Data for ST001606
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 1,2-cyclohexanedione | 3210.80 | 2990.00 | 2412.80 | 1778.00 | 482.40 | 546.60 | 3290.00 | 5101.67 | |
| 1-kestose | 165540.60 | 173010.00 | 165760.80 | 166199.80 | 163.00 | 229.40 | 2430.00 | 2282.00 | |
| 1-methyladenosine | 326.00 | 463.60 | 328.60 | 349.20 | 106.60 | 107.00 | 278.60 | 301.33 | |
| 1-monopalmitin | 905.80 | 728.20 | 966.80 | 1499.20 | 479.00 | 531.20 | 385.40 | 267.33 | |
| 1-monostearin | 284.20 | 325.40 | 287.00 | 344.80 | 133.80 | 104.80 | 105.60 | 108.67 | |
| 2,3-dihydroxybutanoic acid NIST | 110.60 | 114.60 | 142.60 | 109.20 | 178.80 | 182.00 | 588.40 | 775.67 | |
| 2,5-dihydroxypyrazine NIST | 475.20 | 485.00 | 372.00 | 307.40 | 208.60 | 194.40 | 269.20 | 318.67 | |
| 2-deoxytetronic acid | 586.60 | 775.60 | 576.20 | 355.00 | 475.80 | 397.20 | 5123.20 | 5028.33 | |
| 2-hydroxybutanoic acid | 2154.80 | 1175.60 | 1166.80 | 6977.00 | 4013.40 | 4574.00 | 455.80 | 577.67 | |
| 2-hydroxyglutaric acid | 167.00 | 202.60 | 204.40 | 115.60 | 481.20 | 446.40 | 230.60 | 308.67 | |
| 2-hydroxyhexanoic acid | 4545.60 | 3128.80 | 3180.00 | 1395.80 | 162.40 | 198.80 | 136.20 | 192.00 | |
| 2-hydroxypyrazinyl-2-propenoic acid ethyl ester NIST | 397.40 | 517.40 | 484.40 | 392.60 | 429.80 | 344.20 | 155.20 | 223.33 | |
| 2-hydroxyvaleric acid | 1620.00 | 1501.60 | 659.60 | 519.80 | 1131.80 | 1557.60 | 4241.80 | 7534.00 | |
| 2-ketoisocaproic acid | 2434.20 | 2733.20 | 13727.20 | 2308.60 | 4294.80 | 4462.80 | 58450.80 | 59884.67 | |
| 2-monoolein | 7735.40 | 6873.40 | 5985.80 | 8064.40 | 661.20 | 1051.20 | 386.20 | 322.33 | |
| 2-monopalmitin | 3991.80 | 3324.40 | 1568.00 | 3370.20 | 1777.60 | 2826.60 | 2966.60 | 4123.00 | |
| 2-picolinic acid | 457.20 | 610.20 | 555.00 | 414.00 | 211.00 | 238.80 | 190.60 | 366.33 | |
| 3,4-dihydroxycinnamic acid | 670.40 | 625.20 | 515.40 | 461.80 | 133.00 | 142.40 | 256.40 | 639.00 | |
| 3,4-dihydroxyhydrocinnamic acid NIST | 3635.40 | 2527.60 | 971.40 | 684.00 | 9423.80 | 8751.80 | 210.40 | 1770.00 | |
| 3-(4-hydroxyphenyl)propionic acid | 896.20 | 126584.00 | 675.40 | 54348.40 | 221.40 | 2869.20 | 444.20 | 86909.00 | |
| 3,6-anhydro-D-galactose | 2650.60 | 3617.20 | 2015.60 | 2103.60 | 211.80 | 308.20 | 362.80 | 172.00 | |
| 3-aminoisobutyric acid | 103.80 | 148.80 | 215.40 | 99.40 | 272.60 | 182.60 | 231.20 | 252.33 | |
| 3-hydroxybutyric acid | 2858.00 | 1162.60 | 3571.00 | 2193.20 | 49630.00 | 20052.00 | 702.60 | 988.00 | |
| 3-hydroxyphenylacetic acid | 232.60 | 249.00 | 202.60 | 179.20 | 121.60 | 114.20 | 161.00 | 203.00 | |
| 3-hydroxypropionic acid | 15406.80 | 24948.80 | 15490.00 | 5095.40 | 3086.60 | 3280.00 | 286.40 | 372.33 | |
| 3-phenyllactic acid | 93580.80 | 368.40 | 42849.00 | 1312.00 | 1549.40 | 181.40 | 40240.00 | 949.67 | |
| 4-aminobutyric acid | 2424.00 | 2039.60 | 2204.20 | 1582.40 | 134.60 | 106.00 | 150.20 | 148.67 | |
