Metabolite_name RefMet_name 061215byusa1088_1 061215byusa1091_1 061215byusa1092_1 061215byusa1096_1 061215byusa1119_1 061215byusa1127_1 061215byusa1065_1 061215byusa1079_1 061215byusa1086_1 061215byusa1090_1 061215byusa1103_1 061215byusa1134_1 061215byusa1075_1 061215byusa1077_1 061215byusa1087_1 061215byusa1112_1 061215byusa1114_1 061215byusa1124_1 061215byusa1074_1 061215byusa1105_1 061215byusa1116_1 061215byusa1123_1 061215byusa1128_1 061215byusa1129_1 061215byusa1076_1 061215byusa1078_1 061215byusa1080_1 061215byusa1085_1 061215byusa1093_1 061215byusa1100_1 061215byusa1068_1 061215byusa1084_1 061215byusa1106_1 061215byusa1109_1 061215byusa1125_1 061215byusa1133_1 061215byusa1066_1 061215byusa1072_1 061215byusa1081_1 061215byusa1083_1 061215byusa1089_1 061215byusa1107_1 061215byusa1094_1 061215byusa1095_1 061215byusa1099_1 061215byusa1113_1 061215byusa1115_1 061215byusa1098_1 061215byusa1101_1 061215byusa1110_1 061215byusa1111_1 061215byusa1122_1 061215byusa1136_1 061215byusa1067_1 061215byusa1097_1 061215byusa1104_1 061215byusa1120_1 061215byusa1130_1 061215byusa1071_1 061215byusa1082_1 061215byusa1102_1 061215byusa1131_1 061215byusa1135_1 061215byusa1069_1 061215byusa1070_1 061215byusa1118_1 061215byusa1121_1 061215byusa1132_1 Factors - Organ:cytosol | Time:0 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 2.4 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitic acid 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:cytosol | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:0 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 2.4 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitic acid 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitoyl carnitine 9.6 uM Organ:mitochondria | Time:20 min | Dose:palmitoyl carnitine 9.6 uM 1-hexadecanol Cetyl alcohol 837.2549 1411.2299 1555.9715 1407.4866 753.0303 445.4545 510.2694 954.5455 883.4225 1486.0963 863.8047 988.2353 1085.3051 698.7522 1549.7326 899.1582 808.4175 932.3835 491.6221 717.6768 652.5847 648.8414 722.4599 907.4074 673.7968 698.7522 719.9643 670.0535 868.5185 826.0943 525.3119 887.7127 890.9091 833.1650 734.5093 750.6734 988.1667 1105.7529 1321.7647 1788.5194 552.3412 1165.8706 914.8794 1516.8222 2158.2647 2627.4088 509.6000 1295.3918 2241.5556 1382.6029 1812.7083 699.3000 1687.6588 1023.5441 1649.5706 1569.8529 691.8333 832.0278 459.2824 1289.1667 1572.1222 1834.3500 528.8706 1375.5522 599.6083 697.0147 1267.4667 1300.2740 1-monoolein MG 18:1(9Z)/0:0/0:0 2157.3975 1479.8574 2119.9643 2545.4545 908.5859 520.8754 1408.2492 2634.0463 2683.9572 1476.1141 1141.9192 3210.5169 1099.8340 1568.4492 3184.3137 2223.7374 1223.2323 1358.2090 1442.4242 2658.5859 1406.2389 638.8592 2032.6203 1656.9024 2154.9020 4419.6078 2161.1408 3788.2353 2233.1650 2565.4882 4755.2585 2121.2121 2929.7683 5501.0101 459.0683 843.7710 1307.8333 6708.5529 1815.8824 2282.9722 1041.3118 1863.8941 1057.3294 978.9111 1413.1765 2396.6147 638.0889 1207.6306 4403.9722 309.1324 1457.6528 748.2176 585.9000 653.0588 2379.6088 634.2206 285.8333 928.2778 529.9412 1461.8333 2605.1667 826.3500 361.8588 459.0224 428.9250 546.3088 518.3111 717.7397 1-monostearin MG 18:0/0:0/0:0 4863.8146 5570.0535 7746.1676 4543.1373 3413.9731 2036.3636 3154.7138 5003.5651 6785.3832 8129.2335 4967.1717 5964.3494 4288.9166 5008.5562 9302.1390 4969.5286 4697.3064 6172.0941 5520.1426 8141.9192 3816.9340 2068.8057 1644.5633 2127.1044 6951.3369 5955.6150 3911.7647 6727.9857 4190.5724 2850.6734 4604.2781 6587.3807 6246.3458 4916.4983 1454.7716 4587.7104 666.1667 859.7647 508.9412 759.4611 460.8059 663.7647 486.0059 648.9778 572.9706 777.4118 212.3333 472.6306 1652.2917 502.7647 669.4722 194.5588 193.4471 133.1235 1712.7353 413.1853 217 425.6389 237.6706 1064 1237.1722 435.7500 211.9765 209.0597 178.4417 185.8706 272.2222 415.6849 2-hydroxyvaleric acid 2-Hydroxyvaleric acid 2591.6221 948.3066 2586.6310 2405.7041 1476.5993 4129.2929 1318.6869 3325.3119 11140.1069 1982.7094 2837.7104 2389.4831 2975.5085 11229.9465 3284.1355 2539.5623 1955.0505 2800.3166 1627.0945 1626.2626 2056.3280 2916.0428 1598.3957 4195.2862 3004.6346 3124.4207 4571.8360 2932.2638 3193.6027 4129.2929 1820.4991 4265.6704 2249.7326 3016.8350 2421.9810 2420.5387 1530.6667 1729.0824 2411.2941 2881.8222 2190.5882 1944.1882 1313.2824 2369.4222 2741.4265 2746.4500 1063.8444 3971.1940 2515.3333 1554.7206 1864.0417 2828.3294 2195.7353 2278.1706 3923.5000 3423.5353 2413.8333 2190.2222 1457.0706 2119.8333 4177.2889 2448.6000 2432.3765 2152.7090 1799.9333 2168.9088 2218.0667 1999.3151 2-ketoisocaproic acid Ketoleucine 512.8342 507.8431 607.6649 615.1515 453.7037 195.6229 307.5758 592.6916 472.9055 459.1800 395.9596 501.6043 617.4761 606.4171 632.6203 467.8451 465.4882 679.1045 464.1711 568.0135 499.1087 542.7807 510.3387 555.0505 537.7897 1003.2086 625.1337 773.6185 816.6667 652.8620 360.6061 1253.8398 1056.8627 969.8653 443.2384 1061.7845 324.3333 408.3882 942.5294 570.1694 558.6000 572.7647 370.2176 638.0889 991.9412 1013.0647 363.6889 929.7201 779.6250 582.0294 751.8194 756 1354.1294 540.0294 1169.7618 645.5235 623 805.2917 517.0941 1062.8333 1440.1722 1149.7500 904.6471 1102.8657 550.8417 842.6971 889.6222 936.3699 2-monopalmitin MG 0:0/16:0/0:0 868.4492 656.3280 526.5597 967.0232 1161.9529 273.4007 1596.8013 965.7754 1088.0570 565.2406 1038.2155 2182.3529 475.0934 593.9394 893.4046 824.9158 761.2795 672.7725 749.9109 862.6263 900.8913 501.6043 1773.0838 615.1515 888.4135 1421.2121 2254.7237 1013.1907 4969.5286 1219.6970 1644.5633 908.0531 902.1390 4565.3199 332.4288 536.1953 308 5108.4353 402.7059 281.0694 186.9824 360.7882 201.8676 290.7333 281.9559 385.0618 154.6222 247.7425 1736.7778 318.1912 264.1528 319.0765 177.8824 207.2206 334.0441 197.1735 115.5000 202.1250 183.0706 396.6667 272.9222 252 111.3412 266.6269 178.4417 162.0088 151.3556 342.3288 3-hydroxybutanoic acid 3-Hydroxybutyric acid 515.3298 591.4439 577.7184 739.9287 466.6667 201.5152 282.8283 862.2103 875.9358 1209.0909 399.4949 591.4439 541.9261 763.6364 643.8503 1836.0269 708.2492 2211.4428 461.6756 722.3906 432.9768 520.3209 487.8788 527.9461 869.6970 1006.9519 716.2210 1509.8039 1833.6700 577.4411 898.3957 2554.1719 1613.3690 1405.8923 