Data for ST000368
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,5-anhydroglucitol | 16854.00 | 12522.67 | 12254.13 | 9572.62 | 12252.00 | 13996.43 | 10496.69 | 16288.93 | 10417.78 | 7956.67 | 8656.87 | 8595.08 | 8153.44 | 8846.00 | 7326.38 | 8556.71 | 9733.58 | |
1-monoolein | 1007.67 | 378.83 | 789.27 | 990.08 | 539.56 | 502.71 | 737.92 | 664.57 | 527.00 | 413.33 | 535.53 | 600.85 | 292.00 | 291.43 | 224.77 | 483.43 | 546.32 | |
1-monopalmitin | 114.89 | 106.00 | 133.00 | 133.92 | 146.11 | 134.00 | 162.15 | 123.71 | 81.56 | 80.17 | 79.27 | 81.31 | 91.89 | 82.57 | 90.38 | 74.14 | 107.42 | |
1-monostearin | 130.33 | 106.83 | 116.13 | 122.92 | 139.89 | 156.29 | 150.69 | 124.93 | 84.67 | 88.67 | 105.53 | 82.31 | 86.44 | 83.14 | 132.92 | 97.64 | 110.84 | |
2,3,5-trihydroxypyrazine NIST | 57.00 | 59.50 | 50.60 | 45.62 | 58.33 | 66.86 | 49.62 | 47.79 | 48.89 | 44.00 | 42.13 | 38.08 | 42.33 | 51.86 | 37.23 | 47.36 | 51.11 | |
2,3-dihydroxybutanoic acid NIST | 151.78 | 105.50 | 107.80 | 99.00 | 122.78 | 99.43 | 129.23 | 107.71 | 82.00 | 88.67 | 80.67 | 82.77 | 160.22 | 81.00 | 67.31 | 89.36 | 97.58 | |
2-deoxyerythritol | 462.67 | 453.67 | 546.13 | 371.62 | 423.89 | 996.71 | 518.15 | 460.57 | 463.11 | 377.17 | 404.53 | 352.38 | 645.00 | 336.29 | 430.46 | 370.07 | 416.89 | |
2-deoxytetronic acid NIST | 1212.33 | 1135.00 | 1028.33 | 1486.23 | 1036.89 | 1247.29 | 1081.92 | 1110.71 | 796.44 | 781.17 | 770.33 | 842.31 | 1041.89 | 827.86 | 764.92 | 724.50 | 1017.84 | |
2-hydroxybutanoic acid | 12324.67 | 13311.00 | 10863.20 | 17367.92 | 11119.67 | 15627.00 | 14079.31 | 13632.21 | 10779.78 | 8972.33 | 8366.20 | 8658.54 | 7995.33 | 9334.57 | 9680.46 | 7811.86 | 12496.63 | |
2-hydroxyglutaric acid | 1103.44 | 1158.83 | 851.67 | 845.92 | 1115.44 | 1155.29 | 1277.31 | 1244.14 | 555.00 | 300.50 | 431.20 | 431.08 | 558.44 | 428.57 | 406.54 | 555.64 | 771.89 | |
2-hydroxyhippuric acid | 114.11 | 179.33 | 98.07 | 87.62 | 184.11 | 66.86 | 111.62 | 96.36 | 61.44 | 78.50 | 59.93 | 76.38 | 101.33 | 57.29 | 65.08 | 57.64 | 65.79 | |
2-hydroxyvaleric acid | 997.78 | 952.50 | 5655.93 | 1028.54 | 1015.22 | 879.00 | 10141.31 | 1068.29 | 717.56 | 807.00 | 664.40 | 656.77 | 1107.11 | 972.71 | 771.31 | 747.93 | 997.95 | |
2-ketoisocaproic acid | 2339.44 | 2664.00 | 1686.07 | 2352.62 | 1748.33 | 2358.71 | 1629.46 | 1799.21 | 1910.78 | 1847.00 | 2082.80 | 1907.54 | 1613.78 | 2101.29 | 1955.77 | 2248.43 | 2192.89 | |
3-aminoisobutyric acid | 568.56 | 927.17 | 838.07 | 712.85 | 649.00 | 624.43 | 849.85 | 621.71 | 513.22 | 462.50 | 356.20 | 365.23 | 4816.56 | 520.29 | 410.85 | 1957.21 | 509.11 | |
3-hydroxybutanoic acid | 5021.44 | 6423.33 | 4348.27 | 16455.77 | 3721.56 | 5512.57 | 11313.77 | 8026.07 | 4313.00 | 7538.50 | 4068.87 | 4956.23 | 5417.89 | 6240.43 | 6286.38 | 4865.86 | 6674.63 | |
3-phosphoglycerate | 178.22 | 194.33 | 119.47 | 192.69 | 153.67 | 165.71 | 120.38 | 141.07 | 83.89 | 116.50 | 142.67 | 85.92 | 124.11 | 102.29 | 81.46 | 160.00 | 148.11 | |
4-hydroxyproline | 3028.78 | 3347.17 | 2982.87 | 2723.92 | 3909.78 | 3179.86 | 3679.31 | 3110.50 | 2252.33 | 1573.67 | 2073.47 | 1948.54 | 2833.11 | 1810.57 | 2096.62 | 2284.36 | 2870.84 | |
5-hydroxynorvaline NIST | 205.78 | 242.50 | 297.73 | 219.69 | 343.56 | 241.14 | 305.54 | 221.64 | 140.67 | 113.83 | 141.67 | 159.92 | 233.89 | 176.71 | 140.00 | 143.93 | 173.16 | |
5-methoxytryptamine | 338.56 | 309.50 | 238.80 | 259.92 | 253.56 | 223.43 | 251.08 | 229.29 | 169.56 | 123.50 | 149.80 | 236.77 | 145.33 | 174.14 | 185.23 | 207.29 | 225.63 | |
