Data for ST000981
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,2-anhydro-myo-inositol NIST | 13769.55 | 6964.00 | 7669.00 | 12728.00 | 13573.50 | 8202.00 | 11688.00 | 13942.00 | 8732.00 | 5771.50 | 4159.50 | 639.00 | 7888.00 | 5143.00 | 2100.00 | 8211.00 | 10045.00 | 3962.20 | 449.00 | 15429.00 | 15203.00 | 7179.75 | 2701.00 | 3152.00 | 2913.00 | 5060.80 | |
| 1,5-anhydroglucitol | 10475.36 | 5540.00 | 5932.50 | 6455.00 | 29177.00 | 33467.00 | 13979.00 | 13560.00 | 60525.00 | 17592.00 | 27523.00 | 3075.00 | 25052.00 | 3253.00 | 3654.00 | 5011.00 | 8214.00 | 4671.00 | 72489.00 | 16840.00 | 15112.00 | 87237.25 | 4890.00 | 7097.00 | 12523.00 | 114827.80 | |
| 1-hexadecanol | 1683.91 | 922.00 | 919.00 | 809.00 | 1397.50 | 1033.00 | 312.00 | 271.00 | 1714.00 | 571.00 | 349.50 | 352.00 | 301.50 | 359.00 | 2481.00 | 1030.00 | 1059.00 | 13012.60 | 35380.00 | 335.00 | 347.00 | 1857.00 | 470.00 | 519.00 | 290.00 | 965.40 | |
| 1-kestose | 14611.64 | 74.00 | 182.00 | 283.00 | 673.00 | 511.00 | 7010.00 | 29693.50 | 857.00 | 58.50 | 114.50 | 31.00 | 684.00 | 114.00 | 92.00 | 56.00 | 257.00 | 91.20 | 1770.00 | 57830.00 | 153062.00 | 1500.50 | 48.00 | 937.00 | 268.00 | 168.60 | |
| 1-methyladenosine | 240.64 | 116.00 | 615.00 | 1055.00 | 1231.00 | 110.00 | 686.00 | 294.50 | 245.00 | 65.00 | 277.00 | 60.00 | 529.00 | 62.00 | 66.00 | 141.00 | 759.00 | 51.40 | 536.00 | 744.00 | 318.00 | 109.25 | 68.00 | 633.00 | 365.00 | 86.40 | |
| 1-monoolein | 61715.27 | 58523.00 | 11738.00 | 9279.00 | 7560.00 | 16100.00 | 9154.00 | 20650.50 | 10385.00 | 38420.50 | 32048.50 | 28333.00 | 14059.00 | 5325.00 | 41997.00 | 4702.00 | 12551.00 | 47137.40 | 30017.00 | 10685.00 | 14013.00 | 28468.75 | 29000.00 | 11031.00 | 15392.00 | 15468.80 | |
| 1-monopalmitin | 12103.82 | 11617.00 | 2695.00 | 4371.00 | 4084.50 | 10308.00 | 3871.00 | 5896.00 | 1863.00 | 8185.50 | 12070.50 | 5619.00 | 7449.50 | 13836.00 | 20096.00 | 4288.00 | 1270.00 | 6961.00 | 7611.00 | 5082.00 | 6159.00 | 3779.25 | 14790.00 | 3604.00 | 6613.00 | 9067.00 | |
| 1-monostearin | 2043.27 | 1645.50 | 1218.00 | 1698.00 | 1799.50 | 574.00 | 2186.00 | 2335.50 | 952.00 | 770.50 | 1939.50 | 1821.00 | 1371.50 | 799.00 | 2623.00 | 1598.00 | 1251.00 | 2139.60 | 1241.00 | 949.00 | 775.00 | 1133.00 | 1356.00 | 1321.00 | 886.00 | 1323.60 | |
| 2,3-dihydroxybutanoic acid NIST | 246.55 | 564.50 | 998.00 | 748.00 | 1102.00 | 222.00 | 75.00 | 73.50 | 306.00 | 64.50 | 146.00 | 205.00 | 205.00 | 1832.00 | 220.00 | 349.00 | 1606.00 | 148.00 | 214.00 | 8.00 | 180.00 | 91.75 | 166.00 | 901.00 | 884.00 | 209.80 | |
| 2,4-diaminobutyric acid | 2510.64 | 3438.50 | 2251.50 | 2516.00 | 1624.00 | 5136.00 | 290.00 | 304.00 | 333.00 | 5906.50 | 3282.50 | 12630.00 | 539.00 | 1607.00 | 2748.00 | 4331.00 | 536.00 | 3688.80 | 488.00 | 323.00 | 238.00 | 384.25 | 2252.00 | 635.00 | 917.00 | 4173.20 | |
| 2,5-dihydroxypyrazine NIST | 600.27 | 465.00 | 612.00 | 510.00 | 495.00 | 1018.00 | 1114.00 | 789.50 | 1386.00 | 475.00 | 587.50 | 423.00 | 664.00 | 1012.00 | 244.00 | 419.00 | 579.00 | 676.40 | 784.00 | 539.00 | 897.00 | 1832.25 | 573.00 | 728.00 | 794.00 | 934.60 | |
| 2,8-dihydroxyquinoline | 1886.09 | 837.00 | 1939.50 | 2270.00 | 1099.50 | 731.00 | 3841.00 | 2825.50 | 19458.00 | 636.50 | 737.50 | 264.00 | 831.00 | 327.00 | 524.00 | 1314.00 | 846.00 | 504.40 | 11307.00 | 2866.00 | 1173.00 | 5873.00 | 417.00 | 572.00 | 524.00 | 428.80 | |
| 2-deoxyerythritol | 2358.55 | 44934.00 | 62511.50 | 5228.00 | 14577.00 | 1796.00 | 360.00 | 731.50 | 4833.00 | 2600.50 | 1534.50 | 1002.00 | 1546.50 | 6618.00 | 2493.00 | 5341.00 | 12959.00 | 1740.40 | 2060.00 | 525.00 | 1270.00 | 3633.75 | 3431.00 | 3636.00 | 1857.00 | 2667.80 | |
| 2^-deoxyguanosine | 2216.55 | 1202.50 | 7525.00 | 4605.00 | 3969.50 | 908.00 | 2679.00 | 2406.50 | 1325.00 | 2086.50 | 2062.50 | 824.00 | 938.00 | 619.00 | 1568.00 | 6950.00 | 5757.00 | 2341.40 | 242.00 | 3501.00 | 1615.00 | 1246.25 | 1080.00 | 119.00 | 1382.00 | 1781.60 | |
| 2-deoxytetronic acid | 1201.82 | 1427.00 | 2894.50 | 2430.00 | 1651.50 | 1737.00 | 976.00 | 349.50 | 1114.00 | 1442.00 | 2220.00 | 901.00 | 2112.50 | 3782.00 | 1011.00 | 1036.00 | 1530.00 | 573.60 | 1848.00 | 785.00 | 812.00 | 945.25 | 2838.00 | 2082.00 | 2525.00 | 1947.80 | |
| 2-hydroxybutanoic acid | 24028.18 | 12191.00 | 29299.50 | 21093.00 | 23397.50 | 3196.00 | 4259.00 | 24019.00 | 71903.00 | 25827.50 | 30521.00 | 6951.00 | 21683.00 | 41918.00 | 4008.00 | 19922.00 | 3950.00 | 1074.20 | 23417.00 | 16893.00 | 11450.00 | 17129.50 | 6164.00 | 13098.00 | 14424.00 | 15434.20 | |
| 2-hydroxyglutaric acid | 3393.55 | 3128.00 | 5009.50 | 8740.00 | 4252.00 | 3193.00 | 10862.00 | 1999.00 | 5645.00 | 523.00 | 2423.00 | 350.00 | 3081.50 | 18220.00 | 2167.00 | 4048.00 | 3465.00 | 728.60 | 1220.00 | 16668.00 | 4090.00 | 8427.00 | 2370.00 | 8698.00 | 5350.00 | 1380.20 | |
| 2-hydroxyhexanoic acid | 27601.36 | 2063.00 | 22491.00 | 29126.00 | 21808.00 | 4728.00 | 26340.00 | 32986.00 | 27850.00 | 20826.50 | 35618.00 | 3310.00 | 45489.00 | 54689.00 | 4352.00 | 23685.00 | 2999.00 | 1107.80 | 17602.00 | 31375.00 | 51851.00 | 24764.25 | 24262.00 | 33247.00 | 51591.00 | 5820.20 | |
| 2-hydroxyvaleric acid | 3244.45 | 6734.00 | 6079.50 | 1647.00 | 6697.00 | 1034.00 | 151.00 | 2211.00 | 1320.00 | 1147.00 | 724.00 | 1311.00 | 3997.50 | 1359.00 | 1551.00 | 1170.00 | 6989.00 | 5513.80 | 1051.00 | 244.00 | 4403.00 | 2066.75 | 11290.00 | 6992.00 | 925.00 | 2686.40 | |
| 2-ketoisocaproic acid | 4519.82 | 4458.00 | 4262.00 | 5243.00 | 2970.00 | 1509.00 | 1862.00 | 1943.00 | 1216.00 | 8418.50 | 2788.00 | 2090.00 | 2485.00 | 3191.00 | 3613.00 | 7672.00 | 2729.00 | 6769.60 | 2219.00 | 1768.00 | 2160.00 | 2102.25 | 2257.00 | 2725.00 | 3003.00 | 5821.60 | |
| 2-methylglyceric acid NIST | 2324.18 | 2544.50 | 3305.50 | 1809.00 | 8074.00 | 2523.00 | 16237.00 | 1076.50 | 6003.00 | 843.00 | 7968.00 | 3663.00 | 9865.00 | 4295.00 | 1674.00 | 1376.00 | 6574.00 | 1663.80 | 2688.00 | 21961.00 | 979.00 | 791.50 | 6133.00 | 10024.00 | 3116.00 | 4585.20 | |
| 2-monoolein | 19877.18 | 8508.00 | 3241.00 | 5086.00 | 3241.00 | 9667.00 | 6892.00 | 6836.00 | 12809.00 | 6272.50 | 4438.50 | 2918.00 | 2745.50 | 3221.00 | 5727.00 | 3572.00 | 5380.00 | 10274.00 | 15437.00 | 3896.00 | 6951.00 | 5714.25 | 6912.00 | 2830.00 | 2066.00 | 2410.40 | |
| 2-monopalmitin | 10355.09 | 6353.00 | 5066.50 | 7776.00 | 4737.50 | 6094.00 | 2687.00 | 3672.50 | 5543.00 | 3181.00 | 3629.00 | 1135.00 | 5545.00 | 3461.00 | 8314.00 | 5080.00 | 3789.00 | 6977.00 | 20293.00 | 6331.00 | 2843.00 | 12959.25 | 7166.00 | 7414.00 | 1734.00 | 4884.60 | |
| 3-(3-hydroxyphenyl)propionic acid | 39821.45 | 153008.50 | 128551.00 | 66988.00 | 97860.50 | 82749.00 | 92.00 | 243.50 | 153.00 | 154444.50 | 7993.50 | 1844.00 | 483.00 | 188.00 | 166256.00 | 141543.00 | 146537.00 | 109675.60 | 1634.00 | 189.00 | 44.00 | 292.75 | 181388.00 | 374.00 | 386.00 | 4543.20 | |
| 3,4-dihydroxybenzoic acid | 6312.64 | 8601.50 | 13858.00 | 11266.00 | 11231.50 | 10365.00 | 3135.00 | 2297.50 | 4290.00 | 31904.50 | 14403.50 | 10137.00 | 2624.00 | 4076.00 | 4812.00 | 14490.00 | 20760.00 | 3868.40 | 2291.00 | 3029.00 | 3033.00 | 2874.00 | 27085.00 | 7362.00 | 3516.00 | 26917.20 | |
| 3,4-dihydroxycinnamic acid | 4744.55 | 2117.00 | 5348.50 | 10612.00 | 9482.50 | 5609.00 | 1759.00 | 5242.50 | 1346.00 | 2513.50 | 2134.50 | 903.00 | 30357.00 | 2517.00 | 505.00 | 3837.00 | 3482.00 | 1266.00 | 22954.00 | 2745.00 | 2202.00 | 1200.00 | 3455.00 | 18852.00 | 1929.00 | 2708.20 | |
| 3,4-dihydroxyhydrocinnamic acid NIST | 34848.91 | 20165.00 | 30487.50 | 31242.00 | 12834.00 | 32218.00 | 26758.00 | 25742.50 | 44143.00 | 6769.00 | 198418.50 | 197157.00 | 49830.00 | 34545.00 | 14987.00 | 25660.00 | 1307.00 | 17247.80 | 49189.00 | 29642.00 | 24201.00 | 43883.00 | 8299.00 | 123831.00 | 69950.00 | 364010.40 | |
| 3,4-dihydroxyphenylacetic acid | 818.82 | 1821.00 | 2248.50 | 1137.00 | 1268.00 | 1716.00 | 223.00 | 425.00 | 724.00 | 8819.00 | 1757.50 | 1626.00 | 752.00 | 723.00 | 549.00 | 1435.00 | 3602.00 | 744.40 | 1140.00 | 501.00 | 760.00 | 1206.50 | 20565.00 | 1015.00 | 180.00 | 3375.20 | |
| 3-(4-hydroxyphenyl)propionic acid | 24380.45 | 84455.50 | 44039.00 | 38407.00 | 33747.00 | 39160.00 | 2309.00 | 3955.00 | 10735.00 | 38994.50 | 16175.00 | 20627.00 | 7947.50 | 16390.00 | 56409.00 | 88407.00 | 87127.00 | 73790.20 | 18082.00 | 3371.00 | 3240.00 | 8118.25 | 33386.00 | 11516.00 | 8867.00 | 19097.40 | |
| 3,6-anhydro-D-galactose | 3727.09 | 2584.50 | 2789.50 | 2577.00 | 3034.50 | 6147.00 | 2903.00 | 2737.50 | 4175.00 | 3491.50 | 3289.00 | 2195.00 | 3670.00 | 3349.00 | 1809.00 | 2769.00 | 1759.00 | 1941.80 | 7336.00 | 2799.00 | 2740.00 | 4316.75 | 4446.00 | 2228.00 | 2993.00 | 3065.00 | |
| 3-aminoisobutyric acid | 1919.64 | 2729.50 | 2268.50 | 1079.00 | 1315.50 | 832.00 | 89.00 | 3274.00 | 2721.00 | 5848.50 | 5645.00 | 5099.00 | 3009.50 | 7288.00 | 6725.00 | 2732.00 | 4965.00 | 5032.00 | 974.00 | 107.00 | 3084.00 | 1350.75 | 5559.00 | 5168.00 | 2642.00 | 4265.60 | |
| 3-hydroxy-3-methylglutaric acid | 350.91 | 870.00 | 1618.00 | 2505.00 | 928.50 | 272.00 | 129.00 | 77.00 | 177.00 | 441.00 | 536.50 | 417.00 | 318.00 | 1246.00 | 5028.00 | 632.00 | 1725.00 | 110.00 | 600.00 | 143.00 | 103.00 | 148.25 | 1988.00 | 631.00 | 354.00 | 636.80 | |