1131.8408 1615.6566 268.3333 545.7118 899.2941 1711.6556 352.8412 373.6353 297.0882 400.7111 1742.6912 894.0235 192.7333 2510.3358 5715.1111 3416.3088 2809.4306 1958.9294 3489.8294 341.6000 1331.3176 1676.6029 292.8333 353.9861 313.6824 849.3333 1971.3556 4423.6500 507.4588 816.5448 294.8167 609.1029 579.2889 536.5068 3-hydroxypyridine 3-Hydroxypyridine 4514.4385 4077.7184 5518.8948 5118.3601 6383.6700 1646.2963 4487.5421 4419.6078 6031.7291 4303.5651 3809.9327 5734.7594 7770.0291 3133.1551 4375.9358 5546.9697 5681.3131 5706.6938 2847.4153 19681.3131 7495.3654 5888.2353 6970.0535 6975.2525 3440.1070 3754.5455 3501.2478 8409.9822 4291.9192 4205.8923 2250.9804 4902.0340 4640.4635 4680.8081 3533.2429 5099.1582 2423.1667 2874.2412 3599.6471 2204.9611 2552.0353 4004 2572.4794 4886.9333 6882.4412 5604.6529 7512.2444 4570.8955 3887.4306 4057.2206 4451.0278 3820.0235 1798.8353 5767.0118 10894.6971 10636.0677 7130.6667 10621.7222 4896.8706 7996.3333 13493.8611 10634.4000 12472.3529 5031.0672 4718.1750 9650.2000 9920.8667 12234.6575 adenine Adenine 371.8360 1089.3048 1066.8449 535.2941 463.1313 189.7306 161.4478 637.6114 516.5775 1009.4474 601.0101 826.0250 1153.5907 476.6488 1202.8520 1186.7003 929.7980 452.7363 515.3298 415.9933 545.2763 501.6043 379.3226 448.9899 618.8948 643.8503 388.0570 843.4938 841.4141 743.6027 525.3119 1438.3562 491.6221 575.0842 384.6676 890.9091 1043 1791.1765 1229.1176 1454.6778 871.5412 1144.4588 1010.1000 1336.0667 2211.4853 1065.2971 360.4222 1590.6716 1375.3056 1265.9706 1469.4167 1500.8824 1967.8235 372.9971 739.7559 768.6000 124.8333 764.6528 759.0471 690.6667 1326.2667 920.8500 977.4471 281.7761 438.9000 403.1382 838.4444 1107.5342 adenosine-5-monophosphate AMP 224.5989 370.5882 559.0018 214.6168 129.6296 119.0236 404.2088 94.8307 119.7861 882.1747 168.5185 177.1836 4114.5704 195.9002 991.9786 128.4512 136.7003 128.2225 263.2799 252.1886 145.9893 158.4670 210.8734 142.5926 258.2888 136.0071 126.0250 348.1283 126.0943 159.0909 393.0481 113.3250 106.0606 148.4848 178.8783 93.0976 15571.5000 5362.7824 4922.6471 7142.6056 865.2824 7026.2706 1607.3235 7774.6667 6140.7500 8778.6794 4971.8667 4874.4030 2942.0417 8864.0588 6210.2639 5156.3647 11461.1823 4398.1000 8272.1471 7029.1735 637 6016.6944 14287 18727.3333 32368.3500 9907.8000 9083.9412 5184.0746 11050.0833 4694.4882 7904.2444 6256.8493 adipic acid Adipic acid 1441.1765 1496.0784 1776.8271 2347.0588 3330.3030 1495.4545 1787.7104 2127.4510 1846.7023 1446.1676 1183.1650 2111.2299 1872.7688 1240.2852 2199.8217 1602.6936 1414.1414 1826.7752 1029.4118 3470.5387 11896.2567 1720.6774 2569.1622 3392.7609 2048.8414 1910.3387 1418.7166 1991.4439 1484.8485 1480.1347 1014.4385 1903.2794 2444.3850 1744.1077 1803.0303 1852.5253 1445.5000 1443.6882 1652.8235 1298.6556 1157.8824 1802.8706 1162.4529 2763.6000 2356.4265 1647.1412 27093.7333 1932.5746 1825.5417 1844.6029 2709.9722 2087.8941 1664.3118 974.5647 2399.0441 1520.8735 1655.5000 2222.3056 688.3882 1583.1667 1630.7667 1825.9500 1038.4706 1033.1791 532 3483.8176 2156 1730.3425 aspartic acid Aspartic acid 611.4082 1397.5045 1261.4973 2092.5134 804.8822 425.4209 485.5219 521.5686 326.9162 1976.4706 1486.0269 1830.4813 1726.0274 413.0125 1799.2870 1084.1751 868.5185 707.5984 1861.6756 601.0101 2131.1943 1134.2246 515.3298 497.3064 394.2959 530.3030 626.3815 304.4563 419.5286 2263.8047 957.0410 2732.8767 200.8913 562.1212 196.2913 939.2256 27893.8333 92520.2353 35423.2941 56738.1694 35363.1353 27037.7059 40784.1206 52283 69903.5441 12207.7941 18290.0667 7404.8507 33253.3056 1583.0294 8584.4306 6586.0941 89500.3941 3664.6647 2759.8118 4970.7824 53.6667 3057.5417 1262.2235 2464 5148.3056 10316.2500 1496.6824 1486.1418 2757.5333 6857.1176 9063.9111 4227.3288 benzoic acid Benzoic acid 12652.4064 8118.0036 8765.5971 19768.4492 14536.1953 6486.1953 9540.7407 21252.0499 12420.3209 8159.1800 11665.4882 8130.4813 6096.3055 11656.6845 9750.0891 13059.5960 14612.7946 19049.7512 14711.2300 11212.9630 13693.0481 11198.7522 9768.8057 11463.9731 17319.0731 15663.2799 15988.9483 20136.5419 16946.1279 11750.3367 9597.8610 19147.5716 10623.5294 10660.2694 16330.1673 12149.8317 6827.3333 9204.2588 6701.4706 8194.6083 4276.3412 5071.3765 5275.2206 6811 11825.1618 12228.4441 3403.8667 6836.2313 23522.4306 5282.4265 6963.1528 8502.7765 6139.1647 7963.5500 7554.2559 7613.1588 4308.5000 4863.8333 4062.8824 8204 11299.2056 10380.3000 4950.4000 8751.7239 5032.9417 6857.1176 7626.5778 5623.9726 capric acid Capric acid 6281.2834 6347.4153 8607.1301 6886.4528 3437.5421 2455.8923 2396.9697 6618.1818 6253.8324 7537.7897 4428.6195 3548.6631 6436.2806 3491.2656 10077.0053 4934.1751 5534.0067 7446.4043 4321.0339 3534.1751 4141.3547 3557.3975 4269.8752 3752.1886 5429.0553 4520.6774 5074.6881 6408.5562 6838.5522 4451.0101 3974.1533 9215.6496 6072.9055 6005.3872 9714.8349 7179.1246 4159.1667 4396.7412 5214.1765 7557.9000 3122.3706 3224.6118 4318.4441 5387.8222 6318.5294 9472.2765 2347.6444 6333.4328 11034.5278 5143.1471 9228.2361 5399.8412 6573.8647 5181.7706 3720.6441 4221.0206 2887.5000 1980.6111 1884.2353 5194 7822.2667 5464.2000 2676.4706 7217.1045 2773.0500 3811.6029 5239.7333 4267.6027 creatinine Creatinine 1025.6684 898.3957 667.5579 958.2888 816.6667 507.9125 654.0404 1714.4385 1013.1907 567.7362 1581.4815 495.3654 727.8954 1038.1462 743.6720 885.0168 1556.7340 791.4971 2838.6809 1947.9798 1548.4848 1363.8146 736.1854 1058.2492 2873.6185 4958.6453 2629.0553 2604.0998 2282.6599 3667.3401 1662.0321 3767.3308 1483.6007 1158.4175 1427.8607 2286.1953 3490.6667 7765.3471 5037.5294 5432.0972 4220.7941 3254.5882 6410.2500 5281.1111 5632.3235 2480.4294 1767.2667 3878.8619 3777.2778 4971.0294 4238.2083 4680.5294 8038.0588 450.8618 617.0706 661.8500 292.8333 397.8333 527.8000 549.5000 531.1833 612.1500 460.3529 471.1418 461.0667 469.7000 577.1111 576.7808 fructose 1 Fructose 237.0766 529.0553 812.2995 732.4421 163.8047 208.5859 720.0337 315.6863 124.7772 577.7184 170.8754 546.5241 954.5455 1245.2763 828.5205 420.7071 370.0337 267.5260 219.6078 1351.6835 364.3494 224.5989 447.9501 226.2626 253.2977 349.3761 229.5900 761.1408 177.9461 230.9764 214.6168 523.0386 204.6346 230.9764 191.5423 411.2795 780.5000 390.4765 