| 4-hydroxybenzoate | 1971.80 | 2008.40 | 1125.00 | 1678.20 | 181.80 | 253.80 | 1577.40 | 9968.67 | |
| 4-hydroxybutyric acid | 55562.20 | 90157.60 | 59720.80 | 15144.00 | 566.00 | 753.60 | 197.00 | 195.67 | |
| 4-hydroxycinnamic acid | 1388.80 | 1415.00 | 1280.20 | 1059.40 | 5899.60 | 5972.40 | 355.40 | 1248.00 | |
| 4-hydroxyhippuric acid NIST | 105.40 | 143.60 | 128.80 | 109.00 | 124.20 | 136.40 | 246.60 | 3548.33 | |
| 4-hydroxymandelic acid | 277.80 | 1066.60 | 3010.20 | 221.20 | 774.00 | 577.80 | 2879.40 | 3361.33 | |
| 4-hydroxyphenylacetic acid | 6480.40 | 373.80 | 3909.40 | 347.80 | 204.00 | 188.40 | 3698.40 | 3491.33 | |
| 5-aminovaleric acid | 1955782.80 | 2002045.00 | 1322158.00 | 1694306.00 | 1422.20 | 779.40 | 91722.20 | 28912.67 | |
| 5-hydroxy-3-indoleacetic acid | 202.00 | 199.60 | 206.60 | 166.20 | 202.40 | 204.00 | 2567.80 | 1819.67 | |
| 5-methoxytryptamine | 498.60 | 555.60 | 550.80 | 743.60 | 8439.60 | 7985.00 | 487.00 | 253.33 | |
| 5-methyluridine NIST | 394.20 | 316.00 | 322.00 | 414.40 | 103.00 | 98.20 | 114.60 | 140.33 | |
| 7-methylguanine NIST | 261.80 | 264.60 | 274.40 | 205.20 | 97.60 | 112.80 | 1171.60 | 894.00 | |
| abietic acid | 2702.20 | 4029.00 | 6644.40 | 13974.20 | 108.00 | 161.40 | 107.00 | 116.67 | |
| aconitic acid | 105.80 | 126.80 | 120.80 | 126.00 | 172.40 | 152.00 | 12311.60 | 10459.33 | |
| adenosine | 182.20 | 188.60 | 189.60 | 183.00 | 102.20 | 119.40 | 684.20 | 574.33 | |
| adipic acid | 413.00 | 455.40 | 433.40 | 378.80 | 2683.60 | 3146.80 | 780.00 | 1318.00 | |
| alanine | 137032.00 | 131793.80 | 43393.40 | 59636.40 | 298814.60 | 285707.00 | 10740.00 | 8759.67 | |
| allantoic acid | 8799.40 | 6778.20 | 8525.20 | 8209.00 | 7372.00 | 8382.80 | 69738.80 | 55064.67 | |
| alloxanoic acid NIST | 430.00 | 632.20 | 492.60 | 212.60 | 101.80 | 102.00 | 93.20 | 139.33 | |
| alpha-aminoadipic acid | 1085.60 | 1239.80 | 790.80 | 815.80 | 229.80 | 596.00 | 135.00 | 131.67 | |
| alpha-ketoglutarate | 921.40 | 941.80 | 1453.40 | 1088.00 | 1268.80 | 1570.80 | 4318.60 | 4608.67 | |
| aminomalonate | 898.80 | 1142.80 | 743.60 | 596.80 | 2505.00 | 2072.80 | 180.20 | 194.00 | |
| arachidic acid | 3845.80 | 3909.00 | 2200.00 | 3450.60 | 744.00 | 1297.80 | 643.60 | 745.00 | |
| arachidonic acid | 5316.00 | 3739.40 | 5035.00 | 6429.80 | 4612.80 | 5288.60 | 382.60 | 872.67 | |
| ascorbic acid | 599.00 | 506.80 | 430.20 | 354.60 | 1205.40 | 198.80 | 1260.60 | 988.33 | |
| asparagine | 14061.80 | 14032.00 | 7070.20 | 7598.60 | 1837.40 | 1237.80 | 1305.20 | 1212.00 | |
| aspartic acid | 51162.20 | 53167.40 | 21999.40 | 24055.20 | 1985.00 | 2230.20 | 401.20 | 384.33 | |
| behenic acid | 4212.00 | 4881.40 | 3126.80 | 4433.20 | 351.80 | 429.40 | 512.40 | 1203.67 | |
| beta-alanine | 377.40 | 447.20 | 262.60 | 220.80 | 205.00 | 175.80 | 756.60 | 506.00 | |
