Data for ST000396
| 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 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 | F52 | F53 | F54 | F55 | F56 | F57 | F58 | F59 | F60 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,2,4-benzenetriol | 215.50 | 199.00 | 131.93 | 189.25 | 210.50 | 114.00 | 126.75 | 65.00 | 245.00 | 176.43 | 113.50 | 230.67 | 148.25 | 386.00 | 144.00 | 114.80 | 102.00 | 157.00 | 155.50 | 149.44 | 214.60 | 310.00 | 208.50 | 160.11 | 94.00 | 107.00 | 159.60 | 153.17 | 113.00 | 149.00 | 85.00 | 202.00 | 130.50 | 153.12 | 174.83 | 196.44 | 90.50 | 164.62 | 96.60 | 159.50 | 162.00 | 136.00 | 118.00 | 153.60 | 116.00 | 107.00 | 239.00 | 131.24 | 195.67 | 148.00 | 162.80 | 153.33 | 84.00 | 195.75 | 171.50 | 214.50 | 113.00 | 154.25 | 303.00 | 97.00 | |
| 1,5-anhydroglucitol | 16431.50 | 24869.00 | 13592.79 | 17680.75 | 12649.00 | 16812.00 | 14954.25 | 19292.00 | 22247.00 | 18415.64 | 25360.50 | 12424.67 | 11757.00 | 25598.00 | 21141.00 | 16233.60 | 15183.50 | 18641.00 | 16482.50 | 16317.44 | 25326.00 | 19900.00 | 7113.00 | 17149.78 | 14348.50 | 14986.00 | 17948.60 | 15397.00 | 17915.00 | 24416.00 | 16647.00 | 15607.75 | 13037.50 | 16014.06 | 16065.17 | 17981.78 | 18116.50 | 16471.50 | 18212.20 | 20414.00 | 21531.00 | 17597.00 | 18459.00 | 14556.80 | 9815.67 | 16188.00 | 29787.00 | 17601.48 | 19560.00 | 20287.00 | 20080.20 | 14707.28 | 29893.00 | 20096.50 | 14061.50 | 21104.00 | 16081.00 | 24183.00 | 11883.00 | 6544.00 | |
| 2,3-dihydroxybutanoic acid NIST | 149.00 | 173.00 | 126.71 | 148.00 | 162.00 | 197.00 | 96.50 | 257.00 | 159.00 | 142.79 | 130.00 | 172.33 | 178.00 | 154.00 | 190.00 | 165.40 | 159.50 | 133.00 | 173.00 | 158.88 | 141.20 | 194.00 | 160.00 | 129.44 | 147.00 | 217.00 | 132.60 | 135.00 | 136.00 | 74.00 | 134.00 | 135.00 | 245.00 | 160.26 | 147.83 | 125.33 | 159.00 | 142.06 | 142.20 | 70.50 | 153.00 | 166.50 | 194.00 | 137.60 | 133.33 | 161.00 | 155.00 | 154.38 | 87.67 | 145.33 | 142.40 | 144.39 | 171.00 | 173.50 | 176.25 | 169.50 | 162.00 | 214.00 | 277.00 | 224.00 | |
| 2-deoxyerythritol | 389.00 | 333.00 | 1142.36 | 353.25 | 594.50 | 306.00 | 678.50 | 398.00 | 7925.00 | 474.07 | 2991.25 | 387.67 | 492.75 | 449.00 | 569.00 | 491.40 | 588.00 | 408.00 | 416.00 | 1202.81 | 660.20 | 421.00 | 409.00 | 943.44 | 436.50 | 437.50 | 631.60 | 3041.17 | 431.00 | 7713.00 | 423.00 | 424.50 | 5098.00 | 1657.65 | 426.33 | 1230.11 | 512.00 | 2098.69 | 446.40 | 8613.50 | 491.00 | 472.50 | 571.00 | 1249.00 | 495.00 | 421.00 | 476.00 | 1670.29 | 2918.67 | 607.33 | 471.40 | 909.83 | 582.00 | 583.50 | 948.50 | 587.00 | 610.00 | 579.00 | 1277.00 | 525.00 | |
| 2-deoxytetronic acid | 265.50 | 318.00 | 262.79 | 247.50 | 241.00 | 204.00 | 289.00 | 256.00 | 492.00 | 304.21 | 323.25 | 419.00 | 318.00 | 210.00 | 474.00 | 308.50 | 243.00 | 237.00 | 338.00 | 370.81 | 374.60 | 221.00 | 438.50 | 289.56 | 236.00 | 383.50 | 281.80 | 330.50 | 268.00 | 331.00 | 286.00 | 311.25 | 349.00 | 322.79 | 344.83 | 338.00 | 480.50 | 294.25 | 271.80 | 327.00 | 336.00 | 297.00 | 387.00 | 275.10 | 430.33 | 385.00 | 305.00 | 325.00 | 315.00 | 367.67 | 327.80 | 336.33 | 359.00 | 348.50 | 399.75 | 356.00 | 588.00 | 435.75 | 361.00 | 301.00 | |
| 2-hydroxybutanoic acid | 42731.50 | 19112.00 | 14981.93 | 14424.25 | 8173.50 | 7242.00 | 9875.25 | 4132.00 | 15932.00 | 15807.50 | 12810.75 | 19209.33 | 25975.75 | 18566.00 | 39381.00 | 16063.10 | 15555.50 | 4582.00 | 12405.00 | 20101.75 | 14090.80 | 24104.00 | 12568.50 | 17779.06 | 20157.50 | 10070.00 | 11739.80 | 11273.33 | 11520.00 | 23657.00 | 26509.00 | 15473.50 | 23549.50 | 16309.26 | 13474.83 | 23715.56 | 30016.00 | 18197.12 | 13731.40 | 12111.50 | 6029.00 | 14604.00 | 18130.00 | 13616.10 | 31267.00 | 46539.00 | 17776.00 | 14615.76 | 6149.33 | 14019.67 | 19040.80 | 17298.89 | 24960.00 | 17579.75 | 18215.25 | 16373.50 | 8527.00 | 25486.25 | 7198.00 | 11360.00 | |
| 2-hydroxyhippuric acid | 97.00 | 89.00 | 132.93 | 98.50 | 91.00 | 69.00 | 107.25 | 102.00 | 129.00 | 118.43 | 137.25 | 97.00 | 111.00 | 76.00 | 160.00 | 130.50 | 104.50 | 197.00 | 131.50 | 125.62 | 147.00 | 98.00 | 82.50 | 104.39 | 84.00 | 94.00 | 97.40 | 107.83 | 70.00 | 65.00 | 111.00 | 122.00 | 101.00 | 135.94 | 134.17 | 94.89 | 86.00 | 124.69 | 174.40 | 70.50 | 147.00 | 86.50 | 105.00 | 84.50 | 108.33 | 121.00 | 57.00 | 121.48 | 148.33 | 136.00 | 203.80 | 137.28 | 140.00 | 106.50 | 104.75 | 114.50 | 120.00 | 124.25 | 341.00 | 105.00 | |
| 2-hydroxyvaleric acid | 4059.50 | 816.00 | 1280.93 | 1892.00 | 734.00 | 836.00 | 797.50 | 393.00 | 1142.00 | 1503.57 | 2942.50 | 1194.67 | 1922.75 | 1145.00 | 2466.00 | 3050.60 | 3959.00 | 940.00 | 682.00 | 3121.62 | 2272.60 | 974.00 | 1588.00 | 1569.94 | 912.50 | 1111.50 | 3015.20 | 1867.00 | 4053.00 | 1150.00 | 5967.00 | 1088.25 | 1815.00 | 1516.44 | 2284.50 | 2431.78 | 4787.00 | 1969.81 | 5536.00 | 965.00 | 897.00 | 505.00 | 2607.00 | 949.00 | 5238.33 | 1113.00 | 1069.00 | 2063.24 | 851.67 | 844.00 | 2783.20 | 2361.50 | 8746.00 | 1317.50 | 1283.50 | 1547.50 | 1509.00 | 1639.00 | 1154.00 | 2055.00 | |
| 2-ketoisocaproic acid | 5130.00 | 2569.00 | 2566.21 | 2847.00 | 1257.00 | 2054.00 | 1669.50 | 1746.00 | 2456.00 | 2855.29 | 2982.50 | 3532.33 | 4071.50 | 3051.00 | 6663.00 | 2989.90 | 2842.00 | 642.00 | 2008.50 | 3852.88 | 2934.20 | 4933.00 | 2155.00 | 3017.06 | 3476.00 | 3233.50 | 2723.60 | 2397.00 | 1575.00 | 3559.00 | 4791.00 | 2053.75 | 2261.00 | 2730.00 | 3156.33 | 3560.33 | 3971.00 | 3530.88 | 2603.80 | 2852.50 | 2151.00 | 2240.00 | 2305.00 | 2370.50 | 4472.00 | 4743.00 | 2793.00 | 2985.00 | 1758.67 | 1958.00 | 3170.20 | 2644.39 | 4970.00 | 2374.50 | 2954.75 | 3115.00 | 2581.00 | 3981.75 | 2470.00 | 1636.00 | |
| 3-aminoisobutyric acid | 122.50 | 140.00 | 111.79 | 84.25 | 89.50 | 113.00 | 102.25 | 84.00 | 161.00 | 146.50 | 121.50 | 119.33 | 134.75 | 157.00 | 95.00 | 165.50 | 114.00 | 124.00 | 142.50 | 124.50 | 171.80 | 134.00 | 114.00 | 112.33 | 130.50 | 109.50 | 107.80 | 97.50 | 82.00 | 77.00 | 83.00 | 104.00 | 140.50 | 122.62 | 116.33 | 131.67 | 88.00 | 111.12 | 83.00 | 77.50 | 181.00 | 112.00 | 100.00 | 111.50 | 96.67 | 136.00 | 124.00 | 122.52 | 127.67 | 104.00 | 135.00 | 120.44 | 104.00 | 102.25 | 136.50 | 89.50 | 110.00 | 114.00 | 225.00 | 162.00 | |
| 3-hydroxybutanoic acid | 6834.00 | 4152.00 | 6690.14 | 2668.50 | 1111.00 | 4693.00 | 1751.50 | 904.00 | 2072.00 | 7997.00 | 6091.75 | 4616.33 | 13045.50 | 1569.00 | 6636.00 | 3057.40 | 3493.50 | 839.00 | 1863.50 | 6662.38 | 5404.00 | 6165.00 | 5501.00 | 9713.11 | 3961.00 | 2017.50 | 1555.80 | 3396.67 | 2656.00 | 31573.00 | 10939.00 | 1550.25 | 10969.00 | 7631.29 | 11350.67 | 11156.67 | 3992.00 | 5431.50 | 7493.40 | 3497.00 | 1292.00 | 8036.00 | 1843.00 | 2250.90 | 6086.33 | 5699.00 | 2287.00 | 4625.33 | 1698.33 | 1429.67 | 7294.00 | 6282.39 | 19744.00 | 5177.75 | 7336.75 | 4927.50 | 3543.00 | 6499.00 | 2407.00 | 7674.00 | |
| 3-hydroxypropionic acid | 631.00 | 603.00 | 550.50 | 586.75 | 542.00 | 424.00 | 492.25 | 527.00 | 861.00 | 497.29 | 636.00 | 641.67 | 697.00 | 514.00 | 1663.00 | 618.40 | 582.00 | 600.00 | 498.00 | 755.31 | 549.00 | 478.00 | 525.00 | 548.67 | 617.50 | 710.50 | 592.80 | 669.00 | 676.00 | 735.00 | 522.00 | 536.00 | 782.00 | 625.09 | 582.33 | 648.67 | 837.00 | 637.69 | 570.20 | 746.00 | 625.00 | 604.50 | 846.00 | 576.00 | 707.67 | 698.00 | 392.00 | 656.10 | 496.67 | 612.33 | 527.60 | 553.78 | 639.00 | 624.25 | 670.25 | 627.00 | 1169.00 | 792.25 | 505.00 | 486.00 | |
| 4-hydroxyproline | 5023.50 | 2536.00 | 1573.07 | 1452.00 | 1609.00 | 1128.00 | 1195.00 | 1380.00 | 1070.00 | 1923.64 | 1703.25 | 1836.67 | 1765.00 | 1387.00 | 5486.00 | 1902.40 | 1104.00 | 3492.00 | 1336.50 | 2165.12 | 2389.20 | 3036.00 | 1345.00 | 1906.94 | 1224.50 | 2015.00 | 1319.00 | 1484.33 | 2144.00 | 2209.00 | 2928.00 | 2807.75 | 1492.50 | 2247.91 | 1771.83 | 1350.44 | 1441.50 | 1673.69 | 2043.40 | 2912.00 | 2110.00 | 1130.00 | 1618.00 | 1471.90 | 1764.67 | 1793.00 | 2917.00 | 2166.52 | 2484.33 | 1612.33 | 1457.00 | 1854.94 | 2398.00 | 1752.25 | 2528.50 | 1890.50 | 1750.00 | 2230.75 | 3037.00 | 1727.00 | |
| 5-hydroxymethyl-2-furoic acid NIST | 135.00 | 116.00 | 177.93 | 179.50 | 163.00 | 121.00 | 226.00 | 174.00 | 265.00 | 169.71 | 169.00 | 96.67 | 207.75 | 164.00 | 231.00 | 188.70 | 151.50 | 217.00 | 150.50 | 196.75 | 237.40 | 133.00 | 162.00 | 176.22 | 120.00 | 546.50 | 298.80 | 207.17 | 206.00 | 151.00 | 185.00 | 216.50 | 212.50 | 200.15 | 1346.33 | 179.33 | 271.50 | 184.06 | 156.00 | 152.50 | 242.00 | 179.50 | 165.00 | 161.40 | 181.67 | 143.00 | 200.00 | 223.52 | 201.33 | 261.00 | 198.60 | 266.83 | 163.00 | 202.25 | 136.00 | 330.50 | 299.00 | 197.50 | 207.00 | 128.00 | |
| 5-methoxytryptamine | 256.50 | 89.00 | 323.86 | 367.50 | 409.00 | 78.00 | 516.75 | 115.00 | 414.00 | 281.43 | 217.00 | 385.33 | 130.25 | 511.00 | 171.00 | 307.10 | 328.50 | 573.00 | 481.50 | 324.56 | 406.20 | 859.00 | 261.00 | 319.56 | 117.50 | 101.50 | 196.40 | 360.50 | 102.00 | 877.00 | 147.00 | 179.25 | 289.00 | 271.09 | 252.67 | 476.89 | 409.00 | 362.56 | 150.20 | 463.00 | 559.00 | 210.50 | 212.00 | 244.80 | 256.00 | 150.00 | 600.00 | 320.33 | 290.67 | 404.33 | 264.40 | 313.94 | 105.00 | 319.50 | 316.75 | 792.50 | 85.00 | 465.50 | 122.00 | 131.00 | |
| acetophenone NIST | 1402.50 | 691.00 | 1669.43 | 1107.50 | 1285.50 | 822.00 | 1543.75 | 459.00 | 1978.00 | 1185.07 | 1137.25 | 1105.33 | 704.75 | 2046.00 | 373.00 | 1019.00 | 1096.50 | 874.00 | 740.00 | 1978.69 | 1840.20 | 2003.00 | 1111.00 | 922.78 | 820.00 | 440.50 | 718.60 | 1032.50 | 294.00 | 938.00 | 2626.00 | 1288.75 | 690.00 | 1038.24 | 1038.33 | 1909.22 | 415.00 | 927.81 | 1163.00 | 859.50 | 905.00 | 1012.00 | 3139.00 | 1315.90 | 609.67 | 820.00 | 1792.00 | 1300.90 | 888.33 | 974.67 | 1095.20 | 1461.56 | 440.00 | 1582.00 | 928.50 | 1738.00 | 487.00 | 1404.25 | 974.00 | 595.00 | |
| adipic acid | 504.50 | 416.00 | 469.36 | 403.75 | 500.50 | 352.00 | 186.00 | 117.00 | 785.00 | 368.14 | 437.50 | 417.33 | 472.25 | 424.00 | 581.00 | 487.30 | 331.50 | 313.00 | 437.50 | 378.19 | 425.20 | 432.00 | 396.50 | 1288.78 | 435.00 | 342.00 | 446.80 | 522.00 | 524.00 | 613.00 | 517.00 | 412.00 | 317.50 | 403.91 | 432.33 | 414.22 | 559.00 | 368.12 | 300.80 | 605.50 | 453.00 | 345.00 | 560.00 | 400.20 | 379.00 | 344.00 | 391.00 | 383.48 | 563.33 | 229.67 | 421.40 | 400.28 | 620.00 | 486.00 | 519.50 | 359.00 | 610.00 | 474.00 | 359.00 | 495.00 | |
