Data for ST001888
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-Hydroxy-2-decenoic acid | 318040.25 | 314275.38 | 311225.25 | 309183.12 | 296179.25 | 306945.50 | 322606.25 | 303518.88 | 322597.12 | 307642.00 | 331098.12 | 299421.38 | 291525.50 | 303017.75 | 329141.62 | 313679.29 | 310298.12 | 302300.62 | 374199.62 | 309700.88 | 304219.88 | |
| 13-Keto-9Z,11E-octadecadienoic acid | 297204.88 | 247107.38 | 272887.12 | 268200.75 | 283230.12 | 250675.62 | 292784.50 | 245923.25 | 248048.75 | 241267.75 | 217915.88 | 250098.25 | 268237.50 | 223454.62 | 346324.75 | 276019.86 | 241632.88 | 271540.12 | 364439.06 | 271737.00 | 227632.25 | |
| 1,5-Hexadien-3-ol | 717015.25 | 664760.00 | 711963.25 | 639337.88 | 748529.88 | 640713.12 | 705354.00 | 668231.12 | 723297.00 | 661130.75 | 737383.00 | 667978.50 | 733135.75 | 639406.88 | 685044.75 | 619410.14 | 716082.00 | 722763.00 | 826786.62 | 707493.00 | 678335.88 | |
| 1,5-Pentanediamine | 781044.75 | 1033002.62 | 953808.25 | 1137316.62 | 1126941.25 | 1124785.50 | 888355.25 | 905906.25 | 1458555.38 | 1530947.88 | 941028.12 | 1042625.00 | 1638091.75 | 1448220.25 | 981770.50 | 979145.71 | 1343519.50 | 1352097.00 | 865925.06 | 1322479.25 | 1215494.12 | |
| 1-Cycloheptyl-4-piperidinamine | 95744.38 | 26997.88 | 89560.88 | 36264.50 | 70649.38 | 38762.75 | 67737.12 | 53328.62 | 45013.88 | 34449.00 | 62818.25 | 35297.50 | 53898.75 | 26743.12 | 91893.12 | 41669.57 | 51767.12 | 25029.88 | 544689.62 | 64644.62 | 27264.38 | |
| 1-Methylnicotinamide | 1105767.25 | 940341.75 | 2015510.88 | 513085.62 | 1094443.25 | 826872.62 | 1743936.75 | 1552315.25 | 989184.88 | 773776.62 | 529227.88 | 518595.12 | 488633.50 | 453713.12 | 1410122.12 | 1007763.57 | 425742.12 | 432808.25 | 766950.94 | 562202.00 | 544982.12 | |
| 2,5-Hexanedione | 1806876.25 | 2086114.12 | 1880290.88 | 2050663.25 | 1974487.25 | 1993565.75 | 1936696.75 | 2004402.12 | 1889285.75 | 2024896.75 | 1959334.25 | 1921629.12 | 1789385.62 | 2027187.88 | 1930755.50 | 2049156.71 | 1855196.88 | 1943971.62 | 1999889.38 | 1881882.50 | 1961103.00 | |
| 2,6-Diaminopimelic acid | 227986.88 | 459565.50 | 216729.88 | 263298.38 | 250842.25 | 258819.88 | 151922.75 | 190737.75 | 192534.38 | 431335.50 | 1011501.12 | 1153272.38 | 358874.75 | 430581.12 | 185190.75 | 292416.43 | 743324.50 | 888988.00 | 210808.50 | 320466.75 | 738121.38 | |
| 2-Acetylpyrazine | 59520.25 | 82969.62 | 53280.12 | 75117.12 | 63158.50 | 50921.75 | 58957.62 | 59158.25 | 68924.75 | 58456.00 | 61261.62 | 58393.50 | 66243.12 | 60194.12 | 52171.88 | 59009.43 | 56622.12 | 731656.38 | 61882.88 | 66033.75 | 72926.62 | |