365.6471 530.0167 181.5059 201.2706 389.2618 485.6444 1153.8676 454.3000 1694.3111 181.9216 448.0972 773.3971 694.0694 524.7529 333.5294 247.4088 420.2882 158.2412 268.3333 392.4861 224.8235 525 407.1278 494.5500 184.1412 412.0597 257.1333 428.2559 314.6889 622.8082 fructose 2 Fructose 195.9002 380.5704 592.6916 450.4456 208.5859 175.5892 644.6128 303.2086 204.6346 325.6684 164.9832 323.1729 318.1818 1023.1729 636.3636 288.7205 163.8047 305.5179 195.9002 252.1886 189.6613 182.1747 286.9875 189.7306 218.3601 215.8645 184.6702 229.5900 114.3098 183.8384 160.9626 183.0635 147.2371 181.4815 300.7689 313.4680 236.8333 152.8471 239.6471 308.6028 212.8000 195.9176 220.1500 402.8889 929.6618 308.5353 844.9778 138.0410 258.8056 572.9706 503.7083 272.3824 343.5353 175.8235 225.9353 272.5265 198.3333 75.9306 157.3765 235.6667 87.9667 142.8000 49.2471 254.5075 182.8750 71.5853 198.1778 159.6575 fumarate Fumaric acid 7111.0517 55535.8289 19439.0374 10362.7451 11194.1077 3653.1987 7050.6734 24407.6649 18830.1248 50660.7843 17194.7811 49470.4100 55215.4421 17184.3137 59793.2264 38593.0976 37085.8586 13653.3243 8209.0909 7411.2795 3717.1123 10101.9608 3529.9465 16676.2626 11102.6738 9954.7237 7590.1961 16661.4973 20236.3636 16731.6498 6359.8930 25676.8369 10488.7700 12348.9899 15638.3989 13540.4040 1520.1667 4351.3647 2438.4706 6705.5139 2379.1353 2012.7059 5255.4147 2349.8222 6993.4118 6170.7059 1189.0667 4640.3731 10789.6250 4881.5735 7048.7083 5678.8941 9016.4118 2145.0471 4759.2176 9440.4676 2985.5000 2750.6111 4548.9294 8061.6667 8080.5278 5179.6500 6817.5059 7233.7687 3088.9250 4597.7853 7128.9556 7501.0274 GABA gamma-Aminobutyric acid 586.4528 1089.3048 1315.1515 794.8307 506.7340 236.8687 390.0673 1457.3975 494.1176 1195.3654 595.1178 1084.3137 971.9801 401.7825 827.2727 1144.2761 1158.4175 957.7114 691.2656 1025.2525 872.1925 1639.5722 456.6845 961.6162 864.7059 1252.7629 1046.8806 1302.6738 1015.8249 961.6162 910.8734 1987.5467 580.2139 889.7306 1473.7675 728.2828 739.6667 2668.8529 1822.0588 2713.1806 1031.9235 1245.0941 1848.8029 1377.4444 1943.1176 1990.9029 909.2222 1091.5299 2658.6389 2537.6029 1327.1806 1029.4941 1785.4941 717.1088 817.4971 1184.2971 394.3333 659.8472 723.7176 1088.5000 978.9111 809.5500 975.3059 966.5224 533.1083 512.4000 1009.4000 1104.6575 glucose 1 Glucose 1093.0481 704.9911 4907.4866 2682.7094 1225.5892 479.6296 2536.0269 481.6399 534.0463 977.0053 465.4882 797.3262 2395.8074 2148.6631 175.9358 864.9832 208.5859 2304.8394 2444.3850 6380.1347 4478.2531 1962.7451 3281.6399 3147.6431 698.7522 561.4973 466.6667 2408.1996 392.4242 365.3199 776.1141 1098.3811 450.4456 995.7912 580.9588 868.5185 11695.8333 18690.3294 17343.5294 16840.0750 10061.8412 18221.4118 11392.9529 16380.1556 38218.0441 15030.7706 14619.4222 11072.5373 19253.2083 20515.9706 16964.5972 14566.3412 20954.5412 3723.6912 4544.2147 4249.9059 3469.6667 3407.2500 2414.1765 6044.5000 3587.4611 4173.7500 2054.4588 3708.5373 3895.7917 3309.2500 4231.4222 3687.9452 glucose non-meox Glucose 878.4314 242.0677 1103.0303 1952.7629 2404.0404 687.0370 326.4310 309.4474 396.7914 227.0945 242.7609 454.1889 265.8780 1768.0927 429.2335 595.1178 667.0034 680.6875 2546.7023 4645.4545 5375.4011 3074.5098 2682.7094 2973.2323 295.7219 303.2086 168.4492 291.9786 266.3300 208.5859 645.0980 454.7530 506.5954 770.7071 769.3351 1458.9226 960.1667 205.3882 198.8824 422.1778 159.6000 413.2471 263.5706 343 423.5000 422.7176 520.4889 324.5336 559.3194 1388.2647 445.9583 523.6412 2649.3353 185.8706 734.8971 388.0676 480.6667 242.7639 160.5882 521.5000 474.7944 741.3000 191.6353 280.2612 147.4083 567.6588 637 645.8219 glycerol Glycerol 32797.6827 37878.6096 42610.1604 35424.2424 32446.2963 10448.1482 17187.7104 40586.2745 25801.4260 31932.9768 18215.3199 31843.1372 37642.7978 30589.1266 56044.9198 41241.0774 34111.4478 28053.8218 27640.6417 27324.7475 28833.5116 29665.7754 23937.2549 32520.5387 31215.5080 40459.0018 30466.8449 35733.6898 50669.8653 33233.5017 26167.0232 49222.2914 33563.8146 39099.8317 28666.4405 37484.1751 59628.3333 92036.6177 128017.2353 121637.6778 87402.9059 97993.0823 95683.7412 105330.4000 154760.9412 142064.7118 79841.6889 102930.1679 199035.3750 111382.7647 123225.6667 114316.0941 134644.7118 24426.9118 100903.1882 94616.9206 67609.5000 66870.2222 34977.1882 105708.1667 107876.4556 99709.0500 76825.4118 101174.2910 57982.4583 80039.8941 89276.9111 96863.2192 glycerol-alpha-phosphate sn-Glycero-3-phosphate 774.8663 596.4349 964.5276 1423.7077 1595.6229 467.8451 358.2492 829.7683 808.5561 910.8734 592.7609 499.1087 1579.2860 492.8699 1273.9750 2507.7441 1626.2626 1024.1972 2020.1426 2683.3333 1310.1604 1346.3458 889.6613 2802.3569 1774.3316 2055.0802 580.2139 2611.5865 703.5354 916.8350 953.2977 2382.7314 1458.6453 3032.1549 688.6024 1051.1785 2819.8333 4425.4000 3032.6471 3304 1942.5824 2637.9294 4231.6029 5301.8000 6740.8971 3664.7676 1218.4667 2355.8396 5019.9722 2749.3529 2067.2361 2360.2765 2000.0647 1297.3265 7205.6353 1378.9588 669.6667 2317.4861 2116.5529 4095 5174.2444 5015.8500 2480.5529 1084.6866 1139.3667 1221.9735 1454.7556 2599.1096 glycine Glycine 4292.3351 14128.5205 7193.4046 13504.6346 6012.4579 3503.5354 13983.5017 8499.8217 4652.9412 5377.8966 4249.4949 6021.7469 20199.4604 3959.1800 13807.8431 4545.2862 2349.8317 3202.3971 10476.2923 34336.5320 10366.4884 4077.7184 5608.7344 6470.8754 7179.6791 8221.5686 4221.2121 19241.8895 6548.6532 7566.8350 5865.7754 8855.3342 5890.7308 480.8081 687.0194 12108.5859 26618.6667 36504.1765 23970.8823 27836.2000 12669.4235 12549.4353 5586.7824 36498.4667 44010.0294 3689.0618 34260.8000 22475.0933 42944.6111 4625.6618 27652.6250 27367.2000 30614.6647 20801.1794 13990.9824 16318.9353 4832.3333 6259.4583 14770.9059 20727 21033.0556 27865.9500 10076.3765 15549.1940 11493.4167 28070.2265 23760.6444 22823.8356 glycolic acid Glycolic acid 9216.0428 6620.6774 7167.2014 10265.4189 12046.1280 5783.8384 2253.1987 8847.9501 6326.2032 7565.2406 7503.1987 6544.5633 4605.6455 5490.1961 6409.8039 13923.4007 14328.7879 14599.9548 4511.9430 10408.0808 11005.3476 13403.5651 11861.3191 16362.7946 5065.9537 7596.4349 6688.0570 6136.5419 10722.7273 8375.2525 2958.4670 18460.3570 