| alanine | 202007.50 | 160164.00 | 190038.71 | 278201.50 | 174374.50 | 121387.00 | 194377.50 | 187836.00 | 333130.00 | 192122.93 | 164407.50 | 237224.00 | 218598.50 | 313243.00 | 257129.00 | 232104.50 | 178151.50 | 146453.00 | 166497.00 | 222871.44 | 185608.80 | 314929.00 | 187672.00 | 211610.56 | 187894.00 | 224859.50 | 204547.40 | 241784.83 | 138897.00 | 153887.00 | 193732.00 | 219872.00 | 215460.50 | 210109.15 | 201390.50 | 209331.56 | 183266.00 | 219212.62 | 141894.20 | 215865.50 | 272929.00 | 250335.00 | 341958.00 | 214634.40 | 269730.00 | 211743.00 | 309338.00 | 232413.05 | 206824.00 | 202653.00 | 232033.80 | 213884.83 | 215166.00 | 253103.25 | 261337.00 | 252095.50 | 297790.00 | 244271.50 | 142166.00 | 238296.00 | |
| aminomalonic acid | 3742.00 | 164.00 | 1040.07 | 1759.75 | 255.50 | 166.00 | 219.75 | 625.00 | 424.00 | 1450.21 | 4524.50 | 416.33 | 5041.75 | 452.00 | 11777.00 | 5547.40 | 3923.50 | 454.00 | 200.50 | 2381.75 | 1642.60 | 349.00 | 423.00 | 1957.94 | 256.50 | 1234.00 | 2616.20 | 1155.00 | 5346.00 | 438.00 | 10340.00 | 237.75 | 919.50 | 1173.29 | 1334.50 | 1843.00 | 4806.50 | 1688.75 | 3291.00 | 385.50 | 1395.00 | 6555.50 | 9824.00 | 1526.80 | 1522.33 | 234.00 | 183.00 | 2167.71 | 382.33 | 278.00 | 1544.80 | 1750.28 | 10370.00 | 2991.25 | 1035.75 | 310.00 | 7801.00 | 3166.75 | 282.00 | 10657.00 | |
| arachidonic acid isomer | 715.50 | 744.00 | 602.64 | 875.00 | 658.50 | 418.00 | 432.00 | 516.00 | 747.00 | 826.71 | 621.75 | 452.00 | 899.75 | 881.00 | 540.00 | 879.80 | 832.00 | 408.00 | 672.50 | 691.06 | 821.40 | 335.00 | 526.50 | 608.50 | 990.50 | 611.00 | 562.20 | 552.83 | 624.00 | 522.00 | 896.00 | 709.50 | 751.50 | 657.03 | 726.17 | 658.67 | 733.50 | 626.69 | 682.60 | 395.00 | 609.00 | 567.50 | 850.00 | 656.10 | 901.33 | 701.00 | 718.00 | 563.67 | 619.33 | 952.00 | 659.40 | 627.56 | 853.00 | 758.25 | 713.25 | 513.50 | 520.00 | 583.50 | 790.00 | 647.00 | |
| asparagine | 3458.50 | 3704.00 | 3109.00 | 4363.50 | 3394.00 | 1951.00 | 2811.25 | 4067.00 | 3580.00 | 3407.21 | 2776.25 | 4134.00 | 3732.50 | 3794.00 | 3900.00 | 3282.90 | 2647.50 | 3418.00 | 2476.50 | 3674.44 | 3754.40 | 5260.00 | 4231.00 | 3058.83 | 2317.50 | 3245.50 | 2740.20 | 3516.33 | 3543.00 | 3101.00 | 4294.00 | 4108.00 | 3881.00 | 3608.00 | 3247.67 | 3577.11 | 3354.50 | 3375.38 | 2827.00 | 3273.00 | 3758.00 | 3531.00 | 3394.00 | 3135.00 | 3572.33 | 2202.00 | 3429.00 | 3228.00 | 2946.33 | 3543.33 | 3203.40 | 3273.11 | 3699.00 | 3775.25 | 3709.50 | 3735.50 | 3011.00 | 3966.75 | 3933.00 | 3619.00 | |
| aspartic acid | 6108.00 | 5302.00 | 3997.21 | 5684.50 | 4620.00 | 7017.00 | 2965.25 | 3639.00 | 5742.00 | 4830.50 | 4609.25 | 5511.33 | 6495.00 | 3885.00 | 2734.00 | 4392.80 | 5395.50 | 3894.00 | 4861.00 | 4635.69 | 4530.80 | 8098.00 | 10581.00 | 4328.89 | 4390.50 | 4104.50 | 4824.20 | 4922.33 | 3220.00 | 9673.00 | 4454.00 | 3882.25 | 4318.00 | 5044.76 | 4169.33 | 6178.67 | 6239.00 | 4067.12 | 3613.20 | 3086.00 | 4153.00 | 3238.00 | 4596.00 | 4260.30 | 4995.67 | 4725.00 | 5195.00 | 3746.81 | 5252.00 | 8427.67 | 3187.80 | 3968.44 | 4291.00 | 4322.25 | 3413.75 | 2919.00 | 5945.00 | 4838.25 | 5253.00 | 3405.00 | |
| benzoic acid | 7164.50 | 6645.00 | 6777.00 | 7909.50 | 6893.00 | 6403.00 | 5821.25 | 6464.00 | 8158.00 | 6981.29 | 8617.50 | 5919.67 | 8462.00 | 6901.00 | 9846.00 | 8051.50 | 7892.50 | 8005.00 | 6128.00 | 7343.81 | 8382.40 | 6830.00 | 5173.00 | 7114.44 | 7680.00 | 8405.00 | 7493.20 | 7628.17 | 12779.00 | 7075.00 | 12237.00 | 6725.00 | 7776.50 | 7275.59 | 7847.50 | 7152.11 | 8886.00 | 7418.19 | 7532.40 | 6228.50 | 8324.00 | 7562.50 | 8993.00 | 6225.40 | 6760.67 | 7722.00 | 5930.00 | 7489.52 | 6072.00 | 6038.67 | 7200.40 | 7398.56 | 11409.00 | 7200.75 | 7190.25 | 5697.50 | 11678.00 | 7728.50 | 5414.00 | 7831.00 | |
| benzylalcohol | 3895.50 | 3988.00 | 6397.86 | 7118.75 | 3274.00 | 190.00 | 8845.00 | 11187.00 | 18617.00 | 3334.79 | 2662.25 | 6135.67 | 5750.25 | 1031.00 | 10104.00 | 6253.50 | 1030.50 | 6390.00 | 11308.50 | 4546.00 | 4290.40 | 7225.00 | 2446.50 | 5207.22 | 4538.00 | 17209.50 | 7042.80 | 5182.50 | 3402.00 | 9166.00 | 11851.00 | 5821.50 | 887.00 | 6497.15 | 4552.50 | 3365.11 | 6777.00 | 5229.69 | 6574.80 | 4653.50 | 3475.00 | 4682.50 | 11771.00 | 3438.70 | 1490.67 | 9795.00 | 14269.00 | 4493.57 | 5108.00 | 7706.33 | 9068.80 | 8174.56 | 10423.00 | 7172.75 | 6715.00 | 13575.50 | 316.00 | 13569.75 | 17622.00 | 7358.00 | |
| beta-alanine | 1540.00 | 282.00 | 232.07 | 314.50 | 142.00 | 204.00 | 194.75 | 313.00 | 143.00 | 357.14 | 435.00 | 316.33 | 357.50 | 303.00 | 756.00 | 375.20 | 184.00 | 163.00 | 172.50 | 471.00 | 309.60 | 692.00 | 345.00 | 424.61 | 255.00 | 424.50 | 341.60 | 168.50 | 205.00 | 249.00 | 659.00 | 275.00 | 173.50 | 490.41 | 285.17 | 357.44 | 417.00 | 360.75 | 311.20 | 264.50 | 176.00 | 302.00 | 266.00 | 213.20 | 455.33 | 239.00 | 328.00 | 656.67 | 396.67 | 332.00 | 297.80 | 403.00 | 498.00 | 373.75 | 604.25 | 246.50 | 278.00 | 1715.00 | 367.00 | 211.00 | |
| beta-mannosylglycerate | 1841.00 | 4810.00 | 2494.64 | 2980.25 | 2609.00 | 3286.00 | 2962.50 | 3656.00 | 4668.00 | 3754.79 | 4980.25 | 3237.33 | 2316.50 | 4827.00 | 4166.00 | 3026.90 | 2028.50 | 3467.00 | 3350.50 | 3196.19 | 4962.20 | 3967.00 | 2254.00 | 3285.33 | 2724.50 | 2849.50 | 1842.40 | 2799.00 | 142.00 | 4935.00 | 215.00 | 2780.25 | 2749.00 | 3167.94 | 2411.17 | 3535.22 | 3435.00 | 2807.81 | 2019.40 | 4170.50 | 5310.00 | 3477.50 | 3844.00 | 2938.80 | 1523.67 | 2952.00 | 5678.00 | 3191.48 | 3953.33 | 4065.00 | 3129.80 | 2789.17 | 97.00 | 4089.00 | 2864.75 | 4088.00 | 3276.00 | 4668.75 | 2431.00 | 1373.00 | |
| butane-2,3-diol (NIST) | 541.00 | 482.00 | 511.56 | 561.33 | 635.50 | 550.00 | 487.50 | - | - | 742.90 | - | 618.33 | 664.00 | 504.00 | - | 524.00 | 502.00 | 553.00 | 379.00 | 677.27 | 838.00 | 414.00 | 465.50 | 506.08 | 731.50 | - | 442.00 | 643.50 | - | - | - | 540.25 | 314.00 | 765.50 | 602.00 | 1208.67 | - | 556.50 | 729.50 | - | 370.00 | 221.00 | - | 416.71 | 588.00 | 792.00 | 965.00 | 932.09 | 802.50 | 465.33 | 610.75 | 490.33 | - | 956.67 | 872.33 | 784.50 | - | 582.33 | 777.00 | - | |
| capric acid | 1742.00 | 2977.00 | 2019.86 | 2133.50 | 2351.00 | 2196.00 | 1805.50 | 201.00 | 1666.00 | 1983.50 | 740.25 | 2186.67 | 2049.25 | 1923.00 | 338.00 | 1651.90 | 472.00 | 1272.00 | 2257.00 | 1798.50 | 2269.60 | 2908.00 | 1353.50 | 1768.06 | 3332.50 | 1146.00 | 1422.80 | 1283.67 | 638.00 | 421.00 | 643.00 | 2968.25 | 1409.50 | 1802.88 | 1641.33 | 2131.33 | 493.00 | 1330.19 | 1731.20 | 307.50 | 1176.00 | 1546.50 | 451.00 | 1767.40 | 937.00 | 3342.00 | 1649.00 | 1241.33 | 1819.67 | 1259.33 | 2231.00 | 1677.28 | 755.00 | 2272.00 | 1621.25 | 1210.00 | 371.00 | 2172.50 | 1882.00 | 1802.00 | |
| cholesterol | 33162.00 | 38433.00 | 41138.14 | 38349.25 | 41448.00 | 34109.00 | 34136.25 | 23800.00 | 35209.00 | 39536.36 | 33674.25 | 32228.00 | 53969.00 | 42281.00 | 43673.00 | 36121.80 | 36613.00 | 29784.00 | 41745.00 | 60670.25 | 66612.80 | 31929.00 | 41427.00 | 40390.72 | 54780.00 | 31525.50 | 35565.60 | 35305.50 | 37477.00 | 30133.00 | 37111.00 | 44835.25 | 46158.50 | 43712.24 | 39620.33 | 39069.22 | 59602.00 | 39940.62 | 37397.00 | 26136.00 | 43279.00 | 54816.00 | 46322.00 | 36462.70 | 61997.00 | 35606.00 | 37132.00 | 44402.14 | 31727.67 | 31925.67 | 37583.20 | 45432.06 | 31939.00 | 47197.25 | 48648.50 | 39650.00 | 39830.00 | 43594.75 | 38078.00 | 34007.00 | |
| citramalic acid | 113.50 | 84.00 | 110.71 | 141.75 | 81.00 | 96.00 | 100.75 | 105.00 | 291.00 | 112.57 | 113.75 | 133.33 | 118.25 | 137.00 | 106.00 | 107.90 | 97.50 | 87.00 | 124.50 | 123.62 | 118.20 | 96.00 | 86.50 | 116.89 | 147.50 | 120.00 | 108.80 | 146.17 | 67.00 | 98.00 | 89.00 | 115.50 | 277.50 | 112.21 | 102.17 | 131.11 | 99.00 | 116.62 | 83.80 | 157.50 | 87.00 | 131.50 | 99.00 | 107.80 | 84.00 | 92.00 | 122.00 | 120.43 | 102.00 | 93.00 | 136.20 | 126.44 | 80.00 | 108.00 | 101.75 | 81.00 | 120.00 | 154.50 | 89.00 | 110.00 | |
| citric acid | 5533.00 | 76.00 | 6404.93 | 6638.00 | 5581.50 | 5740.00 | 3060.00 | 8904.00 | 185.00 | 8165.36 | 2402.75 | 9248.00 | 6116.75 | 8686.00 | 119.00 | 4611.20 | 3490.00 | 5223.00 | 8761.00 | 1821.88 | 8623.20 | 10070.00 | 9310.00 | 5416.00 | 4039.50 | 3425.50 | 7856.60 | 4453.50 | 8505.00 | 70.00 | 77.00 | 7059.00 | 85.50 | 4720.41 | 6082.00 | 6482.44 | 8734.00 | 3626.81 | 4618.60 | 87.50 | 7860.00 | 11232.00 | 94.00 | 3933.40 | 6760.67 | 12596.00 | 12435.00 | 4093.90 | 5484.33 | 91.00 | 9671.40 | 5936.50 | 91.00 | 7482.75 | 5929.25 | 5205.00 | 114.00 | 10530.00 | 96.00 | 115.00 | |
| citrulline | 1389.00 | 1430.00 | 1157.71 | 1399.75 | 1408.00 | 1424.00 | 1092.25 | 1660.00 | 209.00 | 1467.50 | 1291.00 | 1361.00 | 1133.50 | 1725.00 | 214.00 | 880.90 | 872.00 | 1642.00 | 1429.00 | 1056.75 | 1827.40 | 1961.00 | 1495.50 | 1216.94 | 1746.00 | 621.00 | 1152.60 | 1218.33 | 450.00 | 90.00 | 734.00 | 1728.50 | 721.00 | 1231.03 | 1450.67 | 1318.44 | 644.50 | 1137.88 | 837.20 | 101.50 | 1785.00 | 824.50 | 1509.00 | 1058.10 | 1012.00 | 1054.00 | 1978.00 | 1063.48 | 1062.33 | 1078.67 | 1163.00 | 1315.83 | 1126.00 | 1625.00 | 1555.00 | 995.50 | 141.00 | 1539.00 | 2446.00 | 216.00 | |
| conduritol-beta-epoxide | 145.50 | 173.00 | 324.21 | 406.75 | 335.00 | 85.00 | 554.25 | 440.00 | 424.00 | 211.50 | 247.00 | 299.67 | 183.75 | 202.00 | 320.00 | 303.70 | 142.00 | 201.00 | 265.00 | 452.31 | 434.40 | 278.00 | 237.50 | 311.22 | 288.50 | 236.50 | 420.60 | 408.00 | 619.00 | 1125.00 | 360.00 | 478.25 | 237.50 | 369.85 | 227.50 | 280.00 | 171.00 | 365.38 | 269.80 | 830.50 | 113.00 | 456.00 | 213.00 | 406.60 | 430.67 | 80.00 | 500.00 | 408.81 | 156.67 | 368.00 | 395.80 | 586.06 | 530.00 | 248.25 | 434.50 | 202.00 | 144.00 | 948.50 | 2810.00 | 375.00 | |
| creatinine | 2561.50 | 862.00 | 1338.71 | 2196.25 | 1541.50 | 451.00 | 1106.50 | 2525.00 | 1809.00 | 1617.64 | 1093.75 | 3383.33 | 1676.50 | 1657.00 | 5843.00 | 1519.10 | 1096.00 | 1140.00 | 1034.00 | 2295.81 | 1408.60 | 2717.00 | 2974.00 | 1982.44 | 697.00 | 2605.50 | 1309.20 | 1618.50 | 1760.00 | 1414.00 | 1320.00 | 3010.75 | 2489.00 | 2103.65 | 2140.83 | 2089.78 | 679.00 | 1555.56 | 1116.20 | 1654.50 | 1996.00 | 1413.00 | 1444.00 | 1782.30 | 3059.67 | 1209.00 | 1659.00 | 1825.14 | 2185.67 | 2535.33 | 1705.80 | 1712.28 | 1715.00 | 2408.25 | 3806.75 | 3983.00 | 2358.00 | 6608.75 | 2237.00 | 2109.00 | |