acetophenone NIST | 886.22 | 1050.83 | 934.93 | 885.00 | 939.33 | 1154.14 | 1065.23 | 915.93 | 732.78 | 734.00 | 747.07 | 740.08 | 759.11 | 722.14 | 704.23 | 759.21 | 972.26 | |
aconitic acid | 145.89 | 112.17 | 133.80 | 154.62 | 143.44 | 168.43 | 193.08 | 147.29 | 105.22 | 108.50 | 119.60 | 107.92 | 145.00 | 123.29 | 129.00 | 121.36 | 139.00 | |
adenosine-5-phosphate | 91.00 | 222.17 | 97.87 | 95.38 | 183.44 | 138.14 | 132.31 | 76.43 | 194.44 | 159.50 | 201.07 | 284.92 | 209.11 | 97.86 | 96.62 | 270.86 | 161.26 | |
adipic acid | 600.11 | 612.50 | 563.07 | 581.85 | 660.11 | 621.71 | 766.92 | 963.71 | 360.00 | 255.17 | 270.73 | 303.69 | 391.00 | 488.86 | 325.77 | 302.64 | 465.16 | |
alanine | 147565.67 | 142854.33 | 157043.93 | 117371.62 | 159711.44 | 133770.14 | 166599.46 | 132785.57 | 94145.78 | 62159.83 | 86948.87 | 83112.46 | 78469.67 | 64367.29 | 74758.92 | 77489.43 | 119582.00 | |
alpha ketoglutaric acid | 129.00 | 110.00 | 106.07 | 164.85 | 119.44 | 94.43 | 76.77 | 87.36 | 163.56 | 205.17 | 153.13 | 140.85 | 118.33 | 138.00 | 172.08 | 132.07 | 127.26 | |
aminomalonic acid | 1125.00 | 1269.67 | 1592.07 | 1227.38 | 1607.89 | 1346.00 | 1663.38 | 1521.36 | 1201.33 | 776.50 | 999.73 | 1107.62 | 1002.33 | 1029.57 | 1080.15 | 974.14 | 1327.32 | |
arabinose | 260.56 | 291.67 | 490.87 | 317.38 | 293.44 | 269.00 | 313.46 | 276.71 | 210.67 | 141.00 | 213.00 | 190.85 | 233.22 | 207.71 | 205.77 | 231.21 | 267.89 | |
arabitol | 143.33 | 98.00 | 137.80 | 135.15 | 111.89 | 126.57 | 124.31 | 137.86 | 105.00 | 69.67 | 86.33 | 74.08 | 190.44 | 114.57 | 80.23 | 120.64 | 106.42 | |
arachidic acid | 1442.67 | 1259.83 | 1171.80 | 1326.92 | 1138.89 | 1062.86 | 1022.85 | 1015.00 | 1578.33 | 2129.33 | 1693.47 | 2014.38 | 1632.00 | 1819.14 | 2038.77 | 1529.79 | 1502.79 | |
arachidonic acid | 5897.33 | 4967.83 | 5557.93 | 5678.62 | 7024.67 | 8150.57 | 8680.77 | 6563.36 | 3261.00 | 2039.67 | 2937.27 | 2451.69 | 3272.33 | 2913.43 | 3067.77 | 3489.43 | 5295.11 | |
asparagine | 3994.22 | 3801.00 | 4315.07 | 3690.54 | 4172.11 | 4354.29 | 4957.31 | 4165.86 | 2642.67 | 1365.50 | 2021.93 | 2253.08 | 2684.67 | 2317.43 | 2012.54 | 2131.57 | 3126.95 | |
aspartic acid | 1773.22 | 1496.67 | 3113.87 | 2580.62 | 1372.22 | 2227.57 | 3121.69 | 3945.43 | 1242.89 | 428.00 | 659.80 | 1966.08 | 652.00 | 527.14 | 798.77 | 747.21 | 1590.32 | |
azelaic acid | 333.44 | 235.33 | 376.13 | 391.62 | 398.44 | 370.57 | 578.92 | 984.86 | 167.44 | 49.83 | 87.07 | 170.23 | 150.22 | 86.43 | 109.15 | 65.14 | 246.95 | |
behenic acid | 173.00 | 160.50 | 171.00 | 162.15 | 213.67 | 134.71 | 197.46 | 138.43 | 139.22 | 124.67 | 87.47 | 113.54 | 160.89 | 154.00 | 130.23 | 121.93 | 127.37 | |
benzoic acid | 2292.00 | 1999.33 | 2723.60 | 2414.54 | 2276.67 | 2307.57 | 2202.23 | 2038.79 | 1598.78 | 1526.67 | 1457.27 | 1387.85 | 1720.22 | 1523.43 | 1544.08 | 1444.86 | 1970.16 | |
benzylalcohol | 48229.67 | 47679.83 | 42678.00 | 45530.00 | 47286.67 | 44149.43 | 46749.23 | 43890.07 | 32917.22 | 28665.33 | 31805.20 | 30965.31 | 32242.56 | 33323.71 | 30621.92 | 31867.86 | 40570.21 | |
beta alanine | 255.89 | 258.17 | 167.27 | 233.23 | 171.11 | 277.57 | 220.92 | 218.57 | 126.56 | 82.50 | 103.20 | 135.62 | 155.89 | 153.86 | 135.15 | 141.71 | 169.37 | |
beta-glycerolphosphate | 143.56 | 132.17 | 130.00 | 132.31 | 155.22 | 169.14 | 170.69 | 145.64 | 126.33 | 72.00 | 93.20 | 89.46 | 135.44 | 118.71 | 84.54 | 107.50 | 125.47 | |
beta-mannosylglycerate | 3893.33 | 2722.67 | 2789.20 | 2118.46 | 2876.78 | 3252.43 | 2174.15 | 3639.36 | 2666.56 | 2433.00 | 2282.40 | 2227.85 | 1816.22 | 2400.57 | 1917.62 | 2286.71 | 2366.84 | |