8547.2371 14769.5286 12095.6581 11924.7475 3644.6667 3298.1529 5652.7059 7863.0611 4310.7647 4628.1529 5378.8206 4827.0444 9044.1029 7997.6235 2223.5111 6391.9403 5144.0278 7723.7794 7912.8194 6696.1588 2793.8647 2718.9853 250.2294 6976.4265 3375.1667 4645.6667 2254.6588 8878.3333 115.0333 3498.6000 6805.7294 834.7239 1683.5583 4444.5676 6001.9556 5822.4658 heptadecanoic acid Margaric acid 3592.3351 5286.8093 4767.7362 3271.6578 3084.0067 1214.9832 1740.5724 4625.4902 3477.5401 4568.0927 4271.8855 4368.4492 3598.7962 2757.5758 5377.8966 4964.8148 3498.8215 3979.6472 2944.7415 2081.1448 2979.6791 2841.1765 2634.0463 3137.0370 3060.7843 3695.9002 2445.6328 3368.9840 4232.9966 3243.0976 2713.9037 4315.0685 3386.4528 4301.3468 2751.2438 3840.5724 1447.8333 2730.9471 1976.4706 2201.5194 1797.0647 1996.6471 3200.1735 2043.8444 3912.2794 3463.1265 1099.7778 2563.3582 5507.6389 1979.3529 2496.0833 1743.2471 2022.3000 1439.2412 2720.9412 3390.8824 1304.3333 1952.8056 1509.5294 2392.8333 3847.9778 3384.1500 1554.4941 1898.2015 1421.9917 1584.9235 1476.5333 2206.4384 hydroxylamine Hydroxylamine 144035.2941 128574.1533 140247.0588 140158.4670 101590.7407 50629.7980 53771.5488 134141.7112 99614.6168 155973.9750 123058.5859 106630.8378 205772.1046 163199.8217 128876.1141 139562.7946 139044.2761 161142.4695 117521.3904 150449.3266 132664.3494 125528.3422 125082.8877 99448.3165 89495.1872 136028.3422 119602.6738 124451.5152 163545.4545 131155.7239 103341.7112 217913.8647 117745.9893 151045.6229 132996.8340 127414.1414 111764.3333 106014.9588 145643.6471 155839.8139 54030.0765 88362.0706 69872.8677 143548.2222 191286.1176 79811.0353 60332.0667 78509.7015 176669.0139 89667.6323 126293.9028 128901.3353 141617.7000 187077.4912 133939.5441 247415.1029 93982 42269.7917 197099.5765 197152.6667 396496.2167 178232.2500 147535.6235 245396.7015 197926.1667 218841.2676 175277.3556 203307.3288 hypoxanthine Hypoxanthine 855.9715 919.6078 1187.8788 1206.5954 9222.5589 333.5017 219.1919 598.9305 567.7362 3357.7540 434.8485 632.6203 3587.1731 2745.0980 5571.3012 11205.8923 2034.0067 793.0801 2020.1426 524.4108 1771.8360 2163.6364 2254.7237 7156.7340 738.6809 940.8200 460.4278 1770.5882 13305.8923 998.1481 7289.4831 7318.1818 3235.4724 9569.0236 1576.6621 2275.5892 16256.3333 52354.8941 23365.5882 17647.7194 27889.3177 22531.6000 20985.0941 12087.7556 39238.2941 22609.3206 5998.6889 37201.6045 95261.8333 26623.8823 24230.4028 33064.9941 42830.7353 15722.3912 23367.2971 25862.3853 101.5000 12513.5694 10818.2941 23331 24151.3611 21531.3000 14745.2118 10666.5896 31870.1250 19253.9323 24484.7556 15268.1507 inosine Inosine 4687.8788 9590.3743 9846.1676 316.9340 731.8182 1039.3939 6995.2862 1924.0642 6590.7308 3831.9073 2085.8586 7265.7754 13107.9286 3032.0856 3598.5740 203.8721 764.8148 3550.6558 502.8520 1014.6465 1164.1711 4158.8235 1957.7540 823.7374 17284.1355 1400 3527.4510 45395.1872 12975.9259 1449.4949 7294.4742 3501.4529 697.5045 405.3872 1720.7146 398.3165 12698 86292.9118 95000.2941 12136.4639 17049.8177 25792.6118 34580.3088 13503.3111 26617.0882 26881.4412 9013.8222 65436.0261 82986.7500 42037.4706 11396 70712.6824 16922.1706 14396.1794 58269.4412 9809.6971 5625.6667 7847.5833 89711.0118 41038.6667 23885.2056 30286.2000 39586.0706 16143.0448 25994.8500 9097.6118 13042.7111 66892.1918 inositol myo- Myo-inositol 210.8734 310.6952 738.6809 386.8093 271.0438 154.3771 216.8350 325.6684 227.0945 406.7736 263.9731 703.7433 342.8809 195.9002 492.8699 351.1785 392.4242 213.7042 284.4920 332.3232 371.8360 133.5116 264.5276 385.3535 338.1462 294.4742 359.3583 197.1480 293.4343 328.7879 461.6756 454.7530 338.1462 2048.1481 381.5016 271.0438 4204.6667 5778.3353 3908.4706 4580.8583 3344.5588 5792.9529 3679.3235 3757.7556 10734.7059 3341.6559 2193.0222 3765.5037 6966.3611 6970.7647 4410.3889 3206.3294 5713.3588 887.9088 1494.0882 889.1647 513.3333 1029.8750 845.7647 1201.6667 1195.4444 1220.1000 995.6471 609 815.7333 826.3706 997.4222 1219.7260 lactic acid Lactic acid 96571.3013 101022.1034 101456.3280 196702.4955 87122.8956 69835.0168 45434.0067 207056.5062 115511.2299 81188.7701 100448.8215 61360.4278 62367.9950 89963.1016 119670.0535 87339.7306 158065.6566 90621.6644 74715.3298 112068.3502 93217.2906 102331.0160 65681.4617 103866.3300 146801.6043 135484.3137 80727.0945 131411.5865 118974.0741 109673.7374 57245.2763 151931.0917 90673.0838 75392.5926 84315.0158 196406.5657 46641 116514.8353 85465.0588 122554.3083 81526.6529 64220.3059 174392.3176 203527.4889 146809.5588 94635.3059 58634.4889 34204.9254 61587.1667 96859.2059 167694.2361 68570.3118 440.2588 43296.5441 17316.8471 83835.1706 32888.3333 49206.2083 48879.8471 451148.8333 87647.5056 1983.4500 63727.8353 60624.2836 33424.0083 148604.7912 135617.8444 82764.4521 lauric acid Lauric acid 8816.7558 9443.1373 12157.0410 10335.2941 7481.9865 3927.7778 4134.0067 10231.7291 8352.5847 8390.0178 7496.1279 9735.1159 9703.8190 7440.4635 15091.8004 12188.7205 12226.4310 10063.0936 5532.6203 6832.6599 7562.7451 7542.7807 7893.4046 7372.3906 9586.6310 9944.7415 8523.5294 8825.4902 8389.3939 7657.5758 11659.1800 19337.8995 15146.7023 13697.1380 23198.7788 18716.1616 5535.8333 6745.5706 7014 9884.4667 3771.7235 6137.6824 5065.7353 7995.7111 9669.1618 13635.0735 3908.0222 8396.7351 19656.3889 7721.5147 14925.1667 8241.5118 12838.6588 5338.7559 5910.7588 6661.2000 4313.1667 4634.9722 2653.9882 7484.1667 8460.5889 11272.8000 3864.8235 12998.0597 3579.9167 5067.4853 7811.6889 6960.2055 linoleic acid Linoleic acid 1206.5954 1013.1907 1189.1266 771.1230 1496.6330 227.4411 412.4579 1699.4652 1118.0036 808.5561 619.8653 887.1658 646.5338 821.0339 2367.0232 1912.6263 1001.6835 960.8774 603.9216 703.5354 958.2888 875.9358 1316.3993 1285.6902 1120.4991 1940.2852 749.9109 1617.1123 1539.0572 720.0337 1443.6720 2019.5102 1957.7540 2688.0471 838.9869 1573.2323 267.1667 2801.4000 350.8235 441.6806 567.9882 483.9059 941.5412 534.6444 938.7206 1058.0088 247.1778 963.5448 4685.2361 643.1765 676.9583 812.7000 607.0235 231.0824 394.7794 330.2971 184.3333 377.5139 235.5294 590.3333 545.8444 1128.7500 391.8353 621.1194 515.3750 447.0941 429.0222 602.6712 lysine Lysine 563.9929 914.6168 1051.8717 1084.3137 