Data for ST003845
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 1-Methylnicotinamide | 26.98 | 39.34 | 19.12 | 38.04 | 7.94 | 17.06 | 3.06 | 10.22 | |
| 2-Hydroxyisovalerate | 36.24 | 52.76 | 36.00 | 32.30 | 40.94 | 30.18 | 49.02 | 37.00 | |
| 2-Hydroxyvalerate | 449.10 | 440.84 | 442.58 | 400.70 | 211.68 | 399.64 | 142.58 | 361.62 | |
| 3-Aminoisobutyrate | 264.78 | 511.54 | 343.10 | 699.94 | 495.36 | 473.48 | 440.28 | 590.28 | |
| 3-Hydroxybutyric acid | 385.50 | 496.18 | 309.28 | 347.00 | 182.56 | 320.78 | 205.96 | 280.60 | |
| 3-Hydroxyisovalerate | 20.36 | 40.82 | 45.26 | 17.98 | 33.04 | 33.46 | 52.20 | 22.02 | |
| 3-Indoxylsulfate | 77.88 | 127.22 | 129.72 | 185.04 | 82.74 | 134.40 | 112.00 | 98.70 | |
| 3-Methylhistidine | 637.30 | 854.58 | 859.10 | 1054.44 | 654.02 | 523.00 | 443.26 | 429.98 | |
| 4-Aminobutyrate | 108.02 | 213.08 | 140.52 | 139.64 | 89.30 | 140.28 | 66.30 | 142.28 | |
| 5-Aminopentanoate | 513.24 | 674.18 | 488.38 | 484.98 | 302.94 | 459.76 | 279.76 | 445.96 | |
| Acetamide | 37.42 | 76.52 | 54.94 | 44.22 | 27.00 | 50.06 | 34.34 | 43.72 | |
| Acetate | 399.04 | 678.64 | 450.64 | 407.54 | 354.68 | 380.48 | 302.96 | 509.74 | |
| Acetoacetate | 89.04 | 227.52 | 109.88 | 104.12 | 63.86 | 87.52 | 75.58 | 78.54 | |
| Acetone | 53.66 | 61.46 | 52.14 | 53.48 | 38.42 | 44.56 | 47.18 | 42.04 | |
| Adenine | 34.88 | 63.16 | 23.34 | 23.00 | 10.14 | 22.96 | 16.98 | 20.76 | |
| Adenosine | 17.40 | 20.18 | 11.72 | 15.80 | 14.40 | 11.92 | 18.98 | 13.12 | |
| Adipate | 49.20 | 71.10 | 54.14 | 66.48 | 36.66 | 28.28 | 51.32 | 50.06 | |
| ADP | 20.74 | 30.98 | 18.58 | 22.78 | 21.06 | 9.90 | 10.62 | 12.24 | |
| AMP | 6.02 | 10.32 | 7.18 | 5.34 | 4.06 | 5.32 | 4.24 | 6.34 | |
| Anserine | 113.70 | 247.90 | 153.00 | 145.58 | 126.32 | 117.58 | 50.38 | 101.86 | |
| Aspartate | 565.38 | 2331.88 | 611.46 | 648.64 | 348.14 | 578.24 | 394.98 | 438.74 | |
| ATP | 14.84 | 34.70 | 15.16 | 19.76 | 12.54 | 13.46 | 16.08 | 18.08 | |
| Butyrate | 220.24 | 312.20 | 225.90 | 227.00 | 227.52 | 202.88 | 286.32 | 219.92 | |
| Cadaverine | 91.28 | 93.12 | 78.16 | 67.92 | 57.58 | 47.40 | 37.92 | 66.38 | |
| Caffeine | 61.04 | 49.96 | 41.18 | 41.66 | 35.52 | 37.40 | 18.68 | 25.98 | |
| Carnitine | 88.02 | 125.66 | 101.02 | 84.92 | 100.42 | 100.14 | 31.12 | 89.70 | |
| Choline | 68.74 | 106.48 | 65.66 | 76.36 | 31.96 | 79.50 | 20.78 | 41.52 | |
| cis-Aconitate | 1565.28 | 2149.46 | 1481.76 | 1488.04 | 1255.32 | 1497.96 | 1506.18 | 1398.40 | |
| Citrate | 21279.90 | 31131.74 | 53118.56 | 25930.10 | 17533.98 | 16260.92 | 20073.06 | 20489.28 | |