capric acid | 1190.00 | 1544.50 | 1331.00 | 1342.77 | 1457.33 | 1315.29 | 1546.54 | 1264.36 | 850.11 | 835.67 | 772.13 | 933.46 | 892.11 | 903.29 | 873.62 | 820.07 | 1212.47 | |
caprylic acid | 1169.78 | 1262.67 | 1201.33 | 1121.85 | 1251.44 | 1622.71 | 1418.92 | 1464.14 | 913.22 | 795.17 | 848.67 | 889.38 | 1083.44 | 839.71 | 882.69 | 910.14 | 1152.95 | |
cholesterol | 77695.33 | 85557.83 | 72405.20 | 79741.92 | 87582.78 | 79913.57 | 82116.62 | 77300.86 | 60676.78 | 57318.83 | 54988.40 | 53520.62 | 60511.78 | 56239.57 | 54918.23 | 56485.50 | 68127.11 | |
citric acid | 12494.89 | 9136.00 | 9985.53 | 13382.62 | 10344.22 | 11928.57 | 10980.15 | 10129.64 | 10096.67 | 9675.50 | 10915.80 | 9796.69 | 10979.00 | 11181.29 | 12846.77 | 9948.00 | 10872.47 | |
citrulline | 852.78 | 700.00 | 740.53 | 650.69 | 849.22 | 572.00 | 814.23 | 657.29 | 478.11 | 313.50 | 411.87 | 402.15 | 762.33 | 550.86 | 436.15 | 539.86 | 689.95 | |
conduritol beta epoxide | 316.89 | 611.00 | 1731.20 | 639.69 | 463.56 | 836.57 | 683.15 | 564.07 | 425.89 | 391.17 | 410.53 | 432.77 | 690.11 | 262.29 | 572.77 | 431.29 | 445.53 | |
creatinine | 7383.89 | 4947.00 | 5030.87 | 6815.54 | 5970.00 | 6922.86 | 7830.62 | 5749.86 | 3664.44 | 2673.00 | 2840.93 | 2787.23 | 9013.33 | 3827.71 | 2859.69 | 4553.71 | 4879.53 | |
cysteine | 1184.22 | 1582.83 | 1319.27 | 1244.54 | 1503.00 | 1263.86 | 1406.00 | 1247.57 | 778.56 | 700.33 | 872.47 | 705.38 | 834.22 | 798.00 | 775.00 | 836.29 | 1141.47 | |
cysteine-glycine | 281.44 | 268.83 | 231.87 | 235.38 | 284.33 | 279.43 | 285.46 | 239.93 | 183.00 | 190.50 | 175.80 | 191.00 | 197.33 | 185.71 | 171.69 | 164.14 | 264.47 | |
cystine | 10686.44 | 8027.67 | 7818.60 | 8600.54 | 8595.22 | 8328.57 | 10540.23 | 8191.21 | 5133.89 | 4035.83 | 5126.33 | 4996.23 | 6469.33 | 5455.71 | 5105.85 | 5139.00 | 7195.89 | |
dihydro-3-coumaric acid | 629.78 | 652.00 | 506.33 | 526.54 | 620.89 | 506.57 | 546.00 | 381.21 | 301.44 | 225.33 | 274.87 | 260.23 | 326.89 | 265.86 | 265.54 | 323.36 | 446.63 | |
erythritol | 658.22 | 554.00 | 946.93 | 651.69 | 575.00 | 753.86 | 1267.62 | 841.00 | 683.56 | 412.00 | 601.80 | 401.54 | 743.89 | 419.00 | 419.46 | 441.21 | 769.26 | |
erythrose | 161.22 | 119.67 | 158.53 | 176.54 | 187.00 | 142.29 | 175.69 | 162.86 | 107.89 | 64.17 | 73.80 | 74.62 | 104.22 | 105.71 | 78.00 | 81.64 | 117.21 | |
ethanolamine | 1478.22 | 1274.17 | 1366.73 | 1802.69 | 1251.33 | 680.86 | 1311.31 | 1558.07 | 1108.67 | 1014.50 | 869.93 | 1517.00 | 1240.78 | 1024.43 | 1063.77 | 1038.29 | 1033.05 | |
fructose | 41608.44 | 45782.50 | 33559.20 | 39403.46 | 70049.78 | 48798.29 | 61045.77 | 40173.79 | 25869.67 | 13806.33 | 22370.20 | 18075.23 | 36473.56 | 23988.14 | 20973.00 | 32670.93 | 33311.16 | |
fucose | 560.78 | 534.33 | 567.60 | 552.23 | 568.89 | 501.14 | 640.54 | 506.36 | 369.22 | 298.00 | 393.20 | 367.15 | 431.56 | 414.57 | 346.92 | 382.93 | 446.89 | |
fumaric acid | 307.67 | 231.33 | 269.00 | 298.08 | 238.00 | 295.71 | 339.08 | 300.71 | 168.33 | 206.33 | 195.93 | 201.31 | 189.00 | 144.86 | 186.77 | 192.43 | 245.16 | |
gamma-tocopherol | 509.78 | 575.67 | 322.80 | 508.54 | 408.56 | 822.29 | 379.31 | 540.79 | 470.44 | 347.17 | 362.87 | 411.69 | 355.44 | 502.57 | 329.54 | 387.36 | 386.47 | |
gluconic acid | 209.11 | 198.00 | 207.53 | 210.62 | 203.11 | 211.86 | 212.31 | 206.57 | 146.00 | 140.67 | 154.40 | 142.77 | 426.78 | 127.71 | 149.15 | 193.64 | 163.47 | |
glucose | 101854.78 | 91898.00 | 72929.47 | 83780.46 | 103951.22 | 78751.00 | 94869.77 | 70436.71 | 64752.44 | 44492.17 | 69830.73 | 60293.15 | 67148.33 | 55832.86 | 61519.92 | 64513.50 | 72869.32 | |