| beta-gentiobiose | 314.80 | 360.00 | 368.00 | 323.80 | 90.80 | 114.00 | 121.20 | 150.67 | |
| beta-sitosterol | 45992.60 | 55908.00 | 31158.00 | 49320.40 | 609.40 | 357.20 | 173.40 | 200.67 | |
| butyrolactam NIST | 4229.80 | 4893.20 | 3922.00 | 1963.00 | 1236.00 | 1032.20 | 1521.00 | 2618.00 | |
| capric acid | 339.00 | 451.00 | 531.00 | 388.00 | 562.20 | 569.40 | 338.20 | 301.00 | |
| cellobiose | 5483.80 | 5681.00 | 3960.20 | 4757.00 | 211.40 | 429.60 | 2246.20 | 550.33 | |
| cholesterol | 38910.20 | 42816.40 | 25321.00 | 36524.40 | 178222.60 | 79667.20 | 449.40 | 456.67 | |
| cis-gondoic acid | 232.60 | 208.40 | 201.40 | 169.40 | 126.20 | 99.60 | 104.20 | 125.67 | |
| citric acid | 1709.20 | 895.00 | 582.80 | 550.00 | 58461.00 | 73564.20 | 25309.00 | 28130.00 | |
| conduritol-beta-epoxide | 4824.60 | 5298.80 | 4521.80 | 4087.20 | 328.20 | 461.00 | 740.40 | 556.00 | |
| creatinine | 1511.80 | 1070.80 | 3380.00 | 2477.20 | 5640.80 | 4575.00 | 14485.00 | 7254.67 | |
| cysteine | 1379.80 | 1417.00 | 736.40 | 491.20 | 600.00 | 722.20 | 363.60 | 3096.67 | |
| cystine | 320.60 | 344.60 | 385.80 | 387.60 | 301.00 | 347.60 | 165.40 | 238.67 | |
| cytosin | 258.00 | 234.20 | 176.60 | 186.80 | 122.60 | 108.40 | 314.20 | 246.33 | |
| daidzein | 791.80 | 1044.40 | 1252.80 | 1056.40 | 115.80 | 130.40 | 1724.80 | 1660.67 | |
| dehydroabietic acid | 7613.40 | 12979.00 | 8369.20 | 32486.20 | 361.80 | 336.80 | 148.40 | 219.67 | |
| dehydroascorbic acid | 3393.60 | 3695.80 | 3153.60 | 1286.00 | 2256.20 | 2490.20 | 1746.40 | 1658.67 | |
| deoxypentitol | 1645.00 | 1705.60 | 2107.80 | 1860.40 | 239.80 | 222.40 | 2645.20 | 1868.33 | |
| dihydrocholesterol | 640.00 | 564.20 | 307.60 | 481.80 | 300.60 | 180.80 | 105.20 | 133.33 | |
| docosahexaenoic acid | 877.60 | 818.40 | 957.00 | 1384.60 | 649.60 | 835.00 | 115.60 | 220.00 | |
| enolpyruvate NIST | 198.00 | 194.80 | 274.40 | 115.00 | 133.60 | 152.00 | 191.20 | 170.00 | |
| erythritol | 3654.80 | 3560.20 | 4477.40 | 2980.40 | 921.20 | 1041.00 | 19577.20 | 16328.67 | |
| erythrose | 141.80 | 174.60 | 184.20 | 93.80 | 138.20 | 123.80 | 165.80 | 229.67 | |
| ethanolamine | 42621.40 | 36745.60 | 32055.00 | 30415.20 | 26729.60 | 24578.40 | 47568.20 | 46014.67 | |
| ferulic acid | 592.00 | 620.40 | 632.20 | 575.40 | 115.60 | 114.40 | 283.60 | 703.67 | |
| fucose | 4738.40 | 4739.60 | 5013.80 | 3705.80 | 2116.00 | 2691.80 | 26596.80 | 22814.00 | |
| fumaric acid | 2849.60 | 2732.20 | 1960.80 | 1466.20 | 2139.60 | 2348.40 | 354.00 | 341.67 | |
| galactinol | 872621.20 | 956605.60 | 797986.40 | 806437.60 | 921.40 | 42841.00 | 14747.80 | 12650.00 | |
| galactitol | 2221.80 | 2243.20 | 2077.20 | 2126.20 | 2826.60 | 3350.20 | 10812.60 | 10074.33 | |
| galactonic acid | 9424.40 | 7695.40 | 3879.20 | 3671.00 | 177.40 | 235.80 | 2981.00 | 2497.67 | |