| 2-Amino-1-phenylethanol | 2029299.38 | 2125025.50 | 2602872.00 | 2745725.25 | 2583738.25 | 2518884.00 | 2051609.12 | 1817897.00 | 3321242.75 | 3108478.50 | 2389649.75 | 2407080.50 | 3287646.38 | 3300589.88 | 2023499.25 | 2076078.00 | 3266205.12 | 3083516.88 | 1789706.56 | 3325268.62 | 2520930.12 | |
| 2-Aminoethanethiol | 181037.12 | 191413.62 | 187721.75 | 189224.25 | 181602.00 | 182547.00 | 182600.62 | 166190.12 | 183953.25 | 187161.38 | 188795.00 | 182456.75 | 182424.12 | 176891.75 | 179338.00 | 194336.00 | 169254.62 | 157820.50 | 233608.31 | 187278.25 | 184422.50 | |
| 2-Arachidonoylglycerol | 32366.25 | 45549.75 | 33408.00 | 12834.88 | 44905.88 | 18044.38 | 34609.00 | 8716.50 | 49464.38 | 22766.62 | 30812.38 | 11575.62 | 32078.88 | 12945.62 | 38646.50 | 9084.14 | 32611.25 | 10957.62 | 2428.31 | 40408.12 | 17864.88 | |
| 2-Benzothiazolesulfonic acid | 118974.00 | 123070.12 | 109214.62 | 81977.12 | 172240.12 | 90830.50 | 147338.50 | 98441.75 | 90767.75 | 73935.88 | 112914.75 | 78943.62 | 72125.88 | 78127.25 | 73984.38 | 146537.71 | 89807.75 | 79131.88 | 877250.94 | 84095.75 | 75508.88 | |
| 2’-deoxyadenosine | 1013.38 | 994.88 | 1028.25 | 1035.38 | 987.88 | 1000.12 | 1002.25 | 997.75 | 1070.00 | 1067.88 | 1055.00 | 1065.75 | 1071.25 | 1056.25 | 1033.75 | 1040.00 | 1024.75 | 1053.62 | 1034.62 | 1039.25 | 1014.00 | |
| 2^-Deoxycytidine | 81038.62 | 74347.50 | 96234.12 | 63075.88 | 119046.50 | 111527.25 | 103126.50 | 96161.62 | 40144.62 | 14586.12 | 43787.25 | 21810.00 | 85035.00 | 54726.62 | 258363.38 | 274582.71 | 24252.88 | 25841.75 | 165715.12 | 56769.75 | 25006.00 | |
| 2-Methoxy-4-vinylphenol | 187944.25 | 26467.12 | 148155.75 | 18641.75 | 232143.62 | 32915.50 | 87957.12 | 26168.38 | 133552.50 | 34605.12 | 71129.50 | 23056.75 | 181493.50 | 37842.88 | 176713.12 | 28348.86 | 60300.38 | 29329.12 | 24157.25 | 115354.25 | 28217.00 | |
| 2^-O-Methylguanosine | 100717.50 | 87410.38 | 79680.12 | 69265.00 | 91919.50 | 67290.25 | 109352.50 | 83759.12 | 94943.75 | 72757.00 | 85364.38 | 54166.75 | 97700.88 | 71841.25 | 110196.62 | 80740.00 | 81905.00 | 68685.50 | 80944.94 | 86845.88 | 77084.50 | |
| 2-Pyridone | 54029.88 | 186255.12 | 50407.50 | 226779.38 | 53685.75 | 216337.50 | 55510.88 | 200554.62 | 52103.12 | 190883.25 | 49643.12 | 185551.12 | 50017.25 | 212563.00 | 53942.38 | 269227.71 | 50359.75 | 164668.12 | 105394.06 | 50099.12 | 195436.00 | |
| (2R)-3-Hydroxyisovaleroylcarnitine | 1220062.12 | 882472.88 | 1092077.38 | 1383144.25 | 924928.25 | 1081120.62 | 919902.00 | 863443.38 | 1041108.50 | 670206.00 | 1502195.62 | 1141970.25 | 947924.62 | 998203.12 | 534434.50 | 646033.43 | 840052.75 | 1177621.75 | 987721.31 | 1075917.38 | 796877.75 | |
