 1.01 | NA | 0.99 |
| Hexacosemethyldodecasiloxane | ME150011 | NA | 0.95 | 1.06 | 1.01 | 0.98 | 0.96 | 1.06 |
| C15 hydrocarbon | ME149963 | 1.02 | NA | 1.01 | 1.01 | NA | 1.03 | 0.95 |
| Threitol/erythritol | ME149965 | 1.01 | NA | 0.96 | 0.97 | NA | 1.00 | 1.02 |
| Methyl stearate | ME150004 | 1.02 | 1.05 | 1.00 | 1.02 | 0.97 | 0.96 | NA |
| Gentisic acid | ME149979 | 1.03 | 0.98 | 0.96 | 1.01 | 1.00 | 1.03 | NA |
| Succinylacetone | ME149973 | 1.00 | 1.00 | 1.01 | 0.97 | 1.00 | 1.01 | NA |
| 2-Hydroxy-2-methylbutyric acid | ME149930 | 0.99 | 1.00 | 0.99 | 1.01 | 1.01 | 1.00 | NA |
| 1,3-Dihydroxyacetone | ME149942 | 1.01 | 1.00 | 1.00 | 1.00 | 0.98 | 1.00 | NA |
| Lactose or similar disaccharide | ME150018 | 1.02 | 0.98 | 1.00 | 1.00 | 0.99 | 1.00 | NA |
| Hypoxanthine | ME149981 | 1.06 | 1.02 | 0.96 | 1.00 | NA | 0.97 | NA |
| Sulfuric acid | ME149933 | 1.02 | 1.10 | 0.96 | 0.90 | NA | 1.10 | NA |
| Cysteinesulfinic acid | ME149975 | 0.99 | 1.03 | 1.00 | NA | 1.05 | 0.99 | 0.96 |
| beta-Alanine | ME149957 | 1.04 | 1.03 | 0.99 | 0.77 | 1.03 | 1.02 | 1.02 |
| 2-Hydroxypyridine | ME149924 | 1.15 | 0.98 | 0.92 | 1.03 | 0.97 | 0.91 | 1.02 |
| Fumaric acid | ME149953 | 1.06 | 0.94 | 0.98 | 0.97 | 0.92 | 0.98 | 1.14 |
| Malic acid | ME149961 | 1.05 | 0.97 | 0.98 | 1.01 | 0.94 | 0.98 | 1.08 |
| Citric acid/isocitric acid | ME149982 | 1.05 | 0.97 | 0.97 | 1.00 | 0.93 | 0.98 | 1.11 |
| Proline | ME149948 | 1.06 | 0.95 | 0.97 | 1.00 | 0.93 | 1.00 | 1.10 |
| 5-Hydroxytryptophan | ME150014 | 1.08 | 0.91 | 0.90 | 0.97 | 0.91 | 0.96 | 1.11 |
| Pentitols | ME149976 | 1.10 | 0.89 | 0.95 | 0.97 | 0.92 | 1.00 | 1.13 |
| Glycolic acid | ME149927 | 1.05 | 0.98 | 0.98 | 0.98 | 0.98 | 0.89 | 1.08 |
| Putrescine | ME149977 | 0.97 | 0.97 | 0.99 | 1.00 | 0.98 | 0.96 | 1.11 |
| C10 hydrocarbon | ME149922 | 1.02 | 1.00 | 1.02 | 1.00 | 0.94 | 1.03 | 0.99 |
| MSTFA artifact | ME149952 | 1.02 | 1.01 | 1.00 | 1.01 | 0.95 | 1.03 | 0.97 |
| Glycerol | ME149944 | 0.99 | 1.02 | 1.03 | 0.97 | 1.02 | 1.00 | 0.96 |
| Pyruvic acid | ME149925 | 0.99 | 1.01 | 1.01 | 1.01 | 1.02 | 1.00 | 0.96 |
| C22 hydrocarbon | ME150007 | 1.01 | 1.03 | 1.01 | 0.97 | 0.99 | 1.00 | 0.99 |
| Methionine sulfoxide | ME149987 | 1.00 | 1.02 | 1.04 | 0.96 | 0.99 | 0.98 | 1.01 |
| Tryptamine/Norepinephrine | ME150008 | 1.04 | 0.99 | 1.01 | 0.99 | 0.98 | 1.01 | 0.97 |
| Arginine/Citrulline | ME149984 | 1.03 | 0.99 | 1.00 | 1.01 | 0.99 | 1.02 | 0.96 |
| Nicotinamide | ME149962 | 1.04 | 0.98 | 1.00 | 1.02 | 0.99 | 1.02 | 0.97 |
| Gluconic acid or similar sugar acid | ME149989 | 1.02 | 1.00 | 1.01 | 1.01 | 1.00 | 1.01 | 0.95 |
| Serine | ME149954 | 1.01 | 1.00 | 1.01 | 1.00 | 1.00 | 1.01 | 0.97 |