| cysteine | 1900.00 | 2523.00 | 2437.14 | 3151.50 | 1322.00 | 2051.00 | 1933.25 | 2137.00 | 2176.00 | 1902.57 | 2136.50 | 3107.33 | 3111.00 | 2138.00 | 5712.00 | 2776.40 | 1427.50 | 739.00 | 2464.50 | 3433.88 | 2867.60 | 5431.00 | 2220.50 | 2154.28 | 2106.50 | 3615.00 | 1585.00 | 3255.67 | 3492.00 | 2929.00 | 4489.00 | 4084.00 | 1691.00 | 2702.50 | 2510.00 | 2875.56 | 2064.00 | 2808.31 | 3189.40 | 3844.50 | 1464.00 | 2649.50 | 3064.00 | 2306.20 | 3153.33 | 3967.00 | 4681.00 | 2871.14 | 1239.67 | 4187.33 | 3237.20 | 2484.28 | 2317.00 | 3907.75 | 2118.50 | 3810.50 | 2460.00 | 4820.75 | 4069.00 | 2474.00 | |
| cysteine-glycine | 222.00 | 132.00 | 189.43 | 245.75 | 185.50 | 154.00 | 189.00 | 220.00 | 227.00 | 170.36 | 165.25 | 250.00 | 251.50 | 192.00 | 265.00 | 221.90 | 163.00 | 124.00 | 176.00 | 279.38 | 199.40 | 281.00 | 227.00 | 248.22 | 167.50 | 233.00 | 177.40 | 171.67 | 256.00 | 123.00 | 187.00 | 255.00 | 169.50 | 223.44 | 176.67 | 213.89 | 245.00 | 271.62 | 212.00 | 175.50 | 131.00 | 231.50 | 253.00 | 207.30 | 205.67 | 241.00 | 299.00 | 228.33 | 117.00 | 259.67 | 234.80 | 246.22 | 271.00 | 243.00 | 258.25 | 256.00 | 187.00 | 312.00 | 217.00 | 333.00 | |
| cystine | 5220.50 | 8589.00 | 3441.64 | 5192.25 | 4044.50 | 5894.00 | 3749.50 | 2149.00 | 3843.00 | 3752.79 | 3518.25 | 4062.00 | 3664.50 | 3400.00 | 7024.00 | 3566.40 | 2429.00 | 2328.00 | 3598.50 | 6077.94 | 5137.60 | 8437.00 | 5097.00 | 3955.50 | 3081.50 | 4130.00 | 2674.80 | 5073.33 | 3658.00 | 6281.00 | 3857.00 | 5750.50 | 3678.00 | 4409.03 | 4395.50 | 4104.78 | 4051.50 | 4647.50 | 5430.60 | 5182.00 | 5884.00 | 5158.50 | 4956.00 | 3622.90 | 4834.33 | 4346.00 | 8006.00 | 4202.86 | 1996.33 | 5073.00 | 5930.00 | 4480.56 | 4115.00 | 5427.75 | 4231.75 | 5200.50 | 6192.00 | 6603.25 | 8796.00 | 4371.00 | |
| dihydro-3-coumaric acid | 175.50 | 107.00 | 202.86 | 250.75 | 151.50 | 138.00 | 120.50 | 128.00 | 167.00 | 254.00 | 198.50 | 138.00 | 400.50 | 144.00 | 523.00 | 291.50 | 171.50 | 142.00 | 159.50 | 356.31 | 232.80 | 154.00 | 249.50 | 238.22 | 157.50 | 565.50 | 174.60 | 235.83 | 144.00 | 102.00 | 315.00 | 134.25 | 165.00 | 281.65 | 243.00 | 228.11 | 532.50 | 178.44 | 199.60 | 131.50 | 130.00 | 594.50 | 605.00 | 176.20 | 258.33 | 462.00 | 186.00 | 248.76 | 309.00 | 188.33 | 288.80 | 212.94 | 249.00 | 229.00 | 196.25 | 218.50 | 874.00 | 449.75 | 180.00 | 299.00 | |
| elaidic acid | 783.00 | 1031.00 | 1646.21 | 1348.75 | 570.50 | 2155.00 | 152.25 | 267.00 | 153.00 | 1336.36 | 684.25 | 969.67 | 1931.00 | 1083.00 | 956.00 | 1387.90 | 419.50 | 379.00 | 1203.00 | 1043.19 | 1218.80 | 623.00 | 1078.00 | 696.67 | 2112.00 | 467.50 | 630.20 | 876.67 | 1843.00 | 57.00 | 2978.00 | 947.00 | 84.00 | 1200.15 | 1328.50 | 1301.78 | 893.50 | 990.00 | 1769.80 | 84.00 | 226.00 | 1309.00 | 364.00 | 755.20 | 1571.00 | 1191.00 | 410.00 | 647.90 | 318.00 | 751.67 | 1641.60 | 1128.00 | 2050.00 | 1359.25 | 616.00 | 356.00 | 658.00 | 752.50 | 1709.00 | 1766.00 | |
| erythritol | 304.50 | 348.00 | 475.57 | 349.00 | 619.00 | 415.00 | 398.25 | 506.00 | 865.00 | 408.93 | 327.75 | 569.67 | 277.00 | 445.00 | 117.00 | 429.40 | 358.00 | 334.00 | 438.50 | 593.00 | 496.00 | 511.00 | 641.50 | 358.22 | 549.50 | 999.00 | 270.40 | 427.83 | 139.00 | 543.00 | 118.00 | 675.25 | 539.50 | 535.71 | 474.33 | 476.22 | 116.50 | 490.81 | 333.20 | 985.00 | 586.00 | 403.00 | 783.00 | 506.20 | 775.33 | 479.00 | 712.00 | 515.48 | 498.00 | 675.33 | 463.00 | 549.83 | 93.00 | 504.25 | 814.00 | 567.50 | 178.00 | 816.50 | 501.00 | 100.00 | |
| ethanolamine | 256.00 | 2846.00 | 1538.07 | 261.25 | 1560.00 | 283.00 | 300.50 | 158.00 | 482.00 | 1635.71 | 849.50 | 1146.67 | 306.75 | 321.00 | 336.00 | 946.40 | 382.00 | 2701.00 | 1200.50 | 789.19 | 1169.60 | 292.00 | 2519.50 | 776.56 | 3512.00 | 227.00 | 227.40 | 813.67 | 380.00 | 576.00 | 577.00 | 986.25 | 421.00 | 1150.41 | 1311.83 | 1467.44 | 374.00 | 1404.06 | 1344.40 | 255.50 | 153.00 | 1682.00 | 194.00 | 540.80 | 1939.67 | 483.00 | 371.00 | 428.71 | 866.67 | 1710.33 | 2545.00 | 1433.50 | 339.00 | 1512.50 | 933.00 | 2064.00 | 396.00 | 1037.75 | 3093.00 | 3840.00 | |
| fructose | 2139.00 | 993.00 | 1719.36 | 1744.50 | 4103.00 | 1243.00 | 1869.75 | 1404.00 | 6533.00 | 3413.36 | 567.00 | 1463.00 | 742.75 | 813.00 | 3461.00 | 1778.70 | 1318.00 | 1759.00 | 7730.50 | 2442.12 | 2933.00 | 1213.00 | 2794.00 | 2317.67 | 3736.50 | 658.00 | 742.40 | 2525.50 | 896.00 | 1348.00 | 370.00 | 2874.75 | 2874.50 | 2292.74 | 1458.50 | 1524.67 | 260.00 | 1753.56 | 677.80 | 5376.50 | 6672.00 | 3589.50 | 265.00 | 1929.90 | 1943.33 | 1733.00 | 13697.00 | 2929.33 | 5313.00 | 3334.33 | 2655.80 | 2358.83 | 266.00 | 3613.00 | 3595.50 | 1748.00 | 267.00 | 1514.75 | 2229.00 | 259.00 | |
| fumaric acid | 200.50 | 325.00 | 163.21 | 251.00 | 189.00 | 142.00 | 130.50 | 212.00 | 189.00 | 192.07 | 98.00 | 159.33 | 141.50 | 104.00 | 97.00 | 126.50 | 98.50 | 122.00 | 134.00 | 175.88 | 344.20 | 305.00 | 212.50 | 180.72 | 159.50 | 80.00 | 115.80 | 225.50 | 134.00 | 345.00 | 82.00 | 210.50 | 93.00 | 178.00 | 143.17 | 207.33 | 86.00 | 177.31 | 131.00 | 202.00 | 101.00 | 166.00 | 84.00 | 208.10 | 106.00 | 75.00 | 378.00 | 155.14 | 217.33 | 206.67 | 176.80 | 166.89 | 96.00 | 138.25 | 90.00 | 155.00 | 112.00 | 341.50 | 207.00 | 120.00 | |
| galactonic acid | 162.00 | 114.00 | 179.36 | 181.75 | 246.50 | 191.00 | 178.75 | 123.00 | 173.00 | 183.93 | 133.25 | 247.00 | 212.25 | 233.00 | 203.00 | 218.30 | 142.00 | 176.00 | 220.00 | 200.00 | 176.20 | 257.00 | 307.50 | 218.72 | 118.50 | 247.00 | 183.00 | 208.00 | 173.00 | 109.00 | 200.00 | 181.50 | 205.00 | 212.29 | 182.50 | 219.11 | 240.00 | 192.94 | 154.20 | 192.50 | 241.00 | 255.00 | 159.00 | 185.80 | 381.33 | 284.00 | 196.00 | 181.33 | 143.00 | 146.00 | 178.40 | 250.67 | 243.00 | 214.00 | 202.25 | 242.50 | 280.00 | 349.75 | 235.00 | 232.00 | |
| gamma-tocopherol | 853.50 | 442.00 | 526.07 | 559.50 | 760.50 | 767.00 | 478.25 | 415.00 | 249.00 | 750.07 | 626.00 | 761.00 | 785.50 | 1016.00 | 1134.00 | 495.90 | 380.50 | 240.00 | 433.00 | 636.50 | 865.00 | 367.00 | 1201.50 | 657.78 | 1141.00 | 537.00 | 434.60 | 531.67 | 182.00 | 472.00 | 141.00 | 342.00 | 1025.00 | 631.18 | 712.83 | 836.89 | 1281.00 | 568.00 | 550.20 | 588.50 | 886.00 | 626.00 | 758.00 | 535.50 | 546.00 | 723.00 | 1578.00 | 551.24 | 542.00 | 497.67 | 821.40 | 623.17 | 187.00 | 884.00 | 869.25 | 854.50 | 421.00 | 524.75 | 317.00 | 202.00 | |
| gluconic acid | 106.00 | 152.00 | 171.79 | 232.75 | 227.50 | 244.00 | 182.25 | 102.00 | 157.00 | 220.36 | 140.25 | 244.33 | 190.00 | 218.00 | 249.00 | 146.30 | 119.00 | 202.00 | 324.50 | 257.75 | 267.60 | 101.00 | 255.00 | 256.78 | 231.00 | 249.00 | 167.40 | 164.00 | 82.00 | 139.00 | 91.00 | 255.00 | 277.00 | 263.74 | 234.83 | 273.11 | 421.50 | 263.50 | 387.60 | 117.50 | 59.00 | 226.50 | 125.00 | 222.60 | 286.00 | 150.00 | 340.00 | 189.14 | 217.67 | 361.00 | 253.20 | 312.39 | 83.00 | 273.50 | 265.25 | 198.50 | 145.00 | 299.00 | 393.00 | 110.00 | |
| glucose | 129194.50 | 100646.00 | 158553.21 | 173376.25 | 140326.50 | 114102.00 | 113846.00 | 106712.00 | 168447.00 | 152593.93 | 121739.50 | 173447.67 | 294106.75 | 127854.00 | 213324.00 | 170382.30 | 117993.50 | 92425.00 | 193044.00 | 229124.50 | 154340.80 | 175289.00 | 216346.00 | 156094.78 | 192739.00 | 155729.50 | 141191.20 | 140568.83 | 104123.00 | 122636.00 | 134809.00 | 144701.75 | 163340.00 | 184969.29 | 158745.33 | 191533.67 | 471222.50 | 213888.12 | 137386.80 | 151126.50 | 146275.00 | 161500.50 | 204822.00 | 193832.90 | 322176.67 | 181918.00 | 253116.00 | 157913.81 | 142473.00 | 153227.00 | 170786.60 | 200186.11 | 203366.00 | 158501.75 | 155017.25 | 148643.00 | 179438.00 | 168677.75 | 141190.00 | 173596.00 | |
| glucuronic acid | 301.00 | 330.00 | 709.07 | 471.75 | 1685.50 | 477.00 | 1068.25 | 954.00 | 3064.00 | 730.79 | 418.75 | 514.00 | 530.25 | 361.00 | 171.00 | 545.90 | 974.00 | 426.00 | 310.50 | 1634.00 | 471.40 | 525.00 | 553.50 | 785.17 | 620.50 | 976.00 | 311.80 | 1146.17 | 83.00 | 2396.00 | 396.00 | 612.25 | 227.00 | 997.74 | 362.17 | 861.22 | 114.00 | 1226.88 | 600.40 | 2905.50 | 728.00 | 381.00 | 115.00 | 1026.30 | 738.00 | 408.00 | 494.00 | 1094.43 | 1109.67 | 1728.00 | 763.40 | 876.11 | 91.00 | 411.25 | 1303.25 | 1297.00 | 109.00 | 625.25 | 965.00 | 373.00 | |
| glutamine | 43884.00 | 42465.00 | 50196.07 | 55177.25 | 44811.50 | 42989.00 | 46088.50 | 53009.00 | 50746.00 | 43680.43 | 45658.25 | 61670.00 | 46347.00 | 55453.00 | 61654.00 | 50232.90 | 39419.00 | 53744.00 | 44056.50 | 48726.62 | 52692.00 | 84563.00 | 51420.50 | 44694.22 | 43735.50 | 43013.50 | 42016.80 | 47107.17 | 45020.00 | 66223.00 | 52792.00 | 57921.75 | 58137.00 | 52544.76 | 48050.50 | 50637.33 | 46268.00 | 47460.88 | 47527.20 | 74961.00 | 58031.00 | 47729.50 | 42904.00 | 45406.70 | 46876.67 | 35613.00 | 64347.00 | 53520.19 | 49047.00 | 52668.33 | 56035.40 | 53296.67 | 50956.00 | 55260.25 | 55924.50 | 53784.50 | 52822.00 | 62747.75 | 65302.00 | 51345.00 | |
| glyceric acid | 1360.50 | 576.00 | 1891.50 | 1510.75 | 2000.50 | 1174.00 | 2476.25 | 2475.00 | 5172.00 | 1955.43 | 2091.00 | 1281.00 | 2053.25 | 3581.00 | 1445.00 | 1918.70 | 1517.00 | 4065.00 | 1983.00 | 2163.38 | 1724.00 | 1943.00 | 1246.00 | 1946.11 | 1380.00 | 2664.50 | 2126.60 | 2727.17 | 4039.00 | 2977.00 | 1827.00 | 1847.25 | 2692.50 | 2034.44 | 1635.50 | 2159.56 | 1633.50 | 2052.88 | 1785.60 | 3577.00 | 967.00 | 2674.00 | 1373.00 | 2283.20 | 2922.33 | 1316.00 | 1649.00 | 2179.57 | 1983.33 | 1730.33 | 1815.00 | 2557.44 | 2069.00 | 1864.25 | 2902.00 | 1396.00 | 2792.00 | 3304.00 | 1978.00 | 1516.00 | |
| glycerol | 5305.00 | 6721.00 | 13503.79 | 11544.50 | 6712.00 | 11199.00 | 13456.75 | 5048.00 | 15406.00 | 10025.50 | 12383.25 | 9495.33 | 13204.50 | 9828.00 | 13712.00 | 13625.20 | 15406.00 | 5955.00 | 10690.00 | 13384.00 | 9383.20 | 11203.00 | 11120.00 | 9774.17 | 15095.00 | 6377.50 | 6548.00 | 14768.83 | 16513.00 | 30760.00 | 24713.00 | 15963.50 | 21003.50 | 11664.50 | 11752.83 | 12680.78 | 10982.00 | 11638.19 | 10176.40 | 13497.00 | 5604.00 | 12516.50 | 7256.00 | 11876.30 | 14685.33 | 25456.00 | 14857.00 | 11971.76 | 7308.67 | 7544.33 | 11458.80 | 10464.44 | 11580.00 | 12142.50 | 11094.00 | 10193.00 | 13803.00 | 14032.00 | 15233.00 | 13272.00 | |