| 2S-Amino-4E-octadecene-1,3S-diol | 450905.38 | 720989.38 | 460947.12 | 696157.75 | 398291.12 | 686621.12 | 474406.12 | 767554.62 | 481255.75 | 877764.75 | 217837.00 | 675836.00 | 510423.88 | 882080.62 | 298493.50 | 346445.43 | 421071.00 | 1103612.62 | 1687920.31 | 538177.50 | 1067050.00 | |
| 3alpha-Galactobiose | 197663.12 | 259803.88 | 155468.50 | 214694.12 | 159176.88 | 253858.12 | 170281.38 | 405678.38 | 151468.75 | 185262.50 | 193801.88 | 246179.00 | 137900.25 | 219678.75 | 637054.88 | 336696.14 | 154363.75 | 219490.38 | 178088.12 | 190455.62 | 233544.25 | |
| 3^-alpha-Sialyl-N-acetyllactosamine | 528920.50 | 748716.38 | 59002.38 | 125704.62 | 572287.62 | 728198.25 | 541016.50 | 613395.12 | 379407.12 | 546861.00 | 2181.12 | 44361.75 | 112322.38 | 180994.00 | 448682.12 | 726647.29 | 3378.38 | 54474.12 | 476085.12 | 115337.00 | 358555.62 | |
| (3-Carboxypropyl)trimethylammonium cation | 3781419.12 | 4904822.12 | 2198323.00 | 3001779.88 | 3516169.25 | 4316373.62 | 3027405.38 | 4091379.38 | 1675460.00 | 2065148.00 | 1315668.75 | 1479890.38 | 1249239.00 | 1354157.25 | 2157086.25 | 3307826.57 | 987149.62 | 1121405.75 | 2713543.31 | 2174917.88 | 2674980.75 | |
| 3-Dehydrocarnitine | 87764.38 | 87311.12 | 120569.75 | 128850.62 | 85526.75 | 82807.50 | 85998.62 | 92818.62 | 95760.25 | 100099.00 | 108439.50 | 106201.50 | 96252.00 | 99156.75 | 89833.25 | 108208.29 | 100144.62 | 103178.50 | 108521.31 | 89936.38 | 95956.38 | |
| 3-Hydroxybutyrylcarnitine | 1364904.38 | 1498717.62 | 1266064.75 | 1408674.50 | 1096897.00 | 856268.12 | 1260930.62 | 1070136.00 | 1289073.00 | 1463473.38 | 1608020.88 | 1325083.25 | 1530374.75 | 1458867.12 | 764341.62 | 652419.86 | 1304347.62 | 1095143.75 | 1039835.81 | 1175888.38 | 1308911.12 | |
| 3-Methoxytyramine | 986048.25 | 1259328.88 | 100.00 | 442.00 | 21810.00 | 14966.25 | 541.25 | 755.25 | 18014.50 | 24558.50 | 3768.00 | 1965.00 | 7551.75 | 4236.50 | 25927.38 | 49339.71 | 3506.00 | 4068.62 | 214168.56 | 69115.25 | 40317.75 | |
| 3-Methylcrotonylglycine | 742515.75 | 555107.25 | 369378.12 | 378665.88 | 963594.25 | 581128.75 | 446680.12 | 385556.00 | 917171.12 | 566884.25 | 325429.25 | 316441.50 | 769121.00 | 749186.25 | 967863.38 | 1574943.86 | 295268.62 | 359846.62 | 260557.00 | 647989.75 | 574276.12 | |
| 3-Methylcytidine | 172882.50 | 171308.38 | 106356.25 | 88616.25 | 112335.25 | 104040.12 | 141066.50 | 126496.25 | 126720.25 | 128090.38 | 106056.38 | 90494.88 | 165074.12 | 182888.50 | 170113.38 | 165594.29 | 105533.25 | 109306.12 | 137898.56 | 164483.12 | 152573.50 | |
| 3-Methylhistidine | 650049.50 | 1082727.88 | 669319.38 | 975389.12 | 702404.88 | 926336.38 | 667629.38 | 922281.50 | 666631.88 | 914765.62 | 567731.38 | 847179.12 | 565209.75 | 742175.00 | 709519.38 | 1115086.14 | 486801.88 | 726402.62 | 526076.19 | 573960.12 | 878890.75 | |
