Clustering data with hclust algorithm for Toxicokinetics and Metabolomic Disrupting of the Flame Retardant Mixture Firemaster 550 (Study ST000415)
GC POSITIVE ION MODE (Analysis AN000657)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| urea | ME137128 | 2.58 | 0.50 | 0.65 | 0.60 | 0.58 | 0.56 |
| glucose-6-phosphate major | ME137148 | 1.12 | 0.80 | 0.22 | 0.15 | 2.53 | 1.21 |
| alpha-ketoglutarate | ME137141 | 0.71 | 0.78 | 0.44 | 0.85 | 1.40 | 2.08 |
| N-acetyl-L-aspartic acid 1 | ME137146 | 0.78 | 0.82 | 0.72 | 0.68 | 1.29 | 1.92 |
| behenic acid | ME137180 | 1.51 | 1.01 | 1.25 | 0.19 | 1.13 | 0.66 |
| cystine | ME137173 | 0.97 | 0.88 | 0.81 | 0.66 | 1.72 | 1.04 |
| glutamine 3TMS major | ME137174 | 0.82 | 0.97 | 0.62 | 0.70 | 1.69 | 1.31 |
| uridine minor | ME137184 | 0.75 | 1.43 | 0.65 | 0.73 | 1.46 | 0.90 |
| guanosine | ME137185 | 0.90 | 1.53 | 0.65 | 0.80 | 1.28 | 0.60 |
| maleimide | ME137163 | 0.78 | 1.53 | 0.80 | 0.80 | 1.09 | 0.84 |
| 1-monopalmitin | ME137165 | 0.96 | 1.04 | 0.64 | 1.22 | 1.13 | 1.01 |
| palmitoleic acid | ME137142 | 0.83 | 0.99 | 0.66 | 1.26 | 1.38 | 0.96 |
| 1-monostearin | ME137158 | 0.93 | 1.04 | 0.86 | 1.22 | 0.90 | 1.06 |
| isoleucine minor | ME137192 | 0.85 | 1.08 | 1.19 | 0.74 | 1.00 | 1.18 |
| arachidiic acid | ME137139 | 0.89 | 1.13 | 0.92 | 0.96 | 1.09 | 1.00 |
| benzoic acid | ME137131 | 0.84 | 1.11 | 1.04 | 1.00 | 1.02 | 1.01 |
| glucose-1-phosphate | ME137188 | 0.95 | 1.01 | 1.06 | 0.89 | 0.96 | 1.15 |
| serine minor | ME137147 | 0.93 | 1.06 | 1.03 | 0.93 | 0.97 | 1.08 |
| fructose | ME137162 | 0.97 | 1.11 | 0.99 | 0.89 | 0.95 | 1.06 |
| threonine minor | ME137152 | 0.95 | 1.12 | 0.99 | 0.89 | 0.94 | 1.07 |
| myristic acid | ME137136 | 0.96 | 1.07 | 0.93 | 0.97 | 0.93 | 1.12 |
| heptadecanoic acid | ME137140 | 0.93 | 1.05 | 0.98 | 1.00 | 0.95 | 1.08 |
| stearic acid | ME137125 | 0.92 | 1.04 | 1.01 | 1.03 | 0.98 | 1.04 |
| fructose 2 | ME137161 | 1.02 | 1.14 | 0.99 | 0.88 | 0.94 | 0.96 |
| glycolic acid | ME137178 | 0.93 | 1.12 | 1.06 | 0.84 | 0.98 | 1.04 |
| pelargonic acid | ME137137 | 0.90 | 1.11 | 1.13 | 0.86 | 1.00 | 0.99 |
| octadecanol | ME137159 | 0.96 | 1.10 | 1.02 | 1.04 | 0.84 | 1.02 |
| salicylic acid | ME137145 | 0.95 | 1.06 | 1.05 | 1.02 | 0.75 | 1.15 |
| n-acetylgalactosamine | ME137187 | 1.07 | 1.03 | 1.06 | 1.01 | 0.87 | 0.90 |
| trans-4-hydroxy-L-proline minor1 | ME137175 | 0.95 | 1.17 | 1.14 | 0.92 | 0.82 | 0.94 |
| aspartate minor | ME137151 | 0.80 | 0.98 | 1.23 | 1.14 | 0.93 | 1.04 |
| hexose-6-phosphate | ME137190 | 0.79 | 1.06 | 1.14 | 0.98 | 1.13 | 0.98 |
| creatine major dehydrated TMS3 | ME137171 | 0.79 | 0.96 | 1.13 | 0.98 | 1.14 | 1.14 |
| proline | ME137167 | 0.83 | 1.03 | 1.06 | 0.95 | 1.10 | 1.10 |
| 2-monopalmitin | ME137191 | 0.93 | 1.16 | 0.71 | 0.95 | 1.31 | 0.90 |
| linoleic acid | ME137135 | 1.00 | 1.17 | 0.68 | 0.87 | 1.17 | 1.00 |