831.9865 220.3704 293.4343 563.9929 275.7576 1297.6827 230.9764 374.3316 351.5982 234.5811 1474.8663 1079.4613 730.6397 690.1854 973.2620 613.9731 1835.4724 1254.0107 449.1979 888.5522 252.0499 764.8841 356.8627 193.4046 916.8350 1540.2357 500.3565 2061.6438 586.4528 959.2593 413.1615 1039.3939 42621.8333 50229.3647 39386.1177 39722.5694 22883.8235 31114.5059 22220.6765 22702.2444 78678.1471 19471.7353 1022.4667 23580.3358 78629.8333 34257.0735 28857.8889 31779.7941 41249.8059 9493.2147 10713.7059 10280.6529 101.5000 6026.3194 8943.6941 13770.1667 12300.6722 8664.6000 8665.3412 4064.5448 6796.3000 6295.7382 12767.2222 8719.3151 malate Malic acid 5748.4848 71996.4349 22481.1052 7175.9358 5974.7475 2353.3670 8240.9091 23282.1747 14505.3476 63250.8021 8968.0135 70234.5811 71128.8917 15715.6863 74684.1355 28223.9057 19325.4209 7454.3193 459.1800 694.1077 685.0267 626.3815 406.7736 862.6263 4131.3725 5337.9679 3089.4831 2446.8806 1907.9125 3489.3939 5944.3850 8730.3861 7909.6257 7084.8485 4125.2827 5449.1582 961.3333 2321.3647 1565.1176 3717 2159.2941 1246.1647 3792.0647 3196.9778 4051.5588 3375.6676 1327.3556 6033.5821 19582.5972 2470.7941 12736.0139 5106.3353 24895.7471 629.1971 2091.7235 1578.6441 733.8333 679.0972 3413.0353 10183.8333 1755.9500 7594.6500 4789.8118 16517.2313 2274.3000 5686.6353 11991.9333 10347.5343 methionine Methionine 683.7790 539.0374 1210.3387 1711.9430 1449.4949 971.0438 400.6734 1363.8146 408.0214 789.8396 976.9360 446.7023 1053.3416 700 3606.0606 839.0572 1369.3603 737.6753 2193.5829 2203.7037 3564.8841 1166.6667 1129.2335 1238.5522 799.8217 2735.1159 739.9287 848.4848 908.5859 2366.3300 1589.6613 2097.9660 124.7772 472.5589 96.5626 2477.1044 9537.5000 33652.6235 25160.4706 22822.8389 10028.2000 6537.0118 8023.6676 20251.1556 18424.5147 703.3147 4077.8889 8895.8769 30744.3889 1191.2353 2230.8611 16817.6647 22221.9529 7011.5912 10575.2294 6973.9147 102.6667 3374.0972 7261.8000 2513 6878.3167 7891.8000 3893.7294 1068.0224 3526.7167 5754.4529 6843.6667 5012.6712 monopalmitin-1-glyceride MG 16:0/0:0/0:0 4858.8235 3960.4278 6710.5169 6862.7451 3505.8923 1561.4478 2385.1852 6669.3405 6069.1622 6996.2567 3172.3906 4418.3601 2735.7825 4375.9358 12515.1515 6246.9697 5703.7037 5073.4962 5184.4920 8348.1481 4654.1889 1941.5330 1665.7754 3068.6869 5047.2371 9530.4813 3504.9911 5543.8503 4557.0707 3172.3906 4180.0357 8996.2640 7354.3672 6842.0875 1085.9340 3446.9697 1701 3802.0706 1608.3529 3137.6528 1891.7294 2930.2000 1492.2971 1997.0222 1989.5441 2618.9059 286.3778 1502.9104 3324.9028 2290.7500 2724.9444 554.7706 442.4824 556.3559 4302.4882 627.9412 295.1667 1362.4722 532.0824 2744 2710.0500 773.8500 482.8353 346.9179 307.0083 287.5971 556.4222 716.3014 myristic acid Myristic acid 2891.0873 3309.0909 3522.4599 2853.6542 1919.6970 905.0505 1112.4579 2984.6702 2665.2406 3552.4064 2326.2626 2808.7344 2156.0814 1975.2228 4895.0089 3298.4848 3040.4040 2825.6445 1726.9162 1728.7879 2389.4831 2137.4332 1776.8271 1590.9091 2370.7665 2944.7415 2329.5900 2173.6185 2657.4074 2321.5488 2967.2014 6577.2105 4618.0036 3503.5354 6430.1221 5490.4040 1264.6667 2881.4059 1767.7059 2074.1778 1533.4118 1468.8471 2301.2912 1911 2769.7353 2340.7382 704.5111 2568.8433 4770.7917 1496.9706 3122.7778 1910.0118 2798.3118 1199.3676 1777.1147 2178.9559 1066.3333 999.9306 854.3294 1972.8333 2145.0333 2392.9500 1005.2824 2137.5597 1160.4250 1302.3500 2068.8889 1910.1370 nicotinic acid Nicotinic acid 2469.3405 2667.7362 3574.8663 3893.0481 4875.2525 1940.9091 461.9529 1861.6756 3916.7558 2853.6542 1654.5455 4555.6150 1691.1582 1718.1818 2771.3012 3139.3939 2468.8552 6756.2189 1458.6453 2843.6027 3707.1301 4867.5579 5285.5615 6430.8081 1647.0588 1967.7362 1683.2442 1653.2977 1997.4747 1836.0269 1113.0125 2238.8958 1634.5811 2303.8721 2635.6852 2550.1683 753.6667 1294.4235 1961.6471 2058.1167 1358.1647 1530.9412 1303.3794 1551.6667 2961.1029 2339.5235 829.7333 1976.4552 2134.6111 1637.3824 2021.2500 2044.5353 2257.9941 1155.4118 3917.4265 3741.2735 2145.5000 3036.1528 1153.0235 2780.1667 3966.3944 4056.1500 4706.3059 1804.2761 1409.8000 2754.1500 3285.1778 4453.1507 octadecanol Stearyl alcohol 1242.7807 1205.3476 1328.8770 1481.1052 797.8114 360.6061 476.0943 945.8111 1096.7914 1231.5508 1114.8148 950.8021 774.3877 902.1390 1481.1052 1444.7811 972.2222 786.7481 749.9109 819.0236 668.8057 656.3280 683.7790 644.6128 824.7772 952.0499 771.1230 845.9893 879.1246 966.3300 595.1872 1017.0195 1132.9768 1099.4949 663.2745 864.9832 513.3333 614.9706 588 807.6444 489.7529 741.9176 662.7353 528.1111 1089.3235 1549.9647 350.6222 718.5448 1207.4028 886.6324 911.1667 399.1235 548.1000 351.6471 1189.1971 923.0735 368.6667 486.5972 305.1176 564.6667 990.1889 868.3500 342.5882 722.6194 406.7583 425.7441 610.8667 553.7671 oleic acid Oleic acid 1478.6096 1427.4510 1789.3048 1127.9857 1648.6532 281.6498 436.0269 2218.5383 1464.8841 1174.1533 922.7273 1751.8717 913.8647 1025.6684 3219.2513 1933.8384 1286.8687 1394.6178 702.4955 717.6768 1386.2745 889.6613 1303.9216 1253.8721 1549.7326 2231.0160 917.1123 1784.3137 2175.4209 993.4343 1897.8610 2212.7439 2043.8503 3033.3333 728.1773 1886.7003 185.5000 3488.0176 554.6471 617.2056 474.1059 487.1176 1033.7147 592.3556 1188.9706 1173.4059 173.1333 881.2687 4843.5139 505.0294 798.8750 724.8706 509.1882 252.4324 501.6735 264.9912 224 282.3333 180.9294 931 374.4222 1295.7000 347.9412 749.8881 468.8250 556.3559 515.0444 431.5068 oxalic acid Oxalic acid 121223.5294 80096.9697 217430.4813 138218.1818 233604.3771 67875.2525 7843.7710 36121.7469 25234.9376 32509.4474 19835.6902 105074.8663 26786.8410 15298.9305 30696.4349 35344.1077 36579.1246 269644.0525 32981.1052 99706.3973 337582.1747 261218.5383 174211.4082 182710.6061 43602.1390 29387.5223 30144.9198 64524.7772 39588.8889 28056.5657 9423.1729 49582.6069 17604.8128 49311.1111 92013.1162 26925.2525 55959.1667 94233.7941 161616 330253.1556 138393.5412 145481.1647 146088.1882 143532.9778 358356.8676 239821.8118 121737.7778 183601.9030 218592.3056 169958.2500 211131.8611 274739.2941 1008935.3650 58776.5500 275860.9206 203086.2235 130657.3333 277274.8611 54830.1765 170884 84664.5333 329492.1000 278031.7647 112024.1866 52360.9917 249478.5176 