| 3-hydroxybutyric acid | 23819.18 | 3308.00 | 5618.50 | 10127.00 | 5125.50 | 5093.00 | 11722.00 | 4100.50 | 2845.00 | 14712.00 | 9657.00 | 3568.00 | 2700.00 | 5744.00 | 3520.00 | 12965.00 | 1798.00 | 2513.80 | 1058.00 | 10693.00 | 15584.00 | 7784.00 | 20986.00 | 9136.00 | 10616.00 | 7958.80 | |
| 3-hydroxypalmitic acid | 2078.27 | 4755.00 | 1493.00 | 2652.00 | 3169.00 | 5646.00 | 894.00 | 971.50 | 1991.00 | 3152.50 | 1930.50 | 2213.00 | 485.00 | 687.00 | 4809.00 | 3384.00 | 1621.00 | 6866.60 | 5266.00 | 1971.00 | 929.00 | 49197.75 | 4645.00 | 605.00 | 1255.00 | 8428.20 | |
| 3-hydroxyphenylacetic acid | 1304.27 | 3289.00 | 628.50 | 207.00 | 278.50 | 673.00 | 21.00 | 78.00 | 138.00 | 8654.50 | 178.00 | 161.00 | 125.50 | 440.00 | 1423.00 | 289.00 | 3275.00 | 8303.60 | 730.00 | 65.00 | 41.00 | 915.00 | 718.00 | 152.00 | 278.00 | 245.00 | |
| 3-hydroxypropionic acid | 6475.91 | 1079.50 | 5104.50 | 9670.00 | 8578.50 | 1426.00 | 850.00 | 1791.00 | 23526.00 | 2331.50 | 24344.00 | 859.00 | 31169.50 | 6220.00 | 1497.00 | 6133.00 | 329.00 | 1363.40 | 2770.00 | 918.00 | 1373.00 | 12421.50 | 20162.00 | 16490.00 | 28648.00 | 2303.20 | |
| 3-phenyllactic acid | 10810.00 | 2288.00 | 10060.00 | 17758.00 | 11738.50 | 6256.00 | 4736.00 | 4605.50 | 23160.00 | 12946.50 | 21190.00 | 2799.00 | 37579.50 | 50765.00 | 4906.00 | 12731.00 | 1074.00 | 1600.00 | 3821.00 | 6595.00 | 12880.00 | 2688.50 | 41143.00 | 43851.00 | 44885.00 | 9670.60 | |
| 4-aminobutyric acid | 32731.64 | 2870.00 | 4754.50 | 4089.00 | 63342.00 | 8889.00 | 18349.00 | 40820.50 | 113143.00 | 18922.00 | 15957.50 | 6165.00 | 17464.50 | 26066.00 | 9975.00 | 3020.00 | 14553.00 | 1967.40 | 4836.00 | 52548.00 | 31474.00 | 20018.50 | 57235.00 | 16185.00 | 8707.00 | 11430.40 | |
| 4-hydroxybenzoate | 12324.36 | 31956.00 | 21029.00 | 25400.00 | 18833.00 | 32316.00 | 2244.00 | 3843.50 | 11641.00 | 32225.50 | 20741.50 | 25981.00 | 6894.50 | 12991.00 | 17764.00 | 24039.00 | 19980.00 | 6085.40 | 3463.00 | 4153.00 | 1726.00 | 9862.25 | 24965.00 | 12571.00 | 16494.00 | 23577.80 | |
| 4-hydroxybutyric acid | 2136.09 | 2955.50 | 1571.00 | 2753.00 | 4640.00 | 8014.00 | 1569.00 | 2161.00 | 1933.00 | 1069.50 | 1057.00 | 375.00 | 1068.00 | 1176.00 | 1136.00 | 1992.00 | 1811.00 | 1206.80 | 1876.00 | 2098.00 | 2240.00 | 1547.25 | 1203.00 | 905.00 | 1072.00 | 762.80 | |
| 4-hydroxyhippuric acid NIST | 297.82 | 2627.00 | 2483.00 | 896.00 | 3383.50 | 1647.00 | 226.00 | 145.50 | 1879.00 | 229.00 | 249.00 | 273.00 | 107.50 | 846.00 | 1156.00 | 848.00 | 8944.00 | 283.60 | 967.00 | 255.00 | 211.00 | 940.75 | 43.00 | 1062.00 | 334.00 | 402.60 | |
| 4-hydroxyphenylacetic acid | 47496.09 | 91346.50 | 77813.00 | 83893.00 | 56976.00 | 162332.00 | 3580.00 | 7437.00 | 32997.00 | 131067.00 | 59136.50 | 104896.00 | 13221.50 | 23135.00 | 79258.00 | 101291.00 | 98439.00 | 20397.40 | 48150.00 | 6975.00 | 6135.00 | 96375.50 | 93354.00 | 27440.00 | 33533.00 | 187335.00 | |
| 4-methyl-5-thiazoleethanol | 5721.27 | 7894.00 | 11020.00 | 8211.00 | 9778.00 | 2137.00 | 9723.00 | 5691.50 | 5514.00 | 7760.50 | 14600.00 | 8336.00 | 16875.00 | 10439.00 | 9138.00 | 1278.00 | 6036.00 | 9197.40 | 8316.00 | 3886.00 | 6736.00 | 8259.00 | 18547.00 | 16148.00 | 29381.00 | 12994.40 | |
| 5,6-dihydrouracil major | 430.64 | 170.50 | 738.00 | 2461.00 | 831.00 | 6347.00 | 163.00 | 178.00 | 334.00 | 186.50 | 257.00 | 205.00 | 245.00 | 499.00 | 2020.00 | 412.00 | 366.00 | 222.00 | 455.00 | 189.00 | 164.00 | 659.50 | 945.00 | 141.00 | 423.00 | 820.20 | |
| 5-aminovaleric acid | 340689.27 | 361099.50 | 331161.00 | 388298.00 | 182819.00 | 425133.00 | 6771.00 | 114315.00 | 878571.00 | 508184.50 | 367791.00 | 789952.00 | 107760.50 | 395066.00 | 294024.00 | 404140.00 | 21496.00 | 257154.80 | 302934.00 | 119785.00 | 2240.00 | 1083281.25 | 550911.00 | 37861.00 | 203251.00 | 314934.60 | |
| 6-deoxyglucose | 42090.45 | 14494.50 | 24984.00 | 17505.00 | 31358.00 | 10720.00 | 23424.00 | 13031.50 | 4179.00 | 9597.50 | 21294.00 | 5864.00 | 40533.00 | 23253.00 | 18939.00 | 22908.00 | 42468.00 | 15770.40 | 21694.00 | 16368.00 | 21254.00 | 83828.00 | 67901.00 | 20471.00 | 31474.00 | 7962.40 | |
| 6-hydroxynicotinic acid | 1259.73 | 6449.00 | 1653.50 | 998.00 | 1056.00 | 1014.00 | 162.00 | 216.00 | 763.00 | 2880.50 | 805.50 | 1524.00 | 376.50 | 294.00 | 4320.00 | 1107.00 | 1658.00 | 943.40 | 2418.00 | 255.00 | 225.00 | 1329.00 | 2988.00 | 524.00 | 673.00 | 2433.60 | |
| acetophenone NIST | 2420.27 | 1997.00 | 2244.00 | 2961.00 | 1991.00 | 1332.00 | 4030.00 | 4096.50 | 3630.00 | 3413.00 | 2825.00 | 3369.00 | 5810.00 | 1411.00 | 2178.00 | 2852.00 | 1587.00 | 3969.80 | 5303.00 | 4681.00 | 3648.00 | 3988.75 | 2855.00 | 2906.00 | 4804.00 | 5083.20 | |
| adenine | 11750.00 | 9294.00 | 28132.00 | 26516.00 | 32328.00 | 8178.00 | 6106.00 | 5066.00 | 3593.00 | 21264.00 | 12503.00 | 6454.00 | 17200.50 | 14180.00 | 9280.00 | 25972.00 | 52613.00 | 5310.60 | 1850.00 | 9506.00 | 11043.00 | 1661.25 | 18090.00 | 32845.00 | 21656.00 | 6773.00 | |
| adenosine | 1227.18 | 218.00 | 787.50 | 732.00 | 1214.50 | 211.00 | 839.00 | 927.50 | 1692.00 | 293.00 | 127.00 | 62.00 | 354.00 | 94.00 | 99.00 | 554.00 | 1585.00 | 418.60 | 2140.00 | 581.00 | 1750.00 | 2701.75 | 211.00 | 206.00 | 128.00 | 154.60 | |
| adipic acid | 1072.00 | 1655.50 | 1097.00 | 1196.00 | 1433.00 | 1809.00 | 724.00 | 572.50 | 1387.00 | 1619.00 | 1006.00 | 1589.00 | 860.00 | 1206.00 | 1541.00 | 754.00 | 1716.00 | 2041.80 | 1321.00 | 745.00 | 1231.00 | 1647.00 | 2071.00 | 1539.00 | 1678.00 | 2162.00 | |
| alanine | 703784.64 | 822236.50 | 923949.00 | 647967.00 | 735260.50 | 603226.00 | 125120.00 | 327686.50 | 351927.00 | 834168.00 | 508211.00 | 1243494.00 | 484427.50 | 797002.00 | 858918.00 | 1093786.00 | 625969.00 | 661337.80 | 266278.00 | 180296.00 | 174760.00 | 302981.50 | 647189.00 | 489700.00 | 741274.00 | 681792.20 | |
| alanine-alanine | 19928.55 | 18483.00 | 23346.00 | 23723.00 | 22881.50 | 38547.00 | 16389.00 | 19020.00 | 10373.00 | 52781.00 | 33614.00 | 29299.00 | 22072.00 | 42837.00 | 21987.00 | 25649.00 | 10313.00 | 13952.60 | 4793.00 | 31477.00 | 11452.00 | 21204.25 | 45497.00 | 9418.00 | 21742.00 | 23171.60 | |
| allantoic acid | 8840.36 | 9539.00 | 16869.00 | 5914.00 | 32141.50 | 447.00 | 7346.00 | 5830.00 | 16877.00 | 733.50 | 4520.00 | 432.00 | 5408.50 | 26522.00 | 6850.00 | 9415.00 | 12542.00 | 7917.00 | 825.00 | 4835.00 | 7235.00 | 2290.50 | 403.00 | 3701.00 | 21313.00 | 2065.40 | |
| alpha-ketoglutarate | 1136.00 | 1216.00 | 1505.00 | 1923.00 | 663.50 | 506.00 | 109.00 | 83.00 | 1962.00 | 824.50 | 320.50 | 561.00 | 213.00 | 2910.00 | 601.00 | 2693.00 | 1827.00 | 944.60 | 3726.00 | 79.00 | 104.00 | 14023.75 | 118.00 | 180.00 | 360.00 | 855.80 | |
| aminomalonate | 5824.27 | 2135.00 | 2454.50 | 2021.00 | 2321.00 | 4560.00 | 1158.00 | 1974.00 | 505.00 | 1407.00 | 5410.00 | 1072.00 | 7217.50 | 1491.00 | 2076.00 | 6592.00 | 1061.00 | 2662.20 | 874.00 | 1284.00 | 2044.00 | 1195.75 | 2257.00 | 5437.00 | 5266.00 | 1790.40 | |
| arachidic acid | 12076.73 | 17224.00 | 15818.50 | 14356.00 | 17480.50 | 14779.00 | 20202.00 | 34992.50 | 15360.00 | 12453.50 | 19882.00 | 8678.00 | 18523.00 | 17847.00 | 12966.00 | 15901.00 | 16999.00 | 19750.60 | 37890.00 | 20139.00 | 15935.00 | 21908.50 | 18463.00 | 34323.00 | 10701.00 | 18687.00 | |
| arachidonic acid | 14084.73 | 9418.50 | 9285.50 | 8566.00 | 8750.50 | 13642.00 | 10161.00 | 12964.50 | 11986.00 | 8116.50 | 10380.50 | 12108.00 | 8100.50 | 12011.00 | 11738.00 | 7167.00 | 5262.00 | 39267.00 | 22993.00 | 8553.00 | 4764.00 | 29471.25 | 13204.00 | 8188.00 | 6191.00 | 26782.40 | |
| asparagine | 1970.82 | 3123.50 | 1953.00 | 3267.00 | 2492.00 | 4481.00 | 2561.00 | 1665.00 | 2751.00 | 1272.00 | 2321.00 | 4623.00 | 3213.00 | 2136.00 | 1431.00 | 916.00 | 1480.00 | 2251.20 | 2360.00 | 1200.00 | 1138.00 | 4406.25 | 1885.00 | 2198.00 | 4174.00 | 2810.40 | |
| asparagine dehydrated | 1218.82 | 1498.50 | 1191.50 | 2381.00 | 1907.50 | 4184.00 | 2305.00 | 1429.00 | 2532.00 | 768.50 | 1781.00 | 1479.00 | 2371.50 | 1869.00 | 1243.00 | 414.00 | 1043.00 | 862.20 | 2222.00 | 1010.00 | 997.00 | 4244.50 | 1556.00 | 1638.00 | 2961.00 | 1751.60 | |
| behenic acid | 6843.09 | 14582.00 | 13100.00 | 9568.00 | 12334.00 | 9239.00 | 9762.00 | 19175.50 | 10916.00 | 8788.00 | 12235.00 | 12897.00 | 10499.00 | 11339.00 | 4454.00 | 13136.00 | 12254.00 | 12916.00 | 22026.00 | 14091.00 | 5946.00 | 6930.50 | 10246.00 | 18542.00 | 6543.00 | 9525.00 | |
| benzoic acid | 6135.45 | 7048.50 | 4431.50 | 5984.00 | 5151.00 | 3205.00 | 3284.00 | 3158.00 | 6327.00 | 3696.00 | 3854.00 | 2504.00 | 3436.50 | 11208.00 | 2137.00 | 4050.00 | 2960.00 | 6226.20 | 7783.00 | 3237.00 | 6407.00 | 4356.50 | 3269.00 | 6664.00 | 5872.00 | 5020.60 | |
| beta-alanine | 6165.64 | 3735.00 | 8215.00 | 1635.00 | 2380.00 | 1951.00 | 206.00 | 342.50 | 4217.00 | 15804.50 | 3626.00 | 16855.00 | 559.50 | 1978.00 | 19473.00 | 13510.00 | 3305.00 | 5378.60 | 1047.00 | 280.00 | 242.00 | 1664.25 | 17922.00 | 548.00 | 2914.00 | 17806.00 | |
| beta-gentiobiose | 12949.45 | 1605.00 | 1962.50 | 4212.00 | 3628.50 | 3840.00 | 9963.00 | 15085.50 | 11712.00 | 5294.50 | 1085.00 | 975.00 | 7488.50 | 2840.00 | 655.00 | 2981.00 | 2470.00 | 2093.00 | 22046.00 | 12308.00 | 23039.00 | 9766.50 | 1392.00 | 4924.00 | 1069.00 | 3760.80 | |
