Data for ST000884   

(Analysis AN001441): Average values per metabolite and experimental factor (Units:Counts)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49
1-monopalmitin
1192.20 930.67 995.50 1159.40 749.33 898.67 715.83 1124.17 930.33 807.86 904.17 1318.00 665.00 689.50 929.50 600.00 772.50 734.50 687.00 775.50 913.25 629.00 720.50 351.17 244.20 338.20 243.17 299.67 358.83 280.33 185.00 275.80 279.00 270.17 255.20 204.25 181.33 81.00 89.00 463.00 97.00 99.00 157.00 763.00 213.00 289.00 223.00 278.00 292.00
2,5-dihydroxypyrazine NIST
3291.20 3268.83 2306.17 3411.20 3262.17 2897.50 1670.00 3535.17 1785.83 2363.14 2419.83 2125.67 427.50 363.00 416.00 399.00 529.50 274.00 548.00 450.50 314.00 472.50 538.00 896.17 1503.00 1483.20 2198.83 2146.83 1373.83 1793.83 691.20 1511.20 2605.80 1588.17 1228.80 2955.00 2457.67 56.00 48.00 110.00 59.00 79.00 89.00 453.00 154.00 183.00 214.00 215.00 209.00
2-deoxytetronic acid
783.60 1081.33 1026.00 919.60 967.67 905.00 795.17 922.50 1385.33 1074.14 961.50 897.67 866.50 828.00 1064.50 973.33 786.00 837.50 786.00 806.50 903.25 1013.00 794.50 254.67 178.60 190.40 192.33 223.50 165.83 194.83 166.00 189.40 165.20 184.83 168.40 156.50 201.50 50.00 39.00 295.00 60.00 66.00 89.00 347.00 172.00 141.00 235.00 106.00 164.00
2-hydroxybutanoic acid
3217.60 3618.67 3983.33 3776.60 5936.67 8561.33 14137.83 11226.83 5133.33 2049.14 2788.50 4536.50 10598.50 9459.00 3802.50 4799.00 5007.50 978.00 24593.00 11475.50 6716.75 3071.00 4993.00 7663.50 21139.40 5761.20 24662.00 20354.00 25024.50 17297.17 19610.00 1272.00 1064.60 13818.00 13314.20 11530.75 18707.50 410.00 324.00 206.00 2807.00 225.00 125.00 402.00 568.00 314.00 353.00 132.00 1055.00
2-hydroxyglutaric acid
7404.20 5945.67 1620.83 3523.80 659.17 549.33 2817.83 5757.83 2843.83 3104.71 892.50 665.00 2968.50 2502.00 2248.00 3172.33 1334.00 1288.00 6784.00 6397.00 4581.75 1796.00 1510.50 674.00 1865.60 970.60 519.00 1285.83 1154.50 1036.33 1125.00 323.40 445.80 525.67 1923.00 196.25 628.67 157.00 91.00 325.00 42.00 90.00 82.00 1863.00 1414.00 836.00 622.00 1158.00 199.00
2-isopropylmalic acid
149.40 141.50 153.83 1047.80 155.00 211.00 177.33 143.33 136.50 171.57 167.67 156.83 97.00 117.00 135.50 139.67 154.50 114.50 132.00 137.50 124.75 120.50 96.50 386.17 327.20 417.60 332.50 277.83 299.83 326.67 760.00 245.40 227.40 778.67 603.20 752.75 1269.83 184.00 87.00 246.00 218.00 339.00 440.00 2908.00 1208.00 1125.00 1450.00 734.00 1058.00
2-ketobutyric acid
3371.80 4229.83 4376.50 9192.80 5767.50 5852.17 3916.50 4312.67 4445.17 4760.43 4531.83 4453.33 6657.00 6245.50 4599.50 3006.33 2323.50 5062.50 5598.00 4085.00 3307.00 2851.00 6235.00 2488.17 2146.60 3189.00 2030.00 2433.50 3547.17 2605.83 1824.80 2271.80 2596.20 3080.17 2652.80 1614.50 2214.67 1389.00 1113.00 234.00 16.00 1287.00 130.00 476.00 978.00 3076.00 1538.00 2162.00 2740.00
2-ketoisocaproic acid
4345.60 3887.17 2972.00 6442.20 5399.67 4218.00 3533.83 4290.00 4381.67 5015.43 3812.50 4654.67 3602.50 3492.50 2257.00 3140.33 2857.00 31128.50 3210.00 3818.00 3069.50 2814.50 3670.50 13042.00 706.00 832.80 1039.50 933.67 1429.17 1030.33 760.00 1049.20 996.80 1347.17 931.40 792.50 1084.67 169.00 237.00 513.00 493.00 241.00 188.00 883.00 248.00 578.00 467.00 335.00 365.00
2-methylglyceric acid NIST
9661.00 11447.00 11370.17 6493.00 8747.67 8691.50 9188.33 9937.50 15292.83 11642.14 9777.00 8352.83 9906.00 9965.50 12843.00 12672.00 11955.50 11833.50 11817.00 11706.00 12717.25 12407.00 12849.00 305.50 370.20 268.80 214.33 328.83 187.50 191.00 197.80 218.00 294.20 156.83 189.20 188.75 219.50 58.00 67.00 192.00 81.00 83.00 65.00 435.00 158.00 236.00 171.00 216.00 182.00
31362 alkane
735.20 514.83 527.00 1168.60 821.83 571.50 368.17 847.83 519.17 596.43 542.00 582.50 620.00 587.00 512.50 575.67 1408.00 1216.00 281.00 543.00 484.50 460.50 1107.00 639.33 833.60 672.20 1107.00 1125.17 588.00 1015.33 603.00 928.00 905.40 496.50 1220.20 1066.00 781.33 294.00 335.00 1053.00 363.00 328.00 559.00 2473.00 558.00 828.00 668.00 676.00 975.00
3247 melibiose-like
109.40 122.50 126.67 429.00 266.50 179.00 113.00 192.50 141.00 243.00 163.83 102.00 153.00 92.00 142.00 116.00 234.50 87.00 150.00 156.50 125.50 125.00 134.00 212.67 137.80 188.00 172.17 157.50 177.83 143.83 127.80 181.40 157.40 154.33 185.20 153.00 130.83 47.00 62.00 286.00 68.00 70.00 93.00 435.00 108.00 169.00 137.00 139.00 191.00
3,6-anhydro-D-galactose
785.80 877.00 793.00 1319.80 823.00 810.67 939.33 775.00 1202.17 1131.57 758.33 762.50 1173.00 1034.00 1298.50 1266.00 805.50 1101.00 1164.00 1209.00 967.50 1282.50 1332.50 527.33 327.00 434.60 369.67 389.33 357.33 319.67 254.00 352.20 399.40 359.17 459.20 309.25 311.33 208.00 286.00 737.00 394.00 301.00 328.00 1729.00 368.00 502.00 381.00 339.00 440.00
3781 trehalose-like
72916.40 222651.50 68536.50 19663.20 35987.17 32503.17 7058.17 58962.50 2001.83 33390.29 5125.83 2424.83 473798.50 444270.00 401810.00 290578.67 330305.50 309722.00 118490.00 310389.00 86638.25 65344.00 58443.50 378.33 470.60 664.40 629.83 604.67 405.50 272.17 377.40 264.20 455.40 521.17 1113.00 623.00 615.50 753.00 228.00 566.00 310.00 555.00 186.00 1031.00 307.00 616.00 303.00 285.00 327.00
3^-adenylic acid
153.60 153.67 154.67 444.40 150.67 155.67 136.33 171.83 86.00 206.43 163.67 173.00 161.00 70.00 138.00 170.33 179.00 70.00 96.00 108.00 222.25 73.50 193.00 223.33 126.20 138.40 194.17 127.83 132.00 141.33 114.00 170.40 161.80 157.00 161.20 135.00 133.50 36.00 53.00 227.00 79.00 68.00 95.00 518.00 83.00 216.00 188.00 157.00 202.00
3-hydroxy-3-methylglutaric acid
260.20 261.33 205.83 486.00 222.17 163.33 252.17 167.00 269.33 390.14 225.67 234.00 290.50 256.50 253.50 193.00 218.00 243.00 339.00 245.50 271.25 327.50 244.00 261.33 135.40 128.00 159.83 146.17 181.83 159.33 115.20 173.80 149.20 143.00 2976.00 146.50 156.33 38.00 44.00 264.00 69.00 56.00 80.00 421.00 146.00 219.00 203.00 132.00 187.00
3-hydroxybutyric acid
1475.00 2459.33 1041.83 3654.00 3889.67 1371.67 1016.67 2404.67 1394.83 1077.57 2589.33 1498.67 742.00 700.00 1073.00 835.33 809.50 824.00 1134.00 912.00 998.00 925.00 822.50 1174.50 1460.60 1762.60 1358.00 1154.17 1420.33 1697.33 1413.00 1056.00 1647.80 1291.67 1765.40 1504.50 1680.33 854.00 613.00 297.00 554.00 925.00 862.00 467.00 125.00 2120.00 1855.00 152.00 2194.00
3-hydroxypropionic acid
5291.20 4664.33 3989.33 3813.80 5873.67 4878.83 4617.00 4870.33 6201.67 5017.71 4784.00 4377.33 3242.00 3091.00 4150.00 3796.67 3455.00 3935.50 4442.00 3521.50 4083.00 3803.00 3956.00 592.00 822.40 712.00 985.83 850.67 617.00 1061.67 580.80 821.80 762.60 620.83 990.40 999.00 738.50 60.00 79.00 206.00 109.00 74.00 140.00 407.00 96.00 179.00 214.00 132.00 236.00
3-phosphoglycerate
15361.60 10099.50 10582.67 35031.40 19423.17 16289.00 19200.67 13686.17 11546.67 13063.14 8907.00 18742.17 684.50 739.00 947.00 262.00 464.00 786.00 81.00 899.00 736.50 915.00 918.00 15620.17 24929.20 11315.80 7372.33 6996.67 8761.17 7540.00 9926.80 10150.80 13852.60 6958.50 7568.60 6661.25 6309.33 67.00 55.00 297.00 70.00 41.00 77.00 407.00 109.00 211.00 340.00 175.00 114.00
4713 sim to lactose with RI shift
293.20 541.83 410.17 557.20 486.17 329.00 294.50 501.83 470.00 425.14 403.00 245.50 228.00 264.50 109.00 560.67 123.50 288.00 84.00 194.00 160.50 303.00 259.00 261.50 132.60 141.80 160.00 129.17 133.33 545.67 109.20 159.80 154.40 164.83 154.20 505.50 380.67 68.00 78.00 255.00 135.00 79.00 67.00 430.00 98.00 165.00 250.00 175.00 144.00
4-aminobenzoicacid
321.60 297.00 352.00 501.00 483.00 371.67 408.33 357.00 471.00 562.57 375.83 310.00 309.50 379.50 297.00 346.33 366.00 292.00 310.00 380.50 244.75 314.00 243.00 246.50 148.60 144.60 183.00 178.00 142.33 158.50 109.20 151.60 134.20 156.50 171.40 135.50 129.17 44.00 35.00 241.00 82.00 57.00 63.00 508.00 123.00 131.00 179.00 239.00 123.00
4-aminobutyric acid minor
4266.60 6087.17 3587.33 36304.60 4495.33 4437.50 5375.50 4895.67 5834.17 6128.71 4983.67 4610.17 2753.00 2061.50 1106.50 1735.33 3014.00 2121.50 425.00 1841.50 2067.50 2622.50 1629.50 16304.83 23117.20 9247.80 11323.33 7788.83 14570.00 16474.17 35599.40 43959.20 4651.40 20567.67 26236.40 28385.25 30724.00 39.00 59.00 283.00 140.00 67.00 83.00 772.00 208.00 312.00 239.00 113.00 204.00
4-hydroxybutyric acid
1483.00 947.83 805.83 1208.40 1476.83 885.17 258.33 1584.83 930.67 911.00 1067.67 907.17 187.00 162.00 268.50 220.67 239.00 257.00 266.00 212.00 250.25 272.50 202.50 744.00 1388.80 927.40 1913.83 1985.17 743.33 1880.00 968.00 1599.60 1575.20 701.17 1900.00 1936.00 1190.50 37.00 48.00 152.00 117.00 67.00 50.00 476.00 96.00 156.00 182.00 170.00 138.00
5-aminovaleric acid
3514.20 5845.83 5592.00 2264.40 2031.50 2788.17 6133.50 1709.83 3747.50 7355.14 4376.17 3044.67 6020.50 5570.50 1444.00 12150.67 203.00 5922.00 11183.00 6449.00 6560.50 6998.00 13992.00 227.83 123.00 133.60 158.33 136.50 153.00 142.50 112.20 144.80 149.60 170.50 158.40 116.50 301.50 34.00 43.00 349.00 78.00 60.00 69.00 481.00 100.00 171.00 190.00 146.00 182.00
5^-deoxy-5^-methylthioadenosine
604.60 299.17 587.33 956.40 658.67 822.33 501.50 355.33 416.17 627.14 373.83 529.17 75.50 85.00 86.00 151.33 90.00 100.50 83.00 117.50 123.75 110.50 147.00 374.67 317.80 256.80 286.17 289.83 439.83 407.83 195.20 276.80 265.80 241.33 214.20 701.50 578.83 50.00 38.00 154.00 117.00 41.00 94.00 569.00 138.00 158.00 113.00 169.00 304.00
5-hydroxymethyl-2-furoic acid NIST
530.40 602.83 565.00 711.20 489.67 531.83 482.83 482.67 785.17 715.71 493.33 501.17 473.00 481.50 583.00 717.67 694.00 609.00 584.00 682.50 694.75 711.50 556.00 305.67 169.60 131.60 249.33 116.83 163.17 173.83 98.80 202.40 147.20 170.33 182.60 133.00 161.83 79.00 36.00 286.00 68.00 73.00 65.00 661.00 96.00 161.00 217.00 189.00 224.00
6-deoxyglucose
2030.80 2478.17 1388.67 2135.20 2797.33 2696.17 2287.83 2503.00 1220.50 2242.14 2496.50 1663.17 13175.00 11121.50 13269.00 2675.33 1984.00 10565.00 3554.00 2353.50 10530.50 2445.00 3447.50 1135.33 793.40 678.60 670.17 522.33 877.67 972.17 475.00 443.00 594.40 681.00 726.00 938.75 1212.83 51.00 102.00 1849.00 53.00 223.00 95.00 989.00 142.00 356.00 168.00 130.00 244.00
acetophenone NIST