glucuronic acid | 1265.11 | 898.00 | 581.27 | 461.38 | 664.78 | 437.57 | 957.62 | 459.21 | 610.33 | 295.83 | 354.87 | 340.54 | 1200.67 | 463.57 | 297.15 | 431.79 | 676.42 | |
glutamic acid | 6838.11 | 6712.33 | 7786.33 | 8171.23 | 4423.67 | 8030.43 | 8476.69 | 9677.43 | 6416.78 | 3867.17 | 4299.87 | 5972.31 | 3556.22 | 3177.86 | 3588.62 | 3508.57 | 5554.53 | |
glutamine | 60609.33 | 42108.17 | 47907.80 | 48487.69 | 63009.67 | 48696.00 | 59412.15 | 44737.07 | 37047.78 | 20897.83 | 32306.60 | 32547.08 | 43296.00 | 43287.57 | 36221.15 | 35813.79 | 41916.26 | |
glutaric acid | 174.33 | 102.50 | 154.53 | 155.08 | 181.11 | 148.00 | 237.54 | 213.57 | 103.56 | 60.33 | 82.93 | 63.08 | 116.22 | 91.71 | 84.15 | 92.57 | 118.37 | |
glyceric acid | 2268.11 | 2272.83 | 3023.27 | 2505.54 | 2776.78 | 2171.71 | 3287.46 | 2362.86 | 2045.89 | 1396.33 | 1530.20 | 1573.00 | 1634.44 | 1251.43 | 1656.31 | 1714.93 | 2219.37 | |
glycerol | 12208.00 | 12425.33 | 17217.87 | 16851.31 | 15584.44 | 18182.71 | 17057.92 | 13166.93 | 10083.00 | 12113.83 | 9984.53 | 9491.77 | 13346.11 | 10781.14 | 14119.31 | 10332.79 | 12640.95 | |
glycerol-3-galactoside | 471.78 | 316.33 | 376.60 | 339.31 | 728.44 | 436.71 | 391.54 | 349.29 | 455.89 | 478.67 | 428.00 | 435.69 | 784.56 | 324.14 | 473.54 | 515.86 | 418.32 | |
glycerol-alpha-phosphate | 5401.33 | 4446.83 | 6434.67 | 5202.62 | 7058.89 | 7736.57 | 9546.23 | 6021.64 | 3096.56 | 1259.50 | 2410.00 | 1786.92 | 2794.78 | 2395.57 | 2340.08 | 2668.00 | 4514.79 | |
glycine | 84672.11 | 91613.67 | 107943.27 | 83113.92 | 98068.56 | 95153.00 | 120657.54 | 101355.43 | 73878.33 | 42090.67 | 59699.73 | 62578.23 | 57974.00 | 56612.29 | 58288.31 | 54699.07 | 83002.63 | |
glycolic acid | 988.89 | 913.50 | 849.47 | 778.69 | 933.22 | 862.00 | 1029.46 | 839.43 | 736.44 | 678.83 | 715.93 | 604.00 | 717.00 | 637.29 | 643.92 | 758.07 | 753.84 | |
heptadecanoic acid NIST | 577.78 | 372.83 | 425.33 | 413.69 | 477.78 | 418.43 | 537.31 | 450.93 | 301.00 | 357.67 | 428.93 | 313.46 | 383.00 | 346.14 | 451.08 | 342.21 | 419.58 | |
hippuric acid | 3389.00 | 3696.33 | 3896.33 | 3928.92 | 4600.11 | 3865.14 | 3369.85 | 4156.14 | 3504.44 | 3120.83 | 2773.40 | 3338.15 | 1862.00 | 2034.43 | 2847.62 | 2376.71 | 3868.05 | |
histidine | 7418.22 | 4169.33 | 5853.73 | 5614.15 | 5025.33 | 4849.43 | 5527.00 | 5692.50 | 4227.33 | 2744.00 | 4044.67 | 4237.46 | 3920.67 | 4411.29 | 4148.15 | 3434.00 | 4817.74 | |
hydroxylamine | 1251.33 | 904.33 | 856.20 | 1123.00 | 1047.33 | 910.14 | 1161.38 | 1060.43 | 678.00 | 434.67 | 582.07 | 681.38 | 549.33 | 754.86 | 556.31 | 636.21 | 901.26 | |
indole-3-acetate | 1183.44 | 550.33 | 735.80 | 1213.38 | 1028.89 | 815.86 | 886.92 | 1029.50 | 736.89 | 495.50 | 881.60 | 611.38 | 1104.11 | 755.57 | 505.77 | 1186.86 | 699.58 | |
indole-3-lactate | 525.22 | 443.00 | 505.00 | 524.08 | 732.67 | 552.00 | 636.31 | 462.36 | 393.67 | 321.17 | 331.00 | 307.54 | 643.22 | 387.43 | 301.77 | 451.57 | 407.05 | |
inosine | 172.78 | 350.67 | 146.80 | 132.54 | 261.44 | 165.29 | 251.92 | 146.93 | 94.78 | 41.33 | 46.20 | 50.85 | 93.00 | 100.71 | 44.08 | 77.36 | 125.00 | |
inulobiose | 315.33 | 209.83 | 449.80 | 289.54 | 283.11 | 167.00 | 282.31 | 238.79 | 146.89 | 172.50 | 213.87 | 143.92 | 275.44 | 206.43 | 490.85 | 170.21 | 225.11 | |
isocitric acid | 362.11 | 280.00 | 284.40 | 352.38 | 288.67 | 339.14 | 296.77 | 265.64 | 304.56 | 381.83 | 342.53 | 322.85 | 315.33 | 330.57 | 356.54 | 311.50 | 329.11 | |
isoleucine | 30138.33 | 28374.33 | 26778.80 | 25814.69 | 23878.78 | 29020.29 | 28427.08 | 24199.57 | 20324.56 | 16582.50 | 16601.73 | 18829.00 | 20819.22 | 19634.29 | 16110.08 | 18374.14 | 24301.74 | |