260281.4667 248998.1507 oxoproline Oxoproline 4068.9840 33832.0856 10111.9430 21932.0856 6646.4646 4105.7239 22387.0370 20226.3815 6767.9144 10380.2139 4627.7778 10244.2068 15005.3964 4269.8752 25705.3476 13252.8620 10646.1280 7637.9466 7364.3494 37782.3232 14618.8948 11120.1426 7384.3137 11801.0101 9347.0588 7128.5205 4882.5312 10508.7344 4644.2761 7530.3030 6533.3333 14661.0627 4170.0535 20263.4680 4247.1732 15831.3131 36662.5000 87304.3294 69960.8823 56279.2806 40696.4353 34861.5647 62284.9294 48690.7556 85371.4853 28385.2471 27010.9778 71716.4366 37727.8611 41690.9706 43095.4028 81810.3176 37989 15339.3471 46728.5206 18038.2382 1610 29632.1667 28743.1529 28425.8333 32140.5389 22772.4000 26607.3294 8338.1493 7346.0333 14350.9677 23363.2000 28116.9863 palmitic acid Palmitic acid 41574.5098 141836.7201 56029.9465 42717.4688 40431.4815 11626.5993 40311.2795 129327.8075 92829.2335 161044.9198 49780.1347 136354.0107 151685.5542 87116.9340 196467.9144 176190.2357 155500.1684 44301.6735 18974.8663 18142.2559 32656.6845 34021.7469 33914.4385 24001.5151 56087.3440 48658.1105 23285.9180 52033.3333 36104.2087 23789.3939 25397.1479 48263.3873 31211.7647 43536.7003 33030.7553 36879.6296 10350.6667 34495.6706 14572.7647 15548.3028 13003.4882 14751.6353 21864.9323 16613.1778 31652.6618 28873.5588 5532.6444 19793.8060 46589.2778 16547.0735 18417.9722 16061.6647 16627.5529 9293.5294 18157.4235 16013.7559 6535.6667 9681.6806 9952.1882 16863 19981.9667 23072.7000 13086.8706 12460.2612 11300.5667 10528.0618 14081.5111 15161.7123 palmitoleic acid Palmitoleic acid 3785.7398 3188.0570 3685.9180 3790.7308 2959.0909 1356.3973 372.3906 4037.7897 3522.4599 2183.6007 3300.8418 4297.3262 1720.2159 2259.7148 5661.1408 4106.9024 5317.1717 3273.6318 1832.9768 2931.9865 3095.7219 1996.4349 3833.1551 2415.8249 3115.6863 4897.5045 1805.5258 4611.7647 3461.1111 4577.1044 4331.0160 6388.3354 4871.3012 4579.4613 2315.9204 8166.6667 682.5000 7698.4765 1729.4118 2664.9972 1596 1589.8235 2478.7824 3682.6222 3380.0735 3842.1147 843.8889 2663.9179 10633.4861 1787.9853 3061.8194 3206.3294 5346.4765 1062.4765 1378.6912 1293.5588 840 926.1389 4211.6941 3218.8333 1273.2611 2893.8000 1242.9529 1563.4030 1827.6417 1535.9441 2484.8444 6922.8082 pelargonic acid Pelargonic acid 22686.9875 10805.7041 15715.6863 18097.6827 10597.8114 7959.2593 6952.8620 21459.1800 13777.8966 26039.7504 12979.4613 16413.1907 11265.6704 11248.6631 16032.6203 12797.9798 13707.7441 16368.1592 7993.2264 11263.6364 10330.3030 11763.9929 11458.2888 19707.2391 10627.2727 11107.6649 15019.4296 15471.1230 13117.3401 13659.4276 7467.9144 14233.9145 8774.3316 13097.3064 22700.1357 5405.5556 7774.6667 9537.4176 5368.5882 8243.9389 4519.6529 6100.2118 4729.0353 5492.3556 11779.8677 8569.7500 2503.3556 8470.7836 10974.6389 4362.9559 5361.1250 4840.6235 4642.7294 3983.6588 7764.4000 7313.0029 1922.6667 3525.9583 2974.0941 6093.5000 15965.9500 10741.5000 3344.5176 6341.4776 3475.7333 5388.9912 5276.7556 6146.0959 pentadecanoic acid Pentadecylic acid 3094.4742 3490.0178 3235.4724 3009.6257 2042.2559 795.4545 810.7744 2420.6774 3057.0410 3553.6542 2985.0168 2097.5045 1522.6235 1891.6221 4498.2175 3028.6195 2177.7778 2559.7015 1574.6881 1431.8182 2350.8021 2102.4955 1593.4046 1731.1448 1506.0606 1263.9929 1770.5882 1545.9893 3185.3535 2438.2155 1679.5009 2750.3113 2327.0945 1877.2727 2216.1918 2433.5017 970.6667 2087.3176 1872.7059 2097.1222 2218.7529 2091.9294 2594.5706 1338.2444 2935.0588 2056.4971 638.0889 2996.6791 3868.1806 1791.3824 2719.5972 1729.9059 2190.1765 1377.7029 2945.6618 2088.5324 1193.5000 918.6528 1007.4235 1249.5000 2800.2722 1937.2500 896.0824 1466.4478 1119.4167 1626.3676 1676.8889 2263.9726 phenylalanine Phenylalanine 1267.7362 1935.2941 5445.2763 5774.6881 4892.9293 2326.2626 965.1515 4832.6203 860.9626 1758.1105 2156.5657 1589.6613 2466.9988 844.7415 9802.4955 2388.7205 3302.0202 1703.3017 8231.5508 8231.4815 14289.4831 4095.1872 2771.3012 6396.6330 2555.4367 13570.7665 2745.0980 2332.0856 3952.5253 8384.6801 3125.6684 9086.3429 4680.3922 1813.6364 522.3881 9491.2458 61869.5000 157604.4235 47749.0588 81636.3333 27016.9941 40133.1412 26042.4500 75191.0444 93287.7647 9275.4941 17112.9778 28497.7052 270028.3056 22901.8382 28384.1250 35006.1353 129204.8471 15346.8823 37869.6706 21977.9412 107.3333 35510.9028 39757.3647 16681 52886.0111 44023.3500 25426.4706 10327.2463 12173.9333 30750.2794 33436.5111 40167.5342 phenylalanine TMS1x Phenylalanine 865.9537 2390.7308 4389.6613 793.5829 1187.8788 672.8956 121.3805 1790.5526 567.7362 1194.1176 610.4377 1383.7790 1069.3234 514.0820 3311.5865 1715.8249 1883.1650 1081.1850 1084.3137 1739.3939 1914.0820 1564.7059 793.5829 1458.9226 1098.0392 2611.5865 1303.9216 865.9537 3795.7912 1265.6566 418.0036 4002.6982 2565.4189 2421.7172 1201.4925 2413.4680 13583.5000 24607.1823 15997.0588 10585.4194 8936.0353 10014.2823 12722.9941 8947.4000 13005.0735 20650 21668.8889 7053.8060 39056.1111 33411.2059 27485.7917 4985.1529 9999.2118 2554.4647 25463.8794 4065.2912 15167.8333 15298.4028 11391.0588 26458.8333 26647.1333 4842.6000 17203.2824 10828.6866 4154.0333 12453.3294 14886.2000 21148.1507 phosphoethanolamine Phosphoethanolamine 1745.6328 3935.4724 4490.7308 3261.6756 4739.7306 1058.2492 826.0943 3254.1889 1014.4385 4636.7201 1412.9630 1342.6025 2526.5670 1975.2228 6596.9697 13598.1482 6736.0269 3238.8060 3359.0018 2888.3838 1846.7023 2025.1337 984.4920 4425.0842 2245.9893 6906.4171 954.5455 1161.6756 741.2458 1846.6330 2078.7879 7233.9145 4579.3226 10155.8923 2019.9005 2042.2559 3427.6667 12547.7882 2679.3529 4437.4556 2518.3941 2752.4824 2624.2794 969.1111 4429.7647 3216.5412 811.2222 3696.0261 14551.9306 2157.1324 2865.0417 2084.5588 4374.7941 837.6735 1887.6529 2310.8235 562.3333 1530.3750 1251.5176 2125.6667 3849.1056 1365 1004.2118 784.7313 816.8417 675.6647 1301.2222 1598.0137 phosphoric acid Phosphoric acid 360794.4742 508022.8164 551148.3066 247713.9037 293730.1347 45396.2963 71746.4646 283442.6025 105232.0856 987116.0428 210807.2391 533151.6934 600172.2707 158907.4866 655506.9519 402774.5791 397605.8923 348605.3822 197587.1658 163874.2424 202273.7968 209392.3351 62847.7718 183984.5118 178470.0535 348881.9964 