873.80 2386.83 1889.50 1578.80 1679.50 2418.33 672.50 2955.67 1975.83 1688.29 3033.83 1261.33 327.50 788.50 402.00 307.33 292.50 386.50 115.00 196.00 258.75 260.00 206.00 1436.83 1095.80 1315.40 1613.17 1149.67 2205.83 2076.67 757.20 1326.60 1504.20 1083.83 1260.40 1724.00 1534.33 146.00 98.00 218.00 103.00 159.00 86.00 490.00 189.00 183.00 187.00 198.00 308.00
adenine
3134.00 1959.83 2607.83 3661.60 3902.67 3418.17 3063.67 2822.67 1876.83 2847.57 3436.67 3282.50 380.00 370.00 472.50 404.00 568.00 231.00 388.00 1024.00 862.00 515.50 567.00 1098.83 1164.20 1063.80 998.67 1399.67 961.33 1299.00 633.40 811.20 1153.40 514.83 1630.80 1479.25 1369.50 49.00 95.00 274.00 46.00 74.00 97.00 569.00 155.00 121.00 139.00 140.00 209.00
adenosine
1398.00 732.67 948.50 1011.40 1401.67 1369.33 1500.83 1880.33 749.33 849.29 1691.50 2166.67 217.50 183.00 294.00 295.00 390.50 115.50 283.00 614.50 853.25 257.00 292.00 325.00 250.40 403.60 395.83 287.83 292.33 313.50 132.00 140.80 366.00 206.50 260.20 272.00 276.00 57.00 50.00 274.00 90.00 64.00 53.00 550.00 148.00 136.00 231.00 106.00 182.00
adenosine-5-monophosphate
7879.40 5568.33 6445.33 11783.60 8068.33 8393.83 5928.33 7707.83 4810.50 5297.43 7992.00 8201.67 110.50 110.00 145.00 223.67 145.00 111.00 169.00 175.50 271.00 146.00 133.50 3076.00 4954.20 4370.80 3691.33 7189.83 3817.00 5475.50 3022.40 4174.00 7025.80 1988.83 5704.40 4105.25 3270.83 79.00 48.00 220.00 97.00 62.00 61.00 545.00 179.00 218.00 174.00 170.00 139.00
alanine
1135110.20 1051167.67 1156070.83 872014.40 1410155.83 1355468.50 1153966.50 1116001.00 1218823.83 1115141.14 1068907.17 1196221.67 1652880.50 1573155.00 1398147.00 1159995.00 1449977.50 1477634.50 1534127.00 1319824.50 1526232.50 1483612.50 1733394.00 67310.50 68875.00 58750.40 62564.67 59269.50 78469.33 62110.50 32896.80 37921.20 65626.60 40755.67 41538.40 40192.50 37594.17 9658.00 2965.00 590.00 2926.00 7764.00 6950.00 703.00 7270.00 15260.00 11313.00 8909.00 21517.00
alanine-alanine
19148.80 17053.00 11392.67 9698.00 11536.50 16885.33 15029.33 14065.67 13829.00 15145.00 10358.00 13977.00 5829.50 6130.00 6486.00 4985.00 4838.00 4957.00 4122.00 4922.00 3327.00 3334.50 3294.00 1156.50 473.20 598.40 1580.50 632.17 1960.33 1236.50 898.60 1171.80 1808.80 3795.50 707.00 801.00 467.17 84.00 40.00 250.00 103.00 77.00 97.00 532.00 156.00 231.00 306.00 139.00 212.00
alloxanoic acid
160.20 94.83 120.50 943.40 127.50 139.33 133.50 123.67 109.50 279.14 197.83 120.83 58.00 108.00 114.50 118.33 100.50 92.50 71.00 83.00 107.00 82.00 133.00 408.50 235.00 333.00 238.83 275.33 468.33 295.33 252.00 316.60 336.00 485.50 251.00 267.00 369.00 72.00 33.00 248.00 67.00 47.00 65.00 398.00 129.00 123.00 168.00 157.00 168.00
alpha-aminoadipic acid
270.40 298.33 219.50 496.80 238.33 276.33 434.50 335.83 208.50 362.14 273.67 273.67 195.50 162.00 234.50 1571.00 989.00 215.50 1808.00 336.00 957.75 284.00 1368.00 286.17 189.40 139.60 233.00 159.83 161.50 186.83 107.20 163.80 189.20 153.00 250.60 178.50 274.17 61.00 56.00 342.00 84.00 98.00 77.00 541.00 98.00 223.00 196.00 110.00 124.00
alpha-ketoglutarate
533.00 428.00 260.17 1312.40 425.83 327.33 304.17 429.00 345.50 393.43 407.50 373.17 119.00 101.50 163.00 192.33 222.00 109.50 127.00 141.00 228.25 123.00 160.00 731.50 778.40 357.00 1838.33 447.67 949.67 1451.00 589.80 389.60 776.60 807.83 610.40 503.25 335.17 68.00 53.00 253.00 51.00 56.00 65.00 430.00 99.00 131.00 136.00 99.00 116.00
aminomalonate
7418.40 7451.67 3512.50 4361.60 3171.17 4294.67 9407.00 8415.33 6934.33 6550.00 3913.83 4639.83 1539.50 1142.50 970.50 1187.00 1244.00 1123.00 1528.00 2466.00 1654.25 1445.50 1821.50 437.67 590.60 501.40 432.67 451.33 388.67 411.83 534.60 410.20 357.60 367.33 620.20 331.25 276.50 172.00 619.00 274.00 421.00 371.00 427.00 892.00 578.00 520.00 477.00 452.00 385.00
arachidic acid
1208.60 895.33 1169.83 1766.20 1338.67 1213.50 951.00 1215.83 804.33 1412.57 1028.83 1392.17 222.00 386.00 412.50 548.00 1265.00 223.00 799.00 491.50 677.00 363.00 370.50 1023.00 872.80 1189.00 1275.33 1047.50 1046.67 1069.33 746.40 1280.40 1829.40 1118.33 1360.20 1159.25 1607.33 293.00 310.00 618.00 247.00 132.00 206.00 1035.00 270.00 500.00 774.00 394.00 566.00
asparagine
10659.80 26610.00 17404.33 11042.80 7478.00 9866.83 14892.00 12434.17 16301.17 16170.86 10802.83 8359.50 42014.00 39940.50 48797.00 46394.67 52530.50 50478.00 34335.00 38763.50 26478.50 27892.50 25493.00 4402.33 1274.80 14333.60 6585.67 6089.33 3631.00 1547.83 8463.00 5643.80 7608.20 3700.50 1585.60 4952.25 4155.67 297.00 425.00 1449.00 493.00 636.00 396.00 2542.00 1044.00 1281.00 1107.00 973.00 866.00
aspartic acid
108947.00 172539.17 94711.17 57717.40 81670.83 105990.33 114382.00 111408.50 27048.17 41362.86 93587.67 109743.00 105027.00 114700.50 41245.50 28738.00 28426.50 27351.50 16797.00 9534.00 28573.75 8349.50 13625.00 9705.83 9853.80 16457.80 8434.67 16462.00 11689.83 11318.67 11102.80 18899.60 23209.20 9079.33 8685.60 12712.50 5948.00 162.00 117.00 529.00 201.00 140.00 144.00 851.00 332.00 351.00 429.00 387.00 282.00
behenic acid
588.20 548.83 574.67 1493.40 725.33 655.00 706.17 718.50 421.33 617.00 667.00 686.33 361.50 321.50 370.00 481.00 1870.50 449.50 539.00 1124.00 504.50 1219.50 518.50 553.83 573.80 669.80 696.67 695.50 593.50 580.67 397.20 694.80 736.80 582.17 944.20 659.50 554.83 223.00 219.00 555.00 255.00 185.00 244.00 1678.00 438.00 495.00 495.00 263.00 536.00
benzoic acid
2737.60 1842.33 1924.33 5249.40 2266.67 2608.17 1509.50 2378.67 2813.67 2095.57 2004.17 2262.83 782.50 684.50 1685.50 1722.67 1223.50 1022.50 1659.00 927.00 1352.75 1031.50 957.00 1240.33 2530.60 1755.00 2279.83 2481.67 1616.33 2524.50 1817.00 2668.60 1758.00 1552.17 3223.40 3724.50 1704.00 244.00 160.00 337.00 352.00 313.00 310.00 532.00 636.00 700.00 815.00 756.00 977.00
benzylamine
277.40 222.83 265.83 884.20 178.83 303.50 342.83 253.33 195.17 413.43 344.67 295.00 217.50 221.50 267.00 224.00 223.00 257.50 318.00 249.50 273.00 263.00 228.00 448.17 214.80 280.20 207.00 263.83 283.67 223.67 159.00 203.40 223.00 250.67 193.20 140.00 240.00 85.00 89.00 239.00 141.00 137.00 129.00 453.00 201.00 296.00 418.00 249.00 282.00
beta-alanine
1111.80 911.50 1460.67 2561.20 2441.67 2174.83 1047.17 1169.83 1053.00 1523.43 1490.67 1181.50 575.00 398.50 512.50 499.33 610.00 469.00 521.00 444.00 542.25 466.00 534.50 702.83 496.80 593.60 466.33 529.83 408.17 516.50 437.20 643.60 591.60 384.00 429.40 538.25 521.50 240.00 180.00 410.00 379.00 334.00 300.00 1193.00 610.00 798.00 568.00 699.00 274.00
beta-sitosterol
160.40 117.17 167.83 518.40 174.33 149.17 174.83 152.50 107.00 290.00 157.50 170.00 623.00 378.50 845.00 778.67 810.00 804.50 312.00 627.50 799.75 641.00 754.00 259.83 133.20 184.20 231.50 168.67 160.33 170.17 96.40 134.60 192.20 142.83 181.40 137.50 140.83 699.00 424.00 1327.00 918.00 892.00 880.00 5931.00 1661.00 2002.00 1212.00 1812.00 1957.00
bisphosphoglycerol NIST
289.00 512.33 344.67 991.00 351.83 206.83 434.00 411.33 326.17 409.86 302.83 250.50 122.00 120.50 148.50 152.67 145.50 124.00 213.00 125.50 155.00 133.50 141.50 245.00 239.20 270.40 242.83 236.50 288.33 253.50 197.20 225.20 280.60 220.17 234.40 224.75 175.67 48.00 67.00 271.00 98.00 66.00 61.00 508.00 135.00 241.00 139.00 87.00 186.00
butane-2,3-diol NIST
256.20 230.83 378.20 840.00 398.67 284.83 271.67 313.17 673.83 394.71 593.50 317.00 2349.00 2406.00 6991.00 4300.33 911.50 2427.00 4242.00 1625.50 4350.00 1982.50 2505.00 332.20 309.60 322.00 470.17 412.83 385.50 420.83 349.60 463.75 312.00 266.60 381.00 476.25 218.83 66.00 271.00 199.00 405.00 301.00 402.00 578.00 408.00 861.00 616.00 544.00 262.00
butyrolactam NIST
1720.80 1908.50 1389.83 8387.80 2049.50 1488.67 1820.00 1734.67 2090.00 1837.00 1767.17 1582.33 2159.00 2197.00 2915.50 2150.33 2156.00 2497.50 3090.00 2641.00 2630.75 2689.00 2957.00 2450.00 5404.00 1424.00 1676.50 1562.67 2107.67 3010.50 4293.40 6384.00 834.40 2615.67 5148.60 5311.75 4497.17 130.00 101.00 225.00 122.00 118.00 137.00 569.00 322.00 326.00 289.00 142.00 441.00
cellobiose
3067.20 3957.00 880.50 1757.60 3767.67 2144.83 3045.67 3420.00 1323.67 3299.14 2982.83 2742.67 3650.00 3852.00 1166.50 1441.33 3981.00 3934.00 268.00 4251.50 3574.50 1860.50 4679.00 227.83 167.00 148.20 195.00 179.33 156.17 152.50 119.40 163.40 154.60 161.50 213.80 152.75 145.33 57.00 53.00 213.00 84.00 71.00 79.00 532.00 123.00 145.00 199.00 139.00 133.00
citramalic acid
294.00 297.50 282.50 1463.40 289.33 300.00 293.17 290.17 340.00 397.00 284.50 257.17 182.00 246.00 223.50 287.00 214.00 250.00 283.00 297.00 260.75 335.50 254.00 743.33 453.40 629.20 3447.17 629.33 699.83 1403.67 2096.40 394.20 440.00 3900.67 1594.40 2861.75 2251.67 52.00 50.00 283.00 122.00 400.00 699.00 2464.00 132.00 839.00 3406.00 115.00 96.00
citric acid
3702.20 4264.67 2008.67 13168.20 3135.50 2734.83 2222.33 2557.67 2673.50 2211.86 2652.00 2655.67 8836.00 8609.00 7433.50 10324.33 10384.50 9577.00 9944.00 10995.50 10853.00 12443.00 11653.50 5064.67 7602.00 5882.20 7568.00 5561.17 6259.83 10680.00 3434.20 2348.40 6797.20 2789.67 7112.40 4284.75 5581.83 364.00 194.00 1053.00 353.00 417.00 551.00 8039.00 2163.00 1670.00 2162.00 1011.00 1768.00
citrulline
6811.80 8122.00 5360.50 6080.20 9012.83 5993.50 5083.50 6834.33 8458.83 7457.43 6590.83 6635.33 5328.50 5853.50 6401.50 8716.33 4791.50 5930.50 1652.00 6277.50 7226.25 6039.00 5169.00 302.00 141.20 289.20 235.00 267.50 263.00 239.00 209.40 294.40 342.40 224.67 250.80 175.00 143.00 131.00 60.00 161.00 71.00 46.00 67.00 361.00 102.00 169.00 247.00 229.00 133.00
conduritol-beta-epoxide
579.00 744.50 583.67 617.00 638.17 493.17 598.00 591.33 897.33 851.43 640.00 471.33 594.50 537.50 682.50 599.33 651.00 571.00 485.00 669.50 641.75 572.50 601.50 271.17 116.40 163.80 186.00 163.00 152.00 173.67 128.60 115.00 175.40 133.33 182.60 149.75 136.83 56.00 62.00 201.00 62.00 81.00 67.00 398.00 110.00 143.00 193.00 139.00 231.00
cystathionine
1141.80 1663.17 1293.83 1108.40 1297.83 1291.50 648.17 724.17 1374.83 1673.43 1002.67 1011.17 1514.00 1452.00 1322.50 1158.00 1643.00 1514.00 354.00 849.50 1095.25 1291.00 1374.00 225.83 114.20 166.40 156.67 148.83 144.00 173.17 114.20 152.40 186.20 144.50 167.00 118.00 134.83 90.00 52.00 330.00 53.00 61.00 62.00 495.00 87.00 160.00 139.00 145.00 171.00