| Creatine | 832.80 | 1361.06 | 1088.86 | 981.56 | 573.50 | 713.88 | 544.98 | 698.18 | |
| Creatinine | 1218.26 | 2402.98 | 1347.28 | 1870.64 | 1288.34 | 859.28 | 966.30 | 970.70 | |
| Cytosine | 41.54 | 38.06 | 53.72 | 33.52 | 32.04 | 32.00 | 32.76 | 31.24 | |
| D-Galactose | 409.26 | 724.70 | 423.38 | 343.84 | 277.28 | 373.46 | 186.62 | 289.42 | |
| D-Glucose | 1150.76 | 1918.56 | 993.58 | 963.02 | 896.96 | 1117.50 | 917.88 | 1189.62 | |
| Dimethylamine | 1263.64 | 2152.46 | 1501.52 | 1133.68 | 450.10 | 1104.58 | 1289.48 | 803.38 | |
| Dimethyl sulfone | 314.66 | 509.62 | 317.06 | 430.46 | 179.42 | 277.34 | 227.04 | 320.24 | |
| Ethanol | 511.28 | 1191.86 | 561.54 | 1426.94 | 928.76 | 2242.38 | 4568.14 | 1112.66 | |
| Ethanolamine | 209.68 | 385.40 | 246.38 | 274.20 | 278.58 | 165.54 | 142.78 | 211.40 | |
| Formate | 213.54 | 469.72 | 241.44 | 222.96 | 217.42 | 201.18 | 339.70 | 221.16 | |
| Fumaric acid | 382.96 | 424.40 | 393.50 | 507.90 | 342.76 | 657.02 | 260.38 | 381.80 | |
| Gluconic acid | 639.34 | 1122.62 | 726.08 | 656.86 | 439.68 | 620.90 | 396.14 | 496.40 | |
| Glucose | 161.70 | 426.24 | 274.74 | 191.34 | 136.80 | 176.74 | 236.68 | 169.60 | |
| Glucuronate | 133.72 | 277.82 | 146.26 | 136.78 | 82.74 | 120.86 | 143.54 | 141.54 | |
| Glutarate | 124.20 | 185.94 | 146.30 | 104.84 | 82.18 | 109.60 | 102.42 | 128.16 | |
| Glycerol | 258.94 | 676.64 | 380.06 | 398.76 | 313.06 | 234.14 | 345.04 | 322.86 | |
| Glycine | 186.28 | 208.40 | 181.12 | 190.92 | 174.48 | 195.32 | 139.04 | 153.52 | |
| Glycolate | 563.56 | 1704.56 | 516.32 | 1136.58 | 1885.78 | 550.44 | 2865.12 | 701.58 | |
| Guanidoacetate | 625.94 | 1091.90 | 665.92 | 764.30 | 561.60 | 752.12 | 477.36 | 626.62 | |
| Guanosine | 19.94 | 37.00 | 42.82 | 22.26 | 40.40 | 20.78 | 39.54 | 27.92 | |
| Hippuric acid | 1280.84 | 2134.88 | 1287.10 | 1437.42 | 695.28 | 1216.44 | 795.50 | 1044.74 | |
| Histamine | 65.24 | 110.74 | 66.08 | 71.04 | 38.44 | 70.62 | 57.04 | 84.20 | |
| Hypoxanthine | 1.28 | 62.56 | 1.72 | 1.80 | 1.40 | 0.88 | 2.88 | 0.84 | |
| Imidazole | 87304.32 | 85528.22 | 82622.74 | 87357.76 | 92910.22 | 89691.02 | 91411.10 | 84253.20 | |
| Indole-3-lactate | 79.50 | 99.26 | 84.50 | 77.64 | 90.52 | 115.68 | 99.90 | 95.34 | |
| Inosine | 17.92 | 28.68 | 14.38 | 15.52 | 13.06 | 12.08 | 24.64 | 12.92 | |
| Isobutyrate | 89.52 | 126.62 | 89.30 | 94.02 | 90.88 | 82.16 | 111.04 | 89.78 | |
| Isocitrate | 445.80 | 1118.54 | 400.96 | 783.80 | 790.78 | 403.02 | 538.42 | 425.48 | |
