Data for ST000369
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,5-anhydroglucitol | 8963.33 | 17751.67 | 10898.38 | 13290.17 | 6540.00 | 10442.00 | 18500.00 | 10609.00 | 12073.33 | 14406.50 | 12508.38 | 12245.44 | 10157.00 | 9208.25 | 13786.00 | 8908.00 | 11676.40 | 9964.00 | 3543.50 | 11076.00 | 17527.00 | 10023.00 | 11098.00 | 12445.75 | 11596.07 | 13055.57 | |
| 1-monopalmitin | 113.00 | 85.00 | 145.43 | 106.83 | 92.67 | 152.00 | 100.00 | 162.00 | 141.33 | 147.75 | 106.46 | 98.00 | 135.33 | 116.62 | 139.50 | 159.52 | 109.50 | 70.00 | 76.00 | 224.00 | 42.00 | 45.00 | 128.83 | 90.75 | 120.71 | 140.86 | |
| 1-monostearin | 54.44 | 77.67 | 80.10 | 61.58 | 31.33 | 47.00 | 64.00 | 49.00 | 81.67 | 67.25 | 65.23 | 69.44 | 159.11 | 75.12 | 52.25 | 96.19 | 62.70 | 47.00 | 59.00 | 50.00 | 49.00 | 31.00 | 68.17 | 72.25 | 82.21 | 86.43 | |
| 2,3,5-trihydroxypyrazine NIST | 75.89 | 83.33 | 87.67 | 68.83 | 61.67 | 52.00 | 61.00 | 159.00 | 67.17 | 86.75 | 71.46 | 62.44 | 70.83 | 70.75 | 72.00 | 61.76 | 54.30 | 57.00 | 32.50 | 62.00 | 36.00 | 101.00 | 72.17 | 44.50 | 63.93 | 55.57 | |
| 238267 trisaccharide | 72.56 | 132.33 | 96.57 | 85.50 | 58.33 | 100.00 | 288.00 | 50.00 | 64.33 | 75.50 | 86.08 | 66.11 | 50.06 | 47.00 | 82.75 | 59.81 | 97.10 | 21.00 | 52.00 | 62.00 | 54.00 | 47.00 | 75.17 | 49.25 | 69.43 | 51.00 | |
| 2,3-dihydroxybutanoic acid NIST | 116.67 | 191.33 | 142.38 | 149.67 | 74.00 | 123.00 | 124.00 | 276.00 | 114.33 | 127.75 | 133.54 | 136.22 | 111.39 | 84.12 | 133.25 | 137.62 | 115.90 | 169.00 | 147.50 | 68.00 | 118.00 | 102.00 | 129.50 | 101.75 | 162.79 | 143.14 | |
| 2-aminoadipic acid | 79.56 | 108.33 | 92.14 | 122.00 | 86.67 | 160.00 | 117.00 | 90.00 | 75.33 | 85.75 | 81.54 | 101.33 | 77.67 | 70.88 | 86.00 | 74.62 | 91.80 | 41.00 | 111.50 | 227.00 | 40.00 | 44.00 | 73.17 | 73.75 | 87.21 | 109.57 | |
| 2-deoxyerythritol | 633.78 | 362.00 | 594.76 | 476.08 | 436.33 | 149.00 | 193.00 | 298.00 | 271.50 | 496.50 | 567.54 | 306.44 | 408.33 | 670.75 | 284.00 | 566.00 | 331.40 | 790.00 | 432.00 | 253.00 | 266.00 | 2747.00 | 293.83 | 374.50 | 508.79 | 303.71 | |
| 2-deoxytetronic acid | 167.33 | 190.67 | 190.90 | 162.83 | 135.00 | 296.00 | 122.00 | 243.00 | 119.00 | 179.25 | 150.69 | 170.00 | 152.44 | 158.25 | 145.00 | 175.71 | 143.30 | 161.00 | 163.00 | 199.00 | 217.00 | 107.00 | 104.83 | 190.50 | 161.21 | 168.14 | |
| 2-hydroxybutanoic acid | 9919.89 | 11527.33 | 14650.76 | 14423.42 | 12835.00 | 36036.00 | 15111.00 | 8135.00 | 9495.17 | 22003.75 | 9569.46 | 12006.67 | 10711.28 | 9032.00 | 10757.50 | 15404.38 | 18316.70 | 18331.00 | 7777.50 | 37582.00 | 14873.00 | 10101.00 | 8846.00 | 21967.00 | 11198.43 | 15336.57 | |
| 2-hydroxyglutaric acid | 265.44 | 368.00 | 374.00 | 404.08 | 235.33 | 271.00 | 399.00 | 229.00 | 256.67 | 266.00 | 268.23 | 255.00 | 399.44 | 481.50 | 258.00 | 485.38 | 567.10 | 937.00 | 605.50 | 212.00 | 456.00 | 336.00 | 266.33 | 523.50 | 440.07 | 355.86 | |
| 2-hydroxyhippuric acid | 82.44 | 1237.00 | 132.05 | 1364.50 | 138.67 | 52.00 | 74.00 | 124.00 | 57.00 | 82.25 | 78.77 | 127.44 | 201.61 | 90.50 | 632.75 | 141.71 | 56.20 | 53.00 | 3255.00 | 53.00 | 50.00 | 81.00 | 79.33 | 46.00 | 73.79 | 61.29 | |
| 2-hydroxyvaleric acid | 3226.11 | 1110.67 | 2153.29 | 1086.83 | 814.00 | 1089.00 | 673.00 | 886.00 | 678.83 | 993.25 | 2906.46 | 925.67 | 1177.67 | 546.88 | 759.00 | 937.86 | 731.00 | 746.00 | 1676.50 | 731.00 | 1187.00 | 822.00 | 739.67 | 945.00 | 794.57 | 947.86 | |
| 2-ketoisocaproic acid | 3207.11 | 3656.67 | 4031.00 | 3843.17 | 3895.33 | 3965.00 | 5421.00 | 3080.00 | 3217.83 | 4314.50 | 3415.08 | 4263.22 | 3198.78 | 2402.00 | 2494.75 | 3080.86 | 3169.80 | 1774.00 | 1963.50 | 3577.00 | 4666.00 | 3027.00 | 2685.50 | 3035.00 | 2889.43 | 3653.86 | |
| 2-oxogluconic acid NIST | 62.78 | 64.67 | 76.71 | 82.33 | 107.67 | 55.00 | 55.00 | 64.00 | 82.83 | 68.25 | 73.23 | 92.11 | 47.83 | 86.12 | 93.75 | 86.05 | 57.00 | 258.00 | 179.50 | 43.00 | 53.00 | 102.00 | 187.33 | 72.75 | 108.71 | 86.71 | |
| 3-aminoisobutyric acid | 595.11 | 323.67 | 536.14 | 357.58 | 861.33 | 342.00 | 515.00 | 349.00 | 493.33 | 441.75 | 520.00 | 342.22 | 483.11 | 325.12 | 182.25 | 369.48 | 239.00 | 774.00 | 157.50 | 296.00 | 313.00 | 304.00 | 405.33 | 286.00 | 329.79 | 227.29 | |
| 3-hydroxybutanoic acid | 3663.89 | 8470.67 | 13037.33 | 9681.58 | 8471.67 | 140127.00 | 2972.00 | 6671.00 | 2282.50 | 10158.00 | 5699.00 | 5787.00 | 7208.17 | 2936.75 | 6477.50 | 12978.24 | 11037.60 | 22919.00 | 3093.00 | 140224.00 | 2715.00 | 7033.00 | 2137.17 | 9530.50 | 5810.14 | 6538.86 | |
| 3-phosphoglycerate | 242.56 | 234.00 | 271.05 | 318.00 | 156.33 | 194.00 | 968.00 | 264.00 | 101.83 | 137.00 | 171.77 | 207.00 | 133.50 | 150.25 | 208.25 | 113.00 | 190.40 | 93.00 | 261.50 | 51.00 | 48.00 | 70.00 | 80.83 | 57.00 | 64.86 | 191.14 | |
| 400671 carbohydrate | 490.22 | 942.33 | 571.24 | 650.33 | 568.00 | 555.00 | 582.00 | 841.00 | 753.33 | 471.25 | 735.85 | 790.56 | 402.33 | 596.12 | 847.00 | 548.38 | 444.60 | 374.00 | 687.00 | 398.00 | 588.00 | 783.00 | 579.67 | 684.50 | 684.64 | 639.14 | |
| 4-hydroxyphenylacetic acid | 62.67 | 83.33 | 97.14 | 173.08 | 51.67 | 62.00 | 49.00 | 159.00 | 63.33 | 91.50 | 61.69 | 80.56 | 52.94 | 77.88 | 77.00 | 105.48 | 42.30 | 69.00 | 509.50 | 49.00 | 35.00 | 87.00 | 73.83 | 60.50 | 76.29 | 74.00 | |
| 4-hydroxyproline | 2348.78 | 2779.00 | 2568.67 | 2806.50 | 3307.67 | 2971.00 | 3228.00 | 2375.00 | 2739.50 | 2376.50 | 2164.15 | 2607.56 | 3413.78 | 2926.62 | 2968.00 | 3060.10 | 2275.00 | 2895.00 | 4174.50 | 3188.00 | 3507.00 | 77.00 | 2664.83 | 2717.50 | 2970.07 | 2352.29 | |
| 5-aminovaleric acid lactame | 152.89 | 389.00 | 342.43 | 245.58 | 173.33 | 311.00 | 360.00 | 199.00 | 129.83 | 508.75 | 216.15 | 231.11 | 205.78 | 234.50 | 299.25 | 251.52 | 113.50 | 259.00 | 347.00 | 405.00 | 300.00 | 456.00 | 120.67 | 218.25 | 163.64 | 244.43 | |
| 5-hydroxynorvaline NIST | 171.11 | 295.00 | 233.14 | 241.75 | 200.33 | 165.00 | 116.00 | 372.00 | 182.00 | 283.50 | 295.46 | 269.22 | 188.28 | 169.25 | 198.50 | 234.48 | 199.70 | 376.00 | 199.00 | 74.00 | 139.00 | 80.00 | 211.83 | 222.75 | 269.93 | 162.43 | |