cysteine
2201.60 1887.50 1159.67 1933.80 983.00 1094.00 2465.33 1195.83 1139.50 1777.00 1171.17 1519.17 1402.50 1060.00 958.00 1475.00 1498.00 1528.00 1492.00 1126.00 1322.50 1286.50 1620.50 730.83 729.80 220.00 669.33 266.50 319.00 315.67 304.20 522.80 384.60 468.17 205.80 317.50 319.67 62.00 56.00 173.00 78.00 81.00 113.00 462.00 132.00 155.00 238.00 99.00 146.00
cysteine-glycine
2676.80 2541.50 1993.67 2623.60 2771.50 1967.17 3062.00 1861.67 2097.17 2230.86 1640.67 1725.17 1253.50 1598.50 1250.50 1766.33 1647.00 1682.00 2241.00 1634.50 1415.75 1808.00 2461.00 1452.67 608.80 881.00 1225.83 917.83 1247.67 776.67 602.80 505.20 1767.00 2088.67 1076.80 1416.75 1569.67 581.00 124.00 489.00 125.00 148.00 177.00 698.00 293.00 281.00 295.00 346.00 365.00
cytidine-5-monophosphate
4638.80 5668.33 3722.00 7271.40 12495.50 6226.83 5717.33 5772.00 10193.00 10139.43 17358.50 9582.50 2261.00 4206.00 4991.00 3861.00 2799.00 2131.50 3816.00 2510.50 2462.00 2298.00 4394.00 644.50 594.20 582.40 530.17 545.50 550.67 549.33 372.00 528.20 548.80 483.17 1608.60 397.50 466.17 160.00 187.00 491.00 155.00 141.00 129.00 901.00 242.00 377.00 337.00 275.00 300.00
cytosin
446.40 394.67 218.33 517.40 197.50 239.50 296.67 410.50 226.17 339.43 275.50 268.50 163.00 171.00 178.00 144.00 120.00 96.00 210.00 185.50 199.50 118.00 189.50 264.17 180.40 170.60 210.83 187.50 188.83 186.17 143.00 154.00 228.40 187.83 211.60 177.25 181.17 65.00 47.00 225.00 84.00 75.00 91.00 582.00 88.00 145.00 155.00 165.00 237.00
deoxypentitol
10930.00 16010.00 4935.00 10959.80 8110.00 7260.33 10070.17 7157.00 10982.50 15386.29 9912.67 7356.67 12893.00 12746.00 4860.00 8751.33 7907.00 12394.50 2604.00 10034.00 8087.25 12835.00 12061.50 2354.67 1080.40 2166.80 5181.17 1778.33 4515.17 3859.00 2476.80 3957.40 5220.40 5973.00 1996.20 1261.50 937.17 232.00 87.00 208.00 90.00 208.00 141.00 4641.00 986.00 523.00 2181.00 255.00 738.00
diglycerol
1362.80 1724.17 1575.00 8998.00 1902.33 1951.83 1797.50 1212.67 1988.17 1968.57 2069.50 2521.67 3969.50 5327.00 3276.50 4602.00 3169.00 2840.50 1364.00 4428.00 1601.25 3257.50 927.50 2150.17 4916.60 1843.40 2889.17 3443.00 2730.67 2994.33 1876.60 1529.40 3755.60 1919.83 3354.60 1860.75 690.00 74.00 76.00 239.00 174.00 153.00 128.00 550.00 229.00 168.00 1356.00 182.00 177.00
enolpyruvate NIST
394.80 264.17 241.83 637.20 390.83 370.33 245.50 337.83 227.83 360.29 337.17 298.50 110.50 74.00 125.50 143.00 115.00 107.00 123.00 112.50 121.50 119.00 133.50 404.00 321.20 242.20 503.00 449.00 288.83 516.17 236.80 422.60 393.40 285.17 442.80 491.00 372.33 48.00 35.00 271.00 86.00 75.00 80.00 481.00 100.00 171.00 124.00 147.00 177.00
epsilon-caprolactam
1924.80 1551.17 1122.67 3324.60 1276.33 1475.67 1311.33 1908.17 1331.17 1593.71 1524.67 2283.83 16722.50 192.00 190.50 183.00 220.50 189.50 163.00 146.00 10658.00 20292.50 285.00 859.50 1621.00 1347.40 2473.00 2191.67 1805.17 2372.83 797.40 2412.80 2373.80 1561.67 1904.00 2401.75 1162.50 58.00 72.00 176.00 99.00 91.00 89.00 481.00 89.00 186.00 257.00 127.00 138.00
erythritol
716.20 642.50 638.83 802.00 647.17 570.67 658.17 767.17 889.00 672.86 536.83 527.67 521.50 503.00 646.50 707.67 613.00 616.00 692.00 681.00 650.25 699.00 643.50 381.50 155.80 188.60 196.33 160.17 180.17 168.83 158.60 185.60 250.60 184.17 194.00 175.50 200.83 68.00 36.00 257.00 36.00 93.00 65.00 592.00 129.00 110.00 195.00 170.00 250.00
ethanolamine
47444.60 51243.33 42541.83 50636.60 52660.50 29258.83 54226.67 57052.83 53099.00 47459.00 70152.67 37079.83 26871.00 26537.00 24252.50 23038.00 31476.00 34697.50 15241.00 25340.50 30351.00 32637.50 23816.50 7365.17 7650.00 5502.20 4449.83 4566.83 3896.17 6198.17 6272.60 8683.40 4250.40 7165.83 6670.00 7137.25 7444.17 104313.00 170680.00 3148.00 1874.00 1627.00 1633.00 758.00 267441.00 5803.00 5120.00 161713.00 84278.00
fructose
376.40 278.17 294.17 1083.40 361.33 318.50 298.33 305.33 258.50 446.86 304.83 265.50 289.00 169.50 239.50 260.33 440.50 371.50 232.00 221.00 222.50 442.00 174.50 507.33 263.60 347.60 327.83 241.33 350.50 348.17 249.80 246.20 362.00 323.00 326.60 339.50 638.83 107.00 91.00 541.00 128.00 76.00 88.00 888.00 255.00 309.00 450.00 262.00 345.00
fructose-1,6-bisphosphate
201.00 137.50 174.17 711.80 194.83 188.33 166.67 167.83 104.33 257.29 161.00 158.83 99.50 103.00 114.50 144.67 101.50 87.50 87.00 105.50 98.25 142.50 144.00 446.83 424.40 532.60 329.17 765.00 331.17 355.50 208.20 303.20 706.00 305.17 387.40 260.25 235.67 74.00 54.00 157.00 86.00 100.00 94.00 411.00 156.00 173.00 171.00 123.00 151.00
fructose-6-phosphate
504.40 615.83 754.00 1456.20 1012.67 544.67 213.00 568.67 233.17 377.29 331.00 206.50 95.50 147.00 164.50 163.67 94.00 102.50 277.00 113.50 206.50 139.50 138.00 834.50 1163.20 1633.80 749.50 1602.50 655.00 712.00 524.00 437.40 1645.80 705.17 768.00 490.00 411.17 81.00 77.00 220.00 90.00 104.00 57.00 398.00 87.00 110.00 121.00 125.00 136.00
fumaric acid
12099.40 11051.33 8251.83 7402.20 10537.67 13039.00 13327.67 11813.67 7914.67 9325.57 9346.33 9067.17 8967.00 6777.00 7259.00 10813.00 12566.00 14731.50 4998.00 2699.00 6380.75 2834.50 5024.00 530.17 789.40 722.00 964.33 966.33 511.17 836.17 716.00 842.40 784.40 323.17 1032.40 931.75 674.00 154.00 85.00 204.00 115.00 177.00 84.00 545.00 202.00 238.00 297.00 232.00 148.00
galactinol
7668.80 8609.00 5506.83 5714.00 8547.83 6327.50 7095.83 7834.00 6761.00 8226.29 6826.83 6342.83 6499.00 6283.00 4938.00 6066.33 5871.50 7051.50 4580.00 5868.50 6596.50 6336.50 6263.00 1183.33 650.80 842.60 885.00 691.00 872.33 867.67 556.40 683.20 820.60 789.50 860.80 697.25 694.67 261.00 237.00 1275.00 332.00 282.00 362.00 2468.00 604.00 959.00 751.00 730.00 818.00
galactose
3811.40 4605.50 3672.33 5673.60 2535.83 2062.33 2743.17 7288.33 458.17 1804.57 653.17 406.50 471.50 586.00 277.00 1481.00 143.50 144.50 23919.00 4863.00 3035.00 704.50 299.50 19205.67 18142.60 115941.00 13819.67 46864.67 35305.33 11579.83 249.00 537.80 14449.80 825.00 3101.80 2838.50 5406.67 116271.00 95.00 243.00 163.00 150.00 98.00 458.00 98.00 179.00 148.00 379.00 151.00
gamma-aminobutyric acid
3997.40 5153.50 5401.33 25327.80 2825.67 10287.33 4929.00 3682.67 6019.17 7142.00 5684.33 4206.00 18037.50 25168.00 14541.50 27218.33 21457.00 32378.50 39744.00 18092.00 26019.25 19000.50 26286.00 4120.00 10059.80 1544.60 559.67 1732.50 1397.00 1010.17 7692.00 4744.80 306.40 1179.50 6821.20 7833.00 6135.17 75.00 44.00 283.00 84.00 103.00 106.00 444.00 198.00 246.00 321.00 328.00 262.00
gluconic acid
142.00 96.33 127.67 501.60 142.83 156.67 144.33 123.17 89.33 182.43 165.33 145.17 114.00 148.50 117.00 156.33 189.50 66.50 192.00 197.00 144.75 163.00 115.00 270.67 181.80 283.80 188.67 186.17 262.50 222.83 113.00 159.40 236.60 184.50 195.60 156.00 204.83 64.00 107.00 279.00 193.00 164.00 188.00 527.00 118.00 278.00 83.00 256.00 121.00
glucose
7413.20 10449.00 9301.50 10522.60 6415.17 8752.00 5795.83 13056.00 4702.50 5835.00 3707.33 2933.50 6224.00 5794.50 8374.50 25661.67 7149.50 6276.00 31994.00 13452.50 19135.25 7260.00 8770.00 5794.50 26341.20 110204.80 20417.17 68316.67 44348.50 17456.17 919.60 1576.40 21649.00 2041.00 5219.40 4909.50 8489.17 118544.00 348347.00 607926.00 441796.00 447384.00 387242.00 5774.00 733.00 50503.00 796.00 37645.00 944.00
glucose-1-phosphate
803.40 672.17 737.83 6902.40 649.50 604.67 668.83 706.00 771.67 684.29 687.83 627.67 607.00 703.00 529.00 761.33 833.00 716.50 833.00 753.00 684.50 761.00 788.50 1334.17 1917.00 1795.60 1509.00 1999.83 1576.33 1580.83 1333.40 1202.20 1693.40 1476.83 2062.40 1464.25 1505.33 102.00 110.00 262.00 73.00 110.00 111.00 592.00 154.00 219.00 212.00 175.00 181.00
glucose-6-phosphate
2205.20 2045.50 1532.50 6257.60 1752.50 1090.50 378.33 871.50 599.83 905.57 441.50 180.83 96.50 144.00 101.00 170.33 198.50 117.50 90.00 173.00 235.25 98.50 158.00 2771.33 4838.60 3735.20 2076.83 1779.33 1315.83 1658.33 2472.60 796.00 3749.40 2650.50 1331.00 1717.00 1871.17 83.00 51.00 330.00 92.00 100.00 86.00 435.00 120.00 155.00 123.00 143.00 158.00
glutamic acid
446116.80 454733.67 463357.67 845004.80 405373.17 452586.50 441468.50 456593.00 430746.50 415999.43 452486.00 431781.00 420234.50 413296.00 387092.50 424719.33 436397.00 441517.00 297656.00 376441.00 398148.50 449968.50 448019.50 185854.83 282628.00 67098.00 251105.00 145117.17 250044.33 288134.00 415270.20 422558.60 189216.40 343213.17 234168.00 334484.50 278580.83 5897.00 362.00 410.00 705.00 4294.00 7003.00 126222.00 35497.00 21253.00 55465.00 11105.00 30535.00
glutamine
26136.00 25083.33 23812.83 23799.00 44492.00 43017.33 33460.50 29427.67 22572.67 22757.86 39299.17 37932.00 2960.50 2454.00 2866.50 3577.67 1317.50 640.50 5927.00 4140.00 3134.25 2044.00 3126.00 1707.33 470.20 2077.60 2447.33 2345.17 2842.50 2101.00 1313.80 1800.00 2089.00 4487.33 1054.40 922.75 771.00 89.00 114.00 510.00 131.00 160.00 128.00 800.00 282.00 386.00 310.00 245.00 335.00
glutaric acid
206.80 94.50 204.50 518.00 263.17 281.83 174.83 108.67 210.83 359.86 288.17 257.83 76.50 106.50 153.00 127.00 84.00 131.00 47.00 61.50 121.50 178.50 126.50 258.83 146.40 100.00 204.50 134.83 144.83 158.67 113.80 181.40 197.80 171.50 196.20 124.00 153.67 33.00 57.00 211.00 71.00 87.00 106.00 610.00 149.00 123.00 207.00 205.00 181.00
glutathione
309.40 137.17 183.00 397.20 209.50 222.50 146.50 137.17 156.50 292.29 201.17 282.17 117.50 147.50 155.50 140.33 120.00 90.00 103.00 189.50 176.25 161.00 139.50 333.83 459.20 201.60 398.00 559.67 335.33 307.00 174.40 244.20 397.20 364.00 233.40 452.00 589.17 85.00 79.00 342.00 60.00 70.00 77.00 342.00 122.00 113.00 131.00 186.00 244.00
glyceric acid
2596.40 3398.83 2199.67 3148.00 2295.50 1977.33 1360.17 1801.50 581.83 1794.14 1885.00 1655.50 3566.50 3627.00 4596.50 2720.33 3743.50 3628.00 1254.00 1753.00 1485.50 2552.00 2659.50 827.00 1598.60 666.20 466.33 698.00 725.17 917.33 726.80 699.60 677.20 443.17 877.00 945.00 984.00 65.00 76.00 173.00 182.00 74.00 84.00 462.00 142.00 231.00 330.00 315.00 244.00
glycerol