| Dehydroascorbic acid� | ME149993 | 1.01 | 0.98 | 1.00 | 1.02 | 0.99 | 1.03 | 0.97 |
| Ethylmalonic acid | ME149945 | 1.00 | 0.98 | 1.01 | 1.01 | 0.99 | 1.01 | 0.96 |
| Fructose or similar ketohexose | ME149988 | 1.01 | 0.98 | 1.00 | 0.99 | 1.03 | 1.00 | 0.98 |
| Malonic acid | ME149935 | 1.00 | 1.00 | 1.02 | 0.98 | 1.02 | 0.99 | 1.00 |
| Phosphoric acid | ME149941 | 1.00 | 0.98 | 1.01 | 1.01 | 1.01 | 0.99 | 1.02 |
| Maltose or similar disaccharide | ME150020 | 1.02 | 1.00 | 1.00 | 1.00 | 0.98 | 1.01 | 0.99 |
| Palmitic acid | ME150001 | 1.02 | 1.00 | 1.00 | 0.98 | 0.98 | 1.01 | 1.00 |
| Tryptophan | ME150009 | 1.02 | 0.99 | 0.99 | 0.99 | 0.99 | 1.01 | 1.02 |
| beta-Monostearin | ME150019 | 1.01 | 1.01 | 0.99 | 1.00 | 0.98 | 1.01 | 1.01 |
| Valine | ME149937 | 1.01 | 1.00 | 0.99 | 1.00 | 0.98 | 1.01 | 1.02 |
| Pantothenic acid | ME150000 | 1.00 | 1.00 | 0.98 | 1.00 | 1.00 | 1.01 | 1.00 |
| Leucine | ME149943 | 1.01 | 1.00 | 0.99 | 1.00 | 0.99 | 1.00 | 1.01 |
| Glycine | ME149949 | 1.01 | 0.99 | 0.99 | 1.00 | 0.99 | 1.00 | 1.01 |
| Cystine | ME150012 | 1.01 | 0.99 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 |
| Isomaltose or similar disaccharide | ME150022 | 1.01 | 0.99 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 |
| C13 hydrocarbon | ME149946 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 1.00 |
| Methionine | ME149966 | 1.01 | 0.99 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 |
| Glutamic acid | ME149967 | 1.01 | 0.99 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 |
| Phenylalanine | ME149972 | 1.01 | 0.99 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 |
| Stearic acid | ME150010 | 1.01 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 |
| alpha-Monostearin | ME150021 | 1.01 | 1.00 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 |
| alpha-Monopalmitin | ME150016 | 1.01 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 |
| Histidine | ME149995 | 1.01 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 |
| Glucose and other aldohexoses 2 | ME149991 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 |
| Sedoheptulose or similar sugar | ME149998 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 |
| Tyrosine | ME149997 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| Threonine | ME149955 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| Isoleucine | ME149947 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| Lysine | ME149996 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| Glucose and other aldohexoses 1 | ME149992 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 |