| beta-glutamic acid | 3770.73 | 247.50 | 447.50 | 84.00 | 3564.00 | 20.00 | 582.00 | 275.50 | 2329.00 | 494.00 | 47.00 | 3823.00 | 211.50 | 3870.00 | 975.00 | 171.00 | 2071.00 | 759.40 | 71560.00 | 547.00 | 30.00 | 82453.50 | 141.00 | 157.00 | 252.00 | 1750.00 | |
| beta-mannosylglycerate | 4158.18 | 1796.00 | 1169.50 | 1556.00 | 2691.50 | 1849.00 | 6835.00 | 9159.50 | 4378.00 | 2382.00 | 1380.50 | 359.00 | 854.00 | 1225.00 | 1271.00 | 646.00 | 1349.00 | 2484.40 | 3156.00 | 5148.00 | 23835.00 | 7112.00 | 1733.00 | 2379.00 | 1037.00 | 2869.60 | |
| beta-sitosterol | 144332.64 | 199266.50 | 217456.50 | 11878.00 | 161891.50 | 282529.00 | 186754.00 | 191080.50 | 279741.00 | 371014.50 | 175731.00 | 216339.00 | 286260.50 | 1142.00 | 48295.00 | 255430.00 | 326920.00 | 147082.80 | 30839.00 | 297769.00 | 201920.00 | 346192.00 | 4676.00 | 359988.00 | 3158.00 | 335922.20 | |
| biphenyl | 489.73 | 1128.50 | 513.50 | 587.00 | 348.00 | 871.00 | 422.00 | 307.50 | 962.00 | 1564.50 | 409.00 | 436.00 | 499.50 | 159.00 | 630.00 | 157.00 | 279.00 | 2265.80 | 283.00 | 415.00 | 399.00 | 913.75 | 281.00 | 79.00 | 237.00 | 1059.20 | |
| butane-2,3-diol NIST | 12770.27 | 4540.00 | 3421.50 | 4289.00 | 4135.50 | 4646.00 | 3178.00 | 5624.00 | 4180.00 | 6076.50 | 55634.00 | 2966.00 | 49862.00 | 6850.00 | 1882.00 | 4122.00 | 1440.00 | 3101.80 | 3083.00 | 4062.00 | 8836.00 | 5840.25 | 66142.00 | 9682.00 | 23149.00 | 4840.40 | |
| butyrolactam NIST | 5816.45 | 1281.00 | 1666.50 | 1522.00 | 1095.50 | 1986.00 | 3680.00 | 9442.50 | 17708.00 | 4025.00 | 3469.00 | 4626.00 | 3340.50 | 6093.00 | 763.00 | 1446.00 | 601.00 | 1641.00 | 2498.00 | 9700.00 | 6238.00 | 3822.25 | 8030.00 | 3573.00 | 2266.00 | 3078.00 | |
| capric acid | 597.09 | 509.00 | 269.00 | 555.00 | 348.00 | 476.00 | 514.00 | 392.50 | 566.00 | 435.50 | 489.50 | 408.00 | 462.00 | 312.00 | 392.00 | 305.00 | 434.00 | 504.40 | 1188.00 | 417.00 | 819.00 | 547.75 | 499.00 | 793.00 | 478.00 | 438.40 | |
| caprylic acid | 1150.64 | 620.00 | 1170.00 | 1101.00 | 1176.50 | 399.00 | 928.00 | 965.00 | 1498.00 | 638.00 | 794.00 | 795.00 | 990.50 | 840.00 | 370.00 | 613.00 | 478.00 | 1016.80 | 2306.00 | 1176.00 | 1322.00 | 1204.50 | 1048.00 | 1300.00 | 1390.00 | 878.60 | |
| cellobiose | 9888.18 | 17023.00 | 20274.50 | 39188.00 | 8202.50 | 29772.00 | 247769.00 | 49012.00 | 8553.00 | 1721.50 | 3054.00 | 823.00 | 5643.50 | 3300.00 | 3517.00 | 37705.00 | 5859.00 | 8607.40 | 11868.00 | 3566.00 | 3977.00 | 6373.75 | 3444.00 | 1043.00 | 5422.00 | 3202.20 | |
| cerotinic acid | 298.45 | 691.00 | 1099.00 | 864.00 | 829.50 | 467.00 | 1142.00 | 1362.00 | 769.00 | 295.50 | 818.00 | 366.00 | 617.50 | 442.00 | 253.00 | 341.00 | 787.00 | 594.00 | 1088.00 | 1130.00 | 1515.00 | 760.25 | 719.00 | 833.00 | 513.00 | 545.40 | |
| chenodeoxycholic acid | 2823.18 | 1740.00 | 1472.00 | 7900.00 | 3195.00 | 4928.00 | 860.00 | 979.00 | 5663.00 | 942.00 | 2689.50 | 1116.00 | 2829.50 | 2097.00 | 4472.00 | 1524.00 | 3112.00 | 14789.60 | 11041.00 | 3070.00 | 1427.00 | 10433.50 | 5347.00 | 3278.00 | 2837.00 | 8808.80 | |
| cholesterol | 216968.27 | 216839.50 | 207426.50 | 183192.00 | 167566.50 | 228768.00 | 126982.00 | 160684.50 | 200138.00 | 331931.50 | 214208.00 | 221904.00 | 156588.50 | 233778.00 | 192715.00 | 158441.00 | 137716.00 | 335873.20 | 383277.00 | 132024.00 | 107264.00 | 331454.50 | 333516.00 | 143354.00 | 106417.00 | 421888.60 | |
| cholic acid | 82073.45 | 1003.50 | 32479.50 | 233868.00 | 120879.00 | 2786.00 | 32241.00 | 36322.50 | 395170.00 | 4681.50 | 78182.50 | 1214.00 | 136095.50 | 74106.00 | 979.00 | 20879.00 | 82345.00 | 22530.40 | 1051021.00 | 82158.00 | 35095.00 | 186261.75 | 188454.00 | 145661.00 | 481.00 | 19614.00 | |
| cis-gondoic acid | 1478.55 | 810.50 | 514.50 | 816.00 | 1078.50 | 1381.00 | 702.00 | 1794.00 | 761.00 | 588.00 | 1246.00 | 245.00 | 963.50 | 1138.00 | 2462.00 | 517.00 | 827.00 | 3134.00 | 2560.00 | 1073.00 | 803.00 | 1526.00 | 1813.00 | 1906.00 | 663.00 | 1793.60 | |
| cis-sinapinic acid | 892.91 | 244.00 | 663.00 | 797.00 | 835.00 | 562.00 | 125.00 | 668.50 | 2491.00 | 158.00 | 1350.50 | 179.00 | 579.50 | 182.00 | 55.00 | 1425.00 | 763.00 | 324.60 | 7494.00 | 79.00 | 416.00 | 3236.00 | 270.00 | 961.00 | 742.00 | 367.60 | |
| citric acid | 7261.27 | 3390.00 | 7315.00 | 1468.00 | 3083.50 | 555.00 | 238.00 | 109.50 | 612.00 | 230.50 | 99.00 | 222.00 | 89.50 | 868.00 | 1132.00 | 470.00 | 6213.00 | 259.60 | 1703.00 | 239.00 | 187.00 | 569.25 | 138.00 | 601.00 | 320.00 | 360.40 | |
| citrulline | 11916.82 | 15609.00 | 13568.00 | 7697.00 | 8619.00 | 10672.00 | 2989.00 | 3159.00 | 5575.00 | 11186.50 | 5458.00 | 10816.00 | 5370.00 | 7467.00 | 9230.00 | 17422.00 | 9292.00 | 15281.80 | 3303.00 | 1400.00 | 3157.00 | 9370.00 | 4397.00 | 2968.00 | 8095.00 | 10529.80 | |
| conduritol-beta-epoxide | 1556.18 | 167.50 | 459.00 | 785.00 | 1242.00 | 224.00 | 935.00 | 1983.50 | 864.00 | 483.00 | 3897.00 | 180.00 | 8458.00 | 680.00 | 117.00 | 380.00 | 192.00 | 184.40 | 71.00 | 402.00 | 2442.00 | 4921.50 | 20.00 | 4213.00 | 6759.00 | 1123.80 | |
| creatinine | 24705.00 | 63189.50 | 17514.00 | 12588.00 | 16656.00 | 15932.00 | 28766.00 | 9427.50 | 44646.00 | 4059.00 | 6585.00 | 4795.00 | 14812.50 | 930.00 | 12023.00 | 6841.00 | 32062.00 | 7897.00 | 9538.00 | 7153.00 | 70214.00 | 7969.50 | 1981.00 | 9874.00 | 113584.00 | 22691.40 | |
| cysteine | 4903.64 | 3690.00 | 3794.00 | 5885.00 | 6118.00 | 8963.00 | 10255.00 | 9019.50 | 15036.00 | 5202.00 | 8637.50 | 5302.00 | 12340.00 | 5511.00 | 2967.00 | 2424.00 | 2286.00 | 3262.00 | 5900.00 | 6124.00 | 9259.00 | 14059.50 | 6816.00 | 7204.00 | 11356.00 | 8503.80 | |
| cystine | 873.91 | 129.00 | 215.50 | 309.00 | 371.50 | 879.00 | 2144.00 | 2402.00 | 484.00 | 793.50 | 637.00 | 85.00 | 1887.00 | 414.00 | 166.00 | 200.00 | 437.00 | 354.00 | 1786.00 | 525.00 | 1141.00 | 1406.25 | 1122.00 | 680.00 | 632.00 | 288.40 | |
| cytosin | 1098.18 | 539.50 | 1197.00 | 2842.00 | 2557.00 | 1400.00 | 1066.00 | 149.00 | 551.00 | 1031.00 | 1441.50 | 471.00 | 1907.50 | 1730.00 | 506.00 | 1757.00 | 2614.00 | 393.60 | 542.00 | 953.00 | 358.00 | 872.50 | 558.00 | 1863.00 | 2935.00 | 1743.20 | |
| daidzein | 545.18 | 67.00 | 420.00 | 625.00 | 689.50 | 131.00 | 1159.00 | 974.50 | 377.00 | 250.50 | 566.50 | 135.00 | 1545.50 | 189.00 | 118.00 | 379.00 | 353.00 | 89.00 | 266.00 | 1017.00 | 1146.00 | 2359.50 | 240.00 | 1894.00 | 1364.00 | 178.40 | |
| deoxycholic acid | 45323.18 | 144593.00 | 113683.50 | 64478.00 | 56778.00 | 4842.00 | 132.00 | 273.00 | 1329.00 | 133205.50 | 149356.00 | 2860.00 | 5847.00 | 5161.00 | 15443.00 | 57204.00 | 19780.00 | 313008.20 | 16475.00 | 202.00 | 2475.00 | 899.50 | 3749.00 | 9972.00 | 35.00 | 211602.80 | |
| D-erythro-sphingosine | 16971.55 | 6543.00 | 5822.50 | 1891.00 | 3839.00 | 4108.00 | 3177.00 | 7053.50 | 4165.00 | 11674.50 | 9345.00 | 3106.00 | 11154.50 | 3623.00 | 8790.00 | 6568.00 | 3519.00 | 48508.80 | 4072.00 | 2855.00 | 1370.00 | 5971.75 | 4704.00 | 892.00 | 2853.00 | 14530.00 | |
| diglycerol | 3208.73 | 2933.00 | 4037.50 | 3610.00 | 3576.00 | 6511.00 | 5317.00 | 2360.50 | 5155.00 | 1807.50 | 4524.00 | 2376.00 | 5024.00 | 6185.00 | 2650.00 | 2920.00 | 5837.00 | 6074.80 | 2725.00 | 2817.00 | 3236.00 | 7722.25 | 4564.00 | 7129.00 | 8259.00 | 3871.60 | |
| dihydrocholesterol | 3066.82 | 4085.50 | 2472.00 | 2538.00 | 1060.00 | 444.00 | 1122.00 | 1316.50 | 2691.00 | 5411.00 | 3133.50 | 3265.00 | 1864.00 | 3609.00 | 5700.00 | 1678.00 | 1182.00 | 15453.00 | 7293.00 | 1612.00 | 964.00 | 6287.75 | 8079.00 | 1937.00 | 1448.00 | 7516.20 | |
| docosahexaenoic acid | 2010.55 | 2770.50 | 2236.00 | 1857.00 | 2041.50 | 3258.00 | 1474.00 | 907.50 | 1706.00 | 5834.50 | 3590.00 | 3185.00 | 1449.00 | 2250.00 | 992.00 | 1919.00 | 1783.00 | 13839.00 | 5715.00 | 398.00 | 1265.00 | 3514.75 | 4742.00 | 1825.00 | 343.00 | 7339.00 | |
| erythritol | 19157.45 | 23931.00 | 29265.00 | 40811.00 | 42906.00 | 21932.00 | 18795.00 | 13422.50 | 58581.00 | 5755.00 | 19040.50 | 8047.00 | 23397.00 | 56960.00 | 6374.00 | 17435.00 | 52994.00 | 6661.80 | 60553.00 | 21319.00 | 11649.00 | 48868.50 | 4854.00 | 44122.00 | 35430.00 | 6892.00 | |
| erythrose | 315.64 | 321.00 | 476.00 | 558.00 | 524.00 | 660.00 | 660.00 | 515.00 | 625.00 | 245.50 | 1023.50 | 144.00 | 804.50 | 436.00 | 123.00 | 333.00 | 329.00 | 168.40 | 238.00 | 280.00 | 901.00 | 308.25 | 254.00 | 894.00 | 505.00 | 236.40 | |
| ethanolamine | 31753.55 | 30962.50 | 42618.00 | 74156.00 | 67551.50 | 31220.00 | 13935.00 | 21880.00 | 13506.00 | 16472.00 | 15190.50 | 35924.00 | 18174.50 | 32990.00 | 23987.00 | 31740.00 | 36620.00 | 27030.80 | 10640.00 | 14453.00 | 21690.00 | 13058.50 | 18979.00 | 54424.00 | 47817.00 | 14985.60 | |
| ferulic acid | 4584.36 | 4921.50 | 7020.50 | 18398.00 | 8530.00 | 6040.00 | 312.00 | 530.50 | 572.00 | 1587.50 | 5635.00 | 722.00 | 3141.50 | 2588.00 | 1220.00 | 6083.00 | 6322.00 | 2336.20 | 51727.00 | 358.00 | 342.00 | 863.00 | 5406.00 | 14464.00 | 2283.00 | 1758.40 | |
| fructose | 13090.64 | 5049.00 | 8007.00 | 9689.00 | 21368.00 | 12158.00 | 5603.00 | 1241.00 | 582.00 | 8465.50 | 9209.50 | 612.00 | 19235.50 | 987.00 | 2528.00 | 7503.00 | 20437.00 | 6220.40 | 1913.00 | 1734.00 | 6215.00 | 1343.25 | 6258.00 | 19800.00 | 4227.00 | 5822.80 | |
