Data for ST000396   

(Analysis AN000633): Average values per metabolite and experimental factor (Units:Counts)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60
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:

F1Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:-
F2Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma
F3Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:-
F4Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma
F5Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC
F6Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell
F7Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:-
F8Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma
F9Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC
F10Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:-
F11Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma
F12Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell
F13Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:-
F14Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC
F15Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell
F16Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:-
F17Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma
F18Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC
F19Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell
F20Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:-
F21Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma
F22Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC
F23Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell
F24Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:-
F25Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma
F26Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC
F27Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell
F28Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:-
F29Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma
F30Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC
F31Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell
F32Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:-
F33Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma
F34Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:-
F35Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma
F36Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC
F37Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell
F38Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:-
F39Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma
F40Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC
F41Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell
F42Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:-
F43Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell
F44Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:-
F45Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma
F46Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC
F47Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Squamous cell
F48Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:-
F49Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma
F50Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC
F51Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell
F52Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:-
F53Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma
F54Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC
F55Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell
F56Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:-
F57Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC
F58Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:-
F59Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC
F60Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell
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