| glycerol-3-galactoside | 188.00 | 200.00 | 383.50 | 262.00 | 318.50 | 348.00 | 164.75 | 109.00 | 283.00 | 250.36 | 143.00 | 262.00 | 256.25 | 279.00 | 232.00 | 431.80 | 214.50 | 151.00 | 307.50 | 340.06 | 274.00 | 379.00 | 404.50 | 246.78 | 203.50 | 164.00 | 157.40 | 233.50 | 120.00 | 123.00 | 140.00 | 296.00 | 139.50 | 258.24 | 288.83 | 300.56 | 132.00 | 277.50 | 409.80 | 135.00 | 354.00 | 229.50 | 187.00 | 581.90 | 177.33 | 323.00 | 529.00 | 237.24 | 219.33 | 273.67 | 381.20 | 350.11 | 127.00 | 326.75 | 379.00 | 236.00 | 181.00 | 604.00 | 571.00 | 150.00 | |
| glycerol-alpha-phosphate | 296.00 | 234.00 | 274.36 | 276.00 | 387.50 | 242.00 | 219.75 | 328.00 | 267.00 | 308.21 | 235.25 | 307.00 | 374.75 | 175.00 | 366.00 | 432.70 | 194.00 | 238.00 | 296.00 | 251.56 | 335.60 | 457.00 | 309.00 | 248.72 | 224.00 | 175.50 | 247.60 | 269.33 | 410.00 | 76.00 | 457.00 | 348.50 | 385.00 | 280.24 | 195.83 | 327.56 | 140.00 | 278.00 | 202.60 | 196.50 | 257.00 | 250.50 | 211.00 | 249.00 | 231.33 | 208.00 | 470.00 | 265.24 | 359.00 | 364.33 | 228.40 | 286.17 | 319.00 | 295.50 | 268.00 | 170.00 | 110.00 | 357.75 | 278.00 | 109.00 | |
| glycine | 74341.00 | 58669.00 | 64899.29 | 124124.25 | 69310.00 | 56936.00 | 82128.00 | 83609.00 | 123351.00 | 74653.36 | 69616.25 | 67509.67 | 66306.25 | 85369.00 | 77957.00 | 77485.70 | 57562.00 | 87536.00 | 78242.00 | 79455.31 | 73048.40 | 137018.00 | 66794.50 | 71953.56 | 67235.50 | 68113.50 | 67844.20 | 104302.33 | 111302.00 | 100590.00 | 128717.00 | 79076.50 | 60293.50 | 80228.53 | 80768.50 | 80699.22 | 56197.50 | 71617.50 | 53640.60 | 77458.50 | 68665.00 | 68615.50 | 84498.00 | 63068.90 | 54943.33 | 53406.00 | 79163.00 | 76993.24 | 70400.00 | 75404.33 | 63218.80 | 75014.67 | 71875.00 | 65305.00 | 68371.25 | 82039.50 | 83637.00 | 71257.50 | 70602.00 | 90302.00 | |
| glycocyamine | 235.50 | 196.00 | 208.14 | 220.25 | 180.50 | 208.00 | 222.75 | 181.00 | 311.00 | 249.86 | 265.00 | 167.67 | 255.75 | 173.00 | 344.00 | 244.60 | 214.00 | 229.00 | 190.00 | 280.94 | 333.40 | 412.00 | 205.00 | 223.00 | 271.00 | 278.00 | 221.20 | 236.50 | 251.00 | 312.00 | 234.00 | 213.00 | 182.50 | 260.26 | 254.33 | 257.44 | 230.00 | 270.19 | 257.60 | 246.00 | 189.00 | 237.00 | 320.00 | 191.40 | 194.00 | 192.00 | 321.00 | 278.71 | 201.33 | 248.33 | 266.00 | 260.78 | 417.00 | 258.25 | 242.75 | 212.50 | 266.00 | 313.00 | 307.00 | 303.00 | |
| glycolic acid | 1716.50 | 1606.00 | 1291.86 | 1706.50 | 1313.50 | 930.00 | 1243.25 | 896.00 | 1721.00 | 1013.00 | 1262.25 | 1298.00 | 1382.50 | 1290.00 | 2101.00 | 1400.90 | 1085.00 | 1606.00 | 1298.00 | 1315.40 | 1020.00 | 2081.00 | 935.00 | 1285.56 | 1243.50 | 964.50 | 1049.60 | 1520.50 | 1992.00 | 1321.00 | 1573.00 | 1325.25 | 958.00 | 1273.29 | 1397.00 | 936.11 | 1369.50 | 1205.94 | 1357.00 | 1331.50 | 931.00 | 1426.00 | 1614.00 | 1128.70 | 1083.00 | 1816.00 | 1542.00 | 1345.67 | 1036.67 | 1457.00 | 1082.00 | 1319.94 | 1006.00 | 1179.75 | 1125.50 | 1572.00 | 2785.00 | 1763.75 | 1160.00 | 1014.00 | |
| hippuric acid | 649.50 | 518.00 | 1610.57 | 3035.75 | 1019.50 | 331.00 | 1389.50 | 2212.00 | 2050.00 | 1641.21 | 1398.00 | 1039.00 | 1473.75 | 498.00 | 1477.00 | 936.90 | 752.00 | 801.00 | 1155.50 | 2469.12 | 2341.40 | 1367.00 | 4190.00 | 1691.61 | 783.00 | 1179.50 | 1205.20 | 3359.00 | 511.00 | 578.00 | 2218.00 | 1327.50 | 742.00 | 1703.12 | 4925.17 | 1843.00 | 1206.50 | 1723.94 | 1225.00 | 792.50 | 1704.00 | 3222.50 | 3248.00 | 1417.70 | 3290.33 | 6892.00 | 3286.00 | 2491.10 | 3519.00 | 3026.00 | 2139.40 | 2107.50 | 2012.00 | 1411.00 | 2427.50 | 3023.50 | 575.00 | 4600.50 | 2596.00 | 1070.00 | |
| hydrocinnamic acid | 264.00 | 189.00 | 332.50 | 397.75 | 198.00 | 192.00 | 460.00 | 251.00 | 731.00 | 309.29 | 382.25 | 241.00 | 296.75 | 215.00 | 446.00 | 230.80 | 223.00 | 291.00 | 334.50 | 326.44 | 363.20 | 406.00 | 299.50 | 276.78 | 235.50 | 432.50 | 309.00 | 582.17 | 244.00 | 168.00 | 395.00 | 401.50 | 201.50 | 309.85 | 357.33 | 360.22 | 350.50 | 357.50 | 317.40 | 376.00 | 228.00 | 379.00 | 626.00 | 290.10 | 301.33 | 617.00 | 492.00 | 365.62 | 471.33 | 459.00 | 329.00 | 310.39 | 508.00 | 274.00 | 363.00 | 453.00 | 340.00 | 545.00 | 371.00 | 241.00 | |
| hydroquinone | 111.50 | 94.00 | 235.07 | 134.75 | 185.00 | 99.00 | 147.00 | 188.00 | 353.00 | 122.43 | 139.00 | 224.33 | 217.75 | 186.00 | 395.00 | 127.50 | 86.50 | 146.00 | 309.50 | 1018.94 | 219.20 | 334.00 | 196.00 | 639.11 | 85.00 | 152.00 | 123.40 | 325.33 | 117.00 | 260.00 | 610.00 | 288.75 | 157.00 | 200.41 | 157.67 | 169.89 | 107.00 | 233.44 | 281.00 | 200.50 | 72.00 | 211.00 | 151.00 | 208.00 | 155.00 | 308.00 | 217.00 | 235.76 | 162.67 | 105.00 | 159.60 | 180.56 | 142.00 | 371.00 | 138.25 | 343.50 | 73.00 | 382.50 | 228.00 | 145.00 | |
| hydroxylamine | 7469.50 | 6341.00 | 6209.79 | 6850.75 | 5663.00 | 6203.00 | 6596.75 | 6600.00 | 7463.00 | 5871.50 | 6489.50 | 4090.00 | 7175.00 | 5538.00 | 7268.00 | 7389.20 | 7464.00 | 6078.00 | 6669.50 | 6008.00 | 6324.20 | 7198.00 | 3957.00 | 6567.83 | 6934.50 | 2701.00 | 6061.60 | 6466.50 | 7025.00 | 5019.00 | 6211.00 | 5897.00 | 2818.50 | 6266.88 | 6074.83 | 5755.89 | 6647.00 | 5871.00 | 6477.40 | 4202.00 | 2750.00 | 7715.00 | 8933.00 | 5576.10 | 4528.67 | 7706.00 | 6937.00 | 5842.24 | 3944.33 | 6121.33 | 6685.20 | 6788.44 | 7522.00 | 6558.25 | 3505.25 | 6827.50 | 9174.00 | 6840.50 | 5844.00 | 8265.00 | |
| indole-3-acetate | 638.50 | 472.00 | 621.29 | 482.75 | 476.00 | 565.00 | 515.75 | 439.00 | 259.00 | 675.00 | 269.75 | 3202.00 | 811.25 | 627.00 | 6436.00 | 433.80 | 580.50 | 567.00 | 869.00 | 651.12 | 563.40 | 683.00 | 794.50 | 812.67 | 557.50 | 1099.00 | 1049.80 | 627.67 | 731.00 | 91.00 | 1106.00 | 1015.25 | 530.00 | 911.15 | 926.83 | 552.33 | 392.50 | 734.44 | 921.20 | 620.50 | 1120.00 | 1018.00 | 137.00 | 890.20 | 792.00 | 628.00 | 1944.00 | 710.52 | 1341.00 | 1008.00 | 1020.20 | 884.56 | 817.00 | 706.25 | 768.75 | 961.50 | 940.00 | 1211.25 | 1791.00 | 205.00 | |
| indole-3-lactate | 678.50 | 845.00 | 472.36 | 408.50 | 463.00 | 204.00 | 340.75 | 407.00 | 456.00 | 556.36 | 484.50 | 544.67 | 697.00 | 470.00 | 2129.00 | 663.60 | 386.50 | 229.00 | 361.00 | 576.88 | 673.20 | 346.00 | 515.50 | 522.89 | 563.50 | 783.50 | 448.60 | 446.33 | 445.00 | 353.00 | 536.00 | 521.75 | 319.50 | 534.15 | 574.50 | 653.44 | 514.00 | 478.81 | 563.00 | 670.00 | 729.00 | 501.50 | 385.00 | 390.40 | 535.00 | 400.00 | 575.00 | 562.19 | 819.33 | 662.33 | 613.40 | 570.72 | 508.00 | 543.75 | 784.25 | 535.00 | 507.00 | 719.00 | 741.00 | 437.00 | |
| inosine | 214.00 | 233.00 | 680.71 | 348.25 | 619.00 | 647.00 | 271.75 | 803.00 | 241.00 | 542.29 | 800.75 | 1002.67 | 537.50 | 378.00 | 1478.00 | 552.30 | 146.00 | 343.00 | 2056.00 | 564.69 | 892.60 | 555.00 | 232.50 | 721.94 | 565.50 | 396.00 | 461.40 | 562.00 | 139.00 | 149.00 | 159.00 | 948.25 | 640.50 | 608.32 | 398.17 | 485.00 | 376.50 | 672.44 | 396.20 | 123.50 | 911.00 | 897.50 | 2169.00 | 710.90 | 511.33 | 1392.00 | 693.00 | 540.67 | 692.33 | 187.33 | 516.60 | 521.00 | 203.00 | 636.50 | 984.25 | 424.00 | 664.00 | 873.75 | 418.00 | 1045.00 | |
| inositol allo- | 96.50 | 107.00 | 306.57 | 156.00 | 216.50 | 161.00 | 557.25 | 154.00 | 213.00 | 497.07 | 129.75 | 146.67 | 369.25 | 105.00 | 180.00 | 372.30 | 123.00 | 96.00 | 182.50 | 801.38 | 526.80 | 218.00 | 172.50 | 361.17 | 162.50 | 544.00 | 550.00 | 345.83 | 78.00 | 4678.00 | 198.00 | 166.25 | 186.00 | 487.79 | 213.00 | 165.00 | 287.00 | 448.94 | 334.60 | 707.00 | 98.00 | 1826.50 | 152.00 | 868.00 | 249.67 | 93.00 | 2843.00 | 591.48 | 124.00 | 322.00 | 437.40 | 1096.89 | 1512.00 | 315.50 | 1643.75 | 128.00 | 249.00 | 1770.00 | 1385.00 | 212.00 | |
| inositol myo- | 5063.50 | 4292.00 | 5937.07 | 5148.75 | 6163.00 | 3219.00 | 3941.25 | 5568.00 | 7262.00 | 5352.79 | 5076.50 | 6123.00 | 6087.00 | 4795.00 | 7846.00 | 6895.80 | 4612.50 | 3325.00 | 6596.00 | 8981.62 | 9925.20 | 5946.00 | 5870.00 | 6553.50 | 6581.00 | 10983.50 | 5633.60 | 5422.33 | 7062.00 | 11519.00 | 8559.00 | 6991.75 | 7579.50 | 8226.24 | 6443.50 | 6849.11 | 4798.50 | 6931.25 | 7270.80 | 12570.50 | 5662.00 | 9232.00 | 8626.00 | 6835.70 | 7408.67 | 9449.00 | 6910.00 | 7880.33 | 6493.33 | 7324.33 | 5378.00 | 11382.56 | 8339.00 | 8058.25 | 10296.00 | 6959.00 | 13720.00 | 12951.75 | 14625.00 | 9231.00 | |
| isobutene glycol NIST | 277.50 | 258.00 | 176.77 | 335.00 | 268.00 | 183.00 | 268.75 | 324.00 | 582.00 | 328.36 | 282.33 | 251.67 | 261.00 | 378.00 | - | 211.83 | 196.00 | 373.00 | 227.00 | 283.80 | 243.40 | 318.00 | 240.50 | 276.21 | 258.00 | 271.00 | 174.40 | 294.17 | 120.00 | 15.00 | 200.00 | 200.00 | 429.50 | 252.66 | 274.80 | 291.00 | 157.00 | 269.75 | 195.00 | 124.50 | 503.00 | 270.00 | - | 262.33 | 349.33 | 297.00 | 201.00 | 256.30 | 308.00 | 304.33 | 287.80 | 255.72 | 267.00 | 310.33 | 371.00 | 227.50 | - | 84.67 | 378.00 | - | |
| isocitric acid | 160.00 | 104.00 | 127.57 | 173.50 | 175.50 | 116.00 | 141.25 | 101.00 | 189.00 | 161.50 | 96.00 | 204.67 | 109.75 | 199.00 | 117.00 | 142.10 | 130.00 | 136.00 | 141.50 | 135.50 | 209.60 | 235.00 | 213.00 | 162.67 | 79.00 | 134.00 | 125.60 | 147.50 | 117.00 | 276.00 | 124.00 | 198.50 | 93.50 | 149.91 | 148.50 | 179.22 | 91.00 | 146.50 | 99.20 | 155.00 | 186.00 | 200.50 | 119.00 | 131.30 | 231.33 | 75.00 | 219.00 | 123.95 | 186.67 | 125.33 | 175.60 | 187.28 | 155.00 | 212.50 | 198.75 | 191.50 | 124.00 | 271.50 | 140.00 | 120.00 | |
| isodeoxytetronic acid | 2073.50 | 894.00 | 759.29 | 654.00 | 834.50 | 656.00 | 799.75 | 713.00 | 1626.00 | 1156.71 | 880.25 | 1520.67 | 1333.25 | 852.00 | 1289.00 | 938.60 | 734.50 | 617.00 | 767.00 | 1470.25 | 1804.00 | 1120.00 | 1050.00 | 1043.06 | 1354.50 | 1654.00 | 847.40 | 776.00 | 802.00 | 937.00 | 1275.00 | 1032.25 | 1007.50 | 1159.50 | 1032.83 | 1198.44 | 920.50 | 1078.06 | 848.00 | 2284.00 | 749.00 | 1053.00 | 1147.00 | 796.20 | 933.33 | 1089.00 | 1510.00 | 1132.19 | 659.33 | 1006.33 | 1210.80 | 1339.50 | 1045.00 | 1434.50 | 1434.00 | 833.00 | 1544.00 | 2024.50 | 1896.00 | 1026.00 | |