| ribitol | ME137157 | 0.97 | 1.09 | 0.70 | 0.93 | 1.14 | 1.14 |
| cellobiose | ME137164 | 0.82 | 1.11 | 0.90 | 0.72 | 1.35 | 1.13 |
| glucose | ME137193 | 0.78 | 1.01 | 0.87 | 0.91 | 1.44 | 1.10 |
| glucose 2 | ME137194 | 0.81 | 0.99 | 0.88 | 0.90 | 1.44 | 1.06 |
| aminomalonic acid | ME137176 | 0.95 | 1.02 | 0.90 | 0.73 | 1.03 | 1.38 |
| leucine | ME137166 | 1.03 | 0.94 | 0.93 | 0.92 | 1.14 | 1.06 |
| oxoproline | ME137130 | 1.10 | 0.89 | 0.90 | 0.87 | 1.11 | 1.14 |
| tryptophan | ME137168 | 0.96 | 1.05 | 0.81 | 0.81 | 1.20 | 1.17 |
| phenylalanine | ME137155 | 1.01 | 0.99 | 0.85 | 0.83 | 1.21 | 1.12 |
| isoleucine | ME137172 | 0.98 | 1.02 | 0.88 | 0.84 | 1.18 | 1.11 |
| valine | ME137143 | 1.01 | 1.02 | 0.86 | 0.84 | 1.15 | 1.11 |
| citric acid | ME137133 | 0.92 | 0.99 | 0.96 | 0.79 | 1.15 | 1.24 |
| malic acid | ME137179 | 0.95 | 1.01 | 0.88 | 0.86 | 1.12 | 1.21 |
| threonine | ME137156 | 0.95 | 1.08 | 0.89 | 0.82 | 1.09 | 1.17 |
| alanine | ME137182 | 0.92 | 1.07 | 0.97 | 0.90 | 1.07 | 1.07 |
| succinic acid | ME137181 | 0.92 | 1.00 | 1.02 | 0.87 | 1.14 | 1.08 |
| serine | ME137154 | 0.89 | 1.16 | 0.90 | 0.89 | 1.01 | 1.12 |
| 1,5-anhydroglucitol | ME137129 | 0.99 | 1.10 | 0.90 | 0.85 | 1.03 | 1.08 |
| shikimic acid | ME137144 | 0.97 | 1.07 | 0.89 | 0.86 | 1.11 | 1.08 |
| lysine | ME137149 | 1.04 | 0.95 | 0.83 | 0.74 | 1.28 | 1.17 |
| histidine 2 | ME137170 | 1.02 | 0.93 | 0.79 | 0.81 | 1.31 | 1.17 |
| tyrosine | ME137160 | 1.03 | 0.97 | 0.80 | 0.79 | 1.27 | 1.15 |
| glycine | ME137126 | 0.95 | 0.88 | 0.89 | 0.82 | 1.41 | 1.13 |
| beta alanine | ME137186 | 0.99 | 0.91 | 0.83 | 0.75 | 1.40 | 1.18 |
| ornithine 4TMS | ME137169 | 0.98 | 0.94 | 0.83 | 0.78 | 1.38 | 1.14 |
| 2-hydroxybutanoic acid | ME137138 | 0.91 | 1.02 | 0.84 | 0.70 | 1.24 | 1.32 |
| n-methylalanine | ME137177 | 0.89 | 1.02 | 0.87 | 0.78 | 1.20 | 1.30 |
| udp-n-acetylglucosamine | ME137189 | 0.90 | 0.92 | 0.89 | 0.79 | 1.29 | 1.31 |
| uric acid | ME137153 | 0.93 | 0.96 | 0.83 | 0.81 | 1.30 | 1.23 |
| glycerol | ME137127 | 0.85 | 1.27 | 0.70 | 0.65 | 1.25 | 1.22 |
| enolpyruvate nist | ME137195 | 1.09 | 1.30 | 0.74 | 0.66 | 1.01 | 1.00 |
| glutamic acid 2TMS | ME137150 | 1.07 | 1.25 | 0.84 | 0.73 | 0.95 | 1.00 |
| beta-hydroxybutyric acid | ME137134 | 0.99 | 1.16 | 0.89 | 0.66 | 1.05 | 1.17 |
| uracil | ME137183 | 0.92 | 1.22 | 0.83 | 0.77 | 1.11 | 1.07 |
| phosphate | ME137124 | 1.09 | 1.18 | 0.93 | 0.88 | 1.07 | 0.72 |
| phthalate ester | ME137132 | 1.32 | 1.09 | 0.96 | 0.82 | 0.73 | 0.88 |
Factors:
| F1 | Group:CONTROL | Gender of Pup in Placenta:F |
| F2 | Group:CONTROL | Gender of Pup in Placenta:M |
| F3 | Group:HIGHDOSE | Gender of Pup in Placenta:F |
| F4 | Group:HIGHDOSE | Gender of Pup in Placenta:M |
| F5 | Group:LOWDOSE | Gender of Pup in Placenta:F |
| F6 | Group:LOWDOSE | Gender of Pup in Placenta:M |