16716.60 17785.83 16518.50 226936.40 18967.33 24800.00 20482.50 20145.50 19265.67 20897.71 26642.00 25344.17 12586.00 12093.50 21441.00 23369.33 10928.00 10664.00 23612.00 22742.50 23633.00 25101.50 24725.00 72732.67 66190.00 44575.60 45715.83 58936.50 63473.17 56251.50 53965.00 42101.40 42299.80 65418.17 71817.60 65513.50 65092.17 181.00 279.00 187.00 32142.00 30254.00 30473.00 25354.00 527.00 71000.00 76249.00 394.00 237.00
glycerol-3-galactoside
366.00 501.17 3445.00 4219.40 9189.17 7589.00 1017.50 980.00 1698.50 2422.29 3466.33 3368.00 813.00 641.50 1142.00 636.00 632.00 872.00 362.00 735.50 326.75 690.50 767.00 275.17 199.60 222.60 186.67 237.17 193.33 177.00 123.20 167.40 207.80 170.67 175.40 165.75 169.33 50.00 34.00 342.00 56.00 65.00 63.00 439.00 148.00 224.00 235.00 116.00 98.00
glycerol-alpha-phosphate
664.20 774.67 402.83 5000.80 797.50 776.50 1224.33 895.33 293.83 469.57 823.50 847.50 570.50 1951.50 115.00 188.67 166.50 170.00 177.00 229.00 244.50 162.50 241.50 1155.17 2475.00 1339.20 1395.67 1735.67 1269.00 1636.50 951.00 670.20 1753.60 803.83 1688.40 748.25 731.50 73.00 52.00 180.00 93.00 57.00 52.00 564.00 150.00 208.00 134.00 116.00 133.00
glycine
160365.60 161790.83 155372.83 202076.60 105883.17 120590.67 211128.83 193648.00 167378.50 182353.57 148552.17 124561.50 269212.50 255602.50 228165.50 271933.00 196582.00 220709.00 713400.00 435218.00 314359.75 264205.50 344133.50 33939.83 60802.60 49437.00 40084.67 45449.00 36442.33 34412.17 45442.80 41066.80 29712.20 31409.00 57865.60 27810.00 20817.00 14392.00 22614.00 667.00 32610.00 26961.00 25379.00 5871.00 34287.00 27817.00 17930.00 21223.00 13370.00
glycolic acid
2628.60 2073.67 2603.50 3492.60 3935.17 3510.83 840.67 1813.67 1935.17 2189.43 3142.83 3219.17 1841.50 1681.00 1789.00 1029.33 1673.00 1929.00 503.00 662.50 1531.25 1965.50 2316.00 763.83 1272.20 1180.40 1353.83 1164.00 993.17 1360.50 835.80 1291.40 1231.80 896.50 1362.20 1337.75 879.83 74.00 68.00 403.00 112.00 159.00 144.00 693.00 155.00 361.00 214.00 178.00 221.00
glycyl-proline
1858.20 2137.83 62303.50 1929.80 3388.67 1895.83 4161.17 3655.33 12111.00 5527.43 3298.83 2014.17 14076.00 1184.00 18215.00 13120.33 21059.00 14110.00 987.00 2428.00 2536.50 2906.00 2519.00 3094.00 362.20 1580.80 141.00 279.17 151.50 128.83 108.60 147.80 346.40 173.50 254.00 131.50 138.50 80.00 42.00 264.00 73.00 72.00 69.00 347.00 133.00 140.00 129.00 140.00 206.00
glycyl tyrosine
1402.40 2294.33 3192.50 1158.00 1787.67 1227.00 1251.00 1712.67 1837.33 1876.29 1354.00 927.17 2605.50 2809.00 2240.50 2000.67 2259.50 2844.00 1133.00 2292.00 2549.25 2293.00 2476.50 220.00 133.40 154.60 163.83 126.83 159.67 148.17 105.60 146.00 176.60 148.00 149.40 152.75 122.83 61.00 47.00 180.00 133.00 93.00 77.00 435.00 156.00 125.00 156.00 178.00 134.00
guanidinosuccinate
512.20 669.33 342.67 706.60 528.33 404.67 467.33 463.00 560.17 687.86 589.50 384.00 134.00 74.50 375.00 273.00 399.50 343.00 185.00 326.00 330.25 389.50 335.00 225.50 138.00 194.80 189.50 132.50 210.83 172.33 108.40 160.80 167.00 173.67 152.00 163.00 136.50 57.00 38.00 169.00 71.00 68.00 75.00 564.00 102.00 96.00 132.00 162.00 121.00
guanine
2594.40 1661.83 1926.00 1223.00 891.00 764.67 993.83 1278.17 2983.50 1974.14 661.67 989.00 1045.00 871.50 714.50 866.67 1030.00 813.00 623.00 912.50 916.75 370.00 805.50 374.67 203.20 253.20 573.83 287.00 410.67 474.00 116.40 152.20 220.00 162.17 364.00 237.75 215.00 69.00 62.00 271.00 96.00 72.00 54.00 370.00 166.00 174.00 147.00 153.00 211.00
guanosine
1426.00 724.33 928.83 800.40 518.50 461.00 800.83 1078.83 833.83 755.14 451.00 967.50 93.00 93.50 160.50 206.00 155.50 110.50 338.00 169.00 356.25 112.50 105.50 240.67 153.60 183.00 255.17 182.00 205.33 226.67 112.00 154.80 165.80 143.83 167.60 124.50 151.67 46.00 58.00 370.00 72.00 77.00 74.00 379.00 114.00 148.00 172.00 210.00 138.00
heptadecanoic acid
1151.40 865.33 1182.50 3548.20 1313.33 1225.17 1194.33 1201.17 1493.00 1637.14 1433.33 1592.67 1259.50 1215.00 1760.00 2405.33 14382.00 1440.00 2648.00 1748.00 1684.25 1519.00 1691.50 857.33 955.20 1417.60 1285.00 1139.83 1012.33 1329.67 837.80 1144.40 2100.20 1238.67 1477.40 1091.00 1306.17 261.00 254.00 552.00 161.00 157.00 172.00 1045.00 371.00 381.00 775.00 311.00 486.00
hexitol
1186.00 704.00 508.17 963.40 1626.83 791.33 221.50 1372.83 612.00 902.43 1121.17 1220.33 224.50 250.00 150.50 198.00 822.50 212.50 89.00 167.00 206.75 190.00 185.00 277.67 134.80 154.00 152.17 152.17 151.33 162.17 165.40 147.00 179.60 154.50 181.40 158.50 142.17 91.00 1009.00 1678.00 86.00 97.00 93.00 319.00 107.00 166.00 120.00 117.00 219.00
hexose-6-phosphate
349.40 332.00 394.00 658.00 611.67 544.33 273.00 371.67 342.17 391.29 299.67 268.00 173.00 90.00 87.50 116.67 112.50 106.00 107.00 87.00 106.25 177.00 132.00 451.50 503.20 493.80 342.33 371.50 301.00 270.33 211.00 280.20 324.80 289.67 246.00 221.50 267.17 58.00 48.00 232.00 75.00 80.00 69.00 592.00 94.00 140.00 115.00 143.00 244.00
histidine
123868.40 144199.33 125133.50 81409.20 148969.50 123759.17 167518.17 127295.50 162188.00 182584.29 127797.33 147283.00 33851.50 28476.00 103200.00 110057.33 103839.00 106549.50 66563.00 124423.50 123084.75 125070.50 132737.00 1326.00 1046.00 948.60 662.17 1285.00 1032.17 726.83 731.20 1103.20 1390.00 1034.50 741.80 1354.25 2114.83 959.00 2109.00 3768.00 2562.00 2610.00 2303.00 1512.00 247.00 816.00 325.00 505.00 310.00
homocystine
603.00 880.67 437.67 1430.60 556.50 500.17 363.50 472.00 696.00 566.43 407.17 488.17 581.00 539.00 622.00 628.00 476.00 621.50 297.00 519.50 613.75 572.00 611.50 656.50 254.00 309.20 441.50 535.67 348.00 439.33 381.80 462.60 388.20 666.67 684.00 882.25 1605.50 73.00 57.00 201.00 40.00 42.00 65.00 356.00 135.00 163.00 137.00 156.00 123.00
homoserine
2538.40 2661.50 2057.33 1816.20 1657.00 2205.50 2127.33 2231.83 2257.50 2305.00 2098.67 2340.00 2190.50 2176.50 1841.50 1985.33 2286.00 2292.00 1884.00 2266.00 1957.75 2125.50 2190.50 475.17 404.80 270.40 343.00 488.17 478.17 462.00 214.00 241.80 287.60 307.00 392.80 621.00 384.67 36.00 54.00 241.00 101.00 66.00 86.00 513.00 157.00 176.00 203.00 145.00 163.00
hydroxycarbamate NIST
12250.80 12833.00 6601.50 30414.60 15969.67 14389.67 10931.17 17145.50 9571.67 10075.00 15666.83 15428.17 467.00 343.00 420.50 374.33 511.00 584.00 196.00 502.50 472.25 572.00 542.50 5845.83 9439.20 5347.20 10031.33 10695.17 9820.50 11430.00 7353.60 7356.20 10427.60 8620.83 10581.80 10083.25 9895.50 421.00 479.00 197.00 683.00 687.00 780.00 638.00 1163.00 1572.00 1275.00 1081.00 1634.00
hydroxylamine
74432.40 59150.50 41682.33 395094.40 92593.00 84625.83 57591.67 78956.50 47362.00 53970.86 87709.83 85477.50 6916.00 7582.00 5225.50 2542.33 6128.50 6682.50 216.00 6842.00 6041.50 7413.50 5792.50 109105.17 151204.40 159498.20 187071.50 166068.33 173910.83 184532.50 124472.60 170382.60 164207.40 156162.83 173458.00 150605.00 124266.50 11689.00 9865.00 955.00 11634.00 13525.00 10552.00 416.00 16542.00 29755.00 16305.00 20328.00 26758.00
hypoxanthine
23228.80 35063.67 42660.67 27463.80 48225.67 29187.83 25227.33 22518.00 26974.67 32834.14 32529.67 20787.33 24629.50 25104.00 20340.50 17544.67 21014.50 20704.50 9664.00 14663.00 8828.50 8640.50 8976.50 3093.17 4430.60 4301.20 2529.67 4421.50 4115.00 3410.50 1226.20 1859.00 7068.60 1656.50 3808.20 1245.00 875.67 76.00 58.00 157.00 80.00 79.00 74.00 495.00 71.00 166.00 206.00 127.00 171.00
inosine
4295.00 2863.83 3799.67 2329.40 4434.33 4137.33 4021.83 4562.17 1958.50 2258.29 3118.67 4016.83 155.00 125.50 226.00 125.33 224.50 108.50 1527.00 662.50 1166.00 116.50 140.00 461.83 213.80 652.60 425.33 228.17 346.50 266.67 104.80 116.80 421.40 201.17 178.80 133.25 166.83 34.00 43.00 281.00 77.00 64.00 74.00 421.00 114.00 118.00 118.00 140.00 197.00
inosine 5^-monophosphate
415.60 416.33 315.33 801.60 461.50 1013.33 352.50 434.50 292.17 485.86 401.50 335.67 111.00 135.50 353.00 253.33 186.50 213.50 384.00 361.50 410.75 162.50 196.50 248.67 356.00 412.20 259.50 370.83 243.33 238.67 105.60 172.20 388.40 164.33 261.00 152.25 153.50 50.00 73.00 295.00 76.00 65.00 61.00 527.00 118.00 101.00 172.00 178.00 154.00
isohexonic acid
115.80 94.67 279.00 493.80 161.67 139.67 128.33 128.17 89.33 175.86 160.67 153.17 114.50 148.50 119.50 130.00 189.50 66.50 192.00 253.50 185.75 163.00 139.00 378.00 175.80 487.40 276.33 358.67 262.83 290.83 113.00 161.20 268.20 198.67 195.40 245.25 222.83 64.00 50.00 187.00 110.00 85.00 102.00 527.00 118.00 108.00 83.00 256.00 121.00
isoleucine
865933.00 899183.67 866916.83 570873.60 837584.17 885374.17 911285.83 909662.17 999570.83 955346.29 944680.67 928153.50 925333.00 944892.50 943613.50 918666.67 963015.00 944914.50 1096661.00 1016046.00 1046350.75 1023944.50 1148335.50 4416.17 2821.00 6136.60 1878.33 2296.00 3313.17 2445.33 6527.20 5463.20 3303.20 6802.67 12576.00 6745.50 10160.17 1625.00 349.00 353.00 336.00 2374.00 140.00 1035.00 676.00 734.00 589.00 398.00 2282.00
isomaltose
216.40 150.17 283.50 433.20 210.17 206.67 151.00 175.33 172.67 281.14 162.83 167.00 112.00 135.50 109.50 165.00 257.00 193.00 230.00 130.50 151.25 229.00 145.50 254.67 141.60 391.00 179.67 150.00 187.00 169.00 127.60 229.80 167.40 328.83 206.60 152.75 153.33 82.00 48.00 257.00 117.00 102.00 91.00 384.00 102.00 184.00 140.00 255.00 153.00
isorhamnose
1461.40 1811.00 1933.17 1361.40 1497.67 1416.50 1716.67 1451.00 2349.83 1905.14 1586.67 1382.33 1657.50 1872.50 2327.50 2029.00 2008.50 2029.00 2003.00 1984.00 2115.00 2265.50 2189.50 824.50 164.40 211.80 255.17 279.00 225.33 244.17 151.80 299.00 319.40 369.50 300.40 290.00 199.67 43.00 94.00 199.00 154.00 100.00 59.00 934.00 162.00 326.00 238.00 228.00 262.00
isothreonic acid
848.40 1041.50 1413.33 1049.00 838.00 821.33 809.00 836.17 2224.33 1265.86 881.17 763.83 795.50 757.50 1436.00 1315.33 896.50 914.50 936.00 1007.00 1174.50 1021.50 949.00 253.17 180.60 173.60 196.17 183.33 191.17 183.33 147.20 205.20 146.20 221.33 262.40 146.25 174.00 78.00 50.00 201.00 84.00 61.00 89.00 374.00 120.00 163.00 131.00 170.00 184.00
kynurenine
262.80 242.17 992.33 613.60 309.50 252.17 215.67 242.17 1213.83 338.43 258.33 239.33 151.00 185.00 1128.00 489.00 164.00 153.00 199.00 230.50 457.75 274.00 203.50 259.83 157.00 164.20 253.67 188.50 202.33 198.33 141.60 165.20 194.60 181.67 174.60 179.25 155.83 35.00 62.00 276.00 106.00 62.00 61.00 453.00 107.00 148.00 163.00 189.00 161.00