| isoleucine | 47065.50 | 18591.00 | 17573.21 | 18847.25 | 13799.50 | 14595.00 | 11989.75 | 13171.00 | 3769.00 | 20199.43 | 17904.50 | 20878.33 | 25924.50 | 21503.00 | 42662.00 | 18834.50 | 8943.50 | 10080.00 | 16181.00 | 22898.19 | 22163.00 | 41214.00 | 17818.50 | 26060.06 | 18943.50 | 23131.50 | 18028.20 | 16866.67 | 16141.00 | 18526.00 | 28507.00 | 15172.25 | 17994.50 | 22715.09 | 19873.17 | 20533.22 | 25133.50 | 24184.06 | 19060.60 | 22076.00 | 23444.00 | 17633.00 | 28484.00 | 17400.30 | 31728.33 | 23178.00 | 20375.00 | 21958.19 | 18081.00 | 12626.33 | 17944.20 | 19855.06 | 27692.00 | 23122.25 | 34319.50 | 24600.00 | 29025.00 | 37489.00 | 18388.00 | 25266.00 | |
| isothreitol | 263.00 | 239.00 | 289.07 | 290.25 | 248.50 | 228.00 | 156.75 | 218.00 | 456.00 | 270.57 | 285.75 | 313.67 | 321.25 | 252.00 | 439.00 | 334.70 | 484.50 | 220.00 | 270.50 | 410.31 | 339.00 | 357.00 | 300.00 | 326.78 | 335.50 | 1103.00 | 326.20 | 313.50 | 428.00 | 334.00 | 466.00 | 306.50 | 310.00 | 424.03 | 300.17 | 295.56 | 316.50 | 308.12 | 272.60 | 815.50 | 377.00 | 366.00 | 504.00 | 386.30 | 379.00 | 304.00 | 267.00 | 372.76 | 418.67 | 312.00 | 320.20 | 525.39 | 260.00 | 383.50 | 670.25 | 290.50 | 697.00 | 765.25 | 766.00 | 317.00 | |
| kynurenine | 194.50 | 239.00 | 624.64 | 222.00 | 187.00 | 182.00 | 1576.25 | 237.00 | 2809.00 | 347.36 | 772.25 | 264.67 | 228.25 | 196.00 | 254.00 | 420.70 | 1245.50 | 184.00 | 218.00 | 1889.06 | 225.40 | 213.00 | 269.00 | 735.44 | 237.50 | 274.00 | 201.00 | 911.33 | 216.00 | 3957.00 | 228.00 | 247.50 | 1359.50 | 1122.79 | 197.83 | 680.22 | 191.50 | 1146.00 | 655.00 | 4401.00 | 783.00 | 278.00 | 257.00 | 932.90 | 232.67 | 232.00 | 226.00 | 1360.10 | 1067.67 | 2084.67 | 646.20 | 691.56 | 278.00 | 274.50 | 837.50 | 1200.00 | 347.00 | 273.75 | 351.00 | 345.00 | |
| lactic acid | 144108.00 | - | 134220.29 | 190809.67 | 68779.50 | 55563.00 | 114182.75 | - | 190703.00 | 116343.75 | 41778.33 | 164075.67 | - | 163268.00 | - | 148454.67 | 125338.00 | 104862.00 | 87812.00 | 144599.67 | 130842.25 | 242569.00 | 192333.00 | 119145.64 | 1589.00 | - | 193272.50 | 128880.80 | - | 96284.00 | - | 147537.00 | 54280.50 | 105923.00 | 101921.33 | 117440.33 | 175335.00 | 113484.70 | 72719.67 | 112885.50 | 109969.00 | 135252.00 | - | 113877.33 | 137281.00 | - | 164579.00 | 115003.71 | 91986.00 | 256337.50 | 176816.00 | 121294.87 | 154486.00 | 169538.00 | 116432.33 | 146761.00 | - | 157380.50 | - | - | |
| lactobionic acid | 259.50 | 297.00 | 234.43 | 194.00 | 195.50 | 314.00 | 238.00 | 235.00 | 458.00 | 279.21 | 216.25 | 277.67 | 163.75 | 380.00 | 411.00 | 215.00 | 224.50 | 162.00 | 265.50 | 235.56 | 227.20 | 366.00 | 281.00 | 254.39 | 248.00 | 222.00 | 183.80 | 254.33 | 184.00 | 406.00 | 236.00 | 211.50 | 209.50 | 292.32 | 226.67 | 265.89 | 211.00 | 286.25 | 183.60 | 182.50 | 146.00 | 291.00 | 181.00 | 304.00 | 176.33 | 391.00 | 343.00 | 303.48 | 237.67 | 413.00 | 384.20 | 226.89 | 173.00 | 210.25 | 209.75 | 301.00 | 251.00 | 352.75 | 370.00 | 261.00 | |
| lauric acid | 9866.50 | 12774.00 | 13924.57 | 15295.25 | 13008.50 | 9906.00 | 13404.25 | 13954.00 | 13193.00 | 11918.14 | 10152.75 | 9165.67 | 14960.50 | 9591.00 | 14421.00 | 12960.60 | 14195.50 | 6284.00 | 11381.00 | 13297.50 | 14076.40 | 15123.00 | 4782.50 | 12328.50 | 15400.00 | 12008.00 | 11003.60 | 14456.50 | 20183.00 | 15551.00 | 14741.00 | 13316.25 | 13339.00 | 12384.94 | 10667.50 | 11892.67 | 9046.50 | 11786.31 | 13278.80 | 10340.50 | 7809.00 | 13942.50 | 7323.00 | 12141.80 | 8038.67 | 11620.00 | 8143.00 | 11252.81 | 12285.33 | 12235.67 | 10263.20 | 12393.89 | 16308.00 | 13591.50 | 7647.50 | 10281.00 | 15897.00 | 11804.00 | 6917.00 | 6822.00 | |
| leucine | 68601.00 | 35583.00 | 32824.00 | 35979.75 | 21017.00 | 28634.00 | 26397.75 | 27002.00 | 31041.00 | 37413.93 | 38021.25 | 36970.67 | 51450.50 | 47321.00 | 74037.00 | 38885.00 | 33850.50 | 24271.00 | 25666.50 | 46057.75 | 42532.80 | 64156.00 | 34750.50 | 46222.50 | 29821.50 | 44883.50 | 34753.80 | 34094.83 | 26596.00 | 27390.00 | 43189.00 | 28107.00 | 41067.00 | 44303.12 | 39020.00 | 41081.67 | 49005.00 | 46706.50 | 36452.40 | 35277.50 | 48610.00 | 35993.50 | 52967.00 | 32783.10 | 54508.67 | 35265.00 | 46066.00 | 45484.90 | 35679.00 | 35180.00 | 41125.40 | 37532.56 | 56218.00 | 45898.75 | 56264.25 | 45611.50 | 58188.00 | 58696.50 | 27802.00 | 48996.00 | |
| levoglucosan | 398.00 | 315.00 | 312.50 | 1087.50 | 527.50 | 907.00 | 454.50 | 102.00 | 408.00 | 348.43 | 345.50 | 352.00 | 218.25 | 403.00 | 158.00 | 294.50 | 96.00 | 401.00 | 529.00 | 542.56 | 478.60 | 283.00 | 227.00 | 569.83 | 150.00 | 103.50 | 444.60 | 367.83 | 112.00 | 365.00 | 102.00 | 720.50 | 234.50 | 503.32 | 164.00 | 606.67 | 759.00 | 371.50 | 294.80 | 487.00 | 395.00 | 418.00 | 467.00 | 565.10 | 340.00 | 96.00 | 453.00 | 553.90 | 544.33 | 184.67 | 530.20 | 277.44 | 120.00 | 324.25 | 309.75 | 374.00 | 157.00 | 733.50 | 401.00 | 119.00 | |
| linoleic acid | 694.50 | 489.00 | 566.29 | 630.50 | 376.00 | 655.00 | 247.00 | 60.00 | 392.00 | 576.86 | 431.50 | 415.00 | 578.75 | 659.00 | 101.00 | 451.80 | 445.00 | 152.00 | 444.50 | 614.88 | 526.40 | 617.00 | 478.50 | 476.50 | 791.00 | 217.50 | 150.40 | 594.50 | 718.00 | 1676.00 | 1097.00 | 410.00 | 965.00 | 513.65 | 666.83 | 678.00 | 392.50 | 554.38 | 519.00 | 336.50 | 72.00 | 523.00 | 92.00 | 369.00 | 499.33 | 317.00 | 429.00 | 488.24 | 231.67 | 489.33 | 566.00 | 523.72 | 655.00 | 447.75 | 414.75 | 355.50 | 228.00 | 365.00 | 793.00 | 669.00 | |
| linolenic acid | 605.50 | 139.00 | 348.71 | 617.50 | 715.00 | 188.00 | 441.50 | 131.00 | 663.00 | 514.79 | 766.50 | 763.33 | 168.00 | 759.00 | 247.00 | 276.70 | 517.50 | 408.00 | 507.50 | 612.31 | 502.40 | 808.00 | 834.50 | 479.67 | 145.50 | 306.00 | 252.40 | 644.33 | 180.00 | 2642.00 | 187.00 | 403.00 | 1368.00 | 540.24 | 408.50 | 855.00 | 239.50 | 597.12 | 351.40 | 598.50 | 343.00 | 446.50 | 227.00 | 545.00 | 533.00 | 170.00 | 507.00 | 548.48 | 314.00 | 359.00 | 595.40 | 736.28 | 299.00 | 566.75 | 645.75 | 539.50 | 241.00 | 337.75 | 174.00 | 232.00 | |
| lysine | 27476.50 | 22711.00 | 21093.86 | 23101.75 | 15892.50 | 15596.00 | 17927.50 | 20505.00 | 15862.00 | 20945.64 | 19567.00 | 18777.33 | 21787.00 | 18976.00 | 21275.00 | 19242.10 | 20279.00 | 19292.00 | 19717.00 | 21609.06 | 19922.80 | 31825.00 | 17683.50 | 20842.78 | 18997.00 | 20696.50 | 20328.60 | 20264.50 | 18385.00 | 17144.00 | 13212.00 | 24984.25 | 28543.00 | 22295.68 | 19623.33 | 19014.00 | 20923.00 | 23614.81 | 19772.00 | 27683.00 | 20530.00 | 18322.50 | 20003.00 | 21085.80 | 29085.67 | 13746.00 | 25734.00 | 21115.81 | 17940.00 | 20717.00 | 21377.40 | 21148.89 | 21473.00 | 22005.75 | 24147.25 | 21024.50 | 13418.00 | 23880.50 | 20451.00 | 28284.00 | |
| lyxose | 164.50 | 343.00 | 316.14 | 242.75 | 251.50 | 331.00 | 131.50 | 341.00 | 438.00 | 253.14 | 207.75 | 291.33 | 219.25 | 276.00 | 101.00 | 251.70 | 116.00 | 221.00 | 387.00 | 448.62 | 365.40 | 269.00 | 279.00 | 272.22 | 623.00 | 358.50 | 214.60 | 255.00 | 100.00 | 474.00 | 133.00 | 391.25 | 347.00 | 354.35 | 246.50 | 303.22 | 125.50 | 331.56 | 209.00 | 629.00 | 232.00 | 294.50 | 113.00 | 707.60 | 254.33 | 329.00 | 526.00 | 305.10 | 399.67 | 192.33 | 271.60 | 552.11 | 101.00 | 282.50 | 321.25 | 199.50 | 104.00 | 379.75 | 1556.00 | 141.00 | |
| malic acid | 191.00 | 283.00 | 187.43 | 157.75 | 179.00 | 157.00 | 152.50 | 201.00 | 402.00 | 209.86 | 200.50 | 207.33 | 189.25 | 285.00 | 249.00 | 275.60 | 188.50 | 166.00 | 155.00 | 258.44 | 210.40 | 261.00 | 216.00 | 245.06 | 239.00 | 232.50 | 156.00 | 201.33 | 144.00 | 260.00 | 188.00 | 166.75 | 182.50 | 259.71 | 186.67 | 227.00 | 175.00 | 238.31 | 172.60 | 234.50 | 254.00 | 146.00 | 193.00 | 169.40 | 211.00 | 279.00 | 123.00 | 190.81 | 247.67 | 178.00 | 225.00 | 217.17 | 213.00 | 248.00 | 232.75 | 238.00 | 142.00 | 273.00 | 167.00 | 147.00 | |
| methanolphosphate | 130.50 | 70.00 | 74.86 | 89.50 | 69.00 | 109.00 | 209.00 | 116.00 | 126.00 | 168.50 | 95.25 | 78.33 | 209.00 | 539.00 | 128.00 | 95.80 | 101.00 | 113.00 | 82.50 | 109.12 | 96.00 | 90.00 | 70.00 | 126.89 | 81.00 | 80.00 | 87.20 | 96.50 | 83.00 | 89.00 | 88.00 | 73.75 | 87.50 | 126.71 | 203.33 | 94.78 | 106.50 | 142.06 | 100.80 | 85.00 | 86.00 | 90.00 | 98.00 | 111.80 | 80.33 | 439.00 | 88.00 | 87.71 | 75.67 | 85.67 | 160.60 | 167.78 | 106.00 | 114.25 | 77.00 | 100.50 | 99.00 | 166.00 | 107.00 | 125.00 | |
| methionine | 3766.00 | 4626.00 | 2814.29 | 2819.00 | 2063.00 | 2336.00 | 2618.25 | 2498.00 | 2403.00 | 2703.21 | 1427.25 | 3493.33 | 2729.75 | 3522.00 | 141.00 | 2565.80 | 3382.00 | 2270.00 | 2633.50 | 3063.56 | 2417.80 | 6428.00 | 2791.00 | 2386.39 | 2929.50 | 1925.00 | 2837.80 | 2386.83 | 87.00 | 2627.00 | 4324.00 | 3100.50 | 3124.00 | 2865.35 | 2257.83 | 2575.78 | 116.50 | 3354.38 | 1422.20 | 3238.50 | 2893.00 | 1503.50 | 139.00 | 2215.90 | 1000.67 | 2361.00 | 3649.00 | 3328.29 | 3213.33 | 3061.67 | 2752.40 | 2773.72 | 165.00 | 2762.00 | 3403.00 | 3950.00 | 131.00 | 3017.50 | 2905.00 | 115.00 | |
| methionine sulfoxide | 381.50 | 391.00 | 322.93 | 313.00 | 324.00 | 265.00 | 265.00 | 311.00 | 458.00 | 355.93 | 373.75 | 311.00 | 314.00 | 500.00 | 286.00 | 265.20 | 238.00 | 349.00 | 317.00 | 295.62 | 317.60 | 544.00 | 293.00 | 403.28 | 320.50 | 387.00 | 295.80 | 437.17 | 239.00 | 396.00 | 212.00 | 369.25 | 214.00 | 352.47 | 305.00 | 310.22 | 234.50 | 334.75 | 250.60 | 411.50 | 264.00 | 256.00 | 313.00 | 306.30 | 451.67 | 316.00 | 535.00 | 327.95 | 342.67 | 356.33 | 331.40 | 338.17 | 286.00 | 340.25 | 380.25 | 299.00 | 283.00 | 451.50 | 448.00 | 323.00 | |
| methylhexadecanoic acid | 766.50 | 936.00 | 1130.71 | 687.50 | 924.50 | 1467.00 | 664.25 | 616.00 | 386.00 | 964.64 | 754.75 | 1017.67 | 1095.75 | 890.00 | 1165.00 | 905.60 | 815.00 | 728.00 | 1195.00 | 1031.56 | 1006.80 | 1128.00 | 824.50 | 946.44 | 1592.00 | 731.00 | 930.80 | 853.33 | 967.00 | 1293.00 | 1512.00 | 949.75 | 1079.50 | 967.79 | 914.33 | 923.67 | 865.50 | 965.38 | 972.60 | 587.50 | 742.00 | 919.50 | 467.00 | 830.70 | 832.00 | 1021.00 | 465.00 | 950.90 | 865.00 | 946.33 | 1038.00 | 1059.78 | 1136.00 | 1005.75 | 878.25 | 868.50 | 906.00 | 929.50 | 1073.00 | 1063.00 | |