| 5-methoxytryptamine | 176.56 | 323.00 | 304.90 | 330.42 | 54.67 | 962.00 | 1198.00 | 250.00 | 247.50 | 116.75 | 231.46 | 202.44 | 255.67 | 396.38 | 224.25 | 313.81 | 226.50 | 119.00 | 174.00 | 810.00 | 392.00 | 389.00 | 319.50 | 380.75 | 299.64 | 372.43 | |
| 6-deoxyglucitol NIST | 1202.00 | 720.00 | 1425.67 | 1304.67 | 1392.67 | 458.00 | 1472.00 | 794.00 | 931.50 | 1446.50 | 1533.69 | 1668.89 | 1778.28 | 1009.00 | 1008.75 | 1083.52 | 1262.10 | 1418.00 | 1785.00 | 979.00 | 1568.00 | 1099.00 | 1127.50 | 1417.50 | 1763.93 | 1870.71 | |
| 715929 carbohydrate | 509.33 | 1329.67 | 1072.00 | 2160.00 | 154.67 | 893.00 | 3296.00 | 650.00 | 381.83 | 266.25 | 781.08 | 452.89 | 785.72 | 422.00 | 449.25 | 473.14 | 388.50 | 335.00 | 2720.00 | 209.00 | 510.00 | 111.00 | 337.83 | 285.25 | 237.00 | 242.57 | |
| acetophenone NIST | 1468.89 | 849.67 | 1025.52 | 837.08 | 568.00 | 887.00 | 638.00 | 678.00 | 965.50 | 775.75 | 1103.62 | 770.11 | 513.78 | 739.62 | 873.00 | 732.86 | 584.90 | 1093.00 | 419.50 | 1112.00 | 558.00 | 1605.00 | 919.33 | 555.25 | 849.50 | 765.00 | |
| aconitic acid | 99.67 | 176.33 | 172.00 | 183.08 | 130.00 | 133.00 | 51.00 | 89.00 | 147.50 | 159.25 | 170.54 | 153.22 | 200.89 | 85.38 | 69.50 | 81.10 | 49.80 | 54.00 | 265.00 | 42.00 | 57.00 | 142.00 | 73.17 | 60.00 | 98.00 | 81.43 | |
| adenosine-5-phosphate | 317.00 | 391.67 | 527.86 | 463.08 | 96.33 | 998.00 | 1237.00 | 51.00 | 132.50 | 120.25 | 303.46 | 216.33 | 263.33 | 192.00 | 71.00 | 134.24 | 49.90 | 60.00 | 4528.50 | 58.00 | 42.00 | 1092.00 | 84.50 | 63.00 | 115.14 | 64.57 | |
| adipic acid | 480.67 | 223.67 | 519.57 | 588.25 | 290.33 | 411.00 | 1027.00 | 399.00 | 450.50 | 584.75 | 504.69 | 504.56 | 487.78 | 235.00 | 245.00 | 257.24 | 268.10 | 384.00 | 322.50 | 383.00 | 181.00 | 256.00 | 401.17 | 223.25 | 300.86 | 224.14 | |
| alanine | 133654.67 | 183691.00 | 121905.00 | 133415.75 | 130004.00 | 65429.00 | 160494.00 | 72672.00 | 142402.50 | 98031.50 | 127342.38 | 139345.44 | 103712.56 | 153728.38 | 150312.00 | 129648.10 | 147213.50 | 148061.00 | 101114.50 | 77027.00 | 145417.00 | 102646.00 | 149389.50 | 97430.25 | 150449.71 | 149718.29 | |
| allantoic acid | 63.78 | 108.00 | 92.00 | 62.25 | 44.00 | 53.00 | 101.00 | 117.00 | 75.67 | 75.00 | 69.77 | 90.00 | 76.44 | 58.00 | 76.75 | 64.71 | 64.30 | 54.00 | 45.00 | 43.00 | 38.00 | 102.00 | 76.33 | 95.75 | 64.07 | 105.57 | |
| alpha ketoglutaric acid | 408.00 | 422.33 | 437.90 | 602.33 | 540.33 | 248.00 | 311.00 | 344.00 | 275.83 | 447.50 | 418.62 | 445.00 | 282.17 | 184.62 | 147.00 | 200.43 | 290.50 | 170.00 | 77.00 | 227.00 | 211.00 | 131.00 | 222.67 | 199.75 | 152.36 | 224.14 | |
| aminomalonic acid | 1491.33 | 783.33 | 1331.71 | 1306.25 | 1575.00 | 696.00 | 1288.00 | 626.00 | 1216.00 | 1002.50 | 1387.15 | 1137.56 | 1488.39 | 918.38 | 538.25 | 897.76 | 739.00 | 1472.00 | 864.50 | 578.00 | 851.00 | 619.00 | 874.83 | 689.50 | 729.86 | 664.14 | |
| arabinose | 292.44 | 306.00 | 337.62 | 253.67 | 266.67 | 300.00 | 103.00 | 229.00 | 249.17 | 296.75 | 226.23 | 279.00 | 243.33 | 190.38 | 215.50 | 251.67 | 234.00 | 133.00 | 399.50 | 213.00 | 92.00 | 248.00 | 216.33 | 288.75 | 205.79 | 189.71 | |
| arabitol | 132.89 | 206.33 | 148.95 | 213.75 | 117.33 | 163.00 | 138.00 | 155.00 | 147.00 | 173.75 | 153.77 | 154.11 | 114.44 | 139.12 | 102.00 | 144.48 | 133.10 | 164.00 | 408.50 | 95.00 | 183.00 | 174.00 | 121.67 | 169.00 | 150.71 | 166.29 | |
| arachidic acid | 1866.11 | 2421.67 | 1911.71 | 1990.25 | 1120.67 | 1487.00 | 2010.00 | 1971.00 | 2267.83 | 2667.00 | 2283.31 | 2239.33 | 2045.56 | 826.62 | 1113.75 | 908.71 | 873.60 | 598.00 | 910.00 | 1256.00 | 756.00 | 1171.00 | 1183.00 | 905.25 | 1029.93 | 893.71 | |
| arachidonic acid | 520.11 | 595.33 | 644.38 | 539.08 | 779.00 | 574.00 | 353.00 | 465.00 | 432.83 | 420.50 | 556.54 | 547.56 | 5050.06 | 561.38 | 604.25 | 765.62 | 768.90 | 1230.00 | 525.00 | 847.00 | 422.00 | 633.00 | 538.00 | 543.00 | 515.71 | 574.86 | |
| asparagine | 1743.33 | 3474.00 | 2214.95 | 2348.50 | 1991.00 | 2392.00 | 2752.00 | 1416.00 | 2740.50 | 2106.50 | 2474.54 | 2798.11 | 2103.94 | 3626.88 | 3067.25 | 3465.90 | 3554.00 | 3108.00 | 2936.50 | 2784.00 | 4003.00 | 4686.00 | 3022.83 | 2871.25 | 3361.50 | 3271.00 | |
| aspartic acid | 705.78 | 685.33 | 1080.67 | 769.08 | 814.67 | 770.00 | 1701.00 | 1107.00 | 857.17 | 566.75 | 851.54 | 726.11 | 718.67 | 3248.88 | 2502.25 | 3831.24 | 4009.20 | 4483.00 | 3952.50 | 2812.00 | 2873.00 | 2941.00 | 2342.33 | 2461.25 | 2122.86 | 2659.14 | |
| azelaic acid | 110.56 | 95.33 | 95.10 | 111.67 | 116.00 | 110.00 | 156.00 | 146.00 | 119.83 | 95.00 | 79.92 | 94.78 | 77.17 | 546.62 | 199.00 | 459.10 | 917.00 | 1229.00 | 238.00 | 87.00 | 218.00 | 171.00 | 176.17 | 196.75 | 217.86 | 232.86 | |
| behenic acid | 202.33 | 317.00 | 224.43 | 240.00 | 302.33 | 336.00 | 83.00 | 280.00 | 316.17 | 240.75 | 208.46 | 230.22 | 143.00 | 349.50 | 387.50 | 314.14 | 288.30 | 46.00 | 106.50 | 118.00 | 280.00 | 96.00 | 244.00 | 214.00 | 236.43 | 331.29 | |
| benzoic acid | 2814.22 | 2982.33 | 3133.67 | 3209.58 | 2497.00 | 2159.00 | 4105.00 | 2778.00 | 2449.50 | 3779.25 | 3270.08 | 3189.56 | 3202.17 | 2615.00 | 2955.75 | 2740.33 | 2438.00 | 1951.00 | 2177.50 | 1909.00 | 1946.00 | 2032.00 | 2753.33 | 2455.50 | 2941.93 | 2734.14 | |
| benzylalcohol | 567.67 | 1475.33 | 903.48 | 1207.08 | 1009.67 | 206.00 | 547.00 | 680.00 | 780.83 | 877.25 | 858.54 | 986.11 | 601.44 | 716.38 | 2746.00 | 1804.14 | 1451.40 | 1602.00 | 2595.00 | 536.00 | 672.00 | 333.00 | 1068.83 | 1289.25 | 2000.29 | 1166.29 | |
| beta-alanine | 231.44 | 226.33 | 249.86 | 320.83 | 214.67 | 157.00 | 318.00 | 312.00 | 184.33 | 185.25 | 246.23 | 230.11 | 168.39 | 417.38 | 289.25 | 292.43 | 478.10 | 370.00 | 390.50 | 135.00 | 284.00 | 475.00 | 224.17 | 265.00 | 347.43 | 300.00 | |
| beta-sitosterol | 80.89 | 94.00 | 119.05 | 126.08 | 51.67 | 136.00 | 129.00 | 104.00 | 140.17 | 121.75 | 117.85 | 107.67 | 220.11 | 115.75 | 118.00 | 112.52 | 72.50 | 69.00 | 89.00 | 103.00 | 71.00 | 133.00 | 100.50 | 96.00 | 95.00 | 131.29 | |
| butane-2,3-diol (NIST) | 2126.56 | 260.00 | 2081.57 | 478.33 | 813.33 | 269.00 | 575.00 | 457.00 | 234.50 | 1050.00 | 1604.85 | 335.00 | 167.11 | 3418.25 | 370.75 | 4053.95 | 403.10 | 2687.00 | 595.50 | 389.00 | 550.00 | 13545.00 | 250.00 | 1364.75 | 1658.00 | 518.57 | |