| gluconic acid | 14978.20 | 11479.00 | 7532.00 | 7087.00 | 172.40 | 194.80 | 878.40 | 697.00 | |
| gluconic acid lactone | 1981.60 | 1436.40 | 982.20 | 632.00 | 255.40 | 179.40 | 239.80 | 260.33 | |
| glucose | 19658.80 | 21109.40 | 18782.80 | 19013.00 | 676043.00 | 725985.20 | 20484.80 | 18567.67 | |
| glucose-6-phosphate | 119.80 | 101.00 | 138.80 | 109.40 | 258.80 | 286.80 | 140.40 | 168.67 | |
| glutamic acid | 154090.60 | 148689.40 | 101915.00 | 95393.40 | 4183.80 | 3412.40 | 1401.40 | 642.33 | |
| glutamine | 5847.20 | 7966.00 | 5922.00 | 5421.00 | 29153.80 | 19733.80 | 1446.60 | 1374.67 | |
| glyceric acid | 4423.20 | 3223.40 | 2522.40 | 3778.20 | 2296.40 | 2396.40 | 2749.20 | 1341.67 | |
| glycerol | 162135.60 | 142987.40 | 132596.40 | 122100.80 | 599266.40 | 606355.60 | 263587.20 | 397729.67 | |
| glycerol-3-galactoside | 119939.80 | 127798.20 | 117639.20 | 115086.20 | 507.40 | 806.40 | 18944.60 | 19067.33 | |
| glycerol-alpha-phosphate | 2312.00 | 2589.80 | 1862.60 | 1730.40 | 2881.80 | 2556.00 | 2670.20 | 2410.33 | |
| glycine | 26435.20 | 26152.60 | 20612.00 | 18717.20 | 31875.00 | 33572.60 | 5741.20 | 6079.00 | |
| glycocyamine | 136.00 | 199.00 | 203.80 | 139.80 | 418.60 | 276.60 | 1489.80 | 623.33 | |
| glycolic acid | 2965.20 | 2739.20 | 1882.00 | 1525.00 | 5217.20 | 5411.20 | 8624.80 | 14928.67 | |
| glycyl proline | 831.60 | 735.40 | 874.60 | 2109.00 | 149.40 | 174.60 | 929.80 | 552.67 | |
| guanine | 721.40 | 650.20 | 770.20 | 569.00 | 102.20 | 98.20 | 177.40 | 166.00 | |
| heptadecanoic acid | 2423.20 | 3825.80 | 2390.80 | 2068.40 | 1719.60 | 2475.60 | 945.20 | 1230.33 | |
| hexadecane | 3804.40 | 3627.00 | 3229.20 | 3069.00 | 2764.00 | 2800.60 | 622.40 | 812.67 | |
| hexitol | 1390.60 | 1127.80 | 944.40 | 882.00 | 750.40 | 1561.60 | 1511.20 | 2812.33 | |
| hexuronic acid | 93969.00 | 80471.40 | 70341.40 | 49497.00 | 2053.00 | 2804.80 | 14680.20 | 17359.67 | |
| hippuric acid | 695.60 | 811.60 | 771.20 | 638.60 | 303.80 | 1509.80 | 2870.20 | 165392.67 | |
| histidine | 9958.20 | 10451.40 | 5350.40 | 8705.00 | 13090.20 | 10004.00 | 369.80 | 270.67 | |
| hydrocinnamic acid | 852.00 | 29849.80 | 783.80 | 13874.60 | 5168.20 | 930.80 | 270.40 | 249.33 | |
| hydroxycarbamate NIST | 8050.80 | 8077.00 | 10074.40 | 8606.80 | 13331.00 | 15716.40 | 818.20 | 628.00 | |
| hydroxylamine | 70124.80 | 67139.60 | 85749.00 | 67286.40 | 47707.80 | 42167.00 | 18263.40 | 24937.33 | |
| hypoxanthine | 4473.20 | 4080.40 | 4185.60 | 3387.00 | 95.00 | 130.80 | 206.20 | 230.00 | |
| indole-3-acetate | 630.00 | 697.00 | 414.20 | 445.20 | 462.80 | 405.40 | 1862.60 | 1187.00 | |
| indole-3-lactate | 115370.20 | 631.40 | 80608.80 | 626.00 | 4663.40 | 1544.20 | 155992.40 | 4854.67 | |
| indole-3-propionate | 447.80 | 10606.80 | 426.00 | 6494.60 | 110.40 | 49467.00 | 2060.00 | 946.00 | |
| inosine | 2169.20 | 2175.60 | 1206.80 | 933.20 | 98.60 | 102.60 | 230.20 | 169.33 | |