| fucose | 144739.55 | 134287.50 | 109853.50 | 93923.00 | 143870.00 | 81674.00 | 42250.00 | 41738.00 | 54510.00 | 131283.00 | 208417.00 | 54105.00 | 227078.50 | 49699.00 | 29394.00 | 61902.00 | 38284.00 | 80180.80 | 78160.00 | 74199.00 | 35491.00 | 79978.00 | 63839.00 | 201052.00 | 229455.00 | 57020.80 | |
| fumaric acid | 2428.27 | 3318.00 | 3745.50 | 4610.00 | 2101.00 | 2717.00 | 1592.00 | 1433.50 | 3149.00 | 1968.50 | 2333.00 | 4017.00 | 1115.00 | 7372.00 | 1046.00 | 2272.00 | 2459.00 | 2099.80 | 3783.00 | 2543.00 | 1541.00 | 3372.50 | 1620.00 | 2018.00 | 3523.00 | 3792.80 | |
| galactinol | 36883.00 | 2883.50 | 3552.00 | 6975.00 | 5805.00 | 3110.00 | 430786.00 | 205923.00 | 65868.00 | 1244.50 | 1695.50 | 1385.00 | 4201.50 | 11980.00 | 2299.00 | 3731.00 | 6532.00 | 1468.40 | 23237.00 | 275539.00 | 456876.00 | 8140.00 | 4529.00 | 4761.00 | 3009.00 | 1374.60 | |
| galactonic acid | 996.18 | 708.00 | 546.00 | 922.00 | 1044.50 | 1060.00 | 4724.00 | 4160.00 | 789.00 | 558.50 | 1030.00 | 431.00 | 1254.50 | 651.00 | 809.00 | 1217.00 | 333.00 | 324.60 | 740.00 | 2464.00 | 1648.00 | 1285.25 | 1621.00 | 1195.00 | 1344.00 | 730.00 | |
| galactose | 335744.18 | 72889.50 | 50920.00 | 94667.00 | 50738.50 | 56930.00 | 987538.00 | 630294.50 | 175994.00 | 135822.50 | 101369.00 | 112792.00 | 134282.50 | 9998.00 | 106831.00 | 85492.00 | 20600.00 | 97845.40 | 164648.00 | 17617.00 | 1304419.00 | 257370.50 | 138003.00 | 224367.00 | 18184.00 | 75402.20 | |
| galacturonic acid | 7568.91 | 3944.00 | 18078.50 | 20250.00 | 9111.00 | 1015.00 | 11281.00 | 18891.50 | 1985.00 | 493.00 | 2571.50 | 477.00 | 1026.00 | 701.00 | 2617.00 | 14766.00 | 7471.00 | 2071.80 | 2461.00 | 9183.00 | 12990.00 | 10952.50 | 9683.00 | 417.00 | 2162.00 | 932.60 | |
| glucoheptulose | 4344.00 | 807.50 | 850.50 | 3837.00 | 2025.50 | 8868.00 | 613.00 | 11623.50 | 22985.00 | 694.50 | 1667.00 | 285.00 | 1256.00 | 1216.00 | 167.00 | 641.00 | 859.00 | 994.40 | 4415.00 | 626.00 | 425.00 | 629.50 | 434.00 | 5387.00 | 1211.00 | 614.60 | |
| gluconic acid | 906.00 | 331.00 | 288.50 | 672.00 | 481.00 | 257.00 | 5734.00 | 4610.50 | 422.00 | 293.00 | 127.50 | 95.00 | 398.00 | 316.00 | 232.00 | 186.00 | 1014.00 | 119.60 | 112.00 | 2941.00 | 2001.00 | 746.25 | 105.00 | 298.00 | 35.00 | 125.00 | |
| glucose | 335748.18 | 113871.00 | 112087.50 | 158988.00 | 190601.00 | 243291.00 | 507984.00 | 447959.50 | 33497.00 | 116674.50 | 79466.50 | 24402.00 | 108925.00 | 54926.00 | 20370.00 | 125820.00 | 147346.00 | 67440.40 | 34326.00 | 388883.00 | 505751.00 | 77596.25 | 26155.00 | 56196.00 | 57101.00 | 57574.80 | |
| glucose-1-phosphate | 1943.64 | 867.50 | 1773.00 | 2804.00 | 2076.50 | 2397.00 | 3230.00 | 2510.00 | 1922.00 | 1191.50 | 3104.00 | 331.00 | 3134.00 | 2477.00 | 845.00 | 1109.00 | 2599.00 | 1126.20 | 3919.00 | 2567.00 | 3046.00 | 4791.25 | 1231.00 | 1841.00 | 1370.00 | 4369.00 | |
| glutamic acid | 127533.09 | 141647.00 | 179044.50 | 145002.00 | 176724.50 | 218545.00 | 26366.00 | 40732.50 | 111936.00 | 83781.50 | 132044.00 | 106293.00 | 121685.50 | 311417.00 | 159481.00 | 241842.00 | 102141.00 | 111864.60 | 249703.00 | 11521.00 | 14859.00 | 485647.50 | 85732.00 | 66045.00 | 202210.00 | 95504.00 | |
| glutamine | 10799.00 | 9302.50 | 4689.50 | 4026.00 | 4007.00 | 11710.00 | 1674.00 | 1153.00 | 4090.00 | 3462.00 | 3248.00 | 5892.00 | 8017.00 | 6762.00 | 6643.00 | 2370.00 | 3912.00 | 14953.60 | 2764.00 | 946.00 | 1356.00 | 3877.50 | 1421.00 | 1863.00 | 2246.00 | 5773.40 | |
| glutaric acid | 383.27 | 574.50 | 540.00 | 372.00 | 607.50 | 487.00 | 127.00 | 54.00 | 214.00 | 623.50 | 246.00 | 471.00 | 153.50 | 228.00 | 1791.00 | 403.00 | 536.00 | 519.00 | 1138.00 | 119.00 | 147.00 | 350.75 | 1251.00 | 155.00 | 153.00 | 475.20 | |
| glyceric acid | 16122.18 | 17123.00 | 18033.50 | 9472.00 | 21063.00 | 5258.00 | 8175.00 | 7028.50 | 5345.00 | 4312.50 | 7742.00 | 5441.00 | 5578.00 | 13495.00 | 6526.00 | 13613.00 | 2445158.00 | 8508.60 | 7438.00 | 6624.00 | 7224.00 | 7020.75 | 3436.00 | 10736.00 | 10816.00 | 5563.00 | |
| glycerol | 97284.00 | 107084.00 | 66271.00 | 58803.00 | 70664.50 | 42043.00 | 26063.00 | 122144.00 | 25102.00 | 42011.00 | 60241.00 | 60507.00 | 39926.50 | 91335.00 | 56328.00 | 74056.00 | 43506.00 | 71713.00 | 37517.00 | 27406.00 | 80641.00 | 28091.75 | 52799.00 | 44975.00 | 70380.00 | 37044.80 | |
| glycerol-3-galactoside | 20454.73 | 3141.00 | 5941.00 | 6091.00 | 30821.00 | 13350.00 | 46601.00 | 117338.00 | 12835.00 | 3524.00 | 3668.50 | 3221.00 | 14767.00 | 8243.00 | 3354.00 | 8374.00 | 17572.00 | 3489.00 | 17958.00 | 19870.00 | 104583.00 | 16279.00 | 2759.00 | 10544.00 | 5066.00 | 2568.40 | |
| glycerol-alpha-phosphate | 1530.09 | 1563.00 | 1792.00 | 3874.00 | 2804.00 | 3279.00 | 1375.00 | 2045.50 | 3408.00 | 1249.00 | 2457.00 | 1249.00 | 2941.50 | 2631.00 | 745.00 | 1378.00 | 1515.00 | 1332.20 | 1805.00 | 1848.00 | 4085.00 | 2760.25 | 1209.00 | 5020.00 | 2342.00 | 1438.40 | |
| glycine | 91499.27 | 103551.50 | 88340.00 | 58143.00 | 121828.00 | 111956.00 | 20867.00 | 33955.00 | 13268.00 | 33197.50 | 69241.50 | 56571.00 | 115510.50 | 117175.00 | 59324.00 | 87330.00 | 111565.00 | 57613.80 | 51194.00 | 24618.00 | 33927.00 | 31628.00 | 51099.00 | 109384.00 | 120290.00 | 79429.80 | |
| glycolic acid | 6658.73 | 4090.50 | 5216.00 | 5912.00 | 3963.00 | 4506.00 | 2162.00 | 2156.00 | 3859.00 | 6371.00 | 4650.50 | 5969.00 | 4241.00 | 2407.00 | 3110.00 | 6774.00 | 1353.00 | 3862.40 | 5551.00 | 3663.00 | 515.00 | 6368.50 | 3445.00 | 2837.00 | 2189.00 | 7249.20 | |
| glycyl-proline | 5918.55 | 5523.50 | 7498.00 | 11653.00 | 11690.00 | 21168.00 | 13499.00 | 12370.00 | 2047.00 | 7431.00 | 4388.50 | 7297.00 | 4898.50 | 3129.00 | 20058.00 | 1770.00 | 456.00 | 22150.00 | 1246.00 | 6248.00 | 11469.00 | 8498.50 | 2061.00 | 3080.00 | 5107.00 | 7397.00 | |
| guanine | 5284.45 | 6019.00 | 11766.00 | 9189.00 | 8858.00 | 8793.00 | 5182.00 | 2301.00 | 2001.00 | 5703.50 | 8695.50 | 6581.00 | 6195.00 | 8568.00 | 4394.00 | 9251.00 | 13856.00 | 4145.00 | 812.00 | 5724.00 | 4169.00 | 1039.25 | 6029.00 | 8405.00 | 14689.00 | 4536.20 | |
| guanosine | 769.36 | 203.50 | 699.00 | 457.00 | 229.50 | 118.00 | 3973.00 | 3002.00 | 1063.00 | 73.00 | 53.00 | 91.00 | 28.50 | 95.00 | 60.00 | 93.00 | 562.00 | 813.00 | 326.00 | 2958.00 | 2159.00 | 1218.00 | 60.00 | 66.00 | 46.00 | 219.80 | |
| heptadecanoic acid | 14938.45 | 24396.00 | 14664.50 | 11209.00 | 8931.50 | 14075.00 | 16326.00 | 23910.00 | 13124.00 | 8733.00 | 12081.50 | 6123.00 | 10125.00 | 12395.00 | 13047.00 | 16945.00 | 13655.00 | 32323.00 | 32836.00 | 9870.00 | 11109.00 | 19198.25 | 14133.00 | 22435.00 | 8165.00 | 19057.60 | |
| hexadecylglycerol NIST | 2394.00 | 2461.00 | 2536.50 | 2441.00 | 2743.00 | 3313.00 | 400.00 | 2787.50 | 2929.00 | 1614.00 | 2918.50 | 2171.00 | 2310.00 | 1666.00 | 3321.00 | 2738.00 | 2914.00 | 5348.40 | 1751.00 | 3334.00 | 1475.00 | 5689.75 | 2965.00 | 2079.00 | 1961.00 | 2893.80 | |
| hexitol | 2440.64 | 2309.50 | 1938.50 | 1427.00 | 1834.50 | 2442.00 | 181.00 | 2795.00 | 1866.00 | 816.00 | 1163.50 | 1800.00 | 2385.00 | 10025.00 | 828.00 | 654.00 | 3196.00 | 1870.20 | 1039.00 | 4332.00 | 399.00 | 3948.25 | 358.00 | 2115.00 | 2590.00 | 1017.80 | |
| histidine | 22294.27 | 21438.00 | 14263.00 | 5014.00 | 14871.50 | 5412.00 | 4120.00 | 20692.00 | 84377.00 | 12791.50 | 17780.50 | 12412.00 | 35933.00 | 19254.00 | 10246.00 | 8284.00 | 23596.00 | 15590.20 | 10024.00 | 1647.00 | 3549.00 | 44375.25 | 5485.00 | 4666.00 | 13294.00 | 6749.80 | |
| homoserine | 2276.00 | 4245.00 | 3002.50 | 2855.00 | 3329.50 | 2883.00 | 1108.00 | 1392.00 | 1843.00 | 4119.50 | 2179.00 | 4226.00 | 1759.00 | 2878.00 | 2487.00 | 2608.00 | 2152.00 | 2900.80 | 1073.00 | 927.00 | 1057.00 | 894.25 | 3098.00 | 1897.00 | 3568.00 | 3010.00 | |
| homovanillic acid | 661.55 | 143.50 | 1672.50 | 935.00 | 105.00 | 126.00 | 43.00 | 36.50 | 99.00 | 456.50 | 64.50 | 72.00 | 124.00 | 165.00 | 89.00 | 116.00 | 449.00 | 230.00 | 3919.00 | 71.00 | 88.00 | 1172.25 | 39.00 | 1731.00 | 148.00 | 884.20 | |
| hydrocinnamic acid | 12914.82 | 24717.00 | 12144.50 | 4335.00 | 8503.00 | 2140.00 | 4488.00 | 7821.50 | 5643.00 | 7727.50 | 8612.00 | 8845.00 | 9770.50 | 1862.00 | 10395.00 | 10576.00 | 8405.00 | 93681.20 | 6376.00 | 7584.00 | 4185.00 | 2816.25 | 3487.00 | 9171.00 | 9080.00 | 12483.40 | |
| hydroxylamine | 66872.91 | 71807.50 | 113285.50 | 121371.00 | 94752.00 | 25328.00 | 103322.00 | 60973.50 | 92361.00 | 55803.00 | 72923.50 | 61809.00 | 70890.00 | 96848.00 | 24440.00 | 93271.00 | 122922.00 | 58069.60 | 274262.00 | 43086.00 | 110496.00 | 111515.50 | 112441.00 | 115474.00 | 91745.00 | 103386.20 | |
| hypoxanthine | 24715.64 | 57190.50 | 28498.50 | 24441.00 | 5939.50 | 47256.00 | 10554.00 | 3485.00 | 18234.00 | 24677.50 | 27850.00 | 17883.00 | 15066.50 | 28959.00 | 11669.00 | 25851.00 | 15413.00 | 34786.40 | 3687.00 | 12538.00 | 8387.00 | 12411.75 | 19405.00 | 11530.00 | 33105.00 | 28598.40 | |
| indole-3-acetate | 13793.27 | 27895.50 | 23732.00 | 11044.00 | 16544.50 | 20430.00 | 1399.00 | 1958.50 | 5408.00 | 19502.00 | 10413.50 | 18987.00 | 2803.50 | 8584.00 | 19212.00 | 19609.00 | 19356.00 | 11333.60 | 4562.00 | 2331.00 | 1627.00 | 22166.25 | 19255.00 | 4959.00 | 5372.00 | 20868.60 | |