| capric acid | 1078.78 | 1216.33 | 1300.14 | 1267.42 | 1095.67 | 566.00 | 1576.00 | 1122.00 | 749.67 | 1465.75 | 1188.46 | 1247.11 | 934.22 | 992.88 | 965.50 | 1286.19 | 1069.00 | 1355.00 | 413.00 | 880.00 | 835.00 | 840.00 | 999.83 | 1009.00 | 1293.14 | 1016.43 | |
| caprylic acid | 613.56 | 769.33 | 696.57 | 742.75 | 602.67 | 569.00 | 825.00 | 737.00 | 624.83 | 903.75 | 652.15 | 766.11 | 607.00 | 565.00 | 359.00 | 570.19 | 536.90 | 474.00 | 193.50 | 538.00 | 415.00 | 151.00 | 718.67 | 556.75 | 677.50 | 602.14 | |
| cellobiotol | 166.56 | 272.67 | 269.81 | 461.42 | 56.00 | 203.00 | 707.00 | 191.00 | 128.83 | 94.00 | 190.77 | 155.44 | 175.33 | 114.50 | 192.75 | 136.05 | 113.00 | 76.00 | 480.00 | 115.00 | 145.00 | 98.00 | 91.17 | 124.25 | 82.36 | 126.00 | |
| cholesterol | 54573.44 | 65068.33 | 69316.71 | 60846.33 | 12771.00 | 56387.00 | 73444.00 | 17924.00 | 80366.83 | 52632.50 | 54474.92 | 29888.89 | 185334.44 | 51884.00 | 44143.00 | 39259.71 | 23959.60 | 12268.00 | 20796.50 | 64183.00 | 26069.00 | 37030.00 | 57302.83 | 53429.50 | 34372.57 | 28993.43 | |
| citric acid | 14298.44 | 16509.33 | 20021.48 | 16707.00 | 15106.00 | 10826.00 | 7692.00 | 7967.00 | 13913.00 | 16573.00 | 18117.69 | 17406.22 | 15531.22 | 7744.88 | 6108.50 | 10203.67 | 7556.80 | 10660.00 | 9091.00 | 5716.00 | 3431.00 | 4644.00 | 8393.33 | 8386.50 | 9742.93 | 9001.00 | |
| citrulline | 455.56 | 467.33 | 465.57 | 551.67 | 627.00 | 373.00 | 393.00 | 487.00 | 558.17 | 713.25 | 643.69 | 735.67 | 379.94 | 819.38 | 790.75 | 797.43 | 675.70 | 2056.00 | 555.00 | 711.00 | 763.00 | 677.00 | 640.17 | 720.00 | 1136.43 | 716.71 | |
| conduritol beta expoxide | 302.44 | 145.33 | 422.90 | 666.00 | 636.33 | 228.00 | 271.00 | 175.00 | 198.17 | 180.25 | 477.31 | 276.00 | 362.17 | 370.38 | 147.75 | 470.81 | 626.60 | 1185.00 | 756.00 | 298.00 | 240.00 | 252.00 | 182.33 | 168.00 | 481.14 | 295.14 | |
| creatinine | 2895.89 | 5396.00 | 4472.57 | 11062.67 | 4362.00 | 3456.00 | 4031.00 | 2464.00 | 4685.17 | 4177.00 | 5147.69 | 6766.67 | 3765.33 | 6016.75 | 5965.25 | 7866.81 | 7087.00 | 15645.00 | 32626.50 | 5782.00 | 6898.00 | 4612.00 | 5176.67 | 6467.00 | 9439.14 | 8862.71 | |
| cyano-L-alanine | 74.33 | 107.00 | 110.86 | 89.92 | 282.33 | 146.00 | 103.00 | 214.00 | 66.67 | 91.25 | 117.92 | 143.67 | 67.06 | 68.00 | 82.25 | 109.43 | 61.60 | 596.00 | 77.00 | 86.00 | 66.00 | 141.00 | 124.83 | 63.25 | 129.71 | 107.71 | |
| cysteine | 1055.44 | 1700.67 | 1275.76 | 1376.83 | 896.67 | 1874.00 | 1456.00 | 1161.00 | 2167.33 | 802.00 | 1791.08 | 1185.56 | 2055.17 | 1543.12 | 1154.75 | 1476.90 | 1564.20 | 728.00 | 1329.50 | 1155.00 | 2082.00 | 1050.00 | 1941.50 | 1105.00 | 1501.79 | 1937.71 | |
| cysteine-glycine | 126.67 | 421.33 | 251.38 | 271.67 | 104.67 | 610.00 | 390.00 | 203.00 | 258.83 | 239.75 | 274.00 | 207.22 | 202.06 | 185.88 | 169.75 | 204.05 | 164.50 | 46.00 | 299.50 | 435.00 | 244.00 | 167.00 | 206.17 | 192.50 | 229.57 | 214.14 | |
| cystine | 1544.78 | 3735.33 | 3486.19 | 3661.42 | 2995.00 | 1543.00 | 4096.00 | 5005.00 | 3652.33 | 5373.25 | 5176.00 | 6262.89 | 2343.33 | 4771.00 | 4966.00 | 6127.81 | 5723.50 | 3282.00 | 5362.00 | 1930.00 | 7693.00 | 6050.00 | 4362.17 | 7801.00 | 7733.57 | 9139.00 | |
| cytidine-5^-diphosphate | 108.89 | 152.33 | 130.43 | 173.00 | 122.67 | 111.00 | 116.00 | 145.00 | 107.50 | 100.00 | 88.46 | 117.33 | 90.44 | 121.50 | 118.75 | 169.19 | 194.60 | 88.00 | 209.50 | 280.00 | 135.00 | 410.00 | 131.67 | 146.50 | 131.14 | 130.57 | |
| deoxytetronic acid NIST | 1599.67 | 1425.00 | 839.43 | 1635.25 | 651.67 | 2675.00 | 850.00 | 2077.00 | 675.00 | 1228.00 | 920.31 | 1266.11 | 923.56 | 955.88 | 1122.75 | 1250.71 | 1693.10 | 1207.00 | 1837.00 | 1990.00 | 658.00 | 2167.00 | 610.00 | 1084.50 | 938.64 | 1259.00 | |
| deoxythreittol NIST | 1551.11 | 1211.67 | 2703.29 | 1443.58 | 1068.00 | 536.00 | 1703.00 | 1036.00 | 1001.17 | 1308.00 | 1266.92 | 1392.33 | 1187.56 | 1098.12 | 852.25 | 1108.95 | 1031.10 | 1755.00 | 2123.00 | 424.00 | 1111.00 | 1144.00 | 888.00 | 1087.50 | 1162.36 | 1219.00 | |
| dihydro-3-coumaric acid | 706.22 | 1612.67 | 660.38 | 508.25 | 306.33 | 1804.00 | 396.00 | 434.00 | 1441.17 | 792.00 | 481.08 | 468.56 | 499.00 | 885.75 | 945.75 | 764.71 | 490.10 | 428.00 | 182.50 | 2616.00 | 641.00 | 131.00 | 1797.83 | 582.50 | 614.07 | 537.43 | |
| dodecanol | 300.67 | 247.33 | 294.57 | 252.17 | 190.67 | 169.00 | 265.00 | 428.00 | 188.00 | 298.00 | 266.46 | 322.44 | 217.11 | 238.25 | 245.50 | 230.00 | 192.40 | 238.00 | 127.50 | 163.00 | 161.00 | 475.00 | 236.50 | 260.75 | 287.64 | 307.14 | |
| erythritol | 471.22 | 766.67 | 762.14 | 1152.08 | 436.00 | 322.00 | 393.00 | 693.00 | 11240.50 | 633.50 | 841.62 | 4816.22 | 1886.44 | 543.62 | 620.00 | 733.19 | 659.50 | 962.00 | 1964.00 | 1036.00 | 528.00 | 406.00 | 10329.17 | 452.75 | 806.43 | 5951.57 | |
| ethanolamine | 1067.33 | 1080.33 | 777.71 | 2105.92 | 1681.00 | 200.00 | 2109.00 | 1540.00 | 575.67 | 1468.50 | 1127.31 | 605.44 | 214.44 | 1293.50 | 1944.00 | 1304.76 | 2099.20 | 586.00 | 1298.50 | 257.00 | 3584.00 | 197.00 | 755.50 | 2011.75 | 1309.29 | 1701.86 | |
| fructose | 1608.11 | 2802.67 | 1541.19 | 1633.33 | 2559.33 | 653.00 | 1032.00 | 308.00 | 7810.17 | 992.50 | 3526.92 | 1817.22 | 27509.72 | 1952.38 | 1916.00 | 1236.14 | 1242.60 | 1347.00 | 4758.50 | 703.00 | 1062.00 | 543.00 | 6756.67 | 1673.50 | 4166.14 | 1340.86 | |
| fucose | 630.78 | 1103.67 | 626.19 | 587.17 | 334.67 | 1121.00 | 368.00 | 468.00 | 1053.67 | 410.50 | 511.92 | 490.56 | 519.22 | 687.12 | 743.25 | 640.52 | 473.10 | 331.00 | 600.50 | 1450.00 | 375.00 | 615.00 | 1105.83 | 412.75 | 542.50 | 457.43 | |
| fucose + rhamnose | 737.33 | 999.33 | 1077.38 | 1405.75 | 869.67 | 667.00 | 1211.00 | 1079.00 | 738.33 | 833.50 | 904.15 | 1038.33 | 982.78 | 692.50 | 927.00 | 943.57 | 960.40 | 1048.00 | 2045.50 | 562.00 | 895.00 | 151.00 | 751.67 | 841.50 | 884.36 | 1128.00 | |
| fumaric acid | 236.22 | 261.00 | 278.67 | 273.42 | 323.67 | 291.00 | 294.00 | 304.00 | 149.50 | 325.25 | 259.15 | 342.44 | 227.28 | 247.50 | 226.25 | 301.24 | 261.10 | 418.00 | 402.50 | 267.00 | 232.00 | 104.00 | 223.50 | 325.75 | 285.86 | 344.14 | |
| galactonic acid | 203.44 | 298.67 | 262.52 | 298.67 | 153.67 | 201.00 | 105.00 | 98.00 | 248.67 | 214.00 | 251.85 | 239.44 | 255.06 | 201.00 | 189.75 | 205.76 | 175.20 | 99.00 | 652.50 | 170.00 | 101.00 | 362.00 | 209.67 | 211.00 | 222.29 | 192.14 | |