| isocitric acid | 123.00 | 128.20 | 135.40 | 97.60 | 1084.00 | 1441.00 | 10805.60 | 8064.33 | |
| isohexonic acid | 3280.40 | 1643.60 | 831.00 | 712.00 | 253.80 | 366.60 | 1234.60 | 2067.33 | |
| isoleucine | 56296.20 | 65100.80 | 28703.80 | 27664.20 | 62026.00 | 58942.40 | 13548.20 | 7023.00 | |
| isoribose | 233.60 | 248.60 | 226.60 | 188.40 | 96.60 | 123.20 | 481.20 | 436.33 | |
| isothreonic acid | 323.00 | 292.00 | 335.80 | 221.80 | 370.80 | 507.80 | 6990.00 | 6292.33 | |
| keto-hexonic acid | 296.80 | 224.60 | 245.60 | 190.40 | 96.60 | 270.40 | 727.60 | 469.67 | |
| ketohexose | 271.60 | 276.20 | 303.20 | 176.40 | 159.40 | 150.40 | 1570.80 | 130.00 | |
| kynurenic acid | 154.20 | 152.80 | 389.80 | 97.80 | 135.60 | 132.80 | 794.20 | 685.67 | |
| lactamide | 113.20 | 135.80 | 136.40 | 83.80 | 415.20 | 601.20 | 108.00 | 135.00 | |
| lactic acid | 11655.00 | 8407.00 | 1924.00 | 4141.20 | 514896.60 | 608389.60 | 1634.40 | 12428.33 | |
| lauric acid | 8524.20 | 12657.40 | 13791.20 | 10598.80 | 5557.40 | 4838.60 | 8187.60 | 7313.67 | |
| leucine | 48362.80 | 43561.80 | 17358.20 | 22739.80 | 91289.00 | 89894.60 | 4561.40 | 4325.67 | |
| levoglucosan | 611.80 | 675.80 | 731.60 | 676.20 | 153.00 | 248.80 | 745.00 | 1052.00 | |
| linoleic acid | 12709.80 | 12176.80 | 7044.80 | 15719.20 | 4653.80 | 7723.40 | 140.20 | 160.33 | |
| linolenic acid | 4746.20 | 3153.60 | 3154.60 | 6386.20 | 3358.00 | 1916.20 | 153.40 | 143.33 | |
| lysine | 32100.20 | 37231.00 | 21234.60 | 23476.00 | 118222.20 | 93711.60 | 991.40 | 424.67 | |
| lyxitol | 103177.80 | 114267.00 | 109433.20 | 95772.40 | 1365.60 | 2540.40 | 35824.00 | 36436.67 | |
| maleimide | 3687.40 | 4742.80 | 2907.00 | 2797.80 | 824.00 | 735.60 | 585.40 | 656.00 | |
| malic acid | 322.60 | 242.00 | 221.40 | 168.00 | 2282.80 | 3495.40 | 205.60 | 232.00 | |
| malonic acid | 308.00 | 265.20 | 226.20 | 131.80 | 119.80 | 146.40 | 165.00 | 209.33 | |
| maltitol | 4071.00 | 6558.20 | 7646.80 | 4872.20 | 102.80 | 216.80 | 296.00 | 300.67 | |
| maltose | 1488.80 | 1655.80 | 1080.00 | 1967.00 | 119.80 | 208.00 | 367.40 | 1270.67 | |
| maltotriose | 1589.00 | 952.60 | 1482.20 | 1001.00 | 483.00 | 716.80 | 856.60 | 1144.67 | |
| mannose | 1991.00 | 2283.60 | 2649.60 | 2176.40 | 20465.00 | 16780.00 | 4727.80 | 2584.33 | |
| melezitose | 1236.60 | 1964.60 | 1917.40 | 1407.00 | 117.00 | 120.80 | 162.00 | 153.67 | |
| methanolphosphate | 917.00 | 230.40 | 241.60 | 213.40 | 1693.40 | 360.00 | 279.40 | 160.00 | |
| methionine | 6396.20 | 6141.80 | 2309.00 | 2569.60 | 11650.20 | 11052.20 | 427.00 | 179.00 | |
| methionine sulfoxide | 5204.20 | 6293.00 | 4350.00 | 4041.20 | 3044.40 | 3241.80 | 2309.60 | 3156.33 | |
| mucic acid | 836.00 | 362.60 | 245.60 | 167.80 | 114.80 | 106.40 | 256.80 | 391.00 | |