lactic acid
3807.80 3068.33 1943.67 5042.80 3343.00 3635.50 1187.33 3326.83 1831.50 2344.14 2263.17 2524.33 5316.00 5033.50 3002.00 750.67 1171.50 2038.50 700.00 462.50 552.75 770.00 1354.00 1106.83 1299.40 1496.60 1732.33 1578.00 1815.50 1961.83 1071.80 1556.40 1813.40 1392.00 1906.80 1497.25 1250.17 1499.00 251.00 12121.00 345.00 888.00 2595.00 31502.00 842.00 1353.00 19199.00 2449.00 15050.00
lactose
133.40 115.50 161.83 504.20 172.00 198.00 114.50 114.33 126.83 291.43 145.83 162.50 277.00 161.50 176.50 193.67 283.50 133.00 96.00 199.00 312.00 268.50 190.50 309.83 209.40 271.60 258.50 294.33 238.50 228.00 139.20 181.20 259.40 235.50 263.60 183.50 226.00 57.00 65.00 199.00 78.00 81.00 74.00 680.00 139.00 284.00 362.00 156.00 209.00
lauric acid
2853.00 3515.67 3088.83 8520.00 3356.33 2539.67 3469.83 2456.00 4877.00 3980.86 6685.83 4610.00 3718.00 2974.50 4233.50 4323.00 3723.00 3588.00 5809.00 3117.50 3910.00 5383.50 4616.00 2462.67 2989.80 2669.40 1922.83 5342.67 2394.17 3000.83 2182.60 2564.00 3423.60 1689.83 3572.20 2887.25 4584.83 63.00 54.00 1582.00 513.00 431.00 359.00 3966.00 216.00 1462.00 1410.00 189.00 219.00
leucine
1900922.40 1597014.67 1885331.17 1209186.00 1560169.50 2073782.33 1838217.33 1979073.67 1565422.67 1825276.00 1971073.33 2055478.00 1828043.50 2019710.00 1997846.50 1979655.33 1975129.50 1910386.00 2043329.00 1997302.00 2121460.50 2014370.50 1298194.50 14140.50 14200.40 3537.00 8246.83 7213.17 5807.83 5202.67 3440.80 5587.00 6914.00 3960.17 3881.60 3588.25 2618.50 7185.00 520.00 332.00 301.00 2033.00 425.00 629.00 381.00 194.00 996.00 994.00 1007.00
levoglucosan
433.80 520.83 868.83 1600.40 510.83 421.83 433.33 405.17 1160.83 689.43 499.17 353.17 865.00 825.50 1394.00 1217.67 841.50 757.50 1211.00 942.50 1006.75 829.00 976.00 496.33 426.20 356.20 346.83 314.67 390.50 317.17 270.20 278.80 375.40 343.00 371.60 278.75 291.83 51.00 57.00 344.00 106.00 65.00 73.00 259.00 92.00 148.00 198.00 136.00 134.00
lysine
845598.20 745572.67 657153.00 446259.20 866433.67 703079.50 817075.17 803814.67 511423.67 526702.86 583904.50 821308.83 275943.50 201815.50 492089.50 494453.67 296337.00 379257.00 39308.00 322559.00 215158.75 303450.00 398677.50 9710.67 9817.00 3960.40 3779.67 9380.17 6134.33 4802.17 6735.00 11549.60 11112.00 5414.33 6380.20 14153.00 24768.00 2843.00 69.00 534.00 81.00 159.00 119.00 670.00 171.00 326.00 230.00 156.00 280.00
lyxitol
2519.00 3305.00 672.50 1598.20 1871.83 1525.00 2408.33 2665.00 905.50 2169.71 1617.00 1316.00 3801.00 3468.50 1075.00 3385.00 4376.00 4089.00 4079.00 4700.50 3544.75 4598.00 4457.00 308.50 285.00 200.40 192.50 164.83 231.67 191.67 142.40 125.20 154.00 130.50 176.40 279.75 373.33 75.00 90.00 314.00 89.00 83.00 50.00 670.00 182.00 238.00 235.00 136.00 146.00
maleic acid
969.40 1112.67 729.33 935.00 975.33 1046.83 842.17 1038.17 801.50 1288.00 854.33 742.00 478.00 290.50 432.50 511.33 593.00 567.50 641.00 285.00 549.75 537.00 712.00 210.83 158.20 177.00 221.83 176.67 215.00 184.00 128.80 146.40 152.20 160.83 212.60 168.25 148.00 65.00 57.00 279.00 62.00 74.00 59.00 439.00 85.00 228.00 163.00 117.00 275.00
maleimide
20073.80 25346.17 15294.83 10115.00 19730.83 14661.83 17234.50 20936.83 30338.17 25068.14 18317.50 11657.67 13789.50 16922.50 20746.00 25503.67 17506.00 24951.50 34689.00 14931.50 24795.25 19787.00 20170.00 415.17 350.60 313.20 421.67 414.50 348.67 498.00 187.40 344.40 424.60 280.17 373.40 299.75 339.00 56.00 87.00 250.00 56.00 140.00 62.00 476.00 109.00 281.00 115.00 156.00 118.00
malic acid
7520.20 7700.83 7489.50 5702.20 7677.50 9765.33 14126.67 8729.33 5041.00 4601.29 5158.50 6288.50 2018.00 1411.00 2688.00 1716.67 2854.00 2661.50 426.00 135.50 1072.50 130.50 391.00 344.50 602.40 568.40 807.67 292.00 449.33 352.00 434.60 564.80 538.40 645.50 240.20 475.25 915.00 89.00 64.00 271.00 76.00 61.00 82.00 550.00 145.00 224.00 129.00 167.00 144.00
maltotriose
159.60 96.83 124.50 746.00 149.83 177.83 158.17 145.83 102.33 207.71 119.17 143.67 129.00 74.50 100.50 170.33 105.50 98.00 114.00 110.00 98.50 114.00 98.50 215.50 186.60 286.80 219.50 312.67 211.50 267.33 169.60 188.20 192.00 212.00 377.40 196.00 244.83 41.00 80.00 213.00 78.00 68.00 72.00 370.00 101.00 163.00 281.00 185.00 143.00
mannose
363.60 1746.67 1518.17 2222.00 1678.67 310.50 554.83 6666.50 144.00 442.00 712.83 371.17 234.50 1475.00 174.50 345.67 288.00 110.50 37115.00 185.00 219.00 176.50 194.00 25827.67 30438.20 183.20 23159.00 68138.00 16890.67 9225.17 437.80 578.60 358.40 512.50 5692.60 3755.75 6684.17 169946.00 124.00 304.00 311.00 150.00 161.00 481.00 111.00 469.00 150.00 362.00 184.00
mannose-6-phosphate NIST
2962.20 2413.17 4055.83 9070.00 1526.33 1231.33 434.33 1604.33 728.00 1146.71 343.33 186.83 166.00 158.00 125.50 169.33 143.00 154.50 128.00 161.00 138.25 170.00 174.00 1855.50 8383.60 5113.20 2989.50 1695.00 1522.50 2011.67 4227.60 1837.60 5379.00 4208.17 1075.20 2131.00 3022.67 78.00 57.00 199.00 101.00 78.00 86.00 587.00 130.00 176.00 169.00 119.00 151.00
methionine
158595.40 182988.50 151404.00 101508.60 135112.83 160001.17 177519.00 146807.83 212108.00 210795.00 164937.67 158053.50 217263.00 202073.50 147213.00 207427.33 222978.50 220675.00 208889.00 214896.50 206424.75 226329.00 233083.00 593.17 717.00 494.80 402.50 879.83 588.67 613.33 290.00 378.60 663.60 446.83 471.40 481.50 402.00 165.00 65.00 274.00 65.00 107.00 43.00 513.00 122.00 705.00 206.00 146.00 151.00
methionine sulfoxide
24164.20 40486.00 71096.67 22434.20 28233.17 19870.67 28038.33 29377.67 49955.50 26344.00 27364.67 21752.33 28232.00 29191.00 96786.50 41124.67 27334.00 21862.50 19030.00 32018.50 33050.00 23208.50 18281.50 3905.67 4203.60 2550.20 2289.83 3144.83 2851.17 2435.17 4388.80 1873.80 3267.40 3777.83 4541.40 5510.00 7816.00 315.00 259.00 889.00 300.00 267.00 289.00 1595.00 351.00 598.00 517.00 524.00 426.00
methylmaleic acid
254.00 171.33 181.17 539.20 254.83 222.00 151.83 256.83 177.67 259.71 225.67 204.50 132.50 113.50 174.00 134.33 141.50 86.00 125.00 158.00 112.25 110.50 133.00 281.00 225.60 207.80 322.17 356.83 266.33 278.67 200.00 247.40 307.40 222.00 308.20 286.75 278.83 38.00 43.00 215.00 82.00 60.00 72.00 610.00 116.00 183.00 185.00 170.00 206.00
myo-inositol
8504.20 10475.67 10375.33 5240.20 10107.50 7759.33 8753.00 8518.67 14255.33 11392.43 8291.33 7830.00 8099.50 8084.00 10491.50 8072.33 8251.50 8201.50 4669.00 9508.50 9700.75 10144.00 9768.50 318.67 172.00 136.40 148.33 151.50 170.17 158.83 101.20 134.20 193.40 192.50 150.20 121.75 124.17 64.00 50.00 232.00 56.00 79.00 64.00 342.00 132.00 136.00 112.00 200.00 139.00
myristic acid
6341.20 5878.50 7364.17 18824.40 6368.83 5692.50 7274.83 6441.00 11846.33 10978.29 5878.50 5943.00 4706.00 4602.50 6048.50 4641.00 2031.00 8129.00 2906.00 5582.00 5461.50 9684.00 9633.00 3309.33 3847.60 5407.00 5228.17 5266.50 4190.00 5214.83 3886.00 5003.40 6958.00 4424.83 6260.00 4639.75 5083.83 1536.00 1158.00 1954.00 450.00 538.00 444.00 3485.00 1319.00 1208.00 1757.00 1663.00 1650.00
N-acetylaspartic acid
485.20 575.83 1788.33 9404.80 1550.17 920.67 765.83 867.50 2724.50 1831.29 11741.83 5850.83 236.00 293.00 339.00 493.33 320.00 324.00 454.00 375.50 539.00 653.50 395.00 4112.50 6901.60 7633.80 1190.83 15584.83 3023.00 3071.83 3685.80 4243.40 7128.20 1385.50 3933.40 4646.50 12084.50 245.00 322.00 924.00 680.00 487.00 233.00 5792.00 1349.00 2969.00 834.00 1704.00 1222.00
n-acetyl-d-hexosamine
539.20 960.67 788.83 762.00 1065.50 647.67 616.17 775.67 1035.50 921.29 899.33 594.50 565.00 414.50 1639.00 2202.00 1350.00 606.00 865.00 562.00 474.75 1344.00 487.00 258.67 160.40 169.60 174.83 171.33 178.00 175.83 111.40 153.60 184.20 148.33 169.60 153.25 126.17 44.00 58.00 218.00 87.00 79.00 64.00 411.00 103.00 145.00 85.00 152.00 101.00
n-acetylglutamate
1397.80 1779.83 975.00 2669.60 1506.67 1775.67 1175.83 1536.67 1479.00 1624.00 1514.33 1622.83 515.50 516.00 727.00 922.33 1016.50 702.50 877.00 891.00 713.25 644.50 819.50 1150.00 1152.00 1533.00 1257.50 1366.33 1438.83 1149.17 1199.20 808.40 1481.60 1354.50 1430.00 1285.75 1373.17 114.00 87.00 545.00 187.00 169.00 119.00 1068.00 434.00 405.00 297.00 309.00 332.00
N-acetylornithine
5007.00 310.83 1582.67 584.60 963.17 264.33 331.00 424.67 523.50 471.43 369.50 257.00 152.00 255.00 442.50 302.00 252.00 316.00 536.00 310.50 216.50 173.00 160.00 312.00 233.40 797.60 198.00 196.00 252.17 228.17 164.80 160.60 262.60 1051.17 272.20 265.00 239.33 54.00 161.00 386.00 86.00 213.00 121.00 550.00 133.00 165.00 158.00 136.00 151.00
N-acetylputrescine
7589.20 7624.67 8395.50 6335.00 12738.17 8898.83 3574.00 4917.33 11195.00 7385.86 5099.17 6459.17 10446.50 13464.00 14787.50 9169.00 10178.00 10724.00 3774.00 10068.00 9628.75 10674.00 8972.50 717.67 661.60 1120.80 653.33 906.83 985.83 804.50 61544.20 1135.80 862.60 526.17 665.20 822.75 1871.50 149.00 86.00 517.00 152.00 136.00 191.00 740.00 242.00 419.00 282.00 245.00 360.00
N-carbamoylaspartate
19947.60 18437.33 18210.50 35397.40 24803.00 20199.67 23612.33 19725.50 18286.33 16771.00 23660.33 19902.50 14813.50 13504.50 16128.50 13049.67 11391.00 11044.50 771.00 14951.00 14929.00 15299.00 14738.50 13891.17 17895.40 33080.00 2194.83 34058.00 7807.00 5689.83 1953.60 708.00 16766.40 1208.83 5269.40 2029.75 2621.17 768.00 1159.00 1793.00 916.00 1418.00 933.00 14515.00 2827.00 8932.00 2208.00 1752.00 2606.00
N-carbamylglutamate
500.60 565.67 465.33 549.40 540.00 436.50 543.67 474.50 634.00 590.00 475.83 527.67 342.50 236.00 336.00 434.00 316.00 227.00 367.00 334.50 402.50 426.50 386.00 286.83 196.80 671.20 217.50 351.00 276.50 179.33 149.60 135.20 242.60 159.67 182.20 225.25 184.50 534.00 1444.00 2102.00 122.00 1849.00 67.00 287.00 127.00 435.00 129.00 298.00 187.00
nicotinamide
1676.80 827.67 1485.50 3038.40 1545.83 2724.50 1267.50 1016.00 1570.00 1633.86 1832.67 2778.67 2923.50 2933.50 2450.00 2428.33 2896.00 2811.00 1416.00 2257.50 1165.75 1773.00 1551.50 1221.67 1215.00 1079.40 1456.00 1237.50 1471.17 1430.50 775.00 1561.00 1890.80 901.67 1218.00 1228.50 1077.67 74.00 55.00 253.00 92.00 78.00 99.00 527.00 110.00 199.00 219.00 186.00 181.00