| galactose-6-phosphate | 57.78 | 51.67 | 66.05 | 56.50 | 50.67 | 86.00 | 65.00 | 70.00 | 75.50 | 72.25 | 57.92 | 61.33 | 45.44 | 56.50 | 77.00 | 55.24 | 43.30 | 44.00 | 71.50 | 48.00 | 74.00 | 89.00 | 65.67 | 52.00 | 58.50 | 62.00 | |
| gamma-glutamyl-valine | 84.22 | 53.00 | 85.00 | 75.25 | 181.33 | 107.00 | 77.00 | 131.00 | 94.17 | 112.50 | 103.31 | 125.56 | 56.78 | 84.62 | 59.50 | 80.95 | 67.30 | 69.00 | 78.50 | 34.00 | 69.00 | 82.00 | 89.83 | 73.25 | 84.50 | 78.86 | |
| gamma-tocopherol | 294.11 | 520.67 | 400.76 | 308.42 | 93.33 | 500.00 | 260.00 | 144.00 | 703.33 | 244.50 | 420.92 | 288.89 | 650.94 | 274.62 | 759.50 | 601.95 | 207.60 | 139.00 | 146.50 | 391.00 | 171.00 | 63.00 | 493.67 | 313.75 | 393.93 | 225.57 | |
| gluconic acid | 179.00 | 256.00 | 235.86 | 268.00 | 121.00 | 203.00 | 150.00 | 180.00 | 194.17 | 214.50 | 204.00 | 235.89 | 247.00 | 177.50 | 166.50 | 172.67 | 160.90 | 118.00 | 576.00 | 141.00 | 112.00 | 72.00 | 188.33 | 191.00 | 184.14 | 182.00 | |
| glucose | 200162.78 | 144420.67 | 163129.48 | 139942.00 | 157487.33 | 148244.00 | 124805.00 | 164675.00 | 243388.83 | 306685.75 | 156507.69 | 185014.89 | 159916.89 | 205644.38 | 102853.75 | 147841.05 | 126889.50 | 57178.00 | 147080.50 | 129507.00 | 121790.00 | 136533.00 | 195980.67 | 271325.25 | 144251.00 | 162483.86 | |
| glucuronic acid | 454.56 | 2667.67 | 412.00 | 1322.83 | 410.33 | 234.00 | 228.00 | 1344.00 | 428.50 | 335.50 | 636.23 | 666.11 | 916.11 | 530.50 | 1004.00 | 479.29 | 349.30 | 236.00 | 4600.00 | 216.00 | 300.00 | 1412.00 | 395.50 | 443.00 | 638.07 | 429.57 | |
| glutamic acid | 5793.22 | 7859.00 | 7924.48 | 7549.92 | 5902.67 | 9353.00 | 10716.00 | 6481.00 | 5386.67 | 5835.50 | 5979.15 | 6760.11 | 6209.11 | 6858.88 | 5018.50 | 8830.67 | 8762.70 | 9944.00 | 7051.00 | 7856.00 | 7729.00 | 7045.00 | 5159.33 | 6194.00 | 4755.64 | 6386.14 | |
| glutamine | 34911.67 | 86917.33 | 39574.38 | 40392.33 | 37810.33 | 47260.00 | 40277.00 | 45006.00 | 48252.17 | 63083.00 | 48768.54 | 57288.33 | 30421.56 | 41469.12 | 54980.75 | 42331.24 | 36466.50 | 17903.00 | 37445.00 | 36250.00 | 43821.00 | 45090.00 | 36474.33 | 44171.75 | 48046.14 | 44330.43 | |
| glutaric acid | 89.78 | 146.00 | 112.81 | 174.33 | 85.67 | 97.00 | 68.00 | 195.00 | 101.17 | 130.75 | 102.85 | 102.00 | 96.72 | 104.00 | 141.75 | 102.52 | 105.20 | 112.00 | 355.50 | 63.00 | 82.00 | 169.00 | 72.50 | 90.75 | 94.21 | 116.86 | |
| glyceric acid | 1360.89 | 1717.00 | 1664.19 | 1642.50 | 1593.67 | 1651.00 | 1785.00 | 796.00 | 1006.67 | 1374.25 | 1636.92 | 1687.78 | 2877.06 | 2150.38 | 1638.25 | 1828.33 | 2055.40 | 1951.00 | 1687.50 | 1248.00 | 2107.00 | 1374.00 | 1325.83 | 2010.25 | 2663.21 | 2369.71 | |
| glycerol | 19056.11 | 13892.33 | 21756.10 | 12628.75 | 15187.00 | 23016.00 | 12898.00 | 9867.00 | 12841.00 | 11529.25 | 15555.85 | 15434.22 | 14913.00 | 15212.62 | 10094.25 | 19321.90 | 12835.80 | 21745.00 | 11309.00 | 17611.00 | 10075.00 | 7503.00 | 10953.17 | 8846.50 | 13565.43 | 13040.00 | |
| glycerol-3-galactoside | 364.78 | 467.00 | 453.76 | 416.67 | 148.67 | 330.00 | 130.00 | 105.00 | 507.33 | 420.50 | 392.31 | 262.22 | 1334.33 | 184.75 | 113.25 | 145.19 | 167.90 | 86.00 | 686.50 | 69.00 | 115.00 | 66.00 | 273.33 | 208.50 | 211.07 | 287.86 | |
| glycerol-alpha-phosphate | 318.22 | 293.00 | 383.29 | 395.58 | 307.67 | 320.00 | 474.00 | 212.00 | 308.67 | 263.25 | 335.69 | 237.78 | 3447.17 | 436.75 | 211.50 | 420.95 | 424.40 | 567.00 | 335.50 | 316.00 | 521.00 | 273.00 | 306.83 | 330.00 | 317.79 | 330.71 | |
| glycine | 79300.44 | 85308.00 | 85785.38 | 81324.08 | 85148.67 | 51886.00 | 77275.00 | 49255.00 | 85420.17 | 73404.25 | 83017.62 | 82187.11 | 66019.83 | 91364.62 | 79666.75 | 97651.76 | 93559.00 | 101492.00 | 131306.00 | 63906.00 | 78369.00 | 64114.00 | 86284.67 | 70117.50 | 90356.57 | 90283.71 | |
| glycolic acid | 606.11 | 876.33 | 638.00 | 745.50 | 481.00 | 465.00 | 765.00 | 571.00 | 536.50 | 637.50 | 583.38 | 636.11 | 786.72 | 400.62 | 613.25 | 434.10 | 440.40 | 631.00 | 468.50 | 505.00 | 502.00 | 180.00 | 481.83 | 492.25 | 429.14 | 480.43 | |
| glyoxalurea NIST | 288.56 | 180.00 | 252.14 | 238.17 | 313.00 | 138.00 | 255.00 | 465.00 | 136.50 | 244.25 | 210.08 | 172.00 | 181.00 | 354.88 | 288.75 | 414.95 | 376.90 | 555.00 | 296.00 | 224.00 | 373.00 | 413.00 | 332.50 | 280.50 | 255.21 | 326.14 | |
| guanosine | 59.44 | 77.67 | 62.90 | 58.17 | 58.67 | 30.00 | 49.00 | 35.00 | 78.00 | 46.50 | 66.92 | 75.11 | 42.94 | 75.38 | 72.00 | 70.05 | 64.80 | 38.00 | 39.50 | 87.00 | 42.00 | 71.00 | 61.33 | 68.25 | 69.79 | 81.71 | |
| heptadecanoic acid NIST | 565.00 | 993.33 | 439.76 | 436.33 | 358.33 | 475.00 | 354.00 | 1246.00 | 382.33 | 417.25 | 673.85 | 522.00 | 636.33 | 376.88 | 714.00 | 334.38 | 337.90 | 440.00 | 204.50 | 453.00 | 176.00 | 420.00 | 313.33 | 381.25 | 515.07 | 462.57 | |
| hippuric acid | 10287.22 | 3754.67 | 8992.48 | 11100.42 | 7824.67 | 3518.00 | 2091.00 | 2362.00 | 7786.50 | 6600.25 | 7616.92 | 5430.22 | 7930.72 | 9060.25 | 4323.25 | 8357.24 | 10794.60 | 6010.00 | 5124.00 | 5080.00 | 1998.00 | 2434.00 | 9798.50 | 10174.75 | 7576.50 | 7090.57 | |
| histidine | 3302.89 | 13138.00 | 5275.71 | 5601.67 | 4598.00 | 5854.00 | 5703.00 | 4968.00 | 7220.33 | 8449.75 | 7705.85 | 7421.22 | 2940.33 | 8667.12 | 8668.75 | 8322.10 | 8603.20 | 3289.00 | 8848.00 | 5312.00 | 12495.00 | 9382.00 | 5663.83 | 9440.00 | 9537.07 | 8843.14 | |
| hydroxylamine | 1104.44 | 1489.00 | 1305.71 | 1371.75 | 1312.00 | 468.00 | 1427.00 | 754.00 | 1250.17 | 1243.50 | 1176.54 | 991.00 | 764.83 | 2005.38 | 1695.50 | 1729.90 | 1961.30 | 1464.00 | 1019.00 | 950.00 | 1287.00 | 2310.00 | 1523.67 | 1433.25 | 2200.50 | 1678.86 | |
| hypoxanthine | 425.89 | 349.33 | 484.38 | 656.00 | 370.00 | 840.00 | 1083.00 | 289.00 | 473.83 | 411.25 | 319.77 | 377.56 | 397.67 | 1246.25 | 836.25 | 1580.24 | 1489.60 | 2499.00 | 2221.50 | 2136.00 | 1579.00 | 1300.00 | 904.50 | 966.50 | 924.79 | 1461.71 | |
| indole-3-acetate | 474.33 | 1247.00 | 830.81 | 868.58 | 699.67 | 410.00 | 600.00 | 2944.00 | 604.17 | 793.25 | 854.77 | 834.56 | 732.44 | 771.38 | 949.25 | 711.38 | 741.50 | 990.00 | 1001.00 | 361.00 | 655.00 | 3607.00 | 596.00 | 761.00 | 956.71 | 829.29 | |