| myo-inositol | 36967.60 | 38174.00 | 32106.00 | 30508.40 | 11649.20 | 20726.60 | 5109.40 | 4692.67 | |
| myristic acid | 1342.80 | 1023.60 | 699.60 | 994.80 | 812.40 | 1186.20 | 227.20 | 324.00 | |
| N-acetylaspartic acid | 3125.20 | 3620.00 | 3415.80 | 3438.00 | 168.00 | 328.80 | 1204.00 | 1256.33 | |
| n-acetyl-d-hexosamine | 418.40 | 362.20 | 174.00 | 182.40 | 165.20 | 193.40 | 1604.80 | 1005.00 | |
| N-acetylglutamate | 1442.20 | 1782.80 | 1179.60 | 1240.40 | 738.60 | 836.20 | 532.40 | 810.67 | |
| N-acetylmannosamine | 735.40 | 774.00 | 781.40 | 601.00 | 273.20 | 395.40 | 1032.40 | 879.67 | |
| nicotinamide | 636.80 | 616.60 | 272.60 | 200.60 | 467.00 | 418.40 | 2242.20 | 1963.33 | |
| nicotinic acid | 5219.80 | 7625.80 | 3881.40 | 3307.20 | 228.40 | 329.20 | 1320.40 | 1605.33 | |
| N-methylalanine | 2562.00 | 3785.80 | 879.20 | 955.40 | 5607.20 | 3483.20 | 428.00 | 771.00 | |
| octadecanol | 201.40 | 506.20 | 254.80 | 307.40 | 222.00 | 176.80 | 118.00 | 181.00 | |
| oleamide NIST | 1383.20 | 1128.00 | 725.80 | 1489.00 | 729.20 | 390.40 | 123.80 | 115.00 | |
| oleic acid | 9739.00 | 8434.80 | 5873.00 | 9294.20 | 3788.40 | 4874.40 | 123.00 | 137.33 | |
| ornithine | 3030.20 | 3412.40 | 2492.60 | 2372.40 | 26188.60 | 17553.40 | 1382.20 | 1503.67 | |
| orotic acid | 235.00 | 289.80 | 279.80 | 249.80 | 141.80 | 155.00 | 872.00 | 1181.00 | |
| oxalic acid | 452.80 | 540.40 | 700.20 | 314.00 | 452.60 | 458.00 | 148.20 | 349.00 | |
| oxoproline | 168904.40 | 198990.40 | 115733.20 | 80920.80 | 135283.00 | 117910.20 | 34322.00 | 35639.00 | |
| palmitic acid | 21874.60 | 20535.20 | 13593.60 | 19981.20 | 20333.20 | 26608.20 | 1116.80 | 1280.00 | |
| palmitoleic acid | 488.20 | 373.60 | 229.80 | 410.00 | 517.40 | 681.00 | 92.00 | 121.00 | |
| pantothenic acid | 1371.40 | 1199.80 | 811.20 | 735.80 | 239.20 | 339.60 | 1320.60 | 2134.67 | |
| parabanic acid NIST | 7907.60 | 10850.60 | 14731.20 | 6684.60 | 721.40 | 532.00 | 3927.40 | 4785.33 | |
| pelargonic acid | 8663.60 | 11073.00 | 11840.20 | 7434.00 | 13715.20 | 12592.40 | 6745.00 | 8374.00 | |
| pentitol | 1122.60 | 1119.80 | 1189.20 | 984.40 | 92.80 | 120.00 | 334.60 | 279.67 | |
| phenaceturic acid | 49830.00 | 1146.40 | 40220.00 | 540.40 | 28253.80 | 29207.20 | 88343.80 | 26283.00 | |
| phenylacetic acid | 358.60 | 154.40 | 361.40 | 156.80 | 155.00 | 171.40 | 1594.80 | 649.33 | |
| phenylalanine | 28589.80 | 27529.60 | 7441.80 | 10428.00 | 19225.20 | 18082.00 | 441.80 | 437.00 | |
| phenylpyruvate | 72213.00 | 277.00 | 32596.80 | 1081.40 | 1909.20 | 1808.60 | 20498.20 | 11817.33 | |
| phosphoethanolamine | 162.00 | 164.80 | 215.20 | 116.80 | 592.60 | 462.20 | 480.60 | 554.67 | |
| p-hydroxylphenyllactic acid | 79751.60 | 245.00 | 62737.80 | 328.20 | 6021.60 | 12130.40 | 73504.20 | 1278.67 | |
| pimelic acid | 156.20 | 120.40 | 168.00 | 125.60 | 1405.20 | 1526.40 | 1043.60 | 1286.00 | |