| myristic acid | 634.50 | 721.00 | 897.50 | 886.50 | 577.50 | 933.00 | 624.50 | 618.00 | 612.00 | 748.36 | 734.75 | 534.67 | 992.75 | 662.00 | 803.00 | 917.30 | 761.00 | 435.00 | 638.00 | 781.75 | 809.00 | 974.00 | 545.50 | 760.83 | 959.00 | 758.00 | 680.80 | 852.83 | 1126.00 | 1383.00 | 1111.00 | 789.25 | 1235.50 | 823.65 | 788.33 | 806.89 | 784.50 | 776.25 | 877.40 | 580.50 | 325.00 | 852.50 | 569.00 | 731.90 | 681.00 | 566.00 | 358.00 | 747.62 | 760.67 | 740.33 | 659.60 | 790.00 | 1252.00 | 763.00 | 496.25 | 571.50 | 731.00 | 672.75 | 630.00 | 976.00 | |
| nicotinic acid | 114.50 | 90.00 | 295.50 | 134.50 | 2750.00 | 110.00 | 137.75 | 83.00 | 4592.00 | 1803.43 | 171.75 | 17051.33 | 422.75 | 7762.00 | 468.00 | 216.30 | 132.00 | 7796.00 | 217.50 | 639.06 | 825.40 | 197.00 | 3325.50 | 4231.89 | 106.00 | 213.50 | 401.60 | 154.67 | 135.00 | 201.00 | 2495.00 | 94.25 | 90409.00 | 8476.88 | 18826.83 | 6826.11 | 1434.00 | 4862.00 | 104.80 | 35160.00 | 99535.00 | 152.50 | 207.00 | 8363.80 | 1731.67 | 77.00 | 144.00 | 12735.67 | 23368.67 | 143.00 | 1236.00 | 811.94 | 241.00 | 164.25 | 73659.25 | 115.50 | 451.00 | 148.50 | 75.00 | 201.00 | |
| N-methylalanine | 16315.00 | 11085.00 | 5886.43 | 4510.00 | 4639.50 | 2811.00 | 6680.50 | 5554.00 | 8587.00 | 7086.64 | 7099.25 | 9334.33 | 9397.50 | 7572.00 | 11698.00 | 6894.40 | 8417.00 | 3381.00 | 3825.00 | 9083.94 | 7815.00 | 13581.00 | 5184.50 | 7477.28 | 7552.50 | 4862.00 | 5977.40 | 6907.50 | 6295.00 | 6690.00 | 13635.00 | 7914.00 | 10414.50 | 8016.35 | 8205.33 | 8390.56 | 5919.50 | 8721.75 | 6064.00 | 7243.50 | 5820.00 | 8319.50 | 9517.00 | 6063.10 | 8401.67 | 9124.00 | 9157.00 | 7879.24 | 4242.67 | 4857.67 | 9049.40 | 8048.06 | 10998.00 | 7052.50 | 9682.75 | 8842.00 | 6524.00 | 7289.75 | 3260.00 | 8485.00 | |
| oleic acid | 1602.00 | 1363.00 | 1690.79 | 1545.00 | 678.50 | 2178.00 | 778.00 | 84.00 | 807.00 | 1612.50 | 1469.75 | 1625.67 | 2140.00 | 1804.00 | 1098.00 | 1619.50 | 1397.50 | 325.00 | 1216.00 | 2041.50 | 1290.80 | 1712.00 | 1657.00 | 1396.44 | 2319.00 | 513.00 | 577.40 | 1609.33 | 1858.00 | 6118.00 | 2910.00 | 1198.50 | 3787.50 | 1798.79 | 1622.50 | 1714.00 | 810.00 | 1559.19 | 2172.60 | 950.50 | 199.00 | 1407.00 | 425.00 | 1240.60 | 1769.33 | 1170.00 | 1009.00 | 1560.29 | 707.67 | 1487.67 | 1905.20 | 1407.39 | 2050.00 | 1561.00 | 1356.50 | 998.00 | 1049.00 | 1108.75 | 2112.00 | 2098.00 | |
| ornithine | 27002.50 | 30117.00 | 22041.14 | 25844.25 | 16915.50 | 16566.00 | 20000.25 | 22399.00 | 17860.00 | 24465.86 | 25266.25 | 19730.67 | 22523.75 | 20074.00 | 24020.00 | 22103.30 | 18383.00 | 20834.00 | 19570.00 | 24862.12 | 28509.80 | 39821.00 | 26448.50 | 21730.06 | 20137.50 | 25168.50 | 23872.00 | 29267.67 | 32229.00 | 27981.00 | 27205.00 | 24052.75 | 19372.50 | 25774.50 | 23278.33 | 23105.56 | 27395.50 | 23412.19 | 26191.80 | 37518.00 | 20269.00 | 21654.00 | 21867.00 | 21227.80 | 25117.00 | 16296.00 | 31575.00 | 25281.52 | 24238.67 | 26035.33 | 26846.60 | 23916.50 | 31049.00 | 28825.00 | 29096.25 | 29700.50 | 20094.00 | 30687.50 | 34751.00 | 27482.00 | |
| oxalic acid | 29240.00 | 16617.00 | 13874.57 | 9611.50 | 9541.00 | 8135.00 | 14251.00 | 15703.00 | 19416.00 | 80359.64 | 191149.25 | 16866.33 | 12387.50 | 16456.00 | 16904.00 | 10520.90 | 7692.50 | 13394.00 | 14319.50 | 28290.81 | 59144.40 | 21192.00 | 11898.00 | 14849.17 | 18500.00 | 15482.00 | 10116.60 | 11212.17 | 35488.00 | 23152.00 | 1961.00 | 13481.00 | 23055.00 | 50246.53 | 14698.50 | 156233.00 | 6815.50 | 15775.69 | 131379.20 | 19814.50 | 6154.00 | 11526.50 | 10504.00 | 16620.00 | 15231.33 | 41310.00 | 16801.00 | 68488.05 | 9311.67 | 12410.67 | 18501.80 | 72126.78 | 3124.00 | 11702.75 | 16088.25 | 16296.00 | 25026.00 | 23483.50 | 14015.00 | 7012.00 | |
| oxoproline | 46955.00 | 38902.00 | 37202.50 | 40099.00 | 27275.50 | 37549.00 | 36490.75 | 34814.00 | 37663.00 | 46263.07 | 40392.00 | 43279.33 | 38256.25 | 32319.00 | 42718.00 | 40861.70 | 34140.00 | 34733.00 | 30836.50 | 46951.75 | 48213.80 | 57703.00 | 35183.50 | 39802.39 | 36950.00 | 39916.50 | 43421.80 | 43640.67 | 37099.00 | 47078.00 | 44656.00 | 35566.50 | 36719.00 | 42278.85 | 35502.67 | 48768.78 | 36458.00 | 41629.62 | 48608.00 | 45804.00 | 36300.00 | 37762.50 | 31502.00 | 34686.60 | 36700.00 | 29486.00 | 43416.00 | 41586.90 | 43468.00 | 39933.33 | 43489.60 | 41320.61 | 49782.00 | 39030.25 | 34533.50 | 38725.00 | 48307.00 | 37722.50 | 37158.00 | 40995.00 | |
| palmitic acid | 5167.50 | 5406.00 | 6624.29 | 5114.50 | 3709.50 | 6508.00 | 3473.75 | 3184.00 | 3335.00 | 5260.79 | 5358.75 | 4542.33 | 7285.25 | 5286.00 | 5885.00 | 6154.90 | 5294.00 | 2373.00 | 4758.50 | 6651.88 | 5480.20 | 6129.00 | 4208.50 | 5183.94 | 7489.50 | 4143.00 | 4240.20 | 5016.00 | 5979.00 | 10128.00 | 8144.00 | 5097.00 | 10243.50 | 5926.12 | 5394.83 | 5846.44 | 6117.50 | 5595.50 | 6579.00 | 4096.00 | 2098.00 | 5327.00 | 3460.00 | 5208.90 | 5482.67 | 4125.00 | 3832.00 | 5653.00 | 3720.33 | 5440.33 | 5925.40 | 5639.44 | 6830.00 | 5420.25 | 4688.25 | 3880.50 | 5996.00 | 4631.25 | 5818.00 | 6478.00 | |
| palmitoleic acid | 762.50 | 1297.00 | 1923.36 | 1223.50 | 461.00 | 1468.00 | 465.25 | 333.00 | 472.00 | 1213.50 | 1012.75 | 1038.00 | 1383.00 | 883.00 | 317.00 | 2143.90 | 1208.00 | 278.00 | 748.50 | 1233.06 | 1404.00 | 601.00 | 870.00 | 879.89 | 1463.00 | 518.50 | 332.00 | 1492.50 | 1490.00 | 4786.00 | 2819.00 | 1164.50 | 2702.50 | 1613.32 | 1376.50 | 1367.78 | 489.50 | 1072.12 | 1524.80 | 728.00 | 259.00 | 1130.00 | 508.00 | 1504.10 | 1072.67 | 790.00 | 449.00 | 1178.19 | 521.67 | 898.00 | 1377.00 | 985.50 | 1166.00 | 625.00 | 1170.00 | 492.50 | 607.00 | 653.25 | 1268.00 | 1719.00 | |
| parabanic acid NIST | 540.00 | 701.00 | 552.00 | 475.75 | 501.50 | 685.00 | 432.25 | 508.00 | 715.00 | 563.57 | 651.75 | 426.67 | 544.50 | 411.00 | 571.00 | 603.20 | 436.00 | 551.00 | 765.50 | 570.12 | 1093.00 | 621.00 | 528.00 | 561.67 | 446.00 | 834.50 | 570.40 | 585.50 | 578.00 | 438.00 | 545.00 | 535.50 | 678.50 | 588.26 | 543.50 | 508.78 | 790.50 | 571.88 | 570.80 | 483.50 | 465.00 | 595.00 | 778.00 | 510.40 | 539.00 | 953.00 | 689.00 | 627.43 | 589.00 | 478.33 | 685.40 | 586.17 | 799.00 | 602.25 | 541.25 | 512.50 | 831.00 | 636.75 | 738.00 | 570.00 | |
| paracetamol | 102.50 | 139.00 | 768.14 | 175.50 | 391.00 | 249.00 | 107.00 | 265.00 | 657.00 | 299.79 | 217.75 | 315.67 | 343.25 | 101.00 | 10741.00 | 4157.90 | 1505.50 | 109.00 | 423.00 | 1323.12 | 111.00 | 377.00 | 112.50 | 182.39 | 245.00 | 145.00 | 103.60 | 164.83 | 124.00 | 1566.00 | 144.00 | 1566.25 | 127.00 | 376.38 | 758.17 | 259.67 | 299.50 | 121.44 | 414.40 | 2070.00 | 112.00 | 100.00 | 136.00 | 168.40 | 419.33 | 113.00 | 899.00 | 1775.00 | 151.33 | 153.67 | 123.20 | 421.06 | 130.00 | 424.00 | 110.50 | 107.00 | 4887.00 | 343.00 | 134.00 | 164.00 | |
| pelargonic acid | 6142.50 | 10688.00 | 10188.43 | 8296.25 | 7231.50 | 9499.00 | 6179.25 | 8753.00 | 10021.00 | 7885.57 | 9004.25 | 6466.33 | 11268.75 | 8040.00 | 13801.00 | 8435.00 | 5470.50 | 6631.00 | 6898.50 | 7342.75 | 9866.20 | 9314.00 | 4607.50 | 7501.78 | 10327.00 | 8391.00 | 8516.60 | 8999.00 | 12958.00 | 6201.00 | 17828.00 | 7709.50 | 11116.00 | 8371.09 | 8664.00 | 8530.11 | 12313.50 | 8370.38 | 6345.60 | 7555.00 | 5208.00 | 9611.50 | 6668.00 | 7955.40 | 5766.00 | 8751.00 | 7687.00 | 9529.57 | 7872.00 | 6820.33 | 9522.80 | 8683.17 | 9479.00 | 9252.50 | 6838.25 | 4287.00 | 13321.00 | 8167.75 | 8358.00 | 9123.00 | |
| phenylalanine | 12153.50 | 13393.00 | 9530.14 | 12371.25 | 7032.50 | 10361.00 | 7493.25 | 9290.00 | 10362.00 | 10408.14 | 9427.25 | 10756.00 | 11486.75 | 8215.00 | 14395.00 | 8913.40 | 9789.00 | 6204.00 | 8870.50 | 11170.94 | 9864.80 | 14037.00 | 12249.50 | 10259.56 | 10214.50 | 11949.50 | 9255.60 | 10087.00 | 9385.00 | 10716.00 | 10540.00 | 10072.75 | 9553.50 | 10853.44 | 9531.17 | 10225.22 | 12692.00 | 10588.38 | 9789.60 | 10067.50 | 10754.00 | 9126.00 | 12060.00 | 8941.20 | 12736.00 | 10452.00 | 11653.00 | 10959.67 | 10138.33 | 10650.67 | 10134.20 | 9777.44 | 12315.00 | 10794.75 | 11446.00 | 10408.50 | 11857.00 | 13278.50 | 10498.00 | 9450.00 | |
| phosphoric acid | 10396.50 | 8321.00 | 8661.86 | 7697.75 | 9690.00 | 5978.00 | 9023.25 | 10228.00 | 14097.00 | 9095.93 | 9307.25 | 7389.00 | 10750.00 | 11402.00 | 7739.00 | 9625.70 | 7525.00 | 6560.00 | 9317.50 | 11470.69 | 11961.00 | 15280.00 | 10644.00 | 9330.50 | 8912.00 | 5047.50 | 9058.80 | 9686.00 | 8226.00 | 16863.00 | 11730.00 | 10038.50 | 12448.00 | 9383.79 | 8708.67 | 8556.44 | 14672.00 | 9808.56 | 8842.20 | 11559.50 | 8138.00 | 10803.00 | 9097.00 | 9878.40 | 8811.00 | 9678.00 | 7866.00 | 8570.10 | 8747.67 | 8361.67 | 9103.60 | 9182.50 | 6372.00 | 8285.75 | 5772.25 | 7795.50 | 10558.00 | 10946.25 | 6895.00 | 7646.00 | |
| p-hydroquinone | 114.50 | 292.00 | 239.43 | 196.75 | 185.00 | 99.00 | 255.25 | 188.00 | 353.00 | 149.71 | 146.00 | 283.00 | 118.00 | 186.00 | 108.00 | 194.90 | 190.00 | 146.00 | 364.50 | 1144.38 | 262.80 | 423.00 | 196.00 | 685.44 | 107.50 | 162.50 | 145.80 | 392.17 | 234.00 | 334.00 | 706.00 | 334.00 | 157.00 | 223.62 | 185.50 | 183.44 | 130.50 | 299.38 | 341.60 | 200.50 | 72.00 | 257.50 | 108.00 | 251.80 | 161.00 | 449.00 | 353.00 | 287.67 | 162.67 | 296.67 | 196.00 | 207.78 | 102.00 | 312.75 | 165.75 | 403.00 | 591.00 | 386.75 | 339.00 | 114.00 | |
| pipecolic acid | 129.00 | 1593.00 | 452.93 | 441.25 | 336.50 | 66.00 | 293.50 | 1149.00 | 245.00 | 394.07 | 262.75 | 1561.00 | 693.00 | 95.00 | 4488.00 | 414.30 | 119.50 | 109.00 | 91.50 | 445.50 | 261.00 | 2780.00 | 523.50 | 245.06 | 186.00 | 1825.00 | 407.60 | 139.67 | 410.00 | 70.00 | 108.00 | 619.00 | 1352.00 | 399.44 | 1856.50 | 557.00 | 125.50 | 524.50 | 2961.00 | 107.50 | 115.00 | 1282.00 | 128.00 | 210.30 | 903.33 | 107.00 | 1007.00 | 658.71 | 251.00 | 240.00 | 1424.20 | 373.50 | 163.00 | 352.25 | 229.50 | 200.00 | 147.00 | 105.50 | 2147.00 | 3329.00 | |
| proline | 67365.00 | 51431.00 | 59062.79 | 88645.50 | 32976.00 | 32110.00 | 67679.50 | 62535.00 | 55374.00 | 67749.79 | 72338.25 | 76267.00 | 74424.00 | 101217.00 | 162004.00 | 102344.40 | 63371.00 | 55242.00 | 37031.00 | 82378.06 | 85530.00 | 157142.00 | 67357.50 | 75814.44 | 55315.00 | 91683.50 | 72959.60 | 85882.67 | 68758.00 | 48655.00 | 62568.00 | 55555.25 | 82766.50 | 80846.00 | 79784.33 | 74830.67 | 77727.50 | 79105.19 | 64619.20 | 88371.50 | 109574.00 | 81935.00 | 126046.00 | 69863.30 | 97380.67 | 60550.00 | 121300.00 | 91070.71 | 84689.33 | 56678.33 | 83805.00 | 74972.33 | 125787.00 | 115373.00 | 92652.00 | 108371.00 | 111235.00 | 98076.75 | 69391.00 | 81050.00 | |