nicotinic acid
10936.40 11646.83 9877.67 7054.40 9959.17 10282.33 9294.33 10594.17 11673.83 11693.43 11533.67 8857.83 4256.50 4078.00 4986.50 6467.33 6051.50 5920.50 9813.00 7203.00 8738.75 8124.50 8741.00 271.17 224.40 234.20 264.33 222.50 251.67 298.50 154.40 212.00 240.20 201.83 284.00 207.50 185.50 47.00 63.00 215.00 90.00 62.00 60.00 458.00 125.00 143.00 183.00 160.00 242.00
N-methylalanine
108233.40 67507.50 23017.50 52689.80 77924.17 102770.17 20261.83 34494.50 36352.33 41195.57 48774.50 37452.50 13836.00 9804.50 5501.50 10380.00 7091.50 9487.00 20504.00 16325.50 21987.00 25502.00 28798.50 8768.67 6487.40 6546.80 8808.50 9832.50 9617.67 10911.67 2574.60 2013.60 9244.40 5587.17 10611.60 7048.25 8975.83 979.00 1286.00 279.00 4561.00 802.00 491.00 508.00 1279.00 962.00 2087.00 115.00 6296.00
norvaline
832.20 822.50 670.17 51173.20 1220.17 1005.67 794.67 1015.33 994.50 979.00 961.00 925.33 718.00 822.50 635.00 767.67 726.00 934.50 647.00 921.50 768.75 904.00 1020.50 22940.50 11686.60 7254.20 48581.83 17352.50 40370.67 50758.00 27520.80 23736.60 32195.00 45982.33 36932.40 47528.75 50510.00 671.00 40.00 260.00 170.00 1762.00 2507.00 1160.00 5553.00 1097.00 12329.00 2836.00 15413.00
octadecanol
358.60 327.17 309.50 637.20 444.67 327.50 330.17 352.50 294.83 394.71 438.83 352.00 222.00 233.00 206.50 294.67 269.50 260.00 227.00 250.00 296.75 234.00 251.50 231.83 241.20 262.80 297.00 230.83 282.83 236.67 223.00 266.80 217.20 244.83 380.80 205.00 204.83 155.00 65.00 281.00 134.00 79.00 50.00 934.00 287.00 189.00 140.00 249.00 343.00
oleic acid
4052.20 15019.67 3996.00 17402.00 7086.67 3119.33 3250.50 1322.00 5201.33 8036.57 6320.33 5001.50 10985.00 11177.00 13874.00 17211.67 16654.00 18970.00 15040.00 16562.00 10641.25 17314.00 18771.50 668.17 1835.00 960.60 667.33 2056.50 760.17 889.17 526.80 1683.80 1578.80 379.17 14691.00 452.00 405.83 51.00 65.00 101.00 490.00 48.00 371.00 106.00 40.00 30.00 108.00 64.00 108.00
ornithine
80788.20 113206.17 292129.17 300598.00 84468.33 72425.83 98825.83 66798.33 409053.33 127500.00 79599.67 74202.67 107452.00 122288.50 322636.00 150118.33 110785.00 128029.00 30951.00 128909.50 158735.00 120434.00 110436.00 2067.50 56471.60 2703.00 3139.00 29638.00 3462.33 3073.00 34403.00 3786.80 4763.40 30210.50 2357.00 1791.00 3888.00 674.00 196.00 662.00 282.00 238.00 273.00 2949.00 683.00 635.00 1102.00 491.00 804.00
orotic acid
1092.80 1264.67 1102.17 72350.60 925.33 487.50 1204.50 1248.00 10170.67 8204.86 43487.83 17307.00 942.50 798.50 1099.50 2753.00 952.50 756.00 933.00 1198.50 3477.75 5195.50 4098.50 30746.00 50155.20 40112.60 8968.17 37797.83 17386.00 19658.67 19367.80 8046.80 35490.60 10582.83 28071.60 10208.50 9952.33 431.00 701.00 1650.00 1238.00 743.00 905.00 20362.00 2665.00 8560.00 2525.00 3535.00 1785.00
oxalic acid
445.00 232.00 283.50 839.00 234.33 447.17 257.67 364.50 411.00 418.71 276.83 591.50 257.00 198.50 301.50 237.00 229.00 238.50 257.00 216.50 288.25 300.00 316.50 346.50 430.40 199.20 524.83 381.50 278.83 366.17 200.80 398.00 376.80 264.33 668.40 468.75 279.17 50.00 46.00 309.00 59.00 83.00 66.00 481.00 109.00 165.00 286.00 122.00 171.00
oxoproline
990315.20 1075408.50 1027500.83 743249.00 894485.33 920347.67 1015207.17 1013634.50 1127061.83 921984.43 993609.33 939323.00 1410194.00 1403442.50 1376216.00 1629947.00 1475017.50 1471769.50 1569870.00 1529201.50 1534171.00 1626898.00 1658510.00 69934.50 81209.60 82820.60 197369.00 106702.83 124543.17 184285.17 104325.60 177725.20 155674.60 170665.83 86947.00 125980.00 77799.00 5210.00 547.00 176.00 972.00 2459.00 9394.00 74783.00 38998.00 12897.00 28613.00 12669.00 32663.00
palmitic acid
11843.80 8422.00 10365.67 21901.20 14255.33 11780.67 10718.67 11340.00 8753.17 14136.57 10730.83 12420.00 1479.00 1923.50 2445.00 3070.33 2194.50 1526.50 2730.00 2541.50 2450.50 2022.50 1970.00 7766.67 10459.40 12523.60 14833.33 13295.83 10838.50 11634.67 8948.00 14797.00 17915.60 11446.33 15110.80 12925.25 14029.00 2872.00 2210.00 2450.00 950.00 921.00 817.00 5824.00 1900.00 2016.00 2770.00 2175.00 2526.00
palmitoleic acid
2785.80 1979.33 3599.00 9607.80 7500.00 2952.83 5187.00 2144.17 3869.67 7113.29 4646.67 3257.33 1214.00 1128.50 3576.00 2217.33 1330.00 1330.50 3327.00 1477.00 2110.00 1474.50 2240.50 649.00 1431.20 676.60 638.83 1894.67 771.17 704.33 536.00 962.20 1138.40 375.83 4261.60 479.75 513.50 247.00 160.00 414.00 90.00 78.00 83.00 652.00 184.00 209.00 362.00 179.00 279.00
pantothenic acid
491.20 576.50 455.67 708.80 1030.00 1004.33 589.83 653.83 690.50 577.57 539.33 747.83 403.00 392.00 403.00 417.67 402.50 420.00 85.00 494.50 444.00 476.50 372.00 278.67 160.60 207.40 147.33 147.17 172.50 143.67 107.40 150.40 185.80 158.83 181.20 142.00 152.17 61.00 35.00 171.00 119.00 70.00 90.00 726.00 107.00 155.00 152.00 146.00 136.00
parabanic acid NIST
1338.80 1588.50 1364.17 3966.20 1356.50 1043.50 1903.33 1566.83 1646.33 1458.29 1606.33 1583.33 618.00 581.00 14774.50 4306.33 664.50 20072.00 597.00 568.50 983.00 809.00 881.50 748.50 1052.20 1093.40 827.50 1533.83 1075.33 1064.83 588.80 684.80 980.40 682.67 996.00 955.00 829.17 128.00 85.00 206.00 596.00 699.00 662.00 361.00 202.00 1502.00 1393.00 302.00 196.00
pelargonic acid
2756.20 2403.83 2535.17 12583.80 2444.67 2660.17 2083.50 3582.00 1995.17 2514.00 2924.00 4318.33 1223.00 1301.50 1055.00 2148.67 1248.50 1270.50 1243.00 1511.50 1260.75 1554.00 1430.00 2258.83 3196.00 3017.20 3578.33 3648.00 2965.00 4640.50 2577.40 3647.40 2700.80 2784.00 4653.00 3806.75 3144.17 828.00 531.00 332.00 904.00 623.00 733.00 864.00 1453.00 1584.00 1967.00 1940.00 1700.00
pentadecanoic acid
1664.20 1681.83 1613.17 3121.80 2759.67 2180.33 1978.33 2347.50 2166.67 2516.00 1858.83 1839.00 656.00 695.50 815.50 940.67 815.50 6490.00 687.00 899.00 3700.25 6537.00 6060.50 789.00 825.40 1566.80 988.50 1276.67 962.83 1046.50 740.40 853.20 1429.20 777.67 1071.20 811.50 870.17 702.00 1778.00 2394.00 1861.00 2304.00 1689.00 1109.00 314.00 600.00 586.00 314.00 350.00
phenylacetic acid
965.00 636.67 745.83 948.60 448.83 1568.83 382.67 494.67 592.00 658.43 538.00 523.17 93.00 104.50 204.00 211.67 236.50 187.50 166.00 275.00 216.50 261.00 282.00 397.17 158.40 2490.60 266.33 339.17 165.50 147.33 141.40 1282.40 278.40 176.00 217.20 222.00 241.50 42.00 47.00 267.00 95.00 54.00 89.00 402.00 110.00 184.00 182.00 126.00 111.00
phenylalanine
502598.80 534246.67 594705.17 327078.00 456154.50 480222.50 541985.17 519857.33 671660.83 556317.43 533684.33 500680.67 731196.00 728087.50 735653.00 821330.67 757574.50 736384.00 755575.00 795446.00 790120.50 829451.00 862476.00 3885.00 5100.20 1645.20 2107.17 1402.83 1869.83 1760.33 2741.40 4074.40 1733.40 1446.00 1494.40 5530.75 2509.00 977.00 183.00 424.00 126.00 169.00 153.00 1012.00 307.00 367.00 308.00 384.00 375.00
phenylethylamine
30810.80 18138.83 6572.33 8001.00 9714.00 13761.00 20384.50 23799.67 6346.00 10369.00 13117.00 14102.17 1150.00 2067.00 2337.50 2197.00 1454.00 2720.50 1409.00 1864.00 1678.00 2636.00 1198.50 241.33 176.20 142.40 157.50 163.33 171.33 156.00 125.80 135.20 155.40 230.33 206.40 128.75 138.00 65.00 41.00 300.00 87.00 85.00 59.00 569.00 76.00 161.00 131.00 106.00 144.00
phenylpyruvate
1023.20 922.83 896.50 1727.20 595.00 711.83 1278.50 755.67 2017.83 1805.57 629.33 1092.83 352.00 338.00 423.00 432.67 360.00 335.50 460.00 446.00 599.75 524.50 383.50 436.50 450.80 379.00 372.00 449.33 258.83 310.33 474.00 266.20 322.40 431.50 493.40 355.50 385.50 171.00 77.00 192.00 272.00 246.00 171.00 767.00 373.00 419.00 321.00 690.00 745.00
phosphate
124731.40 106835.00 118893.00 1188509.20 117785.50 140360.67 123205.00 119604.33 99991.33 114132.71 168754.17 139452.50 123911.00 144812.00 129587.50 134297.33 139065.00 128461.00 158485.00 122670.00 130118.50 140102.00 117377.50 475019.00 127440.00 267377.80 243211.83 201785.50 230979.33 225650.33 201219.40 223235.00 229762.60 213866.67 245890.40 199075.25 184247.50 143620.00 139261.00 19671.00 205837.00 186317.00 193926.00 266584.00 309194.00 437696.00 420085.00 380482.00 452104.00
phosphoenolpyruvate
4765.20 3115.33 3135.83 6490.80 4004.83 4445.67 6459.83 4474.67 4131.17 4952.00 3124.00 6313.00 101.00 130.50 103.00 156.00 117.00 103.50 139.00 123.00 160.50 144.50 122.00 1906.33 3136.20 1463.20 982.50 750.17 474.83 503.00 1051.80 1264.80 1979.60 594.50 773.40 239.00 217.67 59.00 33.00 255.00 55.00 82.00 86.00 499.00 110.00 169.00 97.00 156.00 168.00
phosphoethanolamine
275.00 221.00 273.83 1273.20 452.17 269.67 754.00 279.17 279.00 297.43 390.00 287.50 134.50 96.00 131.00 149.67 109.50 93.50 100.00 109.00 122.00 132.00 119.50 500.50 1172.80 674.60 660.67 1076.17 559.50 785.83 828.20 878.20 996.40 442.67 1105.40 851.75 612.17 45.00 72.00 332.00 97.00 61.00 38.00 384.00 114.00 179.00 169.00 125.00 182.00
pipecolinic acid
2320.00 2497.00 3107.50 1734.80 1607.00 3920.67 3322.33 2669.83 2886.50 3396.29 1834.33 3292.67 2810.50 2741.00 2394.00 3401.67 3324.50 3237.50 3673.00 3400.50 3786.00 4360.00 4412.50 238.50 133.20 156.60 219.17 193.83 162.17 227.33 136.20 191.20 170.00 165.83 111.40 144.25 148.67 52.00 67.00 264.00 60.00 80.00 80.00 504.00 151.00 156.00 204.00 137.00 174.00
proline
258665.20 281515.00 284560.67 235515.00 240406.50 291566.67 343405.17 271336.33 374985.00 506085.57 356462.33 310750.33 313967.00 325014.00 261827.50 282893.00 340724.50 332656.50 351184.00 347782.00 328397.00 319149.50 369299.00 3465.33 6310.80 3289.40 1634.83 2533.67 6322.00 2956.83 2638.20 2764.60 4951.20 4511.83 3097.80 2749.50 2629.83 362.00 97.00 307.00 101.00 85.00 92.00 601.00 156.00 334.00 295.00 258.00 182.00
pseudo uridine
1380.20 1527.67 1780.33 1875.80 2907.17 2081.67 2548.00 2423.17 3300.83 2984.86 3241.50 2746.50 544.50 585.50 673.00 784.00 788.00 609.50 629.00 834.50 846.00 755.00 748.00 276.50 3143.00 267.20 187.83 419.67 187.83 172.00 234.60 283.80 330.00 241.00 379.80 246.00 277.33 34.00 53.00 211.00 78.00 62.00 86.00 430.00 107.00 113.00 179.00 220.00 229.00
putrescine