| pinitol | 400301.60 | 431031.40 | 393398.20 | 362051.80 | 1010.40 | 1148.40 | 36040.40 | 28660.00 | |
| pipecolinic acid | 716.20 | 905.00 | 489.00 | 653.20 | 646.20 | 554.20 | 3600.00 | 1560.33 | |
| piperidone | 6599.20 | 7345.20 | 3352.20 | 1387.20 | 112.80 | 141.20 | 392.20 | 341.67 | |
| proline | 17603.80 | 20011.00 | 9129.40 | 13058.00 | 40348.60 | 35616.60 | 1261.80 | 483.33 | |
| propane-1,3-diol NIST | 2548.40 | 3900.20 | 3106.20 | 1812.80 | 1827.40 | 2300.00 | 1619.20 | 1786.00 | |
| pseudo uridine | 2031.00 | 2300.20 | 1628.00 | 1755.20 | 3197.20 | 2792.00 | 34978.00 | 37945.67 | |
| putrescine | 1716.60 | 1590.60 | 2234.80 | 1850.80 | 310.20 | 173.80 | 4061.20 | 1743.33 | |
| pyrophosphate | 17073.20 | 19017.80 | 23292.40 | 15928.40 | 15663.60 | 14257.20 | 14196.40 | 15337.00 | |
| pyruvic acid | 926.00 | 1272.40 | 778.00 | 710.20 | 13286.60 | 13845.60 | 1783.40 | 2190.67 | |
| quinic acid | 3379.80 | 3491.20 | 2703.00 | 2652.20 | 185.20 | 303.80 | 1998.60 | 3504.00 | |
| raffinose | 731727.40 | 780938.40 | 733321.80 | 676023.40 | 258.60 | 335.60 | 8956.80 | 7987.67 | |
| ribitol | 2675.60 | 2786.40 | 2878.60 | 2613.80 | 270.20 | 371.40 | 6129.60 | 5639.00 | |
| ribonic acid | 7469.00 | 9021.60 | 4953.60 | 5277.60 | 365.20 | 421.80 | 3576.20 | 3368.33 | |
| ribose | 7963.20 | 7060.40 | 5447.60 | 4271.20 | 971.80 | 1023.40 | 2891.40 | 2705.67 | |
| saccharic acid | 3053.00 | 2054.20 | 1162.60 | 1052.80 | 233.60 | 266.40 | 1414.80 | 1659.00 | |
| salicylaldehyde | 277.60 | 487.60 | 536.00 | 233.40 | 271.00 | 377.20 | 199.80 | 241.67 | |
| salicylic acid | 128.80 | 207.40 | 162.80 | 153.40 | 212.00 | 332.00 | 135.40 | 243.00 | |
| serine | 44208.00 | 42390.60 | 19525.00 | 22108.20 | 60718.00 | 42340.80 | 25582.40 | 44778.67 | |
| shikimic acid | 10738.80 | 13458.80 | 10201.40 | 10926.40 | 11172.40 | 11006.00 | 4001.80 | 4691.00 | |
| sinapinic acid | 298.80 | 277.40 | 328.00 | 296.40 | 99.20 | 114.80 | 164.60 | 224.67 | |
| sorbitol | 16287.40 | 14273.60 | 12649.80 | 11027.40 | 3306.60 | 3414.80 | 12840.60 | 12536.67 | |
| stearic acid | 97329.20 | 91785.60 | 72302.00 | 85570.80 | 75441.20 | 104656.40 | 7561.60 | 9907.33 | |
| stigmasterol | 455.20 | 552.00 | 363.20 | 509.40 | 130.20 | 101.20 | 124.40 | 194.33 | |
| succinate semialdehyde | 4051.60 | 5848.40 | 5834.40 | 1222.60 | 252.40 | 264.60 | 572.00 | 193.67 | |
| succinic acid | 9537.80 | 10350.80 | 8647.60 | 2985.20 | 8159.60 | 10856.80 | 680.80 | 577.33 | |
| sucrose | 639.20 | 1011.00 | 657.40 | 1114.60 | 94.00 | 185.40 | 366.00 | 705.67 | |
| sulfuric acid | 2776.40 | 2982.00 | 924.60 | 339.60 | 79.00 | 756.60 | 252.80 | 2217.67 | |
| taurine | 293.00 | 620.00 | 553.60 | 526.80 | 8385.80 | 6952.80 | 5446.40 | 438.67 | |
| threitol | 1142.40 | 968.40 | 1406.60 | 818.00 | 256.40 | 208.00 | 3700.60 | 3057.67 | |