| Isoleucine | 173.68 | 383.08 | 167.32 | 197.58 | 91.20 | 122.38 | 114.56 | 117.42 | |
| Isovaleric acid | 230.94 | 213.74 | 226.24 | 184.06 | 109.08 | 195.64 | 124.14 | 174.52 | |
| L-Alanine | 30.40 | 49.44 | 33.36 | 41.50 | 22.28 | 27.50 | 19.48 | 24.60 | |
| L-Arginine | 394.96 | 855.18 | 401.02 | 455.52 | 379.02 | 318.93 | 324.98 | 311.98 | |
| L-Asparagine | 59.49 | 108.20 | 54.22 | 67.00 | 43.75 | 54.86 | 42.14 | 48.48 | |
| L-Cysteine | 947.06 | 1161.06 | 796.92 | 1111.22 | 718.24 | 775.58 | 539.32 | 709.06 | |
| L-Cystine | 288.28 | 443.54 | 282.70 | 263.22 | 207.20 | 274.14 | 275.18 | 292.80 | |
| L-Fucose | 213.60 | 359.12 | 170.18 | 212.12 | 148.28 | 184.48 | 180.92 | 171.26 | |
| L-Glutamic acid | 1449.68 | 1977.16 | 1364.32 | 1504.92 | 1066.76 | 1220.84 | 1710.98 | 1036.32 | |
| L-Glutamine | 862.30 | 1154.82 | 487.45 | 1059.28 | 409.32 | 472.48 | 334.96 | 314.92 | |
| L-Histidine | 18002.00 | 15095.94 | 15155.94 | 15803.48 | 13133.72 | 19372.92 | 6270.64 | 20461.58 | |
| L-Lactic acid | 596.28 | 457.02 | 383.48 | 317.18 | 235.12 | 319.70 | 283.22 | 717.62 | |
| L-Leucine | 171.12 | 342.92 | 206.42 | 217.54 | 174.08 | 175.72 | 139.58 | 209.88 | |
| L-Lysine | 681.48 | 934.40 | 676.16 | 604.96 | 403.08 | 599.50 | 245.60 | 667.52 | |
| L-Phenylalanine | 678.94 | 2893.64 | 810.68 | 821.92 | 553.42 | 639.44 | 615.18 | 642.24 | |
| L-Serine | 79.36 | 151.03 | 71.71 | 87.47 | 117.74 | 114.46 | 125.40 | 99.96 | |
| L-Threonine | 246.08 | 304.42 | 284.36 | 249.66 | 155.56 | 199.26 | 151.52 | 203.10 | |
| Malonate | 360.80 | 1182.62 | 447.50 | 664.16 | 773.52 | 36.25 | 1211.83 | 69.46 | |
| Mandelate | 37.26 | 73.54 | 73.82 | 88.76 | 54.36 | 50.70 | 45.62 | 56.42 | |
| Mannitol | 80.04 | 271.90 | 145.58 | 136.44 | 125.00 | 97.12 | 143.70 | 97.60 | |
| Methanol | 1611.38 | 1661.58 | 1802.10 | 1357.20 | 1942.38 | 1260.98 | 1772.00 | 2134.96 | |
| Methionine | 80.92 | 87.38 | 65.72 | 98.28 | 54.50 | 29.50 | 24.57 | 40.00 | |
| Methylamine | 901.96 | 1479.60 | 999.78 | 902.42 | 500.32 | 813.64 | 374.84 | 714.74 | |
| Methylguanidine | 119.32 | 210.02 | 139.42 | 129.94 | 88.80 | 121.56 | 89.30 | 129.82 | |
| Methylmalonate | 37.68 | 57.82 | 43.90 | 44.34 | 30.40 | 33.80 | 41.00 | 37.82 | |
| Methylmalonic acid | 180.24 | 146.42 | 116.08 | 152.06 | 80.44 | 158.32 | 94.15 | 187.40 | |
| Methylsuccinate | 102.78 | 91.56 | 58.52 | 68.16 | 76.00 | 56.64 | 177.02 | 78.80 | |
| Myo-inositol | 266.20 | 900.14 | 339.46 | 363.52 | 283.86 | 311.14 | 254.60 | 203.52 | |