isothreonic acid | 998.33 | 981.83 | 1306.67 | 940.62 | 1252.67 | 1002.43 | 1531.69 | 963.00 | 710.78 | 695.67 | 690.93 | 564.31 | 1246.44 | 554.29 | 564.77 | 796.79 | 837.11 | |
kynurenine | 188.11 | 149.50 | 132.53 | 153.85 | 149.11 | 180.00 | 183.08 | 213.57 | 121.00 | 96.67 | 111.13 | 91.77 | 131.33 | 97.57 | 101.38 | 118.86 | 146.68 | |
lactamide | 201.11 | 253.50 | 206.60 | 243.85 | 194.78 | 193.00 | 228.92 | 190.93 | 132.78 | 140.67 | 121.47 | 155.00 | 98.22 | 78.43 | 132.77 | 93.71 | 185.37 | |
lactic acid | 111579.67 | 135320.33 | 118893.33 | 162200.46 | 106762.22 | 110632.00 | 139221.23 | 121676.50 | 90240.89 | 78640.50 | 77255.07 | 94968.54 | 56034.67 | 35641.43 | 69657.54 | 50794.36 | 106192.21 | |
lauric acid | 1598.89 | 2339.00 | 2003.47 | 1931.31 | 1954.78 | 1897.14 | 2158.46 | 1813.79 | 1270.89 | 1499.83 | 1412.07 | 1267.77 | 1792.78 | 1238.00 | 1354.31 | 1509.93 | 1763.42 | |
leucine | 38342.00 | 40438.17 | 43770.27 | 34526.23 | 46521.33 | 40125.14 | 44831.46 | 40761.86 | 32404.56 | 23735.50 | 24317.93 | 24588.77 | 28185.00 | 27503.00 | 23670.46 | 25801.64 | 34672.58 | |
levoglucosan | 577.11 | 650.67 | 379.80 | 392.62 | 436.67 | 338.14 | 393.69 | 445.36 | 249.33 | 298.50 | 372.00 | 327.15 | 307.22 | 327.57 | 175.54 | 423.00 | 379.68 | |
lignoceric acid | 494.56 | 428.83 | 347.73 | 266.54 | 453.56 | 234.29 | 319.31 | 359.50 | 340.56 | 408.00 | 251.13 | 301.85 | 217.00 | 688.71 | 270.62 | 286.93 | 393.89 | |
linoleic acid | 1477.33 | 1073.33 | 1643.00 | 1857.46 | 1750.00 | 2025.14 | 2301.08 | 1583.71 | 1038.11 | 1114.17 | 943.67 | 934.62 | 1123.22 | 1183.57 | 1269.08 | 993.71 | 1441.58 | |
linolenic acid | 1619.00 | 921.17 | 1765.27 | 1807.31 | 2167.33 | 1860.00 | 2262.08 | 1930.00 | 1032.22 | 721.33 | 904.13 | 933.62 | 1412.67 | 1005.43 | 1720.77 | 1259.21 | 1823.58 | |
lysine | 33277.67 | 24521.67 | 29356.87 | 26456.54 | 29664.44 | 27736.43 | 32546.92 | 28639.29 | 21160.22 | 14389.00 | 16936.47 | 18351.77 | 17120.89 | 18131.00 | 16622.69 | 17107.93 | 23665.74 | |
malate | 194.67 | 196.00 | 714.67 | 240.85 | 186.22 | 207.71 | 265.85 | 254.29 | 175.33 | 157.83 | 170.13 | 182.69 | 295.11 | 137.71 | 201.23 | 144.07 | 203.63 | |
maleimide | 1704.22 | 1718.00 | 1558.13 | 1252.46 | 1492.56 | 1574.43 | 1654.23 | 1495.14 | 624.89 | 222.33 | 453.47 | 575.08 | 677.22 | 562.71 | 444.46 | 517.86 | 1165.95 | |
maltose | 423.67 | 172.50 | 219.07 | 260.15 | 143.00 | 235.57 | 204.31 | 204.50 | 243.89 | 165.00 | 121.47 | 284.54 | 119.11 | 106.14 | 115.92 | 156.14 | 151.84 | |
maltotriose | 155.78 | 196.33 | 114.20 | 152.85 | 129.78 | 148.29 | 102.77 | 106.00 | 152.11 | 91.50 | 97.67 | 164.08 | 79.78 | 91.29 | 95.08 | 134.71 | 117.05 | |
mannitol | 17435.89 | 6971.17 | 7479.33 | 8169.54 | 6128.00 | 5983.29 | 15505.54 | 6630.36 | 4376.56 | 4792.17 | 9157.33 | 3319.92 | 8169.22 | 4948.00 | 4896.08 | 4680.86 | 4860.95 | |
methanolphosphate | 418.56 | 410.33 | 393.47 | 491.77 | 480.78 | 469.14 | 528.08 | 422.29 | 232.33 | 276.33 | 285.93 | 273.62 | 328.56 | 357.57 | 265.85 | 381.64 | 446.53 | |
methionine | 1901.00 | 2126.00 | 1934.87 | 1614.38 | 2133.89 | 1722.57 | 1857.23 | 1816.14 | 1303.78 | 890.50 | 1249.47 | 1179.62 | 1201.89 | 1225.14 | 1087.54 | 1123.00 | 1506.79 | |
methionine sulfoxide | 361.89 | 286.83 | 325.27 | 298.31 | 350.67 | 318.14 | 429.31 | 300.86 | 221.00 | 147.33 | 186.73 | 213.92 | 278.11 | 183.43 | 187.00 | 201.64 | 252.79 | |
methylhexadecanoic acid | 1673.67 | 1474.67 | 1576.27 | 1747.62 | 1623.67 | 1654.57 | 2009.15 | 1577.00 | 1173.44 | 1169.00 | 1146.13 | 1039.92 | 1142.44 | 1136.00 | 1307.00 | 1054.00 | 1569.89 | |