| indole-3-lactate | 408.33 | 615.67 | 560.05 | 604.25 | 366.67 | 319.00 | 601.00 | 240.00 | 561.33 | 670.75 | 558.00 | 661.89 | 442.44 | 409.62 | 379.75 | 539.76 | 565.20 | 329.00 | 395.50 | 271.00 | 491.00 | 879.00 | 566.83 | 539.50 | 563.29 | 650.29 | |
| inosine | 59.11 | 62.00 | 65.19 | 70.67 | 50.00 | 54.00 | 70.00 | 75.00 | 138.50 | 65.25 | 64.92 | 188.56 | 64.72 | 345.75 | 153.00 | 122.05 | 75.80 | 82.00 | 239.00 | 323.00 | 95.00 | 278.00 | 208.83 | 116.00 | 165.86 | 674.14 | |
| inosine 5^-monophosphate | 88.78 | 84.33 | 106.19 | 121.83 | 44.67 | 47.00 | 276.00 | 103.00 | 63.67 | 95.50 | 79.77 | 76.78 | 68.89 | 55.62 | 88.50 | 56.10 | 51.40 | 36.00 | 49.00 | 55.00 | 34.00 | 104.00 | 56.33 | 62.75 | 56.14 | 60.00 | |
| inositol myo- | 4416.44 | 5531.67 | 6842.48 | 10589.58 | 6149.00 | 5802.00 | 6975.00 | 5295.00 | 5418.17 | 5248.00 | 6447.85 | 6944.11 | 6297.50 | 4885.50 | 4124.50 | 5932.14 | 6872.10 | 5949.00 | 22007.00 | 6171.00 | 6042.00 | 5598.00 | 5030.83 | 5099.25 | 6498.29 | 6601.00 | |
| inulobiose | 654.33 | 496.67 | 242.29 | 559.83 | 138.33 | 231.00 | 81.00 | 280.00 | 339.50 | 285.25 | 211.23 | 342.22 | 247.72 | 763.62 | 195.25 | 223.67 | 163.70 | 72.00 | 1413.00 | 159.00 | 59.00 | 140.00 | 246.67 | 284.75 | 221.86 | 247.71 | |
| isocitric acid | 396.89 | 494.00 | 622.33 | 622.00 | 455.67 | 309.00 | 301.00 | 293.00 | 450.33 | 402.00 | 487.69 | 538.78 | 474.50 | 185.88 | 155.75 | 220.95 | 147.10 | 215.00 | 411.50 | 156.00 | 120.00 | 134.00 | 234.83 | 202.75 | 257.57 | 206.00 | |
| isoleucine | 26414.22 | 27737.33 | 29256.62 | 31597.92 | 35240.00 | 34113.00 | 27688.00 | 30519.00 | 27672.17 | 29267.00 | 27441.77 | 32550.56 | 27047.17 | 27446.12 | 23252.50 | 26543.43 | 28708.90 | 18028.00 | 18613.50 | 30037.00 | 27623.00 | 29870.00 | 24564.83 | 25404.50 | 26129.79 | 29817.43 | |
| isolinoleic acid NIST | 124.33 | 130.67 | 184.86 | 184.00 | 146.00 | 107.00 | 131.00 | 117.00 | 180.67 | 107.25 | 133.46 | 140.11 | 183.50 | 102.00 | 107.25 | 149.00 | 111.90 | 163.00 | 71.00 | 133.00 | 80.00 | 103.00 | 109.83 | 98.25 | 105.36 | 121.00 | |
| isothreonic acid | 436.22 | 727.33 | 531.52 | 1036.33 | 410.67 | 323.00 | 429.00 | 462.00 | 586.17 | 446.25 | 523.38 | 656.33 | 719.44 | 449.75 | 527.75 | 481.38 | 455.10 | 716.00 | 2660.00 | 278.00 | 456.00 | 576.00 | 572.00 | 435.00 | 518.50 | 544.57 | |
| kynurenine | 99.78 | 208.33 | 151.52 | 561.42 | 141.67 | 129.00 | 121.00 | 238.00 | 156.17 | 134.75 | 180.77 | 169.67 | 414.89 | 472.62 | 514.75 | 184.33 | 834.60 | 176.00 | 1784.50 | 150.00 | 122.00 | 116.00 | 178.50 | 180.75 | 194.07 | 214.86 | |
| lactamide | 216.67 | 218.00 | 360.71 | 366.67 | 463.33 | 216.00 | 567.00 | 117.00 | 188.00 | 280.00 | 287.46 | 295.33 | 245.94 | 227.88 | 248.25 | 304.05 | 229.40 | 664.00 | 314.50 | 333.00 | 397.00 | 170.00 | 238.67 | 233.50 | 268.71 | 304.14 | |
| lactic acid | 75155.00 | 65126.33 | 94597.10 | 120560.58 | 116805.00 | 58793.00 | 114555.00 | 18325.00 | 57088.67 | 56721.25 | 50708.00 | 65611.78 | 70535.61 | 70716.71 | 64421.50 | 95474.20 | 103362.80 | 199516.00 | 101568.50 | 68130.00 | 136708.00 | - | 73220.00 | 71326.50 | 70493.08 | 85380.71 | |
| lathosterol NIST | 59.78 | 73.33 | 82.33 | 64.00 | 49.33 | 90.00 | 113.00 | 66.00 | 69.33 | 63.75 | 68.46 | 58.89 | 91.94 | 61.38 | 88.25 | 70.90 | 47.90 | 49.00 | 52.00 | 88.00 | 81.00 | 21.00 | 83.83 | 57.75 | 62.93 | 70.29 | |
| lauric acid | 4528.44 | 3594.33 | 5371.95 | 4327.33 | 3260.33 | 2489.00 | 7490.00 | 5414.00 | 3267.33 | 6153.50 | 3633.69 | 4062.56 | 3590.33 | 5130.38 | 2483.75 | 5213.38 | 3210.10 | 2648.00 | 1958.00 | 2441.00 | 2234.00 | 1830.00 | 5742.33 | 3165.75 | 3582.21 | 1729.86 | |
| leucine | 36588.67 | 52137.33 | 38809.24 | 41243.25 | 51036.00 | 68541.00 | 46032.00 | 64292.00 | 40496.50 | 39881.25 | 38678.77 | 41531.89 | 37194.50 | 42383.12 | 44862.75 | 44192.76 | 47206.00 | 42064.00 | 44018.00 | 41538.00 | 56143.00 | 50810.00 | 42913.67 | 42437.50 | 44922.14 | 50057.14 | |
| levanbiose | 98.78 | 103.67 | 88.71 | 232.42 | 81.33 | 118.00 | 160.00 | 90.00 | 128.83 | 88.75 | 78.92 | 89.44 | 64.17 | 161.00 | 108.50 | 155.43 | 125.60 | 95.00 | 318.00 | 142.00 | 259.00 | 177.00 | 127.17 | 210.00 | 163.21 | 174.00 | |
| levoglucosan | 380.33 | 414.33 | 454.81 | 947.33 | 272.33 | 79.00 | 586.00 | 316.00 | 555.33 | 180.00 | 529.15 | 519.78 | 414.11 | 247.50 | 326.25 | 428.52 | 474.00 | 230.00 | 1882.00 | 72.00 | 368.00 | 92.00 | 531.67 | 186.50 | 507.14 | 399.29 | |
| lignoceric acid | 282.89 | 414.67 | 283.38 | 323.92 | 236.33 | 411.00 | 390.00 | 270.00 | 272.33 | 216.75 | 258.31 | 204.89 | 196.56 | 309.62 | 589.00 | 267.57 | 211.00 | 145.00 | 229.00 | 247.00 | 103.00 | 392.00 | 305.00 | 146.75 | 249.71 | 195.00 | |
| linoleic acid | 1207.22 | 894.00 | 1446.67 | 1221.33 | 1142.33 | 2257.00 | 947.00 | 701.00 | 606.17 | 1162.75 | 845.92 | 903.11 | 1828.28 | 694.88 | 683.50 | 1279.14 | 1149.20 | 1630.00 | 1053.00 | 2373.00 | 615.00 | 699.00 | 540.50 | 984.25 | 667.50 | 916.14 | |
| linolenic acid | 936.67 | 1195.33 | 1593.10 | 1230.67 | 1258.67 | 2227.00 | 1159.00 | 912.00 | 518.33 | 1067.50 | 909.15 | 1287.44 | 1966.67 | 611.12 | 787.75 | 1299.43 | 1214.70 | 2150.00 | 346.50 | 2228.00 | 730.00 | 104.00 | 640.50 | 1343.75 | 706.00 | 1314.43 | |
| lysine | 18698.44 | 28376.33 | 22141.10 | 23120.42 | 29788.67 | 22998.00 | 22775.00 | 26999.00 | 27726.33 | 28365.00 | 27768.62 | 30110.00 | 19070.61 | 27438.38 | 25669.75 | 25936.05 | 24585.40 | 24742.00 | 21406.00 | 26270.00 | 39096.00 | 29190.00 | 24169.67 | 25668.25 | 28947.79 | 30008.86 | |
| lyxose | 102.89 | 120.00 | 121.81 | 107.67 | 354.67 | 127.00 | 88.00 | 210.00 | 110.17 | 155.25 | 172.31 | 130.00 | 104.44 | 114.00 | 133.75 | 133.52 | 107.70 | 646.00 | 134.00 | 68.00 | 62.00 | 135.00 | 324.83 | 108.25 | 216.29 | 126.57 | |
| maleimide | 422.89 | 446.67 | 499.57 | 357.58 | 340.67 | 434.00 | 289.00 | 234.00 | 551.83 | 420.25 | 392.85 | 411.67 | 332.11 | 1034.75 | 1075.00 | 1145.71 | 851.50 | 600.00 | 846.50 | 2353.00 | 779.00 | 1221.00 | 1082.83 | 1105.25 | 926.36 | 982.00 | |
| malic acid | 244.44 | 237.33 | 277.52 | 321.33 | 278.33 | 180.00 | 215.00 | 146.00 | 149.17 | 256.25 | 201.15 | 254.67 | 226.39 | 206.75 | 161.50 | 234.29 | 207.50 | 386.00 | 365.00 | 37.00 | 114.00 | 118.00 | 91.67 | 187.50 | 155.36 | 186.29 | |