| pseudo uridine | 923.00 | 770.00 | 801.43 | 941.00 | 991.00 | 729.00 | 591.50 | 596.00 | 791.00 | 845.07 | 894.75 | 1258.00 | 939.00 | 1314.00 | 994.00 | 1250.50 | 557.50 | 669.00 | 1107.50 | 972.44 | 1295.80 | 907.00 | 921.50 | 886.94 | 977.50 | 1394.00 | 812.40 | 897.00 | 1052.00 | 846.00 | 1033.00 | 1199.25 | 926.00 | 1053.71 | 1032.50 | 931.33 | 1009.50 | 811.06 | 1048.60 | 1359.00 | 1150.00 | 984.00 | 1194.00 | 802.50 | 1170.33 | 774.00 | 1058.00 | 1025.67 | 906.00 | 831.00 | 1022.20 | 1195.33 | 1109.00 | 1196.00 | 1247.75 | 884.00 | 1899.00 | 1730.75 | 1563.00 | 1101.00 | |
| pyrrole-2-carboxylic acid | 244.50 | 181.00 | 231.21 | 182.75 | 116.50 | 165.00 | 243.75 | 133.00 | 291.00 | 205.64 | 228.25 | 150.00 | 275.25 | 266.00 | 416.00 | 249.40 | 225.50 | 205.00 | 223.00 | 286.38 | 211.40 | 400.00 | 114.00 | 248.61 | 218.50 | 260.00 | 225.60 | 273.17 | 242.00 | 392.00 | 289.00 | 139.00 | 254.00 | 252.68 | 207.17 | 203.22 | 243.50 | 283.12 | 229.40 | 370.00 | 163.00 | 246.50 | 293.00 | 191.60 | 177.00 | 265.00 | 323.00 | 267.19 | 282.00 | 201.33 | 268.60 | 233.67 | 206.00 | 200.75 | 167.75 | 202.00 | 330.00 | 242.50 | 207.00 | 230.00 | |
| pyruvic acid | 3922.00 | 1886.00 | 3340.08 | 6472.33 | 1500.00 | 150.00 | 3403.75 | 1804.00 | 203.00 | 2460.14 | 1716.00 | 7032.00 | 3691.50 | 3090.00 | 13269.00 | 4140.11 | 3649.00 | 736.00 | 904.00 | 5009.07 | 4266.80 | 8713.00 | 4987.50 | 4112.61 | 2209.00 | 4203.00 | 2885.67 | 1452.80 | 3125.00 | 72.00 | 6271.00 | 5284.25 | 2018.50 | 3038.24 | 3924.60 | 3698.22 | 6778.00 | 3554.67 | 3184.00 | 72.00 | 1876.00 | 4491.00 | 9436.00 | 4277.00 | 7397.50 | 201.00 | 10430.00 | 4430.26 | 1593.00 | 7370.67 | 7243.50 | 3215.62 | - | 4422.75 | 3967.25 | 9387.50 | 3664.00 | 6445.25 | 3319.00 | 3103.00 | |
| quinic acid | 321.00 | 226.00 | 417.64 | 571.00 | 408.50 | 283.00 | 267.25 | 571.00 | 333.00 | 421.36 | 511.25 | 229.33 | 520.25 | 319.00 | 204.00 | 291.60 | 288.00 | 393.00 | 645.00 | 447.38 | 510.40 | 461.00 | 381.50 | 417.67 | 205.00 | 292.50 | 365.80 | 707.83 | 626.00 | 246.00 | 365.00 | 330.00 | 604.00 | 397.56 | 479.33 | 512.78 | 344.50 | 340.06 | 394.00 | 518.00 | 452.00 | 585.00 | 570.00 | 327.20 | 385.00 | 481.00 | 555.00 | 621.29 | 363.00 | 718.67 | 537.60 | 429.06 | 518.00 | 338.25 | 323.50 | 657.00 | 501.00 | 379.75 | 471.00 | 338.00 | |
| rhamnose | 599.50 | 1916.00 | 899.21 | 1412.00 | 932.00 | 715.00 | 829.50 | 274.00 | 1347.00 | 1195.50 | 984.00 | 1727.33 | 962.75 | 1238.00 | 706.00 | 1022.60 | 721.50 | 891.00 | 910.00 | 1079.50 | 1585.80 | 691.00 | 1444.00 | 1013.33 | 1008.50 | 586.50 | 865.00 | 1363.50 | 954.00 | 1599.00 | 746.00 | 1443.50 | 704.50 | 1174.85 | 1004.50 | 1491.22 | 1235.50 | 975.75 | 930.00 | 1504.50 | 952.00 | 886.00 | 1063.00 | 908.90 | 1476.00 | 819.00 | 1623.00 | 1042.76 | 1196.67 | 1521.67 | 1086.80 | 1621.78 | 2507.00 | 1253.00 | 1371.75 | 1274.50 | 887.00 | 1554.00 | 1115.00 | 803.00 | |
| ribonic acid | 229.00 | 71.00 | 175.43 | 183.50 | 215.00 | 63.00 | 234.25 | 91.00 | 377.00 | 183.07 | 170.50 | 179.00 | 109.50 | 270.00 | 111.00 | 136.30 | 188.00 | 246.00 | 171.00 | 243.75 | 164.20 | 273.00 | 165.00 | 609.06 | 89.50 | 204.50 | 136.80 | 287.17 | 87.00 | 355.00 | 109.00 | 171.00 | 156.50 | 204.24 | 197.33 | 249.44 | 80.00 | 179.69 | 103.20 | 413.00 | 215.00 | 175.00 | 92.00 | 185.00 | 179.33 | 108.00 | 193.00 | 217.57 | 180.67 | 283.33 | 172.40 | 204.78 | 81.00 | 169.00 | 209.50 | 208.00 | 83.00 | 214.75 | 106.00 | 131.00 | |
| salicylic acid | 184.50 | 178.00 | 9866.50 | 3135.50 | 235.00 | 141.00 | 1445.50 | 155.00 | 155.00 | 5886.79 | 11982.25 | 335.00 | 1823.00 | 274.00 | 21878.00 | 7173.50 | 140.00 | 18713.00 | 135.00 | 4971.31 | 10699.00 | 563.00 | 224.50 | 3625.39 | 261.50 | 648.00 | 5355.80 | 173.17 | 101.00 | 98.00 | 120.00 | 11584.75 | 224.50 | 6161.06 | 3773.50 | 210.11 | 157.00 | 8473.69 | 20818.80 | 221.00 | 7366.00 | 6657.00 | 112.00 | 1481.20 | 808.00 | 97.00 | 254.00 | 3448.48 | 1777.33 | 3422.33 | 22923.20 | 3055.50 | 4164.00 | 305.50 | 801.75 | 2579.00 | 505.00 | 2821.25 | 14168.00 | 279.00 | |
| serine | 16608.00 | 18163.00 | 15445.93 | 19830.50 | 14723.00 | 12943.00 | 14833.25 | 15694.00 | 19984.00 | 19476.86 | 16995.75 | 18762.33 | 16134.00 | 17837.00 | 23645.00 | 16220.00 | 16596.50 | 19815.00 | 13160.50 | 17420.88 | 17393.80 | 28581.00 | 21339.50 | 16855.44 | 15775.50 | 14428.50 | 13898.60 | 21249.50 | 14255.00 | 26737.00 | 26775.00 | 15038.50 | 18995.50 | 18962.56 | 17805.67 | 16259.56 | 16606.50 | 17670.88 | 12690.80 | 16683.50 | 13424.00 | 14233.00 | 15497.00 | 14317.40 | 13093.00 | 16743.00 | 22450.00 | 16570.00 | 19333.67 | 19242.33 | 17777.60 | 15949.06 | 14649.00 | 15686.75 | 16772.00 | 21122.00 | 15369.00 | 16440.00 | 13776.00 | 20214.00 | |
| stearic acid | 49073.50 | 47830.00 | 55652.07 | 44283.00 | 31861.00 | 66570.00 | 31124.00 | 40148.00 | 21978.00 | 47097.71 | 44308.50 | 35146.67 | 57881.50 | 42776.00 | 63879.00 | 49253.40 | 43188.50 | 24484.00 | 50350.00 | 47838.19 | 45281.80 | 53117.00 | 36389.00 | 44786.50 | 65410.50 | 48268.00 | 44221.40 | 39121.33 | 45353.00 | 50034.00 | 69238.00 | 43746.50 | 45334.50 | 47581.85 | 47082.17 | 46116.56 | 68185.50 | 46904.19 | 52125.80 | 24697.00 | 25925.00 | 46881.50 | 33222.00 | 44902.90 | 46924.33 | 47964.00 | 36159.00 | 45960.57 | 35216.67 | 42161.67 | 46419.20 | 46374.11 | 60885.00 | 46412.50 | 40324.50 | 36896.00 | 46660.00 | 42863.50 | 49521.00 | 46603.00 | |
| succinic acid | 333.00 | 91.00 | 382.64 | 648.75 | 484.00 | 133.00 | 229.50 | 77.00 | 239.00 | 328.86 | 218.25 | 398.33 | 441.50 | 514.00 | 141.00 | 293.80 | 80.50 | 661.00 | 276.50 | 157.38 | 443.00 | 693.00 | 528.00 | 315.72 | 69.50 | 402.00 | 303.80 | 326.17 | 89.00 | 475.00 | 104.00 | 414.00 | 314.00 | 343.59 | 454.67 | 322.44 | 520.50 | 343.94 | 141.20 | 322.00 | 483.00 | 529.50 | 660.00 | 308.80 | 172.67 | 69.00 | 451.00 | 317.29 | 204.00 | 207.00 | 369.60 | 311.17 | 82.00 | 430.25 | 491.75 | 273.50 | 104.00 | 463.25 | 482.00 | 356.00 | |
| sucrose | 115.50 | 52.00 | 182.93 | 209.00 | 346.00 | 333.00 | 92.00 | 107.00 | 422.00 | 179.71 | 130.75 | 158.67 | 91.50 | 62.00 | 109.00 | 238.80 | 163.00 | 243.00 | 209.50 | 136.38 | 211.40 | 91.00 | 152.50 | 161.33 | 133.50 | 212.00 | 220.20 | 171.67 | 101.00 | 123.00 | 23.00 | 172.00 | 144.50 | 145.88 | 58.83 | 143.89 | 124.00 | 139.12 | 100.80 | 221.00 | 274.00 | 182.50 | 99.00 | 130.90 | 147.00 | 47.00 | 247.00 | 165.05 | 321.67 | 134.00 | 180.20 | 301.67 | 87.00 | 166.25 | 281.00 | 195.50 | 105.00 | 181.25 | 224.00 | 123.00 | |
| sulfuric acid | 287.00 | 110.00 | 258.93 | 198.25 | 304.50 | 256.00 | 182.50 | 201.00 | 1753.00 | 142.93 | 169.75 | 172.00 | 161.25 | 117.00 | 83.00 | 207.40 | 127.50 | 474.00 | 281.00 | 271.31 | 286.40 | 241.00 | 179.00 | 218.67 | 263.50 | 99.00 | 180.80 | 440.00 | 108.00 | 599.00 | 181.00 | 166.75 | 270.00 | 434.12 | 203.50 | 331.67 | 117.00 | 367.00 | 147.20 | 1401.00 | 306.00 | 236.50 | 117.00 | 221.10 | 97.67 | 172.00 | 259.00 | 232.71 | 746.67 | 478.00 | 244.00 | 351.67 | 90.00 | 124.50 | 131.00 | 176.50 | 80.00 | 161.75 | 117.00 | 117.00 | |
| tagatose | 202.00 | 406.00 | 176.07 | 311.00 | 255.50 | 368.00 | 171.75 | 118.00 | 179.00 | 379.71 | 194.50 | 281.33 | 204.25 | 384.00 | 98.00 | 205.20 | 129.00 | 372.00 | 221.00 | 206.12 | 457.20 | 386.00 | 657.50 | 213.56 | 201.50 | 155.00 | 230.00 | 157.33 | 140.00 | 56.00 | 92.00 | 370.00 | 216.00 | 246.68 | 218.83 | 304.11 | 97.50 | 181.25 | 184.40 | 79.50 | 470.00 | 225.00 | 114.00 | 177.60 | 163.33 | 197.00 | 536.00 | 260.38 | 247.00 | 288.00 | 279.00 | 232.94 | 91.00 | 256.50 | 219.50 | 267.00 | 80.00 | 326.50 | 200.00 | 95.00 | |
| taurine | 3285.00 | 7896.00 | 5182.21 | 5481.50 | 6531.50 | 2170.00 | 5477.25 | 123.00 | 5915.00 | 5139.14 | 3259.50 | 5859.00 | 2253.75 | 6171.00 | 104.00 | 3226.30 | 4610.50 | 8051.00 | 4902.00 | 5618.12 | 6581.80 | 14296.00 | 8073.00 | 4113.50 | 3765.00 | 110.00 | 2742.60 | 4934.17 | 83.00 | 11508.00 | 99.00 | 5695.00 | 7011.50 | 4137.06 | 4160.00 | 6135.00 | 103.00 | 4472.00 | 4251.00 | 8230.00 | 5980.00 | 1795.00 | 86.00 | 4945.50 | 2099.33 | 3480.00 | 9668.00 | 4383.29 | 8395.67 | 14714.67 | 4091.00 | 4724.56 | 73.00 | 5185.75 | 3644.50 | 5286.00 | 93.00 | 4548.00 | 7606.00 | 143.00 | |
| threitol | 833.00 | 719.00 | 651.86 | 894.75 | 716.00 | 671.00 | 297.25 | 81.00 | 408.00 | 742.86 | 494.25 | 466.33 | 941.50 | 852.00 | 1873.00 | 1168.20 | 250.00 | 220.00 | 887.00 | 545.62 | 943.20 | 989.00 | 795.50 | 801.17 | 1102.50 | 172.00 | 532.40 | 642.33 | 843.00 | 272.00 | 1003.00 | 1307.50 | 268.00 | 625.79 | 936.33 | 794.44 | 1002.00 | 548.50 | 571.60 | 260.00 | 377.00 | 644.00 | 100.00 | 661.00 | 280.33 | 895.00 | 1320.00 | 802.33 | 739.67 | 565.33 | 705.40 | 939.22 | 1251.00 | 1366.25 | 928.00 | 801.50 | 2844.00 | 1839.50 | 1590.00 | 1058.00 | |
| threonic acid | 386.00 | 265.00 | 1387.29 | 802.50 | 1250.00 | 206.00 | 2281.00 | 2141.00 | 2725.00 | 1106.79 | 367.25 | 368.67 | 1363.00 | 2165.00 | 1540.00 | 1094.80 | 850.50 | 2588.00 | 914.50 | 2462.12 | 915.20 | 3080.00 | 581.50 | 939.56 | 488.00 | 1568.00 | 860.20 | 1469.50 | 6281.00 | 7120.00 | 1039.00 | 2108.25 | 923.50 | 1378.56 | 984.33 | 1540.00 | 498.00 | 1649.88 | 953.80 | 6163.50 | 123.00 | 1823.50 | 548.00 | 1631.50 | 2072.67 | 332.00 | 1952.00 | 1595.48 | 941.67 | 1088.33 | 1639.20 | 1985.72 | 1756.00 | 1385.50 | 1938.00 | 590.00 | 4140.00 | 2707.00 | 6174.00 | 1178.00 | |
| threonine | 14219.00 | 25739.00 | 15929.93 | 19323.50 | 13117.50 | 12435.00 | 15411.50 | 22077.00 | 16996.00 | 19403.43 | 12063.25 | 18596.67 | 9814.25 | 18721.00 | 23852.00 | 13531.10 | 11583.00 | 19569.00 | 14064.00 | 17353.25 | 17851.60 | 31755.00 | 17091.00 | 16167.56 | 14573.00 | 15192.00 | 9575.40 | 18984.17 | 1756.00 | 13463.00 | 19639.00 | 19401.25 | 23598.00 | 17796.32 | 15924.17 | 15270.78 | 6498.50 | 18912.44 | 10704.00 | 20546.00 | 17585.00 | 21298.50 | 18415.00 | 16621.10 | 14682.00 | 14403.00 | 24069.00 | 18002.05 | 21509.33 | 16648.00 | 13643.00 | 13727.06 | 21329.00 | 16669.00 | 20598.50 | 19948.50 | 14787.00 | 12310.00 | 20984.00 | 19583.00 | |