192910.5169 195469.6970 155270.3704 271535.1852 93263.4581 424750.9340 247965.9537 226180.1347 104273.4057 114967.3401 2632208.8330 2774576.5350 2478169.2350 2399307.4390 2030851.3240 2358754.2590 2035375.1150 2373046.0440 2592654.5440 3218225.9740 2060912.7780 2274362.4250 2792592.1530 2446909.3970 2922058.0280 2182615.3590 2252984.5060 1597895.5380 2504978.6180 1784581.1940 2243025.1670 2057677.4170 1475327.3290 2472579.6670 1952547.6060 2056852.3500 2157905.4820 3537596.1640 1483667.0920 2244826.9120 2071273.5560 1536147.1230 phthalic acid Phthalic acid 11344.7415 26150.8021 27850.2674 16149.9109 14243.9394 5336.0269 7355.8923 16626.5597 8282.7094 20260.0713 9578.4512 17818.1818 14768.5762 7617.6471 18039.0374 27004.2088 34667.6768 34583.6726 17039.5722 12424.4108 12606.2389 24536.1854 11496.9697 13653.5354 12319.2513 17168.0927 8965.2406 11817.6471 19477.4411 11237.7104 8814.2602 39983.3956 11185.0267 17329.1246 22239.4844 15825.4209 6332.6667 12667.2000 10198.5882 24009.0667 8862.4941 7485.5529 12041.9765 9965.5111 18842.3529 14487.7971 6641.1333 9770.7463 18274.6667 14149.8823 15003.2361 14088.2823 22342.0235 4109.2471 9950.8706 11654.5882 5049.3333 5398.5556 5464.2824 14933.3333 9094.4000 6568.8000 9523.9529 6423.2836 4991.9333 6309.5529 8641.4222 8584.1096 putrescine 3TMS Putrescine 2906.0606 3647.2371 3916.7558 3158.1105 3016.8350 1106.5657 1432.9966 3506.2389 2668.9840 4052.7629 2381.6498 3171.8360 4004.1511 3806.9519 3514.9733 3271.3805 2517.1717 2602.4423 2183.6007 3292.5926 3179.3226 2888.5918 3200.5348 3099.3266 1461.1408 2818.7166 2319.6078 1751.8717 2823.5690 2750.5051 1346.3458 4108.7588 2560.4278 2107.0707 2219.3578 2399.3266 1929.6667 2584.0706 3300.7059 3204.1917 2259.4353 2163.6588 2066.6676 3509.4889 4798.9118 2705.1500 2191.9333 2847.6679 4449.9583 2196.7647 2898.1944 3077.3647 3651.0353 4268.7441 4832.1000 6099.8206 2193.3333 3027.5972 4448.2941 5285 7586.5611 4552.8000 5531.7294 8906.2463 6297.5500 4850.2176 4596.2000 6058.3562 ribose Ribose 252.0499 571.4795 510.3387 525.3119 682.3232 220.3704 348.8215 285.7398 298.2175 561.4973 215.6566 555.2585 697.3848 360.6061 602.6738 519.6970 242.7609 728.1773 345.6328 362.9630 460.4278 374.3316 343.1373 576.2626 422.9947 430.4813 243.3155 456.6845 668.1818 340.5724 305.7041 881.9012 316.9340 697.6431 345.0927 379.4613 5869.5000 8399.4235 3719.4706 7629.0278 4233.3118 2916.2824 4099.8176 6450.5778 7223.2794 6197.4294 3447.4222 4207.9664 19063.9167 3089.0588 9337.3194 3008.4353 10655.1529 6101.0765 5274.2529 8781.1294 7022.1667 7194.1528 1887.4471 11344.6667 5572.3500 6739.9500 1291.1294 7151.9627 6088.0750 6842.0471 8302.7778 4359.6575 ribose-5-phosphate Ribose 5-phosphate 134.7594 203.3868 229.5900 173.4403 318.1818 119.0236 141.4141 101.0695 107.3084 469.1622 103.7037 178.4314 303.6530 89.8396 265.7754 193.2660 187.3737 197.8743 320.6774 142.5926 219.6078 290.7308 183.4225 148.4848 106.0606 119.7861 104.8128 83.6007 104.8822 221.5488 134.7594 338.5222 121.0339 196.8013 220.0362 115.4882 1297.3333 19224.1000 21989.4706 7421.3806 11502.9353 14660.6353 16405.3647 5288.7333 17101.9265 9251.2000 499.8000 17328.2649 8664.6389 16363.6323 7100.0417 18282.9706 2151.2647 2045.8324 20151.9706 591.5206 488.8333 495.1528 4892.5882 2121 560.5056 5457.9000 3863.7529 2261.7836 1847.5917 3242.6882 898.3333 4542.3288 ribulose-5-phosphate Ribulose 5-phosphate 160.9626 178.4314 136.0071 168.4492 461.9529 197.9798 110.7744 96.0784 131.0160 440.4635 68.3502 227.0945 238.2731 119.7861 157.2193 140.2357 157.9125 330.8458 309.4474 117.8451 244.5633 416.7558 230.8378 147.3064 104.8128 104.8128 93.5829 84.8485 90.7407 274.5791 101.0695 280.4068 89.8396 131.9865 227.9512 150.8418 4417 26638.3765 17830.2353 6490.9833 11059.3412 13412.3294 15726.6323 3611.8444 15835.9559 7423.0676 1455.8444 16535.6716 7674.3333 14461.2794 5080.9306 15545.8059 9308.8059 1274.7206 18071.1794 518.6794 337.1667 983.8889 14196 1136.3333 1949.9278 3670.8000 11018.4941 1371.0075 1130.5000 2496.6941 2900.8000 15085.4795 sorbitol Sorbitol 776.1141 1668.2709 999.4652 2581.6399 860.2694 833.1650 11196.4646 1860.4278 1053.1194 1259.0018 702.3569 2072.5490 10040.8883 454.1889 1825.4902 1170.2020 1067.6768 1625.7350 925.8467 22059.4276 4077.7184 1179.1444 1093.0481 1061.7845 1114.2603 11051.5151 744.9198 8371.3012 843.7710 2399.3266 1191.6221 1278.5388 1044.3850 870.8754 1209.4075 1301.0101 1225 1387.5647 1530.5294 1010.7028 569.5529 885.3765 1927.2647 2562.1556 144930.9853 2391.7559 9805.4444 1307.2761 220.3056 1110.8382 1338.9444 2094.5647 1140.6706 702.0382 798.0618 987.1235 407.1667 294.0972 1224.7529 683.6667 954.1000 1129.8000 731.2118 1602.7910 1277.9083 2055.8794 599.9778 2547.3288 stearic acid Stearic acid 126494.1176 186831.3725 229427.8075 105086.0963 121198.9899 85212.6263 108273.7374 108067.0232 221922.4599 242725.3119 193099.8316 230077.8966 135558.5305 120310.1604 132134.0463 110274.7475 113093.6027 233376.0742 110683.6007 121313.2997 123212.4777 125197.6827 124765.9537 101145.2862 185725.8467 121672.7273 118389.8396 181494.6524 111236.3636 106914.9832 120095.5437 145044.4168 126098.5740 113546.1279 240127.5441 112242.7609 98460.8333 159864.8882 95520.3529 122557.7500 75655.8765 88227.1765 122524.5206 104820.8000 217872.6324 171463.0235 26516.6222 133939.1231 224093.5278 105910.1029 124820.2083 107682.1941 151523.5235 62799.1412 143975.4441 108470.5588 22206.3333 74921 73082.6353 93048.6667 212952.6389 192981.6000 105778.4000 67867.1418 67744.6583 47085.5412 66803.3333 96423.0822 succinic acid Succinic acid 28653.8324 96502.6738 80863.1016 56696.2567 41812.6263 12194.6128 26979.4613 53067.7362 30066.3102 124013.5472 62358.9226 81063.9929 41411.5816 20074.1533 22029.4118 145056.7340 184024.5791 133332.4288 75567.5579 60058.5859 62648.1283 152516.3993 37217.2905 38254.8821 121077.5401 67302.3173 48594.4742 111710.5169 85104.2088 93184.8485 29521.0339 296680.5729 38392.6916 80854.7138 105299.1859 133194.4444 21015.1667 64493.1000 25789.2353 102048.8583 22126.5059 22695.4000 37489.4882 30069.6667 86469.8677 61076.6265 89331.3556 101085.3545 31134.7361 176533.8235 121183.0278 112258.2176 92791.2177 15582.9882 61354.7941 43734.8471 31097.5000 16535.7500 55021.8118 