| indole-3-lactate | 61838.64 | 157999.00 | 102678.50 | 111488.00 | 90944.50 | 174821.00 | 36764.00 | 15021.50 | 102119.00 | 181564.00 | 127253.50 | 80574.00 | 117418.50 | 65124.00 | 119259.00 | 124966.00 | 131844.00 | 188893.80 | 75418.00 | 52946.00 | 49034.00 | 109699.00 | 226012.00 | 90003.00 | 112091.00 | 174014.20 | |
| inosine | 792.55 | 349.00 | 1745.50 | 280.00 | 363.50 | 306.00 | 3823.00 | 4313.50 | 1744.00 | 56.50 | 62.50 | 421.00 | 65.50 | 539.00 | 148.00 | 130.00 | 759.00 | 1246.40 | 1032.00 | 1582.00 | 1981.00 | 1556.00 | 29.00 | 262.00 | 58.00 | 262.20 | |
| inositol-4-monophosphate | 186.73 | 2758.50 | 731.00 | 512.00 | 615.50 | 413.00 | 146.00 | 246.00 | 411.00 | 334.50 | 200.50 | 204.00 | 81.50 | 879.00 | 811.00 | 323.00 | 1640.00 | 906.80 | 332.00 | 136.00 | 136.00 | 327.50 | 408.00 | 149.00 | 110.00 | 610.00 | |
| isoleucine | 282952.18 | 416725.50 | 443684.50 | 237636.00 | 256539.00 | 156059.00 | 106283.00 | 145224.50 | 70000.00 | 369841.50 | 225068.50 | 534667.00 | 228923.50 | 365305.00 | 390809.00 | 379818.00 | 186553.00 | 327328.80 | 104461.00 | 99268.00 | 92525.00 | 57024.25 | 375271.00 | 203031.00 | 391233.00 | 384825.80 | |
| isomaltose | 89681.18 | 672.50 | 1927.00 | 2932.00 | 10924.50 | 11278.00 | 309657.00 | 342579.00 | 6057.00 | 1259.50 | 1125.00 | 354.00 | 12237.50 | 989.00 | 115.00 | 839.00 | 4564.00 | 7540.80 | 2779.00 | 240097.00 | 529690.00 | 36858.00 | 468.00 | 3536.00 | 636.00 | 533.80 | |
| isopentadecanoic acid | 42621.64 | 92448.50 | 43170.00 | 40489.00 | 30323.50 | 42366.00 | 32810.00 | 27187.00 | 49252.00 | 16243.00 | 130859.50 | 18120.00 | 49187.50 | 26190.00 | 86863.00 | 56797.00 | 44950.00 | 128832.00 | 10430.00 | 24276.00 | 26049.00 | 22800.25 | 13383.00 | 22416.00 | 32637.00 | 30770.60 | |
| isothreonic acid | 1572.55 | 4607.00 | 3090.50 | 2857.00 | 6293.50 | 1610.00 | 1654.00 | 783.50 | 1636.00 | 321.50 | 762.00 | 790.00 | 1477.50 | 3568.00 | 1136.00 | 1143.00 | 10092.00 | 543.00 | 3634.00 | 1058.00 | 1733.00 | 2437.00 | 888.00 | 2359.00 | 556.00 | 810.80 | |
| ketohexose | 686.18 | 327.50 | 564.50 | 763.00 | 973.00 | 612.00 | 393.00 | 689.00 | 477.00 | 302.00 | 559.00 | 175.00 | 294.50 | 236.00 | 132.00 | 1333.00 | 787.00 | 187.60 | 602.00 | 403.00 | 629.00 | 379.25 | 256.00 | 156.00 | 231.00 | 224.60 | |
| lactamide | 1353.45 | 55.50 | 401.00 | 452.00 | 958.00 | 104.00 | 5441.00 | 6368.00 | 2180.00 | 267.50 | 6168.50 | 77.00 | 6083.50 | 775.00 | 65.00 | 376.00 | 35.00 | 46.00 | 773.00 | 4881.00 | 7820.00 | 1693.00 | 437.00 | 3013.00 | 3519.00 | 212.80 | |
| lactic acid | 761159.09 | 5184.00 | 294824.00 | 381004.00 | 963277.50 | 25134.00 | 1103164.00 | 1095231.00 | 897705.00 | 186194.00 | 742120.00 | 15082.00 | 1587476.50 | 578516.00 | 7374.00 | 224210.00 | 6442.00 | 5023.40 | 288190.00 | 1319197.00 | 1514659.00 | 232932.00 | 291145.00 | 1067482.00 | 1057887.00 | 109308.00 | |
| lactose | 1960.91 | 855.00 | 556.50 | 5282.00 | 4159.50 | 4645.00 | 36222.00 | 19306.50 | 1193.00 | 172.50 | 124.50 | 75.00 | 261.00 | 541.00 | 128.00 | 1551.00 | 7022.00 | 1365.40 | 991.00 | 17636.00 | 25149.00 | 1784.75 | 79.00 | 123.00 | 313.00 | 342.80 | |
| lanosterol | 956.91 | 497.50 | 823.50 | 3872.00 | 1060.50 | 57.00 | 559.00 | 216.50 | 957.00 | 533.00 | 760.00 | 824.00 | 68.00 | 1671.00 | 153.00 | 700.00 | 1144.00 | 2145.60 | 101.00 | 914.00 | 478.00 | 1412.25 | 205.00 | 1332.00 | 17.00 | 875.20 | |
| leucine | 366891.55 | 522588.50 | 631297.50 | 351547.00 | 425629.50 | 262569.00 | 234831.00 | 246252.00 | 139897.00 | 470063.50 | 278090.50 | 1162806.00 | 296078.00 | 523083.00 | 515898.00 | 390563.00 | 305765.00 | 414919.00 | 162810.00 | 108699.00 | 214707.00 | 112427.75 | 458610.00 | 355841.00 | 760321.00 | 517700.00 | |
| levoglucosan | 1409.80 | 1173.50 | 783.50 | 1425.00 | 1166.50 | 1085.00 | 1705.00 | 746.00 | 5100.00 | 2621.50 | 1500.50 | 212.00 | 985.00 | 878.00 | 166.00 | 2906.00 | 1085.00 | 532.60 | 1967.00 | 802.00 | 1351.00 | 5409.25 | 71.00 | 1383.00 | 1290.00 | 1760.80 | |
| lignoceric acid | 1563.09 | 3729.50 | 4344.00 | 2975.00 | 4923.00 | 2899.00 | 5087.00 | 7702.50 | 3291.00 | 2103.50 | 4242.50 | 2016.00 | 3977.50 | 2607.00 | 1851.00 | 1191.00 | 4614.00 | 4110.80 | 6050.00 | 5071.00 | 3848.00 | 2766.75 | 3543.00 | 6622.00 | 2278.00 | 3228.60 | |
| linoleic acid | 34991.91 | 50134.50 | 20260.50 | 14512.00 | 21392.50 | 19116.00 | 20761.00 | 30834.00 | 19021.00 | 27880.00 | 26418.50 | 25932.00 | 16381.50 | 21833.00 | 26663.00 | 21446.00 | 19387.00 | 60722.60 | 28250.00 | 24418.00 | 5463.00 | 13512.50 | 25608.00 | 20605.00 | 14237.00 | 29149.20 | |
| linolenic acid | 9052.91 | 20633.00 | 14944.00 | 6030.00 | 14452.50 | 13854.00 | 19768.00 | 24822.00 | 16657.00 | 2293.00 | 5166.50 | 7909.00 | 10892.00 | 4703.00 | 26154.00 | 13243.00 | 1730.00 | 32814.80 | 28207.00 | 9326.00 | 15711.00 | 9513.75 | 17629.00 | 18421.00 | 13678.00 | 15446.80 | |
| lysine | 145246.09 | 113544.00 | 142572.50 | 73634.00 | 149142.50 | 61094.00 | 27326.00 | 33267.00 | 33296.00 | 183902.00 | 81778.50 | 78112.00 | 121794.50 | 68867.00 | 83591.00 | 103404.00 | 116647.00 | 198060.40 | 11134.00 | 26214.00 | 30863.00 | 52954.75 | 56409.00 | 34749.00 | 63298.00 | 90757.00 | |
| lyxitol | 15224.00 | 18926.50 | 19114.50 | 16609.00 | 35470.50 | 10014.00 | 23475.00 | 8452.00 | 18260.00 | 3708.00 | 20820.50 | 7226.00 | 50813.50 | 45735.00 | 6467.00 | 3251.00 | 48868.00 | 5860.20 | 11888.00 | 19308.00 | 20823.00 | 8304.00 | 8674.00 | 32458.00 | 34821.00 | 3821.00 | |
| lyxose | 85837.27 | 122561.50 | 20113.00 | 65113.00 | 13936.00 | 66192.00 | 15405.00 | 4290.00 | 7061.00 | 74305.50 | 123785.50 | 3421.00 | 5715.50 | 6369.00 | 3159.00 | 118802.00 | 46273.00 | 17150.00 | 12893.00 | 6435.00 | 6782.00 | 30728.25 | 57571.00 | 15084.00 | 738.00 | 14057.80 | |
| maleimide | 2865.27 | 1440.50 | 1618.50 | 1898.00 | 1877.00 | 3039.00 | 2407.00 | 2019.00 | 3934.00 | 1582.50 | 2192.00 | 918.00 | 3170.00 | 2080.00 | 754.00 | 1492.00 | 1085.00 | 2363.40 | 3066.00 | 1637.00 | 2117.00 | 5103.75 | 1238.00 | 1877.00 | 2080.00 | 2566.40 | |
| malic acid | 578.45 | 458.00 | 670.00 | 442.00 | 675.00 | 858.00 | 228.00 | 126.50 | 206.00 | 160.00 | 346.50 | 154.00 | 358.00 | 1937.00 | 136.00 | 143.00 | 611.00 | 318.80 | 250.00 | 339.00 | 120.00 | 274.75 | 476.00 | 334.00 | 1105.00 | 521.40 | |
| malonic acid | 130.18 | 584.50 | 277.00 | 468.00 | 355.00 | 410.00 | 132.00 | 124.50 | 206.00 | 269.00 | 187.50 | 193.00 | 125.50 | 158.00 | 231.00 | 228.00 | 95.00 | 304.00 | 563.00 | 168.00 | 135.00 | 344.50 | 307.00 | 227.00 | 122.00 | 261.40 | |
| maltitol | 1313.36 | 223.00 | 423.00 | 239.00 | 590.00 | 323.00 | 7544.00 | 2068.00 | 793.00 | 650.50 | 174.00 | 108.00 | 450.00 | 64.00 | 85.00 | 647.00 | 136.00 | 342.40 | 384.00 | 1366.00 | 2673.00 | 997.75 | 150.00 | 852.00 | 348.00 | 313.20 | |
| maltose | 62928.82 | 22713.00 | 89538.50 | 43022.00 | 192228.00 | 154840.00 | 123535.00 | 82666.50 | 10633.00 | 13226.00 | 8697.50 | 10122.00 | 35471.00 | 152459.00 | 9076.00 | 67407.00 | 342213.00 | 20293.20 | 4026.00 | 45786.00 | 247470.00 | 11412.25 | 3033.00 | 7900.00 | 41820.00 | 16613.40 | |
| maltotriitol | 1151.55 | 37.00 | 161.50 | 382.00 | 2318.00 | 1121.00 | 3823.00 | 2660.00 | 2949.00 | 34.00 | 40.00 | 51.00 | 534.50 | 96.00 | 26.00 | 71.00 | 497.00 | 512.60 | 19.00 | 1960.00 | 4745.00 | 344.50 | 163.00 | 213.00 | 24.00 | 63.40 | |
| maltotriose | 2224.36 | 141.00 | 1067.50 | 1379.00 | 3793.00 | 1481.00 | 6244.00 | 8909.00 | 2969.00 | 252.50 | 212.50 | 329.00 | 606.50 | 3050.00 | 129.00 | 633.00 | 10792.00 | 315.00 | 2342.00 | 1907.00 | 12810.00 | 4696.00 | 256.00 | 588.00 | 66.00 | 517.40 | |
| mannose | 146037.64 | 27855.00 | 10489.00 | 10498.00 | 45145.50 | 36987.00 | 143469.00 | 600019.50 | 52672.00 | 30430.00 | 20291.50 | 5766.00 | 10701.50 | 2742.00 | 2198.00 | 10533.00 | 6498.00 | 33450.80 | 24261.00 | 1555487.00 | 4674.00 | 239121.75 | 27243.00 | 42208.00 | 4581.00 | 15387.20 | |
| melezitose | 906.18 | 104.50 | 96.50 | 73.00 | 120.00 | 161.00 | 14966.00 | 10551.00 | 1801.00 | 89.00 | 104.50 | 27.00 | 715.00 | 41.00 | 182.00 | 106.00 | 69.00 | 149.20 | 287.00 | 19399.00 | 5400.00 | 4058.75 | 324.00 | 771.00 | 126.00 | 59.00 | |
| melibiose | 1118.00 | 33.50 | 75.50 | 46.00 | 581.50 | 505.00 | 1352.00 | 3108.50 | 357.00 | 31.50 | 667.00 | 23.00 | 947.50 | 26.00 | 42.00 | 15.00 | 142.00 | 277.20 | 97.00 | 1560.00 | 1411.00 | 735.50 | 51.00 | 44.00 | - | 64.80 | |
| methanolphosphate | 993.09 | 323.50 | 520.00 | 99.00 | 157.00 | 753.00 | 1300.00 | 1128.00 | 1285.00 | 768.50 | 1197.00 | 601.00 | 779.00 | 96.00 | 619.00 | 1110.00 | 174.00 | 1098.40 | 2580.00 | 1267.00 | 1698.00 | 713.75 | 141.00 | 1385.00 | 1336.00 | 510.60 | |
| methionine | 26067.18 | 67312.00 | 65367.50 | 34130.00 | 50450.50 | 71773.00 | 13653.00 | 15215.00 | 25722.00 | 60690.00 | 27537.50 | 52722.00 | 22905.00 | 60724.00 | 65804.00 | 42596.00 | 46592.00 | 45120.00 | 23995.00 | 13928.00 | 8339.00 | 19740.50 | 34408.00 | 12060.00 | 47197.00 | 59068.00 | |
| methionine sulfoxide | 25149.73 | 39845.50 | 22967.50 | 9685.00 | 25646.50 | 12838.00 | 3790.00 | 5842.00 | 5559.00 | 18239.00 | 15979.00 | 22014.00 | 12159.50 | 24816.00 | 18707.00 | 18150.00 | 22447.00 | 22193.60 | 8932.00 | 3761.00 | 2118.00 | 8109.25 | 20850.00 | 6003.00 | 9663.00 | 18835.80 | |