| tocopherol alpha | 1617.50 | 1419.00 | 2191.64 | 2421.75 | 2081.00 | 1655.00 | 1935.75 | 1483.00 | 4658.00 | 1889.43 | 1532.50 | 1518.33 | 3065.25 | 2132.00 | 2014.00 | 2151.60 | 1872.00 | 4223.00 | 4507.00 | 2481.19 | 2260.40 | 2196.00 | 2576.00 | 2292.78 | 2411.00 | 1370.50 | 1974.80 | 2143.83 | 3041.00 | 1833.00 | 1906.00 | 2624.75 | 2532.00 | 2170.18 | 2360.50 | 2654.11 | 2965.50 | 2413.94 | 2434.40 | 1888.00 | 1853.00 | 2182.50 | 2558.00 | 2833.00 | 3206.00 | 1197.00 | 2592.00 | 2493.67 | 1792.33 | 2041.00 | 1931.80 | 2840.94 | 1392.00 | 2778.00 | 2056.25 | 2453.50 | 4237.00 | 3022.50 | 4300.00 | 2554.00 | |
| tryptophan | 29440.00 | 32554.00 | 22911.36 | 22936.50 | 15108.00 | 19828.00 | 19255.00 | 15879.00 | 20267.00 | 22407.07 | 17772.25 | 23422.33 | 30444.00 | 29643.00 | 26868.00 | 21307.90 | 22010.00 | 13603.00 | 19229.00 | 26973.38 | 23961.40 | 32961.00 | 22856.00 | 24688.72 | 21710.00 | 23848.50 | 23369.60 | 24301.67 | 21286.00 | 23640.00 | 29568.00 | 26508.00 | 15008.50 | 23920.59 | 21757.50 | 25994.67 | 19514.00 | 26463.00 | 20931.60 | 25025.50 | 25556.00 | 32260.50 | 24283.00 | 22965.70 | 28850.00 | 21145.00 | 25589.00 | 26709.95 | 19925.67 | 23555.00 | 24092.00 | 22593.78 | 26158.00 | 26056.50 | 24180.75 | 29072.50 | 17988.00 | 31838.50 | 20728.00 | 26049.00 | |
| tyrosine | 29353.50 | 33312.00 | 23984.29 | 28068.50 | 18253.00 | 20566.00 | 22397.00 | 18643.00 | 18631.00 | 24042.43 | 21198.50 | 24608.00 | 32415.75 | 29418.00 | 30631.00 | 23267.70 | 27126.50 | 15336.00 | 22576.00 | 28957.38 | 23748.20 | 35829.00 | 27381.00 | 28285.78 | 25094.50 | 30201.00 | 27277.60 | 28064.00 | 26168.00 | 24362.00 | 28094.00 | 26019.75 | 25955.00 | 28000.79 | 23432.67 | 25925.11 | 24292.50 | 31046.94 | 22997.00 | 30491.00 | 36231.00 | 35084.00 | 29900.00 | 25795.90 | 33605.67 | 21877.00 | 40467.00 | 31699.90 | 26432.67 | 27975.67 | 27861.20 | 24569.72 | 34259.00 | 31376.75 | 31300.50 | 27742.50 | 25979.00 | 37883.50 | 25623.00 | 32786.00 | |
| urea | 399215.00 | 303804.00 | 360426.07 | 390216.25 | 454518.00 | 479342.00 | 332952.00 | 414659.00 | 461609.00 | 463551.86 | 342529.50 | 453124.67 | 425665.75 | 311015.00 | 774828.00 | 460686.60 | 281080.00 | 242600.00 | 425850.50 | 486010.25 | 466313.40 | 611167.00 | 507139.00 | 474674.89 | 554753.00 | 273015.50 | 373554.40 | 360803.67 | 447050.00 | 289501.00 | 444055.00 | 495864.75 | 315724.50 | 444312.26 | 467797.67 | 436952.00 | 445440.00 | 378624.94 | 457027.80 | 355967.00 | 551015.00 | 356625.00 | 589279.00 | 370538.80 | 506508.33 | 672114.00 | 560522.00 | 427871.57 | 296844.67 | 383803.67 | 493267.40 | 488186.06 | 642470.00 | 582873.25 | 620119.25 | 598375.50 | 763165.00 | 658245.75 | 586894.00 | 461358.00 | |
| uric acid | 16401.00 | 13222.00 | 7378.86 | 12147.75 | 9344.00 | 5062.00 | 2158.75 | 6784.00 | 135.00 | 12552.07 | 8396.00 | 20225.67 | 11173.75 | 18814.00 | 25255.00 | 9451.50 | 3209.00 | 6413.00 | 11024.00 | 8795.81 | 17849.40 | 9894.00 | 7245.00 | 11573.89 | 13122.50 | 18070.50 | 12097.40 | 6756.33 | 11489.00 | 57.00 | 9812.00 | 14544.75 | 7143.50 | 11718.59 | 12585.00 | 9416.33 | 8088.50 | 7815.88 | 10650.00 | 14864.00 | 15083.00 | 14211.50 | 14372.00 | 7297.60 | 12683.00 | 17602.00 | 19740.00 | 8454.05 | 8258.00 | 5731.67 | 12722.80 | 12235.06 | 14069.00 | 19000.50 | 15430.75 | 6805.00 | 26191.00 | 22685.75 | 18680.00 | 15072.00 | |
| uridine | 102.50 | 184.00 | 133.21 | 155.75 | 145.00 | 121.00 | 97.00 | 89.00 | 249.00 | 149.79 | 91.00 | 114.33 | 116.50 | 183.00 | 100.00 | 118.50 | 92.50 | 162.00 | 127.50 | 136.12 | 151.60 | 184.00 | 153.50 | 126.44 | 184.00 | 109.00 | 103.60 | 127.50 | 109.00 | 76.00 | 103.00 | 169.75 | 166.50 | 121.65 | 147.67 | 161.22 | 86.00 | 140.38 | 88.00 | 113.50 | 114.00 | 154.50 | 124.00 | 118.90 | 108.33 | 118.00 | 165.00 | 128.76 | 133.33 | 154.00 | 156.40 | 151.28 | 117.00 | 138.50 | 137.75 | 109.00 | 102.00 | 144.75 | 178.00 | 187.00 | |
| valine | 115673.00 | 74567.00 | 62611.57 | 70140.50 | 47399.00 | 52726.00 | 55162.25 | 57767.00 | 67441.00 | 68742.14 | 72363.50 | 71001.00 | 92489.50 | 70872.00 | 127013.00 | 69220.70 | 66231.50 | 49782.00 | 51798.50 | 79111.31 | 73933.60 | 126178.00 | 69487.00 | 82576.89 | 56194.00 | 79435.00 | 67961.40 | 66576.67 | 57100.00 | 49436.00 | 71199.00 | 64128.25 | 84390.00 | 78369.85 | 71334.33 | 72930.78 | 82736.50 | 82124.38 | 67646.20 | 76284.00 | 82106.00 | 68946.50 | 100635.00 | 64858.10 | 94588.67 | 78616.00 | 89898.00 | 81344.05 | 62947.67 | 59800.33 | 79924.60 | 70970.44 | 116014.00 | 78297.75 | 107191.00 | 85522.50 | 90963.00 | 101396.50 | 57107.00 | 84125.00 | |
| xanthine | 138.00 | 211.00 | 119.50 | 127.00 | 115.00 | 126.00 | 127.00 | 75.00 | 209.00 | 146.21 | 105.50 | 123.00 | 109.00 | 140.00 | 126.00 | 116.30 | 130.00 | 115.00 | 122.00 | 135.12 | 143.80 | 230.00 | 147.00 | 125.61 | 154.50 | 91.50 | 102.40 | 130.50 | 83.00 | 162.00 | 83.00 | 127.00 | 118.00 | 130.68 | 139.00 | 131.33 | 72.00 | 131.19 | 124.00 | 227.50 | 169.00 | 94.00 | 101.00 | 132.60 | 126.67 | 101.00 | 157.00 | 131.86 | 159.33 | 140.33 | 116.60 | 114.06 | 84.00 | 129.75 | 114.00 | 91.50 | 111.00 | 168.75 | 108.00 | 150.00 | |
| xylitol | 129.50 | 83.00 | 294.57 | 143.50 | 188.00 | 92.00 | 114.75 | 80.00 | 185.00 | 143.14 | 108.00 | 230.00 | 95.75 | 171.00 | 101.00 | 125.40 | 114.50 | 176.00 | 115.50 | 144.12 | 181.20 | 183.00 | 192.00 | 262.39 | 86.00 | 101.50 | 119.40 | 143.00 | 125.00 | 215.00 | 113.00 | 149.25 | 566.50 | 219.35 | 143.83 | 516.22 | 115.00 | 164.50 | 107.20 | 468.50 | 186.00 | 140.00 | 113.00 | 178.70 | 132.33 | 88.00 | 229.00 | 141.90 | 123.00 | 110.67 | 171.00 | 170.28 | 114.00 | 165.25 | 177.00 | 133.50 | 104.00 | 183.50 | 107.00 | 141.00 | |
| xylose | 914.50 | 1092.00 | 1339.21 | 1338.25 | 1670.50 | 1126.00 | 505.50 | 3335.00 | 1241.00 | 1334.79 | 696.50 | 1099.00 | 2033.25 | 862.00 | 2171.00 | 1621.80 | 1467.00 | 607.00 | 994.00 | 1839.25 | 1060.80 | 1249.00 | 1190.50 | 1189.06 | 2590.50 | 2316.50 | 1236.20 | 1546.50 | 8833.00 | 1253.00 | 1598.00 | 1105.25 | 1327.00 | 1589.79 | 1385.50 | 873.11 | 970.00 | 1375.12 | 890.20 | 1608.50 | 1086.00 | 2636.50 | 1004.00 | 1695.80 | 2011.67 | 1150.00 | 1376.00 | 1356.81 | 1137.67 | 596.00 | 1543.80 | 2176.50 | 2601.00 | 1533.00 | 1097.50 | 767.50 | 5118.00 | 1519.75 | 4585.00 | 1699.00 |
Factors:
| F1 | Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:- |
| F2 | Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F3 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- |
| F4 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F5 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC |
| F6 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
| F7 | Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- |
| F8 | Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma |
| F9 | Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC |
| F10 | Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- |
| F11 | Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F12 | Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
| F13 | Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- |
| F14 | Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
| F15 | Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
| F16 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- |
| F17 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F18 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC |
| F19 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
| F20 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- |
| F21 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F22 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
| F23 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
| F24 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- |
| F25 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma |
| F26 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
| F27 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
| F28 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- |
| F29 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F30 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC |
| F31 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
| F32 | Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- |
| F33 | Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma |
| F34 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- |
| F35 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F36 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
| F37 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
| F38 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- |
| F39 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma |
| F40 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
| F41 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
| F42 | Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:- |
| F43 | Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
| F44 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- |
| F45 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma |
| F46 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC |
| F47 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Squamous cell |
| F48 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- |
| F49 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
| F50 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
| F51 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
| F52 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- |
| F53 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma |
| F54 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
| F55 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
| F56 | Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:- |
| F57 | Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
| F58 | Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- |
| F59 | Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
| F60 | Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