| malonic acid | 7124.00 | 1578.67 | 2632.52 | 1561.08 | 6800.00 | 537.00 | 1271.00 | 4954.00 | 1694.50 | 1213.00 | 3165.23 | 1615.00 | 1574.94 | 8193.88 | 1215.50 | 2816.00 | 1265.80 | 7032.00 | 686.50 | 1114.00 | 785.00 | 17198.00 | 3712.67 | 1094.00 | 3677.00 | 1141.86 | |
| maltose | 369.33 | 736.00 | 687.48 | 1235.00 | 99.67 | 682.00 | 1603.00 | 388.00 | 301.33 | 221.25 | 453.46 | 295.67 | 510.44 | 260.62 | 262.25 | 326.81 | 260.40 | 237.00 | 1379.50 | 187.00 | 468.00 | 74.00 | 247.33 | 167.25 | 159.71 | 150.86 | |
| maltotriose | 245.22 | 274.00 | 426.52 | 362.08 | 54.33 | 236.00 | 1383.00 | 246.00 | 132.33 | 88.00 | 313.85 | 104.22 | 206.78 | 112.25 | 112.50 | 137.90 | 92.90 | 54.00 | 112.00 | 69.00 | 170.00 | 38.00 | 92.67 | 98.50 | 79.64 | 81.86 | |
| mannitol | 5698.56 | 3413.67 | 7421.29 | 10931.33 | 3908.67 | 2673.00 | 1617.00 | 3791.00 | 9206.67 | 5172.50 | 15285.08 | 10303.11 | 9074.72 | 8669.38 | 2678.00 | 7175.76 | 5978.40 | 4156.00 | 25739.00 | 2133.00 | 4103.00 | 3555.00 | 7948.33 | 4450.75 | 14666.71 | 7898.71 | |
| methanolphosphate | 347.67 | 333.67 | 328.00 | 271.33 | 313.67 | 307.00 | 198.00 | 120.00 | 352.33 | 243.00 | 386.15 | 207.11 | 496.50 | 272.88 | 405.50 | 283.43 | 177.90 | 444.00 | 167.00 | 401.00 | 176.00 | 156.00 | 281.83 | 212.00 | 286.50 | 172.14 | |
| methionine | 1893.00 | 3095.33 | 2024.05 | 2400.33 | 2821.00 | 1565.00 | 3111.00 | 2339.00 | 1966.83 | 2051.25 | 2399.62 | 2648.67 | 2029.11 | 2158.12 | 2211.00 | 2150.19 | 2583.20 | 2182.00 | 1562.00 | 1133.00 | 3277.00 | 1687.00 | 1945.83 | 1887.00 | 2337.36 | 2615.00 | |
| methionine sulfoxide | 789.67 | 622.33 | 785.24 | 930.67 | 733.67 | 343.00 | 1111.00 | 412.00 | 798.67 | 707.25 | 730.00 | 639.56 | 904.56 | 528.62 | 760.50 | 779.62 | 892.70 | 252.00 | 966.50 | 476.00 | 263.00 | 231.00 | 886.33 | 909.75 | 783.79 | 752.29 | |
| methylhexadecanoic acid | 1526.67 | 1664.67 | 1540.81 | 1551.92 | 1227.67 | 1801.00 | 1166.00 | 1580.00 | 1299.17 | 1454.75 | 1383.46 | 1495.22 | 1909.89 | 1414.50 | 1576.50 | 1529.86 | 1471.60 | 1723.00 | 1156.00 | 1585.00 | 1078.00 | 1819.00 | 1859.33 | 1482.50 | 1491.07 | 1563.43 | |
| myristic acid | 1043.11 | 1022.67 | 1384.33 | 1085.00 | 1367.00 | 1128.00 | 975.00 | 1032.00 | 863.50 | 1177.50 | 1018.23 | 1123.67 | 1046.00 | 849.38 | 975.25 | 1268.76 | 994.20 | 1747.00 | 761.00 | 1062.00 | 898.00 | 965.00 | 1217.00 | 769.25 | 935.21 | 857.86 | |
| N-acetylglutamate | 394.56 | 484.67 | 381.81 | 340.08 | 318.67 | 397.00 | 354.00 | 180.00 | 326.67 | 275.50 | 350.08 | 293.44 | 325.28 | 362.62 | 311.50 | 353.57 | 260.20 | 277.00 | 169.00 | 533.00 | 299.00 | 343.00 | 354.00 | 328.75 | 324.21 | 346.14 | |
| N-acetylglycine NIST | 172.67 | 175.33 | 267.86 | 161.92 | 110.00 | 253.00 | 154.00 | 268.00 | 129.17 | 201.00 | 207.46 | 168.56 | 147.17 | 218.75 | 162.50 | 184.81 | 118.70 | 383.00 | 140.00 | 228.00 | 226.00 | 538.00 | 144.50 | 111.00 | 162.00 | 143.71 | |
| N-acetylmannosamine | 148.11 | 125.67 | 157.81 | 135.75 | 132.00 | 62.00 | 150.00 | 148.00 | 133.67 | 168.75 | 157.15 | 188.89 | 122.33 | 140.38 | 140.25 | 130.86 | 94.80 | 80.00 | 219.00 | 138.00 | 152.00 | 162.00 | 134.17 | 151.25 | 133.71 | 211.00 | |
| naproxen | 6304.33 | 29612.33 | 2654.33 | 599.67 | 209.00 | 102.00 | 78.00 | 45370.00 | 363.33 | 117.00 | 14740.46 | 4246.89 | 4509.83 | 6114.12 | 18005.25 | 2375.05 | 476.00 | 107.00 | 1048.00 | 103.00 | 108.00 | 52884.00 | 108.67 | 126.25 | 12006.21 | 5098.71 | |
| nicotinic acid | 882.89 | 297.00 | 658.52 | 709.00 | 1144.00 | 268.00 | 597.00 | 631.00 | 355.83 | 757.25 | 703.62 | 487.33 | 456.39 | 92.25 | 126.00 | 88.86 | 71.50 | 91.00 | 93.50 | 117.00 | 151.00 | 152.00 | 207.50 | 100.25 | 92.64 | 120.86 | |
| N-methylalanine | 6015.78 | 10034.00 | 8066.71 | 10296.25 | 8961.33 | 14856.00 | 10936.00 | 8394.00 | 5720.83 | 11003.00 | 7375.31 | 8941.44 | 6752.67 | 6413.62 | 7846.00 | 7123.19 | 8482.90 | 12144.00 | 4715.00 | 11736.00 | 10624.00 | 4975.00 | 5395.00 | 9696.75 | 7482.50 | 9352.43 | |
| octadecanol | 159.00 | 187.33 | 136.48 | 182.00 | 164.33 | 105.00 | 363.00 | 196.00 | 89.67 | 187.25 | 165.85 | 167.67 | 134.00 | 151.12 | 216.75 | 127.67 | 141.20 | 106.00 | 135.50 | 93.00 | 170.00 | 152.00 | 126.17 | 168.00 | 173.21 | 142.00 | |
| oleic acid | 3626.78 | 2500.67 | 4852.05 | 3630.00 | 4165.67 | 7601.00 | 2128.00 | 2069.00 | 2031.83 | 3328.00 | 2800.62 | 2614.33 | 4789.50 | 1870.75 | 2069.50 | 4054.81 | 3233.90 | 7736.00 | 2744.50 | 7500.00 | 1340.00 | 2392.00 | 1852.67 | 2371.50 | 1857.00 | 2386.29 | |
| ornithine | 17258.11 | 20538.67 | 22148.62 | 19440.17 | 25472.67 | 21746.00 | 22548.00 | 11905.00 | 20243.83 | 18403.75 | 18279.62 | 25324.22 | 15078.61 | 26568.88 | 20285.25 | 29165.81 | 24592.60 | 32833.00 | 21160.00 | 25715.00 | 30168.00 | 18601.00 | 22402.33 | 23650.75 | 25574.36 | 28184.43 | |
| oxalic acid | 316992.78 | 76815.67 | 216144.57 | 236921.17 | 276165.33 | 70605.00 | 165744.00 | 258203.00 | 120654.33 | 214581.75 | 209894.08 | 133313.44 | 170382.61 | 8104.00 | 8792.50 | 8387.76 | 8922.50 | 8233.00 | 11935.00 | 3886.00 | 11170.00 | 6489.00 | 48060.67 | 13008.75 | 12390.50 | 10842.86 | |
| oxoproline | 44761.89 | 57354.67 | 46611.76 | 47873.67 | 51965.67 | 47669.00 | 50143.00 | 35725.00 | 44637.83 | 38713.50 | 43596.62 | 39861.78 | 55756.78 | 58288.38 | 51349.25 | 53160.38 | 50292.20 | 58392.00 | 48234.50 | 52825.00 | 52565.00 | 48354.00 | 47074.83 | 50244.50 | 53548.64 | 46068.14 | |
| palmitic acid | 15992.56 | 16794.67 | 17524.33 | 15637.75 | 15600.00 | 20309.00 | 12055.00 | 13535.00 | 14430.67 | 15385.50 | 15138.77 | 12926.33 | 19277.50 | 10319.25 | 13646.75 | 12925.57 | 11192.00 | 18784.00 | 8787.00 | 19291.00 | 6051.00 | 13307.00 | 14098.50 | 9658.25 | 10649.29 | 9733.57 | |
| palmitoleic acid | 2396.22 | 1749.00 | 4170.29 | 1984.33 | 4521.00 | 3361.00 | 2328.00 | 1229.00 | 1221.83 | 1958.25 | 2122.62 | 1515.22 | 2657.94 | 1696.62 | 1459.75 | 3699.14 | 1936.60 | 10873.00 | 1623.50 | 3314.00 | 1639.00 | 1196.00 | 1113.67 | 1375.25 | 1665.43 | 1465.86 | |