myo-inositol | 6953.89 | 5326.67 | 8125.87 | 7447.85 | 5732.89 | 7100.14 | 7495.38 | 6268.50 | 5098.67 | 4046.83 | 4407.20 | 4362.00 | 9121.67 | 4793.43 | 4765.46 | 5711.86 | 5732.95 | |
myristic acid | 814.44 | 838.00 | 1176.67 | 960.08 | 1021.78 | 1009.00 | 1148.00 | 918.21 | 680.56 | 785.50 | 683.53 | 668.31 | 814.33 | 665.71 | 738.23 | 650.43 | 896.63 | |
N-acetylglucosamine | 195176.44 | 311987.17 | 230985.40 | 251855.15 | 182894.78 | 264358.43 | 70089.31 | 264669.36 | 634981.44 | 868977.67 | 753399.93 | 769311.92 | 720591.11 | 821928.71 | 780124.85 | 785634.71 | 462043.47 | |
N-acetylglutamate | 348.89 | 538.17 | 319.07 | 365.46 | 322.00 | 373.00 | 322.08 | 294.29 | 272.33 | 269.83 | 235.40 | 244.62 | 235.56 | 211.57 | 249.77 | 221.07 | 336.16 | |
N-acetylglycine NIST | 121.22 | 117.00 | 125.67 | 137.54 | 132.89 | 159.71 | 146.38 | 121.29 | 145.00 | 68.67 | 108.53 | 86.92 | 127.67 | 102.71 | 109.15 | 107.57 | 131.37 | |
naproxen | 2882.56 | 194.67 | 268.47 | 347.00 | 268.00 | 114.57 | 1112.08 | 4041.14 | 76.56 | 381.17 | 3084.13 | 121.69 | 787.11 | 2155.57 | 232.92 | 1741.43 | 2298.21 | |
nicotinic acid | 101.67 | 156.00 | 147.13 | 176.15 | 177.78 | 133.29 | 84.31 | 147.29 | 359.00 | 308.17 | 238.80 | 265.92 | 206.67 | 192.43 | 260.69 | 214.36 | 217.47 | |
N-methylalanine | 6842.22 | 6339.50 | 6507.47 | 6954.00 | 7283.00 | 7466.57 | 6683.62 | 6514.79 | 5842.22 | 3811.00 | 4760.13 | 3565.85 | 3951.11 | 3828.86 | 4620.46 | 3755.57 | 6146.26 | |
oleic acid | 3058.22 | 2634.67 | 3509.13 | 4985.38 | 3683.00 | 4742.00 | 5157.08 | 3399.43 | 2406.67 | 3059.83 | 2325.07 | 2245.85 | 2939.11 | 2790.00 | 3416.62 | 2343.79 | 3410.53 | |
ornithine | 25055.56 | 16948.33 | 26890.13 | 23097.62 | 20783.56 | 23157.00 | 27991.23 | 26830.43 | 19287.67 | 12040.00 | 13992.13 | 17490.00 | 11419.67 | 12982.43 | 13930.00 | 12160.29 | 19427.00 | |
oxalic acid | 23998.89 | 41891.17 | 48142.47 | 66332.31 | 48707.00 | 36474.71 | 19570.00 | 41675.21 | 127152.56 | 130399.17 | 88204.27 | 107551.85 | 80392.33 | 84624.14 | 105982.92 | 92438.57 | 80686.95 | |
oxoproline | 68482.22 | 77257.83 | 73053.20 | 61309.69 | 82419.67 | 77893.43 | 88355.00 | 77909.36 | 57175.44 | 39612.17 | 48505.53 | 47900.15 | 60171.11 | 41032.43 | 49451.69 | 48493.29 | 65386.16 | |
palmitic acid | 17272.11 | 17307.83 | 19341.73 | 20209.00 | 19406.44 | 21567.43 | 23672.31 | 18036.36 | 12991.78 | 14153.33 | 13593.53 | 12311.77 | 13842.44 | 13894.00 | 15045.46 | 13032.29 | 17611.21 | |
palmitoleic acid | 1373.56 | 1744.67 | 2414.13 | 2666.08 | 2396.78 | 3169.71 | 2713.00 | 1930.57 | 1518.44 | 2106.17 | 1448.60 | 1255.77 | 2065.78 | 1564.29 | 2010.62 | 1690.21 | 2115.74 | |
parabanic acid NIST | 418.11 | 328.50 | 390.67 | 384.54 | 373.22 | 280.71 | 382.23 | 372.50 | 410.33 | 324.67 | 269.73 | 353.23 | 267.33 | 242.43 | 309.00 | 290.00 | 379.53 | |
paracetamol | 236.44 | 278.67 | 235.73 | 159.15 | 230.78 | 729.14 | 456.08 | 382.71 | 247.33 | 93.83 | 393.00 | 96.62 | 366.00 | 212.14 | 122.77 | 166.43 | 173.16 | |
pelargonic acid | 3995.11 | 3999.50 | 3585.93 | 4070.08 | 3570.56 | 3880.57 | 3992.54 | 3934.21 | 2589.11 | 2222.50 | 2290.07 | 2402.46 | 2703.00 | 2459.86 | 2611.85 | 2358.07 | 3403.42 | |
phenylacetic acid | 129.89 | 134.33 | 144.07 | 111.85 | 162.33 | 115.00 | 148.23 | 120.29 | 78.44 | 58.67 | 68.80 | 86.62 | 109.89 | 96.00 | 93.38 | 82.14 | 111.84 | |
phenylalanine | 13589.00 | 12099.67 | 13195.93 | 14726.23 | 11712.22 | 13102.14 | 15108.00 | 13398.57 | 9178.44 | 6251.67 | 8183.93 | 9442.54 | 8096.00 | 8961.43 | 8176.92 | 7673.07 | 11367.00 | |