| Myoinositol | ME150002 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| Hexitols | ME149994 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| deuterated Myristic Acid (RTL std) | ME149985 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| Glutamine | ME149978 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| C12 hydrocarbon | ME149938 | 0.98 | 1.00 | 1.01 | 1.00 | 0.98 | 1.00 | 1.03 |
| Aminomalonic acid | ME149959 | 1.00 | 1.01 | 0.99 | 1.00 | 0.99 | 0.99 | 1.03 |
| 2-Hydroxybutyric acid | ME149932 | 0.99 | 1.01 | 1.00 | 1.00 | 1.00 | 0.99 | 1.01 |
| Benzoic acid | ME149939 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 0.99 | 1.02 |
| beta-Monopalmitin | ME150015 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 0.96 | 1.06 |
| Dodecamethylpentasiloxane | ME149934 | 1.03 | 0.98 | 1.00 | 1.03 | 0.99 | 0.94 | 1.04 |
| Aspartic acid | ME149960 | 1.03 | 1.00 | 0.95 | 1.02 | 0.97 | 0.98 | 1.06 |
| epsilon-Caprolactam | ME149923 | 1.06 | 0.96 | 0.98 | 0.97 | 0.96 | 0.99 | 1.05 |
| 2-Ketovaline | ME149931 | 1.05 | 0.95 | 0.98 | 1.01 | 0.96 | 1.00 | 1.05 |
| alpha Ketoglutaric acid | ME149970 | 1.05 | 0.96 | 0.99 | 1.00 | 0.97 | 0.98 | 1.05 |
| Asparagine | ME149974 | 1.05 | 0.97 | 0.99 | 1.00 | 0.96 | 0.99 | 1.05 |
| Hydroquinone | ME149956 | 1.00 | 0.99 | 0.98 | 1.00 | 0.96 | 1.01 | 1.06 |
| Succinic acid | ME149950 | 1.01 | 1.00 | 1.00 | 1.00 | 0.96 | 0.99 | 1.03 |
| Ornithine | ME149983 | 1.02 | 0.97 | 0.99 | 1.00 | 1.00 | 0.99 | 1.03 |
| Alanine | ME149928 | 1.02 | 0.99 | 0.99 | 1.01 | 0.98 | 0.99 | 1.02 |
| 2-Ketoleucine | ME149936 | 1.03 | 0.97 | 0.99 | 1.01 | 0.97 | 0.99 | 1.03 |
| Lactic acid | ME149926 | 1.02 | 0.98 | 0.99 | 1.00 | 0.98 | 0.99 | 1.04 |
| Cysteine | ME149969 | 1.02 | 0.97 | 0.99 | 1.01 | 0.96 | 1.02 | 1.03 |
| Erythronic acid/threonic acid | ME149968 | 1.03 | 0.98 | 0.97 | 0.99 | 0.97 | 1.00 | 1.04 |
| Ethanolamine | ME149940 | 1.03 | 0.98 | 0.99 | 0.99 | 0.97 | 1.01 | 1.03 |
| C11 hydrocarbon | ME149929 | 0.96 | 1.05 | 0.98 | 1.00 | 1.03 | 0.96 | 1.04 |
| Myristic acid or Pentadecanol | ME149986 | 0.97 | 0.98 | 1.01 | 1.04 | 1.04 | 0.97 | 1.01 |
| Hydroxyprolines | ME149964 | 1.01 | 0.97 | 0.96 | 1.02 | 1.07 | 1.00 | 1.04 |
| Threose/erythrose | ME149958 | 1.00 | 1.01 | 0.96 | 1.05 | 1.05 | 0.98 | 1.00 |
| Pyridoxine | ME149990 | 1.01 | 0.99 | 0.94 | 1.03 | 1.00 | 1.00 | 1.02 |
| 2-Isopropylmalic acid | ME149971 | 0.98 | 1.02 | 0.95 | 1.00 | 1.03 | 0.99 | 1.03 |
| Glucose and other aldohexoses 3 | ME149999 | 1.00 | 1.01 | 0.97 | 1.00 | 1.01 | 0.99 | 1.02 |
| Hexose-6-phosphate | ME150013 | 0.93 | 0.93 | 0.98 | 1.01 | 1.04 | 1.05 | 1.04 |
| Sucrose and similar disaccharides | ME150017 | 0.92 | 1.02 | 0.92 | 1.03 | 1.04 | 1.05 | 0.99 |
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 |