| parabanic acid NIST | 931.67 | 266.00 | 690.67 | 803.67 | 848.33 | 223.00 | 468.00 | 980.00 | 448.67 | 709.00 | 718.31 | 478.67 | 455.17 | 265.50 | 242.25 | 251.14 | 159.00 | 262.00 | 226.50 | 222.00 | 244.00 | 317.00 | 372.83 | 307.75 | 261.57 | 220.43 | |
| paracetamol | 2068.00 | 3151.00 | 645.43 | 80.33 | 56.67 | 83.00 | 2229.00 | 823.00 | 70.17 | 95.25 | 507.62 | 411.33 | 491.72 | 3234.50 | 1779.25 | 816.48 | 106.80 | 79.00 | 49.00 | 62.00 | 2786.00 | 885.00 | 65.17 | 62.50 | 521.93 | 207.43 | |
| p-cresol | 568.44 | 1584.00 | 923.10 | 960.75 | 1009.67 | 206.00 | 547.00 | 680.00 | 820.00 | 863.50 | 975.85 | 1115.67 | 574.33 | 730.25 | 2907.25 | 1894.14 | 1427.10 | 1602.00 | 2850.00 | 536.00 | 880.00 | 163.00 | 1191.33 | 1258.50 | 2394.36 | 1139.57 | |
| pelargonic acid | 5734.11 | 4624.33 | 6371.90 | 6497.25 | 6456.67 | 1950.00 | 10005.00 | 7730.00 | 4374.83 | 8891.50 | 7145.08 | 6714.89 | 5899.89 | 6634.88 | 5321.75 | 6825.62 | 6537.70 | 6412.00 | 4397.50 | 2261.00 | 4458.00 | 5999.00 | 5542.33 | 7022.50 | 7771.43 | 6433.00 | |
| phenylalanine | 9724.67 | 12954.67 | 11535.71 | 12479.08 | 13743.67 | 8575.00 | 12811.00 | 10344.00 | 10319.17 | 10231.75 | 11430.92 | 11112.67 | 10488.00 | 13230.25 | 10955.00 | 13823.48 | 15801.10 | 12634.00 | 11897.00 | 9748.00 | 14196.00 | 13746.00 | 9957.17 | 10717.00 | 12353.07 | 12406.57 | |
| phenylethylamine | 280.67 | 557.00 | 413.52 | 328.42 | 176.00 | 352.00 | 492.00 | 304.00 | 389.00 | 412.50 | 313.38 | 308.11 | 209.11 | 371.88 | 646.00 | 413.67 | 416.20 | 85.00 | 282.00 | 413.00 | 399.00 | 776.00 | 389.17 | 510.50 | 375.36 | 497.71 | |
| phosphoethanolamine | 296.33 | 243.00 | 282.00 | 404.58 | 180.67 | 199.00 | 527.00 | 169.00 | 210.17 | 341.75 | 226.54 | 209.33 | 151.78 | 151.62 | 160.25 | 184.43 | 162.60 | 205.00 | 218.00 | 100.00 | 199.00 | 137.00 | 179.83 | 242.50 | 204.64 | 206.71 | |
| pipecolic acid | 296.22 | 651.33 | 344.90 | 203.17 | 155.00 | 183.00 | 743.00 | 272.00 | 342.50 | 315.75 | 271.08 | 389.33 | 212.00 | 1041.62 | 1292.75 | 957.71 | 618.10 | 450.00 | 376.00 | 293.00 | 1868.00 | 148.00 | 772.17 | 943.00 | 768.86 | 1489.29 | |
| proline | 29658.22 | 81960.67 | 43970.86 | 40946.17 | 42767.33 | 40636.00 | 48748.00 | 24637.00 | 56654.67 | 40064.50 | 44604.69 | 72746.33 | 37681.00 | 61723.25 | 68819.00 | 66947.00 | 60160.90 | 59142.00 | 61301.50 | 28973.00 | 68174.00 | 47988.00 | 69069.67 | 55132.00 | 69009.07 | 79874.43 | |
| pseudo uridine | 1103.78 | 1986.67 | 1353.86 | 1906.00 | 929.00 | 1117.00 | 1077.00 | 1343.00 | 1307.00 | 1095.75 | 1247.00 | 1415.78 | 1361.28 | 984.12 | 1260.00 | 1066.90 | 928.50 | 654.00 | 2892.00 | 1350.00 | 993.00 | 1313.00 | 1040.67 | 780.50 | 972.29 | 1037.43 | |
| pyrophosphate | 1800.00 | 1375.33 | 2527.48 | 2363.00 | 846.67 | 1779.00 | 6103.00 | 2340.00 | 700.00 | 1206.25 | 1474.08 | 1127.33 | 994.39 | 623.88 | 1103.75 | 768.52 | 593.00 | 528.00 | 871.00 | 1241.00 | 799.00 | 630.00 | 408.33 | 799.75 | 691.86 | 830.86 | |
| pyruvic acid | 4668.00 | 3768.00 | 4375.35 | 4496.00 | 4958.33 | 2721.00 | 4831.00 | 2658.00 | 4284.67 | 3759.50 | 3769.92 | 3823.44 | 2755.44 | 1579.00 | 987.25 | 1694.05 | 1321.50 | 1097.00 | 1363.50 | 778.00 | 2386.00 | - | 2490.33 | 1594.25 | 2034.54 | 1654.29 | |
| quinic acid | 459.11 | 951.67 | 554.10 | 696.92 | 345.33 | 123.00 | 690.00 | 689.00 | 415.50 | 1341.50 | 800.62 | 444.11 | 585.83 | 485.88 | 694.50 | 468.00 | 663.90 | 261.00 | 460.50 | 136.00 | 633.00 | 920.00 | 423.50 | 1221.50 | 731.21 | 335.86 | |
| ribitol | 244.11 | 393.00 | 368.00 | 763.42 | 161.67 | 180.00 | 302.00 | 327.00 | 272.67 | 318.25 | 452.15 | 555.67 | 275.61 | 239.00 | 313.50 | 266.62 | 304.80 | 344.00 | 1683.50 | 120.00 | 287.00 | 857.00 | 271.00 | 229.50 | 454.43 | 513.57 | |
| saccharic acid | 91.11 | 267.00 | 115.19 | 171.42 | 61.67 | 71.00 | 94.00 | 111.00 | 216.83 | 97.00 | 112.85 | 132.22 | 125.11 | 69.38 | 100.00 | 88.67 | 64.50 | 54.00 | 345.00 | 35.00 | 70.00 | 84.00 | 161.00 | 68.00 | 102.93 | 79.00 | |
| salicylaldehyde | 162.78 | 126.67 | 125.43 | 167.42 | 176.00 | 151.00 | 91.00 | 171.00 | 83.67 | 233.75 | 151.08 | 208.33 | 997.06 | 144.00 | 102.25 | 112.05 | 144.00 | 137.00 | 95.50 | 67.00 | 151.00 | 142.00 | 305.17 | 195.75 | 132.71 | 131.86 | |
| salicylic acid | 1050.11 | 14646.00 | 2222.67 | 9507.17 | 5403.67 | 80.00 | 115.00 | 505.00 | 847.50 | 216.25 | 889.31 | 2910.89 | 2577.89 | 1701.25 | 8287.25 | 3535.19 | 1500.50 | 84.00 | 20231.00 | 55.00 | 46.00 | 454.00 | 824.33 | 168.25 | 787.93 | 164.43 | |
| serine | 14183.11 | 16072.33 | 16597.14 | 18829.50 | 20074.00 | 10536.00 | 19502.00 | 11464.00 | 15959.67 | 16862.75 | 16614.38 | 16337.89 | 14235.56 | 20771.12 | 16049.25 | 21850.14 | 22226.40 | 26701.00 | 19006.50 | 14337.00 | 23754.00 | 15614.00 | 17665.00 | 19555.00 | 18939.36 | 18008.00 | |
| shikimic acid | 581.78 | 367.33 | 527.33 | 366.58 | 291.00 | 131.00 | 146.00 | 297.00 | 452.67 | 241.50 | 857.92 | 692.56 | 303.28 | 1900.00 | 1245.75 | 1606.29 | 1511.50 | 1229.00 | 638.50 | 2338.00 | 1276.00 | 2712.00 | 1316.17 | 1493.50 | 1532.43 | 1070.29 | |
| sorbitol | 486.33 | 425.67 | 478.48 | 471.17 | 432.67 | 541.00 | 410.00 | 264.00 | 557.67 | 664.25 | 581.92 | 419.44 | 384.00 | 521.62 | 273.75 | 506.10 | 408.30 | 246.00 | 848.50 | 252.00 | 457.00 | 454.00 | 431.67 | 684.25 | 500.36 | 355.86 | |
| stearic acid | 88761.56 | 100479.00 | 89651.00 | 82593.00 | 64163.00 | 112996.00 | 61751.00 | 101854.00 | 86826.83 | 82970.25 | 81414.00 | 79831.78 | 101833.78 | 66139.12 | 86871.75 | 73182.43 | 68480.80 | 61049.00 | 58090.00 | 94165.00 | 45127.00 | 98271.00 | 89275.17 | 66563.25 | 75434.36 | 66448.71 | |
| stigmasterol | 87.44 | 117.33 | 89.38 | 78.00 | 38.33 | 39.00 | 66.00 | 71.00 | 85.83 | 67.50 | 74.23 | 67.00 | 67.72 | 58.00 | 92.75 | 56.90 | 52.30 | 57.00 | 68.00 | 34.00 | 50.00 | 49.00 | 103.33 | 79.00 | 75.79 | 67.71 | |
| succinic acid | 227.11 | 196.33 | 261.71 | 328.42 | 252.67 | 180.00 | 223.00 | 184.00 | 211.17 | 256.50 | 225.08 | 231.11 | 330.67 | 254.62 | 229.50 | 310.86 | 310.70 | 324.00 | 360.50 | 199.00 | 219.00 | 243.00 | 214.67 | 263.50 | 319.50 | 284.14 | |
| sucrose | 205.78 | 255.00 | 136.90 | 770.75 | 94.00 | 111.00 | 64.00 | 72.00 | 231.17 | 114.50 | 240.23 | 163.11 | 166.83 | 162.12 | 165.75 | 137.52 | 272.30 | 30.00 | 2679.50 | 126.00 | 54.00 | 55.00 | 149.67 | 81.75 | 216.21 | 141.86 | |