phenylethylamine | 629.22 | 434.67 | 461.07 | 839.15 | 369.89 | 495.00 | 460.54 | 629.71 | 413.78 | 170.50 | 274.20 | 305.69 | 469.89 | 445.86 | 272.15 | 324.57 | 437.95 | |
pimelic acid | 310.78 | 196.17 | 208.40 | 208.08 | 200.78 | 162.57 | 263.15 | 431.50 | 200.11 | 91.50 | 110.07 | 160.85 | 149.78 | 60.86 | 79.08 | 108.50 | 155.16 | |
pipecolic acid | 359.11 | 336.17 | 228.67 | 266.92 | 520.44 | 1142.43 | 228.31 | 577.07 | 200.22 | 136.50 | 174.60 | 129.38 | 430.44 | 306.14 | 205.23 | 495.43 | 227.63 | |
proline | 68495.00 | 58786.67 | 72993.87 | 52625.31 | 68601.22 | 69519.86 | 69495.46 | 69198.93 | 43482.33 | 29413.83 | 40850.87 | 31559.85 | 43689.67 | 33256.14 | 28711.77 | 43130.29 | 44713.42 | |
pseudo uridine | 1365.22 | 1342.33 | 1245.47 | 1461.31 | 1366.56 | 1461.14 | 1502.00 | 1237.21 | 1064.67 | 907.17 | 861.33 | 820.08 | 1815.44 | 1013.86 | 842.54 | 1107.71 | 1210.74 | |
pyrophosphate | 1042.78 | 2172.00 | 1214.40 | 1342.08 | 1243.11 | 1311.00 | 781.62 | 976.21 | 2535.67 | 1922.17 | 2238.13 | 2428.69 | 1068.00 | 1268.57 | 1743.23 | 2799.93 | 1488.37 | |
pyruvic acid | 1082.67 | 1475.00 | 823.87 | 1538.77 | 814.44 | 783.57 | 300.92 | 372.00 | 2306.22 | 2385.50 | 1603.27 | 1795.31 | 543.44 | 1333.29 | 1711.00 | 1034.29 | 1436.95 | |
quinic acid | 603.22 | 931.67 | 5347.73 | 686.00 | 944.00 | 426.86 | 822.77 | 713.86 | 291.67 | 262.67 | 337.67 | 508.85 | 1630.56 | 743.43 | 360.00 | 427.93 | 448.47 | |
rhamnose | 1395.56 | 1063.83 | 1039.20 | 1249.15 | 1049.78 | 1105.14 | 1357.15 | 1185.21 | 775.67 | 699.50 | 792.07 | 968.54 | 1080.33 | 993.00 | 780.31 | 897.93 | 1003.47 | |
ribose | 75.67 | 47.50 | 79.47 | 69.23 | 95.78 | 72.57 | 97.92 | 61.29 | 63.33 | 46.67 | 54.27 | 61.85 | 91.89 | 43.57 | 52.77 | 64.79 | 56.11 | |
saccharic acid | 110.11 | 131.17 | 551.33 | 103.54 | 130.56 | 105.71 | 134.46 | 104.79 | 116.44 | 98.83 | 90.40 | 88.38 | 191.78 | 86.29 | 79.38 | 95.64 | 102.79 | |
salicylic acid | 2545.33 | 33271.33 | 13227.60 | 1600.08 | 21280.44 | 926.71 | 8132.54 | 2385.29 | 368.33 | 2131.83 | 677.87 | 8796.92 | 13980.44 | 1478.86 | 1479.38 | 1293.71 | 519.89 | |
serine | 10121.56 | 9659.67 | 12847.73 | 9560.46 | 11895.11 | 10070.43 | 14023.00 | 13360.07 | 8275.11 | 4940.67 | 6464.53 | 6979.85 | 5997.78 | 5578.86 | 6871.23 | 5487.93 | 9589.42 | |
shikimic acid | 1430.44 | 926.50 | 1263.93 | 900.46 | 1442.78 | 1039.14 | 1108.77 | 1577.57 | 329.00 | 114.50 | 357.13 | 274.62 | 424.44 | 338.71 | 432.77 | 310.07 | 795.53 | |
stearic acid | 95122.89 | 95076.00 | 91827.13 | 100466.62 | 90577.33 | 93779.00 | 107937.08 | 86805.79 | 69525.78 | 74071.33 | 73261.73 | 66207.54 | 67307.78 | 72492.43 | 81841.08 | 69100.86 | 90713.84 | |
succinic acid | 534.33 | 537.00 | 497.93 | 488.54 | 540.44 | 561.14 | 642.54 | 563.71 | 352.22 | 165.50 | 274.07 | 305.38 | 316.89 | 321.71 | 317.15 | 251.64 | 435.21 | |
sucrose | 184.44 | 430.83 | 2340.07 | 113.54 | 304.22 | 63.43 | 205.62 | 156.93 | 80.56 | 98.17 | 95.53 | 146.46 | 559.78 | 104.43 | 110.38 | 96.29 | 115.84 | |
tagatose | 1715.33 | 1539.00 | 1234.73 | 1673.46 | 2714.00 | 1697.00 | 2267.31 | 1433.50 | 977.22 | 416.67 | 737.93 | 680.38 | 1302.56 | 991.00 | 623.38 | 1089.93 | 1194.79 | |
taurine | 4559.89 | 3610.00 | 4730.20 | 4467.08 | 3582.00 | 5215.43 | 5416.00 | 5379.71 | 2579.22 | 1168.83 | 1854.00 | 2481.23 | 1443.33 | 1387.00 | 1523.77 | 1950.43 | 3174.68 | |
threitol | 270.44 | 263.50 | 281.60 | 307.08 | 278.78 | 308.43 | 279.54 | 327.50 | 221.44 | 186.83 | 201.80 | 196.69 | 391.33 | 199.57 | 231.38 | 214.64 | 275.11 | |
threonic acid | 1961.44 | 2371.50 | 4868.33 | 3715.77 | 3657.89 | 1848.14 | 4391.62 | 2708.36 | 1744.00 | 1518.83 | 1674.53 | 1766.62 | 1609.33 | 1282.43 | 2379.54 | 1989.64 | 2696.47 | |