| monomyristin | 635.45 | 691.00 | 183.50 | 94.00 | 164.00 | 597.00 | 153.00 | 194.00 | 201.00 | 306.00 | 726.50 | 366.00 | 266.00 | 707.00 | 254.00 | 115.00 | 100.00 | 587.00 | 572.00 | 110.00 | 182.00 | 206.25 | 581.00 | 193.00 | 201.00 | 319.20 | |
| myo-inositol | 36279.91 | 7675.00 | 24852.00 | 13904.00 | 25410.50 | 9829.00 | 14858.00 | 72098.50 | 23878.00 | 14838.00 | 27286.50 | 12488.00 | 60744.00 | 97357.00 | 5630.00 | 10593.00 | 16614.00 | 5135.00 | 3698.00 | 4215.00 | 6312.00 | 26700.25 | 7531.00 | 45405.00 | 47169.00 | 4503.20 | |
| myristic acid | 4637.73 | 3818.50 | 2421.00 | 1947.00 | 2039.50 | 2650.00 | 4007.00 | 4667.00 | 4156.00 | 3760.00 | 4331.50 | 2278.00 | 2691.50 | 3581.00 | 3429.00 | 3550.00 | 2323.00 | 15302.60 | 5488.00 | 2627.00 | 2609.00 | 6414.75 | 3583.00 | 3249.00 | 2335.00 | 7122.80 | |
| N-acetylaspartic acid | 6249.73 | 7615.00 | 12630.50 | 17287.00 | 8394.00 | 4070.00 | 702.00 | 1163.50 | 696.00 | 3047.00 | 4748.50 | 2252.00 | 4374.50 | 10046.00 | 2758.00 | 5725.00 | 3350.00 | 1365.00 | 2831.00 | 2049.00 | 928.00 | 2386.00 | 2492.00 | 4279.00 | 4071.00 | 2842.80 | |
| N-acetyl-D-galactosamine | 31785.18 | 32313.00 | 38180.50 | 34434.00 | 28342.00 | 36526.00 | 2099.00 | 6687.00 | 5831.00 | 31052.50 | 25782.50 | 11503.00 | 15666.50 | 21780.00 | 6340.00 | 73010.00 | 14901.00 | 26675.60 | 5298.00 | 7958.00 | 2570.00 | 13321.00 | 8631.00 | 18611.00 | 6040.00 | 23743.60 | |
| n-acetyl-d-hexosamine | 3175.55 | 2589.50 | 2879.50 | 3424.00 | 5059.00 | 5606.00 | 4090.00 | 6115.50 | 898.00 | 3026.00 | 2280.50 | 698.00 | 5550.00 | 1479.00 | 607.00 | 3121.00 | 4839.00 | 1235.80 | 10041.00 | 2893.00 | 10588.00 | 3203.00 | 3331.00 | 3439.00 | 1703.00 | 1199.60 | |
| N-acetyl-D-mannosamine | 17417.64 | 14434.00 | 14875.00 | 10897.00 | 10814.00 | 23052.00 | 4441.00 | 24703.50 | 14445.00 | 16673.50 | 24743.50 | 4181.00 | 21568.00 | 34237.00 | 1176.00 | 30790.00 | 9167.00 | 8586.20 | 1814.00 | 8358.00 | 1885.00 | 13288.75 | 2213.00 | 16182.00 | 14392.00 | 10717.00 | |
| N-acetylglutamate | 396.09 | 595.00 | 614.00 | 398.00 | 708.00 | 1009.00 | 218.00 | 128.50 | 532.00 | 665.50 | 236.50 | 894.00 | 1273.00 | 3350.00 | 438.00 | 761.00 | 1126.00 | 332.60 | 650.00 | 338.00 | 222.00 | 1107.75 | 518.00 | 968.00 | 405.00 | 585.80 | |
| N-acetylornithine | 2135.73 | 1595.00 | 1220.50 | 1029.00 | 1271.50 | 1300.00 | 291.00 | 313.50 | 1000.00 | 1892.50 | 2391.50 | 658.00 | 3683.50 | 803.00 | 1028.00 | 1663.00 | 456.00 | 2511.60 | 1423.00 | 407.00 | 178.00 | 1937.75 | 4287.00 | 696.00 | 1114.00 | 3689.60 | |
| N-acetylputrescine | 3551.73 | 2768.00 | 7722.50 | 4676.00 | 5852.50 | 3806.00 | 16407.00 | 16633.50 | 12201.00 | 8179.00 | 10760.00 | 2427.00 | 42698.50 | 2376.00 | 13445.00 | 3739.00 | 3799.00 | 13114.40 | 4210.00 | 13062.00 | 11896.00 | 6197.50 | 57018.00 | 1573.00 | 2816.00 | 12336.80 | |
| nicotinic acid | 17161.82 | 23099.00 | 28256.50 | 30478.00 | 13236.00 | 29367.00 | 6287.00 | 8355.00 | 12797.00 | 18912.50 | 21495.50 | 13161.00 | 14725.00 | 25521.00 | 16862.00 | 30442.00 | 6175.00 | 12169.40 | 7885.00 | 6488.00 | 5967.00 | 15719.25 | 23542.00 | 11580.00 | 21039.00 | 17471.40 | |
| N-methylalanine | 51419.55 | 86667.00 | 58793.00 | 52292.00 | 46892.50 | 51194.00 | 2743.00 | 29425.00 | 78821.00 | 181457.50 | 37564.00 | 241196.00 | 6273.50 | 126742.00 | 166262.00 | 70539.00 | 16418.00 | 117944.60 | 33642.00 | 20583.00 | 4320.00 | 24321.50 | 12805.00 | 3955.00 | 17132.00 | 73141.80 | |
| nonadecanoic acid | 3329.55 | 3844.00 | 3380.50 | 3430.00 | 2573.50 | 3537.00 | 3648.00 | 4891.50 | 4703.00 | 1840.50 | 3384.50 | 1565.00 | 3041.00 | 3004.00 | 1958.00 | 3632.00 | 1748.00 | 5059.00 | 2513.00 | 1793.00 | 976.00 | 3816.75 | 2777.00 | 4720.00 | 3302.00 | 3637.00 | |
| norleucine | 1298.27 | 6512.00 | 1219.00 | 2604.00 | 2994.50 | 11704.00 | 4444.00 | 133.00 | 314.00 | 1177.00 | 2219.00 | 666.00 | 2469.50 | 763.00 | 2418.00 | 2155.00 | 14867.00 | 1814.80 | 458.00 | 6284.00 | 141.00 | 298.50 | 460.00 | 13041.00 | 3097.00 | 759.20 | |
| norvaline | 4816.91 | 6700.00 | 3448.50 | 5480.00 | 5370.50 | 29304.00 | 605.00 | 1106.00 | 1885.00 | 57154.00 | 7328.00 | 82664.00 | 684.50 | 2321.00 | 5094.00 | 9336.00 | 769.00 | 4446.20 | 4530.00 | 396.00 | 1233.00 | 951.25 | 2143.00 | 1205.00 | 2656.00 | 3965.00 | |
| O-acetylserine | 534.55 | 511.50 | 817.50 | 1719.00 | 700.00 | 755.00 | 905.00 | 833.00 | 1109.00 | 579.50 | 475.00 | 583.00 | 607.50 | 489.00 | 139.00 | 480.00 | 263.00 | 537.20 | 792.00 | 718.00 | 715.00 | 573.75 | 3107.00 | 449.00 | 214.00 | 611.60 | |
| octadecanol | 1457.55 | 1312.00 | 1360.50 | 689.00 | 1003.00 | 678.00 | 446.00 | 451.50 | 850.00 | 887.50 | 655.00 | 379.00 | 599.00 | 558.00 | 1047.00 | 1339.00 | 855.00 | 5944.40 | 19001.00 | 448.00 | 719.00 | 3014.00 | 854.00 | 682.00 | 498.00 | 1889.40 | |
| octadecylglycerol | 8199.64 | 11446.50 | 6920.00 | 5127.00 | 4537.00 | 6971.00 | 4568.00 | 6981.50 | 5150.00 | 9991.50 | 4868.00 | 10526.00 | 3236.50 | 6735.00 | 7024.00 | 9511.00 | 6219.00 | 25008.60 | 4463.00 | 7686.00 | 7885.00 | 4876.00 | 8851.00 | 3040.00 | 2915.00 | 14393.60 | |
| oleamide NIST | 4547.18 | 3707.00 | 2644.00 | 3698.00 | 2671.00 | 1140.00 | 12590.00 | 2989.50 | 3614.00 | 2302.00 | 8434.50 | 912.00 | 6069.00 | 3700.00 | 3652.00 | 4778.00 | 4441.00 | 6299.20 | 2690.00 | 1894.00 | 17550.00 | 3950.00 | 1520.00 | 5478.00 | 7685.00 | 4605.20 | |
| oleic acid | 69278.36 | 64800.00 | 48395.00 | 36818.00 | 48775.00 | 57870.00 | 56411.00 | 75580.50 | 36568.00 | 40098.50 | 55654.00 | 33357.00 | 39181.50 | 39114.00 | 120991.00 | 59109.00 | 60621.00 | 149489.20 | 95016.00 | 41139.00 | 40531.00 | 47560.00 | 61967.00 | 63320.00 | 31053.00 | 73797.60 | |
| ornithine | 70857.00 | 33179.50 | 37784.00 | 10190.00 | 32970.00 | 44368.00 | 99874.00 | 110368.00 | 60453.00 | 27387.50 | 80834.50 | 30407.00 | 185424.00 | 17173.00 | 26645.00 | 18895.00 | 20713.00 | 44356.20 | 23321.00 | 105420.00 | 52758.00 | 58152.00 | 118723.00 | 6129.00 | 12369.00 | 52397.20 | |
| orotic acid | 1071.64 | 2464.50 | 2242.50 | 1294.00 | 2536.50 | 7821.00 | 220.00 | 130.50 | 299.00 | 2778.00 | 1142.50 | 506.00 | 815.00 | 3224.00 | 1121.00 | 2652.00 | 2620.00 | 3166.20 | 561.00 | 261.00 | 110.00 | 454.25 | 1110.00 | 1146.00 | 440.00 | 2372.00 | |
| oxoproline | 281026.00 | 160986.00 | 178609.00 | 326329.00 | 243423.00 | 219028.00 | 294365.00 | 291097.00 | 727638.00 | 86960.00 | 371874.00 | 161464.00 | 345930.00 | 661308.00 | 97573.00 | 101863.00 | 226898.00 | 80053.20 | 378795.00 | 216524.00 | 366173.00 | 916879.75 | 109077.00 | 165105.00 | 314229.00 | 164648.60 | |
| palatinitol | 3808.64 | 441.50 | 492.00 | 1340.00 | 1611.00 | 1762.00 | 15192.00 | 7277.00 | 3928.00 | 553.00 | 826.50 | 261.00 | 230.00 | 79.00 | 257.00 | 569.00 | 485.00 | 1682.00 | 3705.00 | 6693.00 | 18076.00 | 2608.75 | 237.00 | 2374.00 | 127.00 | 266.00 | |
| palmitic acid | 144826.27 | 118408.00 | 84618.50 | 76325.00 | 100582.00 | 125667.00 | 227999.00 | 274871.00 | 150366.00 | 90362.50 | 130366.00 | 54435.00 | 118887.00 | 110339.00 | 145821.00 | 113583.00 | 113643.00 | 306509.20 | 302929.00 | 114118.00 | 126583.00 | 212837.25 | 176186.00 | 211287.00 | 84709.00 | 215125.60 | |
| palmitoleic acid | 4001.45 | 3768.50 | 1706.50 | 1415.00 | 1609.00 | 4092.00 | 3419.00 | 3967.00 | 2482.00 | 2165.50 | 2755.50 | 1362.00 | 1075.50 | 2276.00 | 5844.00 | 2733.00 | 2306.00 | 22742.20 | 4303.00 | 906.00 | 1540.00 | 3644.00 | 1768.00 | 1515.00 | 1099.00 | 9284.00 | |
| pantothenic acid | 1671.45 | 1932.00 | 3789.00 | 2179.00 | 2713.50 | 3051.00 | 764.00 | 764.50 | 2194.00 | 2224.00 | 1655.00 | 1468.00 | 1011.50 | 1895.00 | 3236.00 | 4561.00 | 2213.00 | 1094.60 | 1673.00 | 800.00 | 188.00 | 2061.25 | 6599.00 | 1499.00 | 1762.00 | 2588.20 | |
| parabanic acid NIST | 3075.73 | 4501.50 | 6623.00 | 1539.00 | 8433.50 | 1376.00 | 2104.00 | 1825.00 | 3990.00 | 1659.00 | 2079.00 | 3567.00 | 1035.00 | 12963.00 | 1067.00 | 1948.00 | 23079.00 | 1644.60 | 3225.00 | 623.00 | 2533.00 | 8721.50 | 2663.00 | 6518.00 | 4215.00 | 3094.00 | |
| pelargonic acid | 15588.09 | 7451.00 | 12325.50 | 18367.00 | 9271.00 | 7043.00 | 16240.00 | 11584.50 | 15404.00 | 9522.00 | 15547.50 | 11094.00 | 16614.00 | 10130.00 | 5612.00 | 11656.00 | 1353.00 | 10179.80 | 31251.00 | 11820.00 | 16302.00 | 16689.00 | 10835.00 | 23282.00 | 15241.00 | 12233.40 | |
| pentadecanoic acid | 28211.45 | 68768.00 | 30590.50 | 23378.00 | 19494.50 | 27892.00 | 14747.00 | 16649.50 | 5939.00 | 13136.50 | 8683.00 | 7112.00 | 7476.50 | 10644.00 | 40339.00 | 30460.00 | 19963.00 | 83777.20 | 10376.00 | 11086.00 | 13001.00 | 10320.75 | 9384.00 | 10194.00 | 6110.00 | 19396.20 | |
| pentitol | 577.00 | 437.50 | 232.50 | 449.00 | 306.00 | 353.00 | 504.00 | 245.00 | 1984.00 | 320.00 | 1059.00 | 219.00 | 510.00 | 1002.00 | 83.00 | 344.00 | 176.00 | 160.80 | 2470.00 | 501.00 | 331.00 | 2062.00 | 175.00 | 587.00 | 946.00 | 261.20 | |
| phenylacetic acid | 12214.91 | 16139.50 | 7454.00 | 15520.00 | 8364.50 | 40862.00 | 3348.00 | 317.50 | 12919.00 | 15799.50 | 5883.50 | 15431.00 | 1144.00 | 1253.00 | 23787.00 | 19565.00 | 1656.00 | 39902.40 | 27629.00 | 927.00 | 137.00 | 29005.25 | 4535.00 | 398.00 | 937.00 | 32028.40 | |