| threonic acid | 1591.40 | 1327.20 | 950.20 | 732.80 | 2139.60 | 1648.80 | 4667.00 | 4090.00 | |
| threonine | 7670.20 | 7298.00 | 2786.80 | 3081.80 | 21483.40 | 17504.00 | 971.80 | 641.67 | |
| thymine | 832.80 | 1150.40 | 713.60 | 670.00 | 264.00 | 274.80 | 2886.80 | 8061.67 | |
| tocopherol acetate | 542.60 | 577.60 | 556.60 | 603.20 | 2378.20 | 1029.60 | 96.60 | 114.67 | |
| tocopherol alpha- | 1376.80 | 1359.80 | 1305.40 | 1326.00 | 1873.60 | 972.20 | 99.20 | 136.67 | |
| tocopherol beta NIST | 203.00 | 286.20 | 344.80 | 230.20 | 135.00 | 177.60 | 188.40 | 474.00 | |
| tocopherol delta- NIST | 599.40 | 675.20 | 1210.60 | 781.80 | 241.80 | 336.60 | 349.20 | 382.67 | |
| tocopherol gamma- | 1777.00 | 1580.60 | 1786.40 | 1663.40 | 130.80 | 149.20 | 171.60 | 506.00 | |
| trans-4-hydroxyproline | 7786.60 | 9339.00 | 5389.00 | 3768.20 | 4967.40 | 4119.00 | 1572.40 | 1525.67 | |
| tryptophan | 15574.80 | 13699.80 | 5834.60 | 8859.80 | 111228.40 | 83406.20 | 808.60 | 653.00 | |
| tyrosine | 23046.80 | 20015.00 | 7501.80 | 9932.00 | 58480.00 | 53823.60 | 1327.40 | 1094.33 | |
| UDP-glucuronic acid | 3350.20 | 4237.60 | 4488.20 | 4248.60 | 153.20 | 267.80 | 3026.80 | 2871.00 | |
| uracil | 1100.60 | 1018.40 | 557.80 | 439.80 | 1013.00 | 902.60 | 3358.80 | 1917.00 | |
| urea | 191302.40 | 275371.80 | 231665.20 | 212729.20 | 440533.80 | 546919.80 | 281042.80 | 332798.00 | |
| uric acid | 642.00 | 502.80 | 284.80 | 338.40 | 2587.40 | 5323.00 | 13032.60 | 7076.33 | |
| uridine | 6310.60 | 8159.00 | 6435.40 | 7164.60 | 603.80 | 523.40 | 409.20 | 609.33 | |
| urocanic acid | 388.40 | 279.20 | 290.00 | 236.60 | 125.80 | 120.20 | 1287.20 | 1614.67 | |
| valine | 64926.60 | 59315.00 | 22884.00 | 27095.80 | 109285.40 | 119547.60 | 2522.80 | 2695.33 | |
| xanthine | 3244.40 | 3081.20 | 2485.20 | 2438.20 | 110.40 | 97.20 | 316.60 | 371.67 | |
| xanthurenic acid | 140.20 | 155.60 | 217.60 | 128.20 | 121.60 | 114.40 | 796.80 | 1131.67 | |
| xylitol | 12307.80 | 13823.60 | 12589.60 | 11671.80 | 604.40 | 858.80 | 16356.40 | 15768.00 | |
| xylonic acid | 950.00 | 917.40 | 786.40 | 620.20 | 120.00 | 149.00 | 380.40 | 454.00 | |
| xylose | 5344.40 | 6443.60 | 4845.00 | 4606.80 | 138.80 | 164.20 | 1146.80 | 1487.33 | |
| xylulose NIST | 1489.40 | 1383.20 | 1424.40 | 929.80 | 432.20 | 543.00 | 1340.40 | 1508.67 | |
| zymosterol | 1317.40 | 1107.60 | 989.20 | 1210.60 | 201.60 | 172.40 | 168.60 | 192.67 |
Factors:
| F1 | host_compartment:Cecal Contents | bacterial_genotype:fldC |
| F2 | host_compartment:Cecal Contents | bacterial_genotype:WT |
| F3 | host_compartment:Feces | bacterial_genotype:fldC |
| F4 | host_compartment:Feces | bacterial_genotype:WT |
| F5 | host_compartment:Serum | bacterial_genotype:fldC |
| F6 | host_compartment:Serum | bacterial_genotype:WT |
| F7 | host_compartment:Urine | bacterial_genotype:fldC |
| F8 | host_compartment:Urine | bacterial_genotype:WT |