| N,N-Dimethylglycine | 155.30 | 249.18 | 149.08 | 144.00 | 68.94 | 96.58 | 44.22 | 79.14 | |
| O-Acetylcarnitine | 31.56 | 65.78 | 39.46 | 28.80 | 24.92 | 29.34 | 20.70 | 28.02 | |
| p-Cresol sulfate | 47.48 | 68.04 | 53.06 | 41.56 | 43.60 | 46.18 | 40.66 | 40.26 | |
| Phenylacetate | 19.36 | 69.15 | 20.16 | 21.46 | 18.06 | 24.12 | 21.28 | 20.26 | |
| Phosphorylcholine | 52.22 | 31.88 | 39.56 | 56.38 | 27.80 | 37.04 | 13.80 | 35.53 | |
| Propylene glycol | 9.78 | 11.66 | 10.78 | 10.78 | 8.20 | 8.42 | 8.78 | 8.94 | |
| Pyridoxine | 20.00 | 71.10 | 26.50 | 46.00 | 15.00 | 24.78 | 16.04 | 28.06 | |
| Pyroglutamic acid | 513.50 | 894.76 | 517.62 | 536.62 | 365.46 | 470.10 | 542.86 | 460.84 | |
| Pyruvate | 295.42 | 309.40 | 324.86 | 277.58 | 327.46 | 225.00 | 917.24 | 208.12 | |
| Pyruvic acid | 375.64 | 451.68 | 391.68 | 277.84 | 403.58 | 273.72 | 1062.72 | 227.50 | |
| Sarcosine | 381.12 | 728.96 | 407.14 | 335.90 | 279.26 | 347.84 | 299.98 | 272.02 | |
| Sorbitol | 373.78 | 964.68 | 487.94 | 422.94 | 231.56 | 381.74 | 277.56 | 348.80 | |
| Succinate | 3538.02 | 5631.76 | 4257.28 | 3531.64 | 2431.78 | 4092.16 | 1236.52 | 4066.26 | |
| Taurine | 2791.86 | 8065.04 | 3014.20 | 4436.24 | 5590.90 | 1453.94 | 3906.14 | 1111.46 | |
| Thymine | 54.42 | 55.78 | 51.26 | 60.26 | 35.46 | 48.08 | 28.54 | 51.94 | |
| trans-Aconitate | 422.88 | 974.34 | 504.88 | 516.48 | 352.24 | 299.68 | 213.10 | 366.50 | |
| Trigonelline | 290.72 | 609.02 | 339.22 | 324.56 | 233.30 | 267.10 | 134.04 | 267.72 | |
| Trimethylamine | 97.12 | 235.66 | 92.30 | 172.90 | 24.88 | 79.46 | 18.02 | 38.82 | |
| Trimethylamine N-oxide | 1170.74 | 2121.60 | 1546.42 | 1182.86 | 2706.40 | 2064.44 | 1594.20 | 4706.48 | |
| Tryptophan | 493.46 | 626.66 | 433.98 | 415.62 | 265.66 | 507.34 | 257.48 | 377.16 | |
| Tyramine | 320.36 | 471.06 | 340.10 | 356.58 | 550.42 | 297.44 | 523.20 | 289.66 | |
| Tyrosine | 169.24 | 223.14 | 180.96 | 153.58 | 160.12 | 152.94 | 176.84 | 130.20 | |
| Uracil | 222.03 | 293.56 | 217.66 | 211.26 | 58.42 | 143.24 | 226.22 | 160.52 | |
| Urea | 170434.04 | 452278.46 | 225795.56 | 226517.48 | 202751.20 | 122544.16 | 170096.92 | 131728.90 | |
| Urocanate | 26.02 | 52.50 | 29.62 | 32.40 | 54.12 | 33.24 | 64.58 | 29.72 | |
| Valine | 69.24 | 65.08 | 52.48 | 63.20 | 31.64 | 53.76 | 26.44 | 46.50 |
Factors:
| F1 | Dose:0.03 µg/kg TCDD |
| F2 | Dose:0.1 µg/kg TCDD |
| F3 | Dose:0.3 µg/kg TCDD |
| F4 | Dose:0 µg/kg TCDD |
| F5 | Dose:10 µg/kg TCDD |
| F6 | Dose:1 µg/kg TCDD |
| F7 | Dose:30 µg/kg TCDD |
| F8 | Dose:3 µg/kg TCDD |