| phenylalanine | 136224.45 | 175433.50 | 178609.00 | 112771.00 | 135096.50 | 110967.00 | 86750.00 | 115241.00 | 66031.00 | 221752.50 | 157152.50 | 376036.00 | 132231.00 | 188901.00 | 192241.00 | 178866.00 | 122085.00 | 126104.60 | 68095.00 | 96105.00 | 72311.00 | 44656.25 | 225713.00 | 92177.00 | 158304.00 | 166720.20 | |
| phenylethylamine | 3832.82 | 1237.00 | 7749.50 | 5958.00 | 7034.50 | 1666.00 | 5753.00 | 7964.50 | 18146.00 | 17023.50 | 6937.50 | 15118.00 | 1362.50 | 7558.00 | 60753.00 | 5721.00 | 1179.00 | 4584.80 | 7293.00 | 4366.00 | 5911.00 | 3666.50 | 9099.00 | 2605.00 | 7687.00 | 11142.00 | |
| phosphate | 12948.45 | 22649.50 | 21321.50 | 6632.00 | 10897.00 | 4388.00 | 10760.00 | 14060.50 | 20278.00 | 4060.50 | 9787.00 | 7404.00 | 9324.00 | 22602.00 | 2632.00 | 3956.00 | 8720.00 | 7238.20 | 26500.00 | 10537.00 | 20396.00 | 8082.00 | 2385.00 | 37848.00 | 8025.00 | 8628.80 | |
| phosphoethanolamine | 286.36 | 1031.50 | 762.00 | 433.00 | 802.00 | 476.00 | 97.00 | 102.00 | 213.00 | 193.00 | 126.50 | 456.00 | 107.00 | 508.00 | 185.00 | 701.00 | 420.00 | 407.40 | 292.00 | 84.00 | 90.00 | 208.50 | 81.00 | 145.00 | 181.00 | 210.00 | |
| p-hydroxylphenyllactic acid | 6212.45 | 1607.50 | 2598.00 | 5651.00 | 5992.50 | 2716.00 | 3231.00 | 2253.50 | 5234.00 | 7170.50 | 17678.00 | 3039.00 | 29604.00 | 19906.00 | 730.00 | 780.00 | 1268.00 | 1158.60 | 16911.00 | 4726.00 | 2315.00 | 5868.25 | 42710.00 | 23731.00 | 10556.00 | 7859.80 | |
| phytosphingosine | 5420.64 | 2126.50 | 1954.00 | 1109.00 | 1774.00 | 1070.00 | 3348.00 | 2484.00 | 1376.00 | 2446.00 | 1539.50 | 820.00 | 4279.50 | 1237.00 | 2298.00 | 2424.00 | 796.00 | 11640.00 | 1645.00 | 1184.00 | 2973.00 | 2477.50 | 1491.00 | 699.00 | 848.00 | 3856.00 | |
| pinitol | 11342.27 | 430.50 | 2466.00 | 3432.00 | 14792.00 | 270.00 | 6400.00 | 19094.00 | 4945.00 | 1295.50 | 12900.50 | 405.00 | 37054.50 | 2094.00 | 239.00 | 2124.00 | 2222.00 | 241.00 | 395.00 | 234.00 | 14603.00 | 29425.50 | 395.00 | 19844.00 | 21777.00 | 2186.20 | |
| pipecolinic acid | 1769.00 | 1781.50 | 2533.00 | 1370.00 | 1805.50 | 2819.00 | 977.00 | 553.50 | 1822.00 | 2941.00 | 622.50 | 2252.00 | 797.00 | 783.00 | 5198.00 | 1357.00 | 1166.00 | 6292.60 | 687.00 | 515.00 | 859.00 | 2075.25 | 1373.00 | 728.00 | 1010.00 | 2294.20 | |
| piperidone | 23916.91 | 48695.00 | 22920.00 | 40306.00 | 20363.50 | 78729.00 | 265.00 | 457.50 | 2287.00 | 66183.00 | 14264.50 | 178299.00 | 1332.00 | 27567.00 | 58278.00 | 30916.00 | 635.00 | 35584.20 | 2839.00 | 452.00 | 277.00 | 2921.00 | 26184.00 | 832.00 | 6507.00 | 72344.60 | |
| proline | 151240.09 | 84398.00 | 128802.00 | 88898.00 | 129064.00 | 253061.00 | 35199.00 | 44992.00 | 18656.00 | 110867.00 | 134481.00 | 198692.00 | 170316.00 | 152585.00 | 126171.00 | 130967.00 | 21874.00 | 133659.40 | 29008.00 | 31489.00 | 57299.00 | 31443.75 | 300829.00 | 266571.00 | 211352.00 | 191576.40 | |
| propane-1,3-diol NIST | 3553.82 | 224.00 | 1199.00 | 1505.00 | 4047.00 | 310.00 | 4881.00 | 3195.00 | 4203.00 | 946.50 | 5105.00 | 495.00 | 13042.00 | 2004.00 | 190.00 | 429.00 | 161.00 | 428.20 | 2725.00 | 5231.00 | 6740.00 | 2689.50 | 5228.00 | 6186.00 | 11753.00 | 838.40 | |
| pseudo uridine | 10319.82 | 35386.50 | 33549.00 | 14609.00 | 41187.00 | 10564.00 | 2395.00 | 4154.00 | 6613.00 | 9492.00 | 6490.00 | 12478.00 | 4787.50 | 25611.00 | 10119.00 | 15595.00 | 78634.00 | 18848.40 | 11002.00 | 4799.00 | 5450.00 | 7811.50 | 8769.00 | 27640.00 | 28400.00 | 17171.60 | |
| putrescine | 162736.36 | 413734.00 | 565991.00 | 807494.00 | 503195.50 | 1084643.00 | 66399.00 | 165171.00 | 416065.00 | 459557.50 | 216099.50 | 16170.00 | 121657.50 | 257978.00 | 1451047.00 | 748907.00 | 190334.00 | 769030.20 | 11840.00 | 226939.00 | 47256.00 | 297343.75 | 107403.00 | 327280.00 | 306102.00 | 269902.20 | |
| pyruvic acid | 8385.55 | 3754.50 | 10729.50 | 23815.00 | 11010.50 | 2350.00 | 22007.00 | 13767.00 | 28235.00 | 7621.00 | 7196.50 | 2106.00 | 16356.00 | 4967.00 | 2808.00 | 8957.00 | 11084.00 | 2525.80 | 32689.00 | 30014.00 | 19785.00 | 8467.50 | 1310.00 | 8129.00 | 7093.00 | 3958.40 | |
| raffinose | 14558.91 | 161.50 | 168.00 | 283.00 | 598.00 | 511.00 | 117178.00 | 75284.00 | 5095.00 | 94.00 | 75.50 | 72.00 | 653.50 | 85.00 | 347.00 | 56.00 | 257.00 | 127.80 | 1770.00 | 55748.00 | 153765.00 | 407.25 | 322.00 | 908.00 | 119.00 | 385.80 | |
| ribitol | 7499.73 | 10784.50 | 10479.50 | 7206.00 | 12401.50 | 9115.00 | 5872.00 | 3684.50 | 8749.00 | 4739.00 | 6719.00 | 3471.00 | 8333.00 | 12646.00 | 2671.00 | 6698.00 | 24608.00 | 4393.80 | 34605.00 | 3310.00 | 4042.00 | 9856.50 | 1331.00 | 12005.00 | 19282.00 | 4047.80 | |
| ribonic acid | 1602.64 | 1230.50 | 1606.50 | 2767.00 | 4428.50 | 3349.00 | 2639.00 | 1000.00 | 2801.00 | 334.00 | 1489.50 | 406.00 | 1754.00 | 2568.00 | 380.00 | 780.00 | 4430.00 | 450.60 | 4469.00 | 1697.00 | 2512.00 | 2851.25 | 708.00 | 2011.00 | 923.00 | 1131.40 | |
| ribose | 52830.55 | 80289.00 | 81295.00 | 118895.00 | 46411.50 | 39706.00 | 28362.00 | 25793.50 | 32999.00 | 62728.00 | 69060.50 | 11758.00 | 42152.00 | 24446.00 | 11333.00 | 92932.00 | 71046.00 | 62870.80 | 12289.00 | 43025.00 | 23957.00 | 31504.00 | 48661.00 | 18800.00 | 16764.00 | 42907.00 | |
| sarcosine | 25301.09 | 5290.00 | 8364.50 | 17691.00 | 15743.00 | 11673.00 | 2518.00 | 10772.00 | 17884.00 | 8332.00 | 8894.00 | 3955.00 | 29155.00 | 4306.00 | 6189.00 | 26867.00 | 7006.00 | 12338.60 | 4869.00 | 21373.00 | 29416.00 | 16760.00 | 14565.00 | 12962.00 | 9117.00 | 7267.80 | |
| serine | 106843.82 | 100315.50 | 156445.00 | 64302.00 | 117217.50 | 44398.00 | 29397.00 | 43946.00 | 41697.00 | 65678.00 | 84153.50 | 122916.00 | 83156.00 | 101993.00 | 83504.00 | 147703.00 | 76068.00 | 91559.00 | 39982.00 | 20724.00 | 50024.00 | 29659.00 | 80563.00 | 79676.00 | 131009.00 | 96485.40 | |
| shikimic acid | 2590.55 | 3008.50 | 4086.50 | 4903.00 | 3421.50 | 3844.00 | 1781.00 | 1862.00 | 1969.00 | 2203.00 | 2399.00 | 1256.00 | 2872.50 | 1995.00 | 2115.00 | 2694.00 | 4875.00 | 2197.60 | 6468.00 | 456.00 | 1671.00 | 2079.25 | 5758.00 | 3335.00 | 2783.00 | 1417.20 | |
| sinapinic acid | 3396.45 | 2255.00 | 5251.50 | 17790.00 | 8834.00 | 8479.00 | 659.00 | 9077.50 | 18874.00 | 1984.00 | 5643.00 | 1020.00 | 3851.50 | 3204.00 | 655.00 | 623.00 | 2201.00 | 2333.40 | 58921.00 | 838.00 | 1877.00 | 14709.75 | 2171.00 | 8550.00 | 4335.00 | 3137.80 | |
| sophorose | 6699.00 | 269.50 | 773.50 | 669.00 | 4543.00 | 2777.00 | 23317.00 | 24049.50 | 367.00 | 506.00 | 246.50 | 216.00 | 2543.50 | 759.00 | 141.00 | 702.00 | 1532.00 | 1097.00 | 691.00 | 14699.00 | 46389.00 | 2601.50 | 188.00 | 233.00 | 419.00 | 438.20 | |
| sorbitol | 16319.18 | 5381.50 | 6616.00 | 7687.00 | 12323.00 | 9805.00 | 9156.00 | 34550.00 | 12258.00 | 4410.50 | 55151.50 | 4636.00 | 89885.00 | 6802.00 | 1971.00 | 7996.00 | 13527.00 | 4147.40 | 15905.00 | 36299.00 | 9481.00 | 17058.25 | 6236.00 | 8669.00 | 41490.00 | 4039.40 | |
| squalene | 4186.55 | 10768.00 | 2941.50 | 2471.00 | 2721.50 | 12906.00 | 1806.00 | 2808.00 | 6805.00 | 9443.00 | 5514.50 | 4818.00 | 1686.00 | 6018.00 | 7269.00 | 2829.00 | 2022.00 | 10282.00 | 32188.00 | 2218.00 | 1248.00 | 5326.00 | 15542.00 | 2684.00 | 956.00 | 5580.80 | |
| stearic acid | 647574.45 | 676855.50 | 582111.00 | 565100.00 | 656559.00 | 729298.00 | 898160.00 | 1202831.50 | 736336.00 | 605506.00 | 789948.50 | 378163.00 | 784689.50 | 660161.00 | 795411.00 | 575182.00 | 677216.00 | 1261797.80 | 1077341.00 | 675558.00 | 719574.00 | 1118264.50 | 999257.00 | 1602661.00 | 507515.00 | 1044648.40 | |
| succinic acid | 135621.91 | 17617.00 | 20573.00 | 64135.00 | 230159.00 | 121286.00 | 795120.00 | 56478.50 | 299535.00 | 1935.00 | 400652.00 | 175775.00 | 489765.00 | 260833.00 | 2547.00 | 31540.00 | 16231.00 | 55196.20 | 60085.00 | 1147221.00 | 52631.00 | 27274.75 | 287774.00 | 499866.00 | 525239.00 | 207238.60 | |
| sucrose | 2508.18 | 151.00 | 312.00 | 732.00 | 507.00 | 156.00 | 14664.00 | 12140.50 | 789.00 | 172.50 | 217.50 | 14.00 | 35667.00 | 548.00 | 20.00 | 334.00 | 2207.00 | 233.20 | 1110.00 | 4156.00 | 22932.00 | 1058.00 | 14.00 | 1289.00 | 159.00 | 296.20 | |
| tagatose | 688.27 | 245.00 | 564.50 | 763.00 | 1266.50 | 111.00 | 1443.00 | 677.50 | 477.00 | 179.00 | 904.50 | 167.00 | 736.00 | 236.00 | 454.00 | 1333.00 | 1220.00 | 171.60 | 602.00 | 331.00 | 614.00 | 409.75 | 256.00 | 836.00 | 235.00 | 188.20 | |
| taurine | 3022.36 | 45549.00 | 16852.00 | 8521.00 | 28116.50 | 13171.00 | 566.00 | 948.00 | 22643.00 | 5474.50 | 687.50 | 22653.00 | 731.00 | 21638.00 | 1254.00 | 499.00 | 31857.00 | 4346.20 | 788.00 | 326.00 | 3185.00 | 36963.50 | 394.00 | 5259.00 | 3681.00 | 2778.40 | |
| threitol | 2203.55 | 2147.00 | 3073.00 | 4944.00 | 5558.50 | 3294.00 | 1198.00 | 705.50 | 2245.00 | 1550.00 | 2339.00 | 786.00 | 5175.50 | 6007.00 | 746.00 | 2040.00 | 4913.00 | 1742.80 | 4515.00 | 1852.00 | 1362.00 | 2822.25 | 876.00 | 7861.00 | 5533.00 | 2262.20 | |
| threonic acid | 1158.45 | 1097.00 | 1022.50 | 729.00 | 1914.50 | 165.00 | 660.00 | 440.50 | 658.00 | 158.00 | 517.00 | 171.00 | 883.00 | 648.00 | 299.00 | 407.00 | 3190.00 | 216.80 | 507.00 | 474.00 | 479.00 | 360.50 | 294.00 | 757.00 | 1656.00 | 257.20 | |