| tagatose | 400.33 | 686.33 | 395.48 | 626.83 | 245.00 | 330.00 | 653.00 | 446.00 | 531.00 | 488.00 | 455.77 | 427.44 | 761.22 | 362.62 | 557.00 | 345.00 | 426.70 | 350.00 | 820.00 | 350.00 | 380.00 | 183.00 | 447.67 | 437.00 | 437.86 | 441.71 | |
| taurine | 836.11 | 2432.67 | 2100.05 | 1736.58 | 797.67 | 4410.00 | 2947.00 | 2992.00 | 2498.17 | 773.75 | 1703.77 | 1366.22 | 1215.56 | 3332.50 | 2666.50 | 4324.86 | 4024.00 | 3460.00 | 4956.00 | 5995.00 | 5486.00 | 4991.00 | 3608.50 | 3122.50 | 3186.43 | 3489.29 | |
| threitol | 268.00 | 358.00 | 331.76 | 500.92 | 247.33 | 155.00 | 239.00 | 300.00 | 341.00 | 273.25 | 393.77 | 349.89 | 277.94 | 248.25 | 219.50 | 303.48 | 281.00 | 382.00 | 966.00 | 125.00 | 229.00 | 247.00 | 364.17 | 204.00 | 387.71 | 313.29 | |
| threonic acid | 1017.67 | 756.33 | 1040.76 | 1174.08 | 1024.67 | 730.00 | 2129.00 | 681.00 | 867.33 | 1057.00 | 1411.38 | 1320.44 | 1225.28 | 1922.50 | 1077.50 | 1702.43 | 1686.40 | 2991.00 | 2423.00 | 861.00 | 3837.00 | 1151.00 | 1040.00 | 1819.75 | 2354.64 | 2724.29 | |
| threonine | 16859.11 | 19400.33 | 17692.48 | 19107.33 | 17870.33 | 12978.00 | 18971.00 | 15927.00 | 19922.50 | 17394.00 | 18962.08 | 20693.00 | 16245.00 | 19129.88 | 14907.75 | 18211.38 | 18566.60 | 19695.00 | 12227.50 | 12257.00 | 17681.00 | 14273.00 | 19814.17 | 16876.25 | 19083.50 | 18977.00 | |
| tocopherol alpha | 1715.33 | 1890.67 | 1922.00 | 1610.92 | 406.67 | 2970.00 | 1548.00 | 609.00 | 2452.33 | 1337.75 | 1364.85 | 1007.67 | 4539.22 | 1678.12 | 1595.25 | 1441.57 | 944.30 | 590.00 | 714.00 | 3058.00 | 766.00 | 41.00 | 1817.17 | 1451.75 | 993.57 | 957.29 | |
| trans-4-hydroxyproline | 659.67 | 1180.67 | 783.90 | 881.08 | 385.33 | 1455.00 | 373.00 | 257.00 | 752.67 | 921.50 | 744.46 | 1241.56 | 506.67 | 665.00 | 1006.75 | 769.57 | 714.10 | 550.00 | 922.50 | 1271.00 | 365.00 | 303.00 | 618.00 | 746.00 | 875.93 | 1150.00 | |
| trihydroxypyrazine NIST | 140.56 | 109.00 | 113.24 | 123.75 | 127.33 | 72.00 | 96.00 | 219.00 | 85.67 | 131.50 | 107.46 | 93.78 | 109.11 | 66.88 | 67.25 | 59.81 | 44.90 | 47.00 | 70.00 | 58.00 | 53.00 | 88.00 | 91.83 | 55.25 | 57.36 | 69.57 | |
| tryptophan | 11096.67 | 25255.00 | 19236.43 | 20134.67 | 18641.00 | 20152.00 | 29030.00 | 15511.00 | 26321.83 | 27709.50 | 24281.15 | 26198.89 | 17992.17 | 29182.75 | 24020.75 | 27309.43 | 29418.20 | 12125.00 | 13643.50 | 20629.00 | 39182.00 | 20524.00 | 25993.50 | 32870.50 | 29587.57 | 32532.00 | |
| tyrosine | 22989.89 | 35824.67 | 26820.81 | 27726.25 | 33910.33 | 20707.00 | 24969.00 | 24756.00 | 28649.83 | 28225.50 | 29060.31 | 29769.78 | 24028.78 | 28963.75 | 26661.75 | 26281.00 | 27562.10 | 20972.00 | 15549.50 | 15857.00 | 28253.00 | 29260.00 | 23421.00 | 25004.50 | 28685.43 | 28555.14 | |
| urea | 168923.22 | 98554.00 | 166793.48 | 126094.08 | 157482.00 | 296819.00 | 221364.00 | 353575.00 | 198061.00 | 107473.75 | 233035.23 | 228064.11 | 181231.44 | 137475.00 | 240956.50 | 154948.14 | 200348.60 | 180948.00 | 221311.00 | 202246.00 | 169409.00 | 302191.00 | 113319.33 | 152784.50 | 161958.71 | 129540.86 | |
| uric acid | 12300.11 | 36618.67 | 14871.86 | 16472.00 | 7713.33 | 23865.00 | 8494.00 | 17165.00 | 18511.83 | 17910.75 | 19569.00 | 19456.00 | 20216.78 | 11698.38 | 24778.50 | 14421.86 | 14206.90 | 10940.00 | 8058.00 | 27699.00 | 9265.00 | 19579.00 | 16713.83 | 14381.00 | 13544.36 | 14990.43 | |
| uridine | 127.56 | 188.67 | 150.52 | 141.42 | 80.33 | 170.00 | 221.00 | 204.00 | 164.17 | 197.75 | 137.85 | 139.44 | 109.00 | 91.00 | 68.25 | 108.43 | 102.10 | 50.00 | 161.50 | 123.00 | 134.00 | 108.00 | 83.17 | 101.00 | 105.21 | 88.43 | |
| valine | 71736.00 | 86494.00 | 78629.52 | 82152.83 | 91177.00 | 77743.00 | 90443.00 | 92216.00 | 81052.50 | 89103.25 | 80230.31 | 90885.00 | 68771.61 | 75256.88 | 74584.00 | 74982.67 | 78549.10 | 74834.00 | 54365.50 | 64542.00 | 92795.00 | 87330.00 | 77934.33 | 80402.00 | 82886.50 | 90145.71 | |
| xanthine | 71.00 | 82.00 | 93.57 | 76.42 | 47.33 | 65.00 | 113.00 | 166.00 | 55.17 | 83.75 | 74.38 | 74.22 | 70.94 | 121.50 | 118.00 | 168.19 | 140.80 | 154.00 | 146.50 | 223.00 | 122.00 | 115.00 | 109.33 | 115.25 | 109.93 | 121.71 | |
| xylitol | 180.11 | 391.67 | 685.62 | 293.92 | 206.33 | 985.00 | 195.00 | 233.00 | 326.83 | 512.75 | 297.08 | 286.00 | 307.22 | 206.25 | 318.25 | 754.24 | 238.00 | 225.00 | 343.50 | 914.00 | 145.00 | 90.00 | 234.67 | 478.50 | 331.64 | 247.57 | |
| xylose | 171.67 | 212.67 | 230.10 | 573.42 | 350.00 | 190.00 | 122.00 | 120.00 | 180.83 | 198.50 | 556.77 | 320.22 | 193.61 | 167.00 | 102.25 | 230.19 | 141.20 | 646.00 | 142.00 | 99.00 | 125.00 | 165.00 | 388.67 | 271.50 | 554.50 | 283.57 |
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:Adenocarcnoma | Smoker:Former | Gender:F |
| F6 | Organ:Plasma | Cancer status:Adenosquamous | Smoker:Current | Gender:F |
| F7 | Organ:Plasma | Cancer status:Adenosquamous | Smoker:Current | Gender:M |
| F8 | Organ:Plasma | Cancer status:Adenosquamous | Smoker:Former | Gender:M |
| F9 | Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:F |
| F10 | Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:M |
| F11 | Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:F |
| F12 | Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:M |
| F13 | Organ:Plasma | Cancer status:NA | Smoker:NA | Gender:NA |
| F14 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:F |
| F15 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:M |
| F16 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:F |
| F17 | Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:M |
| F18 | Organ:Serum | Cancer status:Adenocarcnoma | Smoker:Former | Gender:F |
| F19 | Organ:Serum | Cancer status:Adenocarcnoma | Smoker:Former | Gender:M |
| F20 | Organ:Serum | Cancer status:Adenosquamous | Smoker:Current | Gender:F |
| F21 | Organ:Serum | Cancer status:Adenosquamous | Smoker:Current | Gender:M |
| F22 | Organ:Serum | Cancer status:Adenosquamous | Smoker:Former | Gender:M |
| F23 | Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:F |
| F24 | Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:M |
| F25 | Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:F |
| F26 | Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:M |