365957.00 401293.67 288377.00 501808.40 303322.17 244674.67 381813.33 363011.50 418495.50 446935.29 401856.00 330325.17 16507.00 17055.00 12586.00 9569.00 11463.00 8802.00 4193.00 24016.00 27417.75 20403.50 17245.00 136050.50 140812.20 179038.60 82509.83 120142.17 107451.33 89786.17 179271.80 70817.00 116564.00 148606.67 170486.40 211391.50 305289.67 3597.00 7769.00 10934.00 8470.00 10246.00 9540.00 3860.00 2248.00 7983.00 1252.00 1991.00 1489.00
pyridoxal-5-phosphate
141.60 113.17 225.67 991.20 200.33 149.17 203.67 100.50 165.33 291.43 191.00 157.67 131.50 121.50 129.00 181.33 614.00 109.00 74.00 140.00 143.00 109.00 693.00 279.00 138.40 167.20 175.33 151.17 166.17 165.00 187.00 173.80 135.20 152.33 201.40 130.75 254.33 72.00 52.00 267.00 82.00 66.00 51.00 476.00 100.00 138.00 191.00 236.00 159.00
pyrophosphate
23610.40 26109.83 8349.17 169680.60 35053.17 18608.00 24158.00 26206.67 10154.67 14015.86 30160.67 21135.50 2923.00 1558.50 1133.50 1293.00 1133.50 3512.50 2735.00 1367.00 1905.50 1284.00 3467.00 37515.67 49322.60 58803.80 37624.67 48602.83 67421.83 43825.17 31673.40 32987.00 56139.40 54265.17 43554.00 29324.50 36261.67 1117.00 917.00 604.00 2252.00 3914.00 990.00 1230.00 2494.00 3019.00 2677.00 4962.00 2004.00
pyruvic acid
720.00 660.67 699.67 8569.40 989.50 982.00 1236.00 809.50 655.50 768.57 572.83 861.00 449.50 680.50 479.00 347.00 365.00 204.50 597.00 355.00 370.75 369.50 589.50 2792.50 3727.40 1139.80 4645.50 1809.50 2012.50 2867.00 1623.60 886.00 2169.40 5737.33 2373.60 2657.75 2455.33 877.00 687.00 39152.00 252.00 3189.00 7408.00 684.00 119.00 720.00 13572.00 6250.00 50.00
raffinose
247.40 189.67 183.00 479.40 193.17 207.00 322.00 247.33 162.50 280.14 217.67 218.33 178.50 166.50 171.00 229.33 227.00 227.00 70.00 114.00 230.00 117.00 281.50 221.33 132.60 161.60 169.67 149.33 178.67 133.33 119.00 122.00 171.20 142.50 132.00 114.00 114.67 56.00 66.00 197.00 65.00 64.00 72.00 495.00 109.00 209.00 105.00 143.00 163.00
ribitol
727.80 1091.83 648.67 694.00 866.17 731.50 711.17 940.00 769.17 1087.43 828.67 546.83 1129.50 959.50 1140.50 3008.33 3612.50 1317.00 6058.00 1381.50 2343.25 1429.00 3751.00 274.67 178.40 152.60 169.17 139.67 178.00 144.83 144.60 172.60 141.60 142.17 270.00 130.25 232.50 75.00 90.00 314.00 89.00 108.00 78.00 1003.00 223.00 263.00 235.00 166.00 332.00
ribonic acid
564.20 714.67 573.50 716.40 713.50 441.33 518.50 554.00 847.83 789.43 513.17 481.33 427.00 422.00 398.00 598.67 441.50 306.50 501.00 453.00 623.25 645.50 493.00 280.00 153.20 156.40 153.00 120.67 165.00 170.83 98.60 163.60 151.60 159.50 137.40 144.50 143.17 41.00 74.00 218.00 62.00 106.00 57.00 458.00 122.00 193.00 220.00 182.00 114.00
ribose
2164.00 3742.67 1906.00 1403.00 14506.83 2351.00 3372.83 8943.17 2352.67 2081.86 14429.83 2858.17 1200.00 1115.00 1322.00 997.33 1179.00 936.50 1196.00 1356.50 846.25 613.00 456.50 352.00 332.80 393.00 296.67 375.67 260.83 301.17 172.20 224.60 321.40 297.67 382.00 355.00 304.17 88.00 55.00 311.00 168.00 81.00 136.00 134.00 140.00 244.00 220.00 185.00 229.00
ribose-5-phosphate
212.00 144.83 376.83 820.60 397.00 334.67 301.00 231.33 225.17 396.00 274.17 294.67 111.50 118.00 88.00 182.00 91.50 271.50 195.00 136.00 213.75 142.50 130.00 256.67 125.80 211.00 246.33 196.67 187.00 181.17 94.80 192.80 294.80 141.17 195.00 150.00 190.17 45.00 57.00 197.00 84.00 43.00 113.00 578.00 78.00 130.00 153.00 150.00 156.00
saccharopine
541.80 736.17 884.83 722.00 669.50 465.83 598.17 599.17 1105.67 771.43 578.17 552.50 705.50 667.50 938.50 810.00 675.50 673.00 329.00 740.50 863.50 675.50 738.50 260.17 135.40 241.80 162.17 144.50 138.83 165.83 97.80 162.60 214.80 154.50 169.60 109.50 155.00 63.00 37.00 295.00 103.00 93.00 78.00 638.00 87.00 115.00 223.00 125.00 179.00
serine
5244.60 9504.67 2994.17 5563.80 4675.33 6998.17 4141.17 10867.50 3156.17 4348.14 3097.50 5269.50 910.00 1062.00 1374.50 894.67 912.50 663.00 2100.00 1317.50 1758.50 1031.00 1066.00 1468.83 3045.60 4470.00 6459.50 3823.00 4235.67 6930.83 2329.00 3705.20 5141.00 2974.67 5346.00 5939.50 2555.33 95.00 136.00 360.00 133.00 129.00 123.00 1276.00 371.00 356.00 341.00 41617.00 423.00
shikimic acid
494.20 807.33 651.17 1154.40 756.17 678.33 711.00 686.83 932.83 997.71 799.00 690.67 1027.50 1023.50 1341.00 1197.67 1164.50 1164.50 656.00 478.00 1137.00 1193.00 784.00 391.67 414.20 416.40 228.83 528.83 262.83 283.00 219.00 214.40 439.60 243.33 330.80 158.75 295.67 97.00 97.00 283.00 105.00 118.00 128.00 749.00 166.00 391.00 185.00 378.00 144.00
sorbitol
1483.00 732.33 2315.17 956.60 811.17 640.83 695.50 990.67 451.67 1921.43 670.33 6783.00 623.00 787.00 806.00 472.33 784.50 1207.00 264.00 722.50 337.25 698.50 697.00 316.00 271.80 452.20 280.00 356.50 366.83 343.17 197.00 360.20 276.80 325.83 279.40 401.25 281.00 12914.00 200.00 520.00 173.00 223.00 54195.00 823.00 200.00 145.00 156.00 249.00 186.00
spermidine
9755.20 10698.83 10905.33 5913.20 8734.33 6228.50 8222.00 6060.00 12528.33 10633.57 6181.17 5506.67 6121.50 5755.00 1756.00 4690.00 6993.50 6804.50 9471.00 5947.00 3825.50 6560.00 6989.50 528.33 284.80 673.00 251.83 380.67 413.33 282.33 257.20 204.80 354.40 300.17 388.40 417.75 555.00 69.00 164.00 388.00 154.00 169.00 129.00 448.00 130.00 176.00 188.00 110.00 221.00
spermine
5294.60 15188.50 4927.50 3812.20 1367.17 814.00 1125.17 3884.33 1278.00 3316.43 853.00 1128.50 16904.50 15102.00 1392.50 11401.33 10775.50 11123.00 8388.00 11259.50 3292.00 3403.50 2984.50 350.83 781.60 886.80 1157.33 817.50 629.33 1180.00 754.80 649.20 817.80 686.67 1597.20 754.00 621.50 36.00 49.00 267.00 71.00 64.00 105.00 4285.00 184.00 103.00 164.00 155.00 164.00
stearic acid
82738.40 53424.67 80054.50 169178.00 88686.17 87826.67 69410.33 75431.00 57060.83 95595.29 72099.83 90148.17 12024.00 18139.00 27258.00 34466.67 23587.00 12792.50 27666.00 21726.00 22986.50 20121.00 18472.00 68072.50 67705.20 98834.00 111869.83 91277.83 83286.67 82784.67 60348.60 109857.80 156455.80 91939.17 108058.40 98116.75 125343.50 24452.00 22332.00 18201.00 6455.00 6434.00 6642.00 55063.00 16497.00 17407.00 31210.00 18230.00 22525.00
succinic acid
87538.20 64722.17 62896.67 65814.00 82022.17 83968.33 41831.00 53081.33 36969.00 43224.00 93602.33 45750.83 15123.00 13949.50 14679.00 18307.00 20720.50 28413.50 354.00 2809.50 14515.00 7069.50 16665.50 6138.50 12557.80 7235.40 1983.50 9239.00 3754.67 3191.17 4009.20 5196.40 7209.60 1400.50 3543.40 3870.00 4706.67 131.00 540.00 302.00 838.00 699.00 620.00 592.00 240.00 231.00 327.00 553.00 176.00
sucrose
796.80 907.17 147.83 932.20 818.17 597.17 674.00 727.67 163.33 886.14 651.00 695.67 748.00 780.50 132.00 742.00 805.00 766.50 646.00 884.50 831.50 934.00 948.50 275.00 152.20 155.60 134.17 259.83 129.50 117.83 95.40 141.60 84.40 155.00 721.00 64.25 107.83 73.00 42.00 300.00 73.00 70.00 57.00 550.00 158.00 90.00 179.00 105.00 209.00
sulfuric acid
140.00 170.17 229.33 1849.80 155.67 131.17 235.17 127.50 77.67 194.00 159.33 131.50 257.00 911.00 2111.00 377.33 168.50 881.50 154.00 2101.50 1564.50 622.50 885.00 369.83 1669.20 850.80 196.50 423.67 244.67 343.33 1330.00 435.60 289.20 231.17 1684.40 2002.00 2380.50 62.00 60.00 215.00 103.00 68.00 50.00 592.00 104.00 251.00 107.00 152.00 134.00
tagatose
642.40 689.83 582.33 1198.20 816.67 625.67 721.17 656.67 919.17 1009.29 830.83 550.33 568.00 555.00 522.00 601.67 662.00 553.00 764.00 670.00 585.75 712.00 632.00 468.50 324.40 378.80 369.33 353.67 372.33 366.33 242.20 231.20 328.40 275.83 338.40 337.75 521.33 126.00 2920.00 300.00 233.00 142.00 135.00 906.00 254.00 296.00 310.00 348.00 304.00
tetracosane
1251.60 1137.50 930.00 2173.80 1304.00 825.33 652.33 1341.50 1189.00 999.14 952.50 913.33 982.50 1055.50 996.50 1239.00 965.50 996.50 1182.00 1080.50 838.50 818.00 1151.50 388.17 510.00 463.60 646.83 1144.00 392.00 505.83 335.60 670.20 942.20 362.67 3379.80 582.00 527.00 302.00 289.00 761.00 265.00 357.00 272.00 1378.00 599.00 906.00 415.00 710.00 600.00
threitol
231.00 221.00 1062.67 445.80 290.00 230.17 237.00 313.67 156.67 515.57 627.00 190.00 437.00 210.00 608.00 332.67 212.00 566.00 282.00 195.00 346.50 279.00 211.50 225.17 252.80 229.20 303.50 279.83 213.17 311.33 172.40 242.60 287.80 190.33 285.00 303.75 246.33 59.00 41.00 208.00 56.00 49.00 98.00 592.00 157.00 115.00 140.00 186.00 133.00
threonic acid
253.00 260.00 252.83 547.40 309.17 274.33 277.33 303.33 381.83 387.57 274.33 309.00 210.00 182.00 221.50 240.00 228.50 135.00 177.00 219.50 226.00 282.50 209.50 245.00 125.20 161.60 188.67 147.50 181.33 157.00 94.00 154.60 197.40 178.00 171.00 146.25 135.83 62.00 52.00 211.00 47.00 51.00 98.00 587.00 120.00 214.00 105.00 123.00 171.00
threonine
37823.20 74893.17 121272.00 44795.80 41146.83 29324.33 29967.83 34232.33 28343.33 31248.71 25066.83 24034.83 101914.00 120473.00 139654.50 106503.00 148001.50 123624.50 28264.00 25236.50 20223.25 25774.50 32139.50 2831.17 2818.80 3419.40 2756.33 3397.00 2096.83 2720.67 5378.80 4684.60 2944.20 2880.33 7032.20 4779.00 3738.17 342.00 1582.00 484.00 293.00 1311.00 1640.00 920.00 310.00 1682.00 1881.00 869.00 577.00
thymidine-5-phosphate
427.80 1452.33 676.33 2092.80 1015.17 1166.00 1543.00 486.33 2394.50 1501.14 1192.67 618.00 1262.50 2506.00 1657.50 3332.00 2788.00 1219.00 129.00 3155.00 1613.25 3256.00 2967.50 733.83 1460.60 791.00 873.17 1133.17 1079.83 1607.50 711.40 686.60 1606.60 876.17 1105.20 853.25 883.33 75.00 61.00 190.00 59.00 45.00 56.00 499.00 92.00 289.00 163.00 166.00 201.00
thymine
2545.40 1903.33 4086.83 7017.40 3412.83 5692.67 4743.33 2605.67 2831.83 3485.57 4054.83 3005.17 248.00 255.50 289.00 296.67 280.00 285.00 368.00 221.50 288.25 314.50 268.50 2470.17 5559.20 2940.20 4138.33 4604.67 5138.67 7159.67 3115.00 3426.00 6369.20 3782.33 4298.20 4028.50 3605.67 67.00 45.00 215.00 68.00 93.00 58.00 518.00 115.00 213.00 310.00 268.00 191.00
trehalose
87740.60 195529.83 76062.50 15846.00 29401.17 26218.17 5613.83 47720.33 1503.67 28060.57 3864.67 2000.33 510836.00 484710.00 434548.50 348684.67 359008.50 364462.00 97506.00 274289.00 94418.00 67261.50 61109.00 454.67 653.80 650.20 553.33 759.17 430.67 661.67 377.40 411.20 501.20 552.00 1113.00 623.00 740.83 986.00 317.00 777.00 310.00 435.00 284.00 1031.00 202.00 616.00 303.00 480.00 327.00
trehalose-6-phosphate