threonine | 19370.44 | 15770.00 | 18786.27 | 15509.62 | 22397.89 | 16523.71 | 22213.08 | 17755.86 | 14722.67 | 10389.00 | 11050.40 | 12361.85 | 15308.78 | 11802.57 | 11414.08 | 11921.07 | 15407.63 | |
threose | 176.33 | 145.50 | 146.73 | 185.23 | 193.33 | 183.57 | 189.31 | 144.00 | 105.78 | 86.00 | 102.80 | 87.08 | 124.44 | 115.86 | 101.46 | 105.21 | 140.79 | |
tocopherol alpha | 2564.89 | 2297.83 | 3009.00 | 3000.31 | 3117.67 | 2504.29 | 4598.62 | 2468.79 | 2052.78 | 2120.17 | 2359.93 | 1958.00 | 1889.89 | 1540.29 | 2149.38 | 1807.79 | 2954.32 | |
trans-4-hydroxyproline | 1055.00 | 748.33 | 732.47 | 855.38 | 903.89 | 1112.14 | 801.15 | 693.21 | 1041.22 | 546.50 | 644.73 | 531.23 | 804.22 | 663.57 | 554.62 | 685.14 | 954.84 | |
tryptophan | 30898.11 | 27335.33 | 27541.00 | 26891.00 | 30498.89 | 29227.57 | 29649.08 | 26220.71 | 18791.33 | 12396.67 | 17278.73 | 17485.00 | 16653.67 | 17579.86 | 19769.00 | 17752.36 | 23478.16 | |
tyrosine | 31286.89 | 26008.17 | 29026.80 | 28635.38 | 26727.11 | 26780.14 | 31971.54 | 25222.79 | 19485.78 | 14613.33 | 19239.73 | 19140.85 | 16139.33 | 20572.57 | 19016.38 | 18958.14 | 25187.37 | |
urea | 282075.44 | 186555.50 | 239823.20 | 255294.54 | 204254.00 | 253155.43 | 219744.08 | 269210.36 | 177216.44 | 181368.83 | 197587.87 | 173943.46 | 180537.67 | 198550.57 | 184767.46 | 192322.00 | 209968.26 | |
uric acid | 23638.33 | 19618.67 | 19512.60 | 19210.62 | 21173.00 | 22006.71 | 28189.23 | 19621.57 | 17603.00 | 15899.17 | 16159.73 | 12480.85 | 15958.44 | 18103.86 | 11597.85 | 14237.79 | 18552.79 | |
uridine | 108.33 | 130.00 | 109.40 | 116.54 | 112.33 | 129.57 | 96.54 | 106.00 | 119.89 | 93.83 | 112.87 | 119.08 | 115.11 | 111.71 | 119.15 | 93.50 | 122.00 | |
valine | 80937.11 | 71987.50 | 77631.60 | 66289.38 | 84891.44 | 71644.86 | 78787.46 | 72718.00 | 54168.00 | 40993.83 | 46090.47 | 43800.85 | 52202.44 | 52002.71 | 42847.92 | 48535.36 | 64155.84 | |
xanthine | 118.22 | 103.17 | 123.80 | 118.77 | 113.56 | 138.57 | 121.85 | 118.57 | 73.11 | 61.33 | 61.87 | 74.00 | 51.44 | 63.86 | 56.08 | 53.79 | 107.74 | |
xylitol | 210.11 | 298.33 | 190.47 | 202.08 | 222.22 | 293.57 | 254.31 | 244.07 | 189.67 | 129.00 | 150.07 | 157.23 | 215.11 | 180.86 | 145.08 | 254.57 | 244.42 | |
xylose | 732.78 | 812.33 | 880.93 | 971.23 | 948.00 | 761.43 | 1054.00 | 1022.64 | 576.78 | 515.17 | 815.13 | 850.92 | 1201.00 | 606.43 | 686.00 | 641.29 | 844.16 |
Factors:
F1 | Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Current | Gender:F |
F2 | Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Current | Gender:M |
F3 | Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Former | Gender:F |
F4 | Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Former | Gender:M |
F5 | Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:F |
F6 | Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:M |
F7 | Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:F |
F8 | Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:M |
F9 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:F |
F10 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:M |
F11 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:F |
F12 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:M |
F13 | Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:F |
F14 | Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:M |
F15 | Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:F |
F16 | Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:M |
F17 | Organ:Serum or Plasma | Cancer status:NA | Smoker:NA | Gender:NA |