153079.5000 54632.9389 26458.9500 91331.8823 50775.7537 21277.7833 35851.6735 55030.2667 77061.3699 sucrose Sucrose 102.3173 467.9144 2539.2157 494.1176 152.0202 185.0168 232.1549 1779.3226 160.9626 888.4135 401.8519 1603.3868 822.3329 247.0588 3072.0143 351.1785 478.4512 208.9552 159.7148 241.5825 229.5900 121.0339 1137.9679 176.7677 1332.6203 1336.3636 260.7843 136.0071 208.5859 313.4680 1492.3351 133.6654 511.5865 406.5657 1339.2130 485.5219 764.1667 459.7353 693 797.3194 258.9588 1054.5294 728.2471 2304.0889 2170.7206 717.8912 115.4222 885.8396 321.9028 4087.7941 2265.0833 652.6059 818.2588 591.5206 1195.2706 434.5353 64.1667 501.5694 299.7647 773.5000 1432.2778 555.4500 504.2471 169.6716 108.6167 483.5147 647.8889 943.5616 taurine Taurine 150.9804 86.0963 184.6702 64.8841 89.5623 102.5253 8282.1549 96.0784 137.2549 54.9020 100.1684 103.5651 101.7020 94.8307 102.3173 241.5825 219.1919 140.8865 13417.2905 1852.5253 2349.5544 2715.1515 119.7861 102.5253 107.3084 94.8307 104.8128 67.3797 1054.7138 267.5084 144.7415 8448.5264 103.5651 111.9529 72.8177 248.6532 170483.8333 151143.0529 21789.3529 147887.2694 48609.9353 6358.2235 84944.3823 200621.2444 306788.3824 4689.9794 8514.0222 44060.6903 302156.5556 8116.7059 104933.8889 74551.6059 302881.3941 101.7265 105.6794 921.8176 89.8333 88.7639 88.8588 87.5000 420.6611 605.8500 97.4235 159.0672 97.5333 95.4471 125.2222 73.3562 threonine Threonine 890.9091 1337.6114 877.1836 1317.6471 993.4343 457.2391 385.3535 998.2175 650.0891 812.2995 638.7205 843.4938 1153.5907 636.3636 2036.3636 744.7811 486.7003 506.5581 897.1480 1570.8754 1377.5401 788.5918 914.6168 1169.0236 739.9287 2156.1497 570.2317 989.4831 1007.5758 483.1650 925.8467 1342.4658 788.5918 685.8586 254.8621 1067.6768 3600.3333 11482.6353 16174.9412 8869.1750 4892.0529 478.5529 5555.5500 9495.1111 8724.7794 891.5941 3787.1556 4879.8881 12252.6250 553.7206 1499.3611 9666.7941 7996.9235 3048.0265 10417.3177 4676.9059 280 1488.6667 4077.8706 4960.6667 6442.9944 3931.2000 2621.8706 1190.7313 2008.3000 3491.3529 7063.6222 2312.8767 trehalose Trehalose 471.6578 601.4260 772.3708 486.6310 507.9125 364.1414 1238.5522 359.3583 390.5526 854.7237 456.0606 717.4688 1024.2839 576.4706 691.2656 592.7609 418.3502 675.9385 462.9234 1238.5522 479.1444 340.6417 469.1622 367.6768 408.0214 415.5080 385.5615 847.2371 344.1077 378.2828 408.0214 780.1993 622.6381 493.7710 438.4894 584.5118 1801.3333 2243.7471 2891.8235 2291.0028 2057.5882 2357.4353 2763.6824 2092.8444 3804.7059 3064.7029 1003.9556 2697.7425 1725.0139 2743.6912 2250.1111 1438.6235 2134.5882 1832.3324 2505.9382 1859.9618 348.8333 1840.5139 1222.6118 1681.1667 2204.8056 2127.3000 1478.4824 1489.1716 1234.6833 1176.7618 1120.4667 2215.0685 tris(ethylenglycol) NIST 14627.6292 15619.6078 20206.4171 13001.7825 11653.7037 4091.5825 7741.2458 18588.0570 9804.9911 14202.1390 8005.2189 17020.8556 14400.9963 12823.3512 16060.0713 12979.4613 12446.8013 13578.9236 8607.1301 11047.9798 10693.4046 11188.7700 11035.2941 11879.9663 10063.2799 13440.9982 13990.0178 12834.5811 11669.0236 10695.6229 11229.9465 15163.7609 11600.5348 10733.3333 12633.8761 14478.4512 3059 5218.2941 6113.4706 5355.2333 4529.0412 5711.5882 4393.8588 4476.4222 9871.8529 6222.9382 3075.0222 6788.6940 10169.3472 3869.2500 7118.2222 5190.8294 3381.9882 3399.6735 9163.7412 6402.4882 4118.3333 3722.7361 4097.1412 6401.5000 9871.4389 11105.8500 4706.3059 6111.2090 3987.7833 4081.6176 6387.4222 8013.0822 tryptophan Tryptophan 395.5437 497.8610 1810.5169 907.1301 558.5859 1071.2121 223.9057 536.5419 313.1907 647.5936 502.0202 729.9465 732.2540 262.0321 1846.7023 756.5657 1268.0135 1038.4441 1454.9020 1018.1818 1484.8485 869.6970 633.8681 952.1886 534.0463 1981.4617 883.4225 435.4724 999.3266 1315.1515 712.4777 2137.1939 903.3868 1328.1145 819.9910 1123.0640 5021.3333 18727.3471 7456.2353 8102.8306 3576.9176 6665.4824 4167.6147 6616.0889 14579.0441 3432.7588 2906.2444 4192.4254 27896.4583 7525.6176 5964.2917 5224.1824 14609.7000 1275.9765 5627.7324 2391.2000 700 3850 4217.0471 3549 10120.6778 4540.2000 4084.2941 1425.5448 1110.5500 2977.6971 3330.9111 6154.7260 tyrosine Tyrosine 2258.4670 6332.4421 19460.2496 6243.8503 5351.3468 1291.5825 826.0943 9033.8681 1104.2781 5238.1462 3476.4310 3772.0143 2331.8804 1054.3672 22835.4724 4592.4242 8291.5825 4060.3799 7985.7397 7761.2795 13011.7647 5460.2496 3064.5276 4638.3838 793.5829 12347.9501 3373.9750 696.2567 6593.4343 10121.7172 2927.2727 11271.4819 8172.9055 7732.9966 2289.0095 11111.6162 138645.5000 338196.8059 86167.9412 172407.9972 55439.8765 86907.1412 58982.6794 110370.8667 253789.7353 46270.5765 3962.4667 60926.3806 559640.2778 90342.5147 98855.1667 65568.5471 241081.7294 30550.5941 62225.7382 46212.7029 115.5000 62980.6528 90270.9294 68993.1667 154033.0167 79727.5500 69185.6941 24047.9254 22793.9833 39181.0177 73691.6444 79856.0959 tyrosine minor Tyrosine 244.5633 798.5740 962.0321 631.3725 467.8451 774.2424 90.7407 512.8342 313.1907 368.0927 347.6431 989.4831 1572.0216 436.7201 1543.4938 393.6027 380.6397 364.0886 371.8360 969.8653 1078.0749 318.1818 554.0107 588.0471 1096.7914 900.8913 358.1105 1005.7041 500.8418 748.3165 334.4029 579.7011 1332.6203 902.6936 470.1493 751.8519 8031.3333 13694.1412 5468.6471 4469.5778 4293.5529 15102.7882 4680.2824 18518.7333 10395 3851.8324 44257.8889 5890.0560 33713.1667 14603.9559 6401.6944 3614.3471 6999.6706 3845.5118 29058.1941 2405.0147 20722.3333 20031.7639 6220.1176 7425.8333 12081.8833 3705.4500 3947.2588 11964.8806 5196.9750 19734.9353 6715.1778 16751.0959 xanthine Xanthine 210.8734 262.0321 354.3672 410.5169 841.4141 141.4141 139.0572 170.9447 185.9180 521.5686 123.7374 153.4759 217.9328 245.8111 585.2050 1088.8889 385.3535 212.1212 415.5080 170.8754 551.5152 447.9501 324.4207 717.6768 167.2014 291.9786 159.7148 334.4029 761.2795 362.9630 401.7825 915.3176 323.1729 1331.6498 269.1090 334.6801 8550.5000 8511.6706 6633.5294 11219.8333 5911.4588 4186 5114.4882 6321 17109.8529 10158.5853 843.8889 4255.5037 14597.9167 4738.8971 10992.8194 6729.5118 16957.7471 6783.0206 3768.0176 6312.0647 73.5000 5011.4167 2759.9765 8036 9847.7556 7125.3000 2597.2471 2213.3060 6378.4583 2285.7059 9688.9333 3269.3836