| threonine | 75103.09 | 66928.50 | 99135.50 | 75291.00 | 84335.50 | 60866.00 | 62665.00 | 62562.00 | 23264.00 | 72223.50 | 152904.50 | 66230.00 | 205495.50 | 110177.00 | 55723.00 | 114094.00 | 62238.00 | 53340.20 | 26322.00 | 53058.00 | 63492.00 | 31068.75 | 203617.00 | 161800.00 | 250536.00 | 84557.80 | |
| thymidine | 904.18 | 4478.00 | 7469.00 | 7861.00 | 4229.50 | 8444.00 | 546.00 | 221.50 | 1256.00 | 2410.50 | 1197.00 | 5448.00 | 282.00 | 2773.00 | 723.00 | 1989.00 | 8307.00 | 2091.20 | 2111.00 | 566.00 | 398.00 | 4504.25 | 1435.00 | 3663.00 | 504.00 | 2833.20 | |
| thymine | 10818.00 | 19153.50 | 16480.50 | 18266.00 | 3946.50 | 14915.00 | 3700.00 | 3881.00 | 6410.00 | 10084.50 | 8418.50 | 8256.00 | 7034.00 | 9065.00 | 7208.00 | 18593.00 | 9491.00 | 18914.00 | 8420.00 | 6339.00 | 3647.00 | 14507.75 | 8660.00 | 10437.00 | 10010.00 | 16029.20 | |
| tocopherol acetate | 36421.45 | 47017.50 | 31249.00 | 41779.00 | 29547.00 | 40021.00 | 36869.00 | 21775.00 | 45961.00 | 78880.00 | 63935.50 | 62986.00 | 35418.50 | 33479.00 | 11034.00 | 12604.00 | 22069.00 | 59846.20 | 14252.00 | 35578.00 | 30645.00 | 47433.25 | 7002.00 | 58630.00 | 32270.00 | 62298.80 | |
| tocopherol alpha- | 178146.73 | 282753.00 | 165559.00 | 337035.00 | 230657.00 | 328343.00 | 116849.00 | 135879.00 | 258852.00 | 281902.50 | 205394.50 | 123251.00 | 239746.00 | 296355.00 | 378248.00 | 214304.00 | 265790.00 | 254084.60 | 689879.00 | 199964.00 | 141722.00 | 261442.75 | 630377.00 | 294560.00 | 193343.00 | 228491.40 | |
| tocopherol beta- | 369.82 | 545.00 | 216.00 | 372.00 | 338.50 | 492.00 | 200.00 | 163.50 | 497.00 | 586.00 | 400.00 | 357.00 | 347.00 | 150.00 | 613.00 | 273.00 | 350.00 | 813.20 | 1433.00 | 183.00 | 274.00 | 573.75 | 826.00 | 276.00 | 187.00 | 495.00 | |
| tocopherol delta- | 3836.73 | 6303.00 | 2798.00 | 3736.00 | 2171.00 | 6989.00 | 1783.00 | 2167.50 | 4994.00 | 6437.50 | 3734.00 | 2861.00 | 2551.00 | 5166.00 | 7065.00 | 2347.00 | 3023.00 | 7132.00 | 23281.00 | 1016.00 | 1122.00 | 7144.50 | 11394.00 | 2923.00 | 1766.00 | 7794.00 | |
| tocopherol gamma- | 11274.64 | 23139.00 | 4208.50 | 8277.00 | 6142.50 | 26275.00 | 4708.00 | 3966.50 | 21532.00 | 24489.00 | 12946.00 | 12360.00 | 4528.00 | 21805.00 | 17505.00 | 5189.00 | 5464.00 | 23565.80 | 47885.00 | 4769.00 | 3475.00 | 23819.50 | 29450.00 | 4777.00 | 3023.00 | 24179.60 | |
| trans-4-hydroxyproline | 16196.64 | 9625.00 | 10339.00 | 9649.00 | 11927.00 | 25907.00 | 9199.00 | 6321.50 | 21688.00 | 5669.50 | 9160.50 | 4486.00 | 11946.50 | 15261.00 | 10263.00 | 14917.00 | 4438.00 | 6254.40 | 12835.00 | 7643.00 | 11276.00 | 23250.75 | 21386.00 | 11517.00 | 10261.00 | 17416.80 | |
| tryptophan | 135619.45 | 246398.00 | 138950.00 | 213923.00 | 187020.00 | 469614.00 | 123898.00 | 163336.00 | 14088.00 | 162488.50 | 179321.50 | 136460.00 | 156133.50 | 35537.00 | 309136.00 | 54189.00 | 201196.00 | 81273.00 | 35356.00 | 109741.00 | 159124.00 | 47597.25 | 216876.00 | 4930.00 | 124468.00 | 143934.00 | |
| tyramine | 226966.91 | 314063.50 | 457230.50 | 627609.00 | 245122.00 | 715116.00 | 632465.00 | 595352.50 | 1297191.00 | 492060.00 | 423688.00 | 334577.00 | 88079.00 | 656465.00 | 1013652.00 | 580659.00 | 88633.00 | 344033.40 | 1566120.00 | 508080.00 | 540316.00 | 560507.50 | 53630.00 | 264860.00 | 471798.00 | 373493.60 | |
| tyrosine | 254198.36 | 353680.00 | 268266.00 | 139069.00 | 341999.50 | 127581.00 | 33178.00 | 34137.00 | 57851.00 | 430862.50 | 272529.50 | 503804.00 | 447199.50 | 310473.00 | 159420.00 | 212528.00 | 345162.00 | 249132.40 | 179249.00 | 46449.00 | 30466.00 | 71992.25 | 350928.00 | 254611.00 | 305077.00 | 271815.60 | |
| tyrosol | 1067.18 | 1509.50 | 1853.50 | 1379.00 | 748.00 | 1187.00 | 85.00 | 260.50 | 999.00 | 4822.00 | 1132.50 | 6316.00 | 194.50 | 1348.00 | 2270.00 | 1762.00 | 1279.00 | 2090.40 | 5071.00 | 149.00 | 593.00 | 2294.25 | 865.00 | 474.00 | 631.00 | 9613.60 | |
| UDP-glucuronic acid | 2070.91 | 3000.50 | 2026.50 | 7892.00 | 4588.00 | 3891.00 | 6413.00 | 5824.50 | 1201.00 | 2973.50 | 2617.50 | 1305.00 | 2699.50 | 1684.00 | 613.00 | 1542.00 | 1120.00 | 1373.80 | 926.00 | 6317.00 | 8749.00 | 3094.00 | 1017.00 | 5393.00 | 2187.00 | 1558.40 | |
| uracil | 40810.09 | 102159.50 | 64076.50 | 31623.00 | 18555.00 | 37186.00 | 6220.00 | 5483.00 | 11246.00 | 34271.50 | 32145.00 | 27318.00 | 21810.00 | 72401.00 | 23675.00 | 63515.00 | 27434.00 | 53773.20 | 9940.00 | 14293.00 | 1705.00 | 44023.50 | 31105.00 | 25415.00 | 41322.00 | 40359.80 | |
| urea | 351800.45 | 219359.00 | 483419.50 | 688168.00 | 804574.00 | 8826.00 | 406501.00 | 427630.50 | 754272.00 | 7077.00 | 10297.00 | 243308.00 | 54025.00 | 383076.00 | 108569.00 | 10707.00 | 493794.00 | 165890.60 | 651118.00 | 451930.00 | 777638.00 | 316591.75 | 4792.00 | 545254.00 | 898314.00 | 186594.20 | |
| uric acid | 1369.36 | 6206.00 | 2461.00 | 679.00 | 1123.50 | 226.00 | 289.00 | 524.00 | 818.00 | 627.00 | 279.50 | 764.00 | 495.50 | 1367.00 | 1386.00 | 1452.00 | 8276.00 | 2519.40 | 346.00 | 99.00 | 1306.00 | 165.25 | 632.00 | 155.00 | 4061.00 | 1161.80 | |
| uridine | 2298.91 | 8681.50 | 3871.00 | 6559.00 | 1811.50 | 6994.00 | 2128.00 | 2159.00 | 2551.00 | 4202.00 | 1286.00 | 8308.00 | 2425.50 | 1718.00 | 1565.00 | 1526.00 | 1022.00 | 5342.00 | 8848.00 | 3402.00 | 6462.00 | 8301.25 | 1575.00 | 2337.00 | 1933.00 | 3278.40 | |
| urocanic acid | 1902.82 | 650.00 | 2586.00 | 580.00 | 1758.00 | 909.00 | 118.00 | 186.50 | 166.00 | 2243.50 | 2234.50 | 2426.00 | 854.50 | 3542.00 | 391.00 | 2151.00 | 1804.00 | 1777.40 | 1673.00 | 80.00 | 221.00 | 166.50 | 3145.00 | 225.00 | 749.00 | 1960.80 | |
| valine | 357720.18 | 464971.00 | 517380.50 | 280864.00 | 385049.50 | 234359.00 | 165143.00 | 210243.50 | 133982.00 | 501632.50 | 316856.00 | 801602.00 | 312562.50 | 449153.00 | 518451.00 | 427556.00 | 331087.00 | 396189.60 | 138563.00 | 107648.00 | 182760.00 | 112035.50 | 515744.00 | 293863.00 | 609491.00 | 499465.80 | |
| vanillic acid | 1467.91 | 2973.00 | 1856.00 | 3256.00 | 1999.50 | 3326.00 | 460.00 | 659.50 | 1891.00 | 1830.50 | 2087.00 | 353.00 | 1099.50 | 2742.00 | 898.00 | 1622.00 | 2198.00 | 675.40 | 2610.00 | 793.00 | 321.00 | 1582.75 | 938.00 | 2906.00 | 273.00 | 861.40 | |
| xanthine | 13658.55 | 45045.50 | 13436.50 | 10051.00 | 5048.50 | 22444.00 | 237.00 | 770.00 | 4704.00 | 10294.00 | 5093.50 | 10427.00 | 1014.50 | 17075.00 | 5741.00 | 16117.00 | 7219.00 | 17718.60 | 3035.00 | 1765.00 | 331.00 | 3866.25 | 6550.00 | 3054.00 | 6946.00 | 10682.80 | |
| xylitol | 3019.09 | 4842.00 | 4397.50 | 1463.00 | 6537.50 | 1602.00 | 9068.00 | 2567.50 | 2700.00 | 6260.50 | 6726.00 | 1446.00 | 15962.00 | 4986.00 | 1778.00 | 2792.00 | 9225.00 | 1797.80 | 3651.00 | 4877.00 | 7067.00 | 2791.75 | 6655.00 | 5732.00 | 2486.00 | 4553.60 | |
| xylonic acid isomer | 732.55 | 990.00 | 696.50 | 1324.00 | 1407.00 | 251.00 | 829.00 | 893.50 | 952.00 | 934.50 | 462.50 | 149.00 | 1023.50 | 1275.00 | 3126.00 | 1512.00 | 1178.00 | 1552.60 | 1252.00 | 517.00 | 779.00 | 1434.50 | 330.00 | 953.00 | 1547.00 | 693.00 | |
| xylose | 443198.64 | 368604.50 | 288112.50 | 952552.00 | 209563.00 | 241265.00 | 184226.00 | 45746.50 | 58197.00 | 274031.00 | 485175.00 | 36571.00 | 119211.50 | 19377.00 | 35004.00 | 391022.00 | 147592.00 | 170516.00 | 52135.00 | 58984.00 | 77542.00 | 231164.25 | 173388.00 | 194684.00 | 47196.00 | 126417.80 | |
| xylulose NIST | 3950.27 | 3393.00 | 4088.50 | 15751.00 | 2997.50 | 2363.00 | 9407.00 | 7669.00 | 2989.00 | 3524.00 | 5182.50 | 379.00 | 2950.00 | 539.00 | 465.00 | 5969.00 | 3786.00 | 2176.40 | 676.00 | 5380.00 | 6827.00 | 2369.50 | 2608.00 | 1728.00 | 802.00 | 1399.80 |
Factors:
| F1 | Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):- |
| F2 | Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):10 |
| F3 | Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):5 |
| F4 | Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):7 |
| F5 | Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):7 |
| F6 | Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9 |
| F7 | Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):5 |
| F8 | Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):7 |
| F9 | Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9 |
| F10 | Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):10 |
| F11 | Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):5 |
| F12 | Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):7 |
| F13 | Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):7 |
| F14 | Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9 |
| F15 | Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):10 |
| F16 | Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):5 |
| F17 | Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):7 |
| F18 | Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9 |
| F19 | Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):10 |
| F20 | Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):5 |
| F21 | Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):7 |
| F22 | Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9 |
| F23 | Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):10 |
| F24 | Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):5 |
| F25 | Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):7 |
| F26 | Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9 |