137.80 122.17 128.33 459.00 148.00 141.00 135.50 130.83 97.17 270.43 162.17 144.00 398.00 310.00 318.00 418.33 270.00 493.00 96.00 189.00 174.25 291.00 340.00 221.33 141.60 187.00 186.00 144.33 186.50 172.83 98.60 164.00 173.80 174.17 168.60 131.25 139.33 85.00 53.00 169.00 83.00 64.00 37.00 314.00 145.00 143.00 171.00 139.00 148.00
tryptophan
286203.40 361185.17 236658.50 150724.60 302482.17 228797.33 219151.00 258003.50 174424.50 210949.43 205178.33 196152.33 484402.50 489976.00 365824.00 430527.33 466695.50 467153.00 377560.00 452212.50 366552.00 438929.00 444760.00 836.67 877.80 433.20 356.17 513.67 589.17 342.67 259.00 302.80 703.80 468.00 609.00 269.00 363.50 622.00 187.00 571.00 77.00 158.00 42.00 407.00 138.00 221.00 163.00 196.00 216.00
tyrosine
257673.20 320086.50 295531.00 188235.00 362359.17 265367.50 309170.33 263545.33 392941.83 383312.14 314461.17 285348.00 315668.50 312480.00 311308.50 333546.00 316913.00 317970.00 303143.00 362376.50 341562.50 343363.50 322009.50 3329.00 1622.20 3910.00 3283.33 2755.17 3825.50 3076.83 2565.80 4077.60 5042.60 2199.17 3327.60 2181.00 1953.50 1159.00 1850.00 758.00 2248.00 2276.00 2149.00 1331.00 255.00 665.00 282.00 514.00 372.00
UDP-glucuronic acid
591.60 623.67 478.33 1875.00 516.33 344.67 574.50 495.67 716.83 730.71 619.50 503.50 102.00 113.00 217.50 165.67 219.00 173.50 113.00 114.50 220.25 115.50 100.00 587.33 626.80 721.20 570.83 724.00 626.00 579.83 518.40 495.00 759.00 599.83 920.40 707.25 721.00 69.00 54.00 218.00 56.00 78.00 35.00 518.00 114.00 233.00 147.00 238.00 68.00
UDP-N-acetylglucosamine
284.20 190.33 218.67 413.40 205.17 186.50 117.33 235.83 197.33 275.57 282.67 126.33 99.50 88.50 136.50 164.33 121.50 160.00 144.00 85.50 155.25 110.00 132.00 222.17 140.60 224.00 218.67 277.50 209.67 256.50 88.20 106.00 210.40 184.83 176.20 74.25 95.00 74.00 48.00 271.00 59.00 76.00 49.00 374.00 159.00 186.00 219.00 130.00 148.00
uracil
37416.80 28364.67 30203.83 24920.60 28133.00 26606.17 30174.33 29517.00 24539.33 30032.43 27530.50 18238.67 10258.00 10732.50 6229.00 5451.33 7524.00 8810.00 3489.00 4685.00 1869.75 194.50 482.00 2857.83 1681.00 5386.80 7528.00 6609.67 10004.00 8768.17 1794.00 2682.80 12941.00 3012.83 6026.00 3246.00 3415.67 51.00 69.00 215.00 65.00 49.00 56.00 684.00 153.00 206.00 164.00 132.00 232.00
urea
7497.80 6192.50 5531.83 4394.80 7825.33 5648.50 8994.33 9243.00 12095.83 11626.43 8592.50 8361.50 2692.00 3734.50 3380.50 4162.00 2964.50 2755.00 8756.00 6670.00 7038.75 7456.50 7044.00 891.33 2987.80 2396.00 2135.17 2879.00 1637.83 2013.67 1349.40 1644.60 1911.60 3564.17 1454.20 3597.25 3262.00 117.00 26579.00 241.00 84.00 66.00 64.00 435.00 108.00 223.00 118.00 146.00 182.00
uridine
327.20 316.17 273.50 570.20 371.83 300.33 370.33 515.00 193.83 386.86 314.00 374.33 92.00 135.50 129.50 127.33 96.00 103.00 107.00 145.50 263.25 137.00 122.00 264.33 154.40 125.00 135.17 131.83 202.83 171.83 132.00 157.20 175.80 153.50 199.20 128.50 137.00 54.00 47.00 300.00 87.00 83.00 79.00 356.00 132.00 184.00 160.00 200.00 221.00
uridine-5^-monophosphate
6095.80 4480.50 3878.00 5041.80 5297.50 4540.83 5111.50 5599.50 3047.33 3204.57 3799.67 4216.83 204.00 234.50 154.00 252.00 263.00 205.00 349.00 135.50 248.25 222.50 270.50 1701.17 1239.20 1777.00 2464.00 4009.50 2416.67 3155.67 1049.00 2168.00 4254.80 1352.33 2781.20 2223.75 2071.17 56.00 51.00 222.00 79.00 76.00 79.00 462.00 71.00 146.00 153.00 146.00 121.00
valine
1047670.20 963684.17 1019492.33 687315.40 1337777.67 1136485.50 1048444.17 1067065.83 962046.50 1107936.43 1126347.50 1157888.00 1179959.00 1143091.50 1125071.50 1117736.00 1222954.00 1143686.50 1286463.00 1169068.50 1243769.75 1208117.50 1292509.00 10535.33 14291.60 17743.40 10667.83 14244.50 6935.83 11021.17 10792.00 11039.20 13977.60 6612.00 11015.40 14865.75 9431.67 3025.00 467.00 534.00 210.00 896.00 259.00 888.00 503.00 926.00 767.00 389.00 1003.00
xanthine
3105.20 2940.67 3354.83 5806.60 8221.33 5283.50 5387.17 4287.00 3331.00 6799.29 5858.33 5167.33 1262.00 1272.00 853.50 1095.67 1446.00 1170.50 171.00 407.50 675.75 663.00 794.50 733.17 824.20 810.20 489.17 941.33 1127.83 769.50 344.40 522.00 1571.20 328.17 654.80 243.75 228.00 53.00 58.00 194.00 99.00 51.00 56.00 564.00 142.00 156.00 225.00 147.00 267.00
xanthosine
147.20 138.17 156.50 503.00 172.00 166.17 155.00 157.50 142.00 253.43 190.33 211.17 126.50 139.50 190.00 204.00 150.50 157.00 205.00 119.50 146.25 187.50 181.00 246.50 128.80 168.20 180.67 152.67 203.83 201.17 106.60 129.00 198.60 193.17 173.40 139.00 122.67 50.00 44.00 222.00 55.00 84.00 86.00 435.00 111.00 145.00 179.00 169.00 184.00
xylitol
372.20 336.00 294.33 465.00 322.67 313.83 333.50 333.83 355.83 403.57 314.67 314.83 373.50 342.50 334.00 344.33 339.00 315.00 400.00 352.00 389.25 380.00 274.00 238.83 202.60 289.20 189.33 163.00 189.50 162.33 199.00 180.00 186.40 134.00 248.60 151.25 133.33 63.00 57.00 185.00 59.00 65.00 74.00 416.00 109.00 166.00 144.00 137.00 171.00
xylose
290.60 272.67 256.67 621.20 376.00 217.33 342.67 341.83 236.50 384.43 312.83 200.17 137.00 132.50 143.00 218.00 127.50 197.50 254.00 259.50 160.75 258.50 158.00 220.33 163.60 155.80 170.00 152.67 160.50 128.17 104.40 162.00 158.20 162.50 185.40 97.75 147.83 92.00 67.00 248.00 62.00 123.00 79.00 564.00 41.00 196.00 222.00 72.00 32.00

Factors:

F1Treatment:LB OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain VDC6664)
F2Treatment:LB OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain​ VDC6665)
F3Treatment:LB OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6594)
F4Treatment:LB OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6595)
F5Treatment:LB OD 1.0 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone1)
F6Treatment:LB OD 1.0 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone 2)
F7Treatment:LB OD 2.0 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain VDC6664)
F8Treatment:LB OD 2.0 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain​ VDC6665)
F9Treatment:LB OD 2.0 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6594)
F10Treatment:LB OD 2.0 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6595)
F11Treatment:LB OD 2.0 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone1)
F12Treatment:LB OD 2.0 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone 2)
F13Treatment:LB Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta glyA (strain VDC6664)
F14Treatment:LB Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta glyA (strain​ VDC6665)
F15Treatment:LB Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta yggS (strain VDC6594)
F16Treatment:LB Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta yggS (strain VDC6595)
F17Treatment:LB Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli WT BW25113 (clone1)
F18Treatment:LB Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli WT BW25113 (clone 2)
F19Treatment:LB Supernatant (SN) OD 2.0 | SampleType:extracellular supernatant | Strain:E.coli Delta glyA (strain VDC6664)
F20Treatment:LB Supernatant (SN) OD 2.0 | SampleType:extracellular supernatant | Strain:E.coli Delta glyA (strain​ VDC6665)
F21Treatment:LB Supernatant (SN) OD 2.0 | SampleType:extracellular supernatant | Strain:E.coli Delta yggS (strain VDC6595)
F22Treatment:LB Supernatant (SN) OD 2.0 | SampleType:extracellular supernatant | Strain:E.coli WT BW25113 (clone1)
F23Treatment:LB Supernatant (SN) OD 2.0 | SampleType:extracellular supernatant | Strain:E.coli WT BW25113 (clone 2)
F24Treatment:MG OD 0.5 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain VDC6664)
F25Treatment:MG OD 0.5 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain​ VDC6665)
F26Treatment:MG OD 0.5 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6594)
F27Treatment:MG OD 0.5 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6595)
F28Treatment:MG OD 0.5 | SampleType:Cell Pellets | Strain:E.coli double mutant Delta yggS Delta glyA VDC strain​ (strain VDC6658)
F29Treatment:MG OD 0.5 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone1)
F30Treatment:MG OD 0.5 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone 2)
F31Treatment:MG OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain VDC6664)
F32Treatment:MG OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta glyA (strain​ VDC6665)
F33Treatment:MG OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6594)
F34Treatment:MG OD 1.0 | SampleType:Cell Pellets | Strain:E.coli Delta yggS (strain VDC6595)
F35Treatment:MG OD 1.0 | SampleType:Cell Pellets | Strain:E.coli double mutant Delta yggS Delta glyA VDC strain​ (strain VDC6658)
F36Treatment:MG OD 1.0 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone1)
F37Treatment:MG OD 1.0 | SampleType:Cell Pellets | Strain:E.coli WT BW25113 (clone 2)
F38Treatment:MG Supernatant (SN) OD 0.5 | SampleType:extracellular supernatant | Strain:E.coli Delta glyA (strain​ VDC6665)
F39Treatment:MG Supernatant (SN) OD 0.5 | SampleType:extracellular supernatant | Strain:E.coli Delta yggS (strain VDC6594)
F40Treatment:MG Supernatant (SN) OD 0.5 | SampleType:extracellular supernatant | Strain:E.coli Delta yggS (strain VDC6595)
F41Treatment:MG Supernatant (SN) OD 0.5 | SampleType:extracellular supernatant | Strain:E.coli double mutant Delta yggS Delta glyA VDC strain​ (strain VDC6658)
F42Treatment:MG Supernatant (SN) OD 0.5 | SampleType:extracellular supernatant | Strain:E.coli WT BW25113 (clone1)
F43Treatment:MG Supernatant (SN) OD 0.5 | SampleType:extracellular supernatant | Strain:E.coli WT BW25113 (clone 2)
F44Treatment:MG Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta glyA (strain VDC6664)
F45Treatment:MG Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta glyA (strain​ VDC6665)
F46Treatment:MG Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta yggS (strain VDC6594)
F47Treatment:MG Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli Delta yggS (strain VDC6595)
F48Treatment:MG Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli double mutant Delta yggS Delta glyA VDC strain​ (strain VDC6658)
F49Treatment:MG Supernatant (SN) OD 1.0 | SampleType:extracellular supernatant | Strain:E.coli WT BW25113 (clone1)
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