| 3^-O-Methylguanosine | 62710.25 | 71923.75 | 74901.62 | 79360.38 | 72959.12 | 75410.00 | 59364.12 | 60593.62 | 76308.25 | 89922.75 | 58882.00 | 55872.00 | 83355.50 | 88022.62 | 99176.50 | 88447.00 | 70731.12 | 83629.25 | 78827.12 | 100935.88 | 119551.38 | |
| 4-Acetylbutyric acid | 188508.38 | 219422.00 | 202931.12 | 206406.25 | 195141.12 | 202007.75 | 234052.25 | 215816.50 | 249463.88 | 220550.62 | 285440.25 | 228125.00 | 179088.88 | 222567.00 | 198239.88 | 202146.00 | 285037.62 | 228089.12 | 413495.31 | 249286.00 | 213458.12 | |
| 4-Aminobenzoic acid | 1551605.12 | 1304672.25 | 2031450.50 | 1873235.12 | 945932.75 | 855351.00 | 1011320.25 | 953122.00 | 1796877.75 | 1608102.00 | 1922387.38 | 1687323.75 | 1168409.12 | 1017275.50 | 645224.38 | 580157.71 | 1355187.88 | 1249495.25 | 2691173.75 | 1383246.25 | 1309027.12 | |
| 4-Guanidinobutyric acid | 1870868.62 | 2654296.12 | 2277511.62 | 3368715.38 | 1378223.62 | 1897718.50 | 1473833.88 | 2006022.50 | 1883200.00 | 2793316.75 | 2415983.75 | 2921430.88 | 1940990.88 | 2734888.12 | 1505622.12 | 2332215.57 | 2197615.75 | 2483440.12 | 3741329.62 | 2309309.62 | 3063930.50 | |
| 4-Hydroperoxy-2-nonenal | 4467578.12 | 4486443.50 | 4015945.75 | 4286916.38 | 4309112.62 | 4609242.50 | 3626108.00 | 5383064.75 | 4106926.62 | 4608623.12 | 3108247.50 | 3099437.62 | 4406373.12 | 4621352.38 | 4669381.88 | 4996671.00 | 3652686.25 | 3378561.50 | 2323421.25 | 4063707.38 | 4120871.12 | |
| 4-Hydroxyhexenal | 4659368.75 | 4737404.62 | 4521671.12 | 4410978.25 | 4824311.38 | 4561807.62 | 4585970.75 | 4648674.50 | 4410871.12 | 4386654.62 | 4396819.25 | 4547084.88 | 4333475.50 | 4537880.25 | 4653726.50 | 4680546.43 | 4405492.25 | 4435486.12 | 5074177.81 | 4376522.88 | 4642895.00 | |
| 4-Hydroxymandelonitrile | 769797.88 | 720975.62 | 20693.25 | 25265.12 | 23028.00 | 21999.50 | 18387.00 | 9614.12 | 27399.38 | 30808.12 | 20665.25 | 22392.25 | 25172.38 | 16219.88 | 39881.75 | 44891.86 | 14340.88 | 17388.75 | 17520.94 | 24666.88 | 19927.50 | |
| 4-Hydroxynonenal alkyne | 631492.00 | 529406.25 | 551093.00 | 613451.88 | 704794.62 | 574811.88 | 496845.50 | 692046.12 | 598619.12 | 579253.88 | 548234.38 | 571560.12 | 610000.12 | 559851.62 | 632936.62 | 592171.86 | 573508.75 | 601236.38 | 613989.50 | 539349.25 | 554202.00 | |
| 4-Imidazoleacrylic acid | 3757494.50 | 3983009.75 | 3397948.75 | 3623886.88 | 2402775.25 | 2964801.00 | 3841162.00 | 3805185.62 | 1937413.75 | 2905632.38 | 3556421.88 | 8353230.62 | 2842250.50 | 2653318.00 | 2878007.00 | 5200989.86 | 2932243.88 | 12407013.50 | 1697900.81 | 2776104.62 | 3713795.38 | |
| 4-Imidazoleacrylic acid isomer | 1424422.38 | 1235909.38 | 1365753.38 | 1238118.38 | 1078687.25 | 1073177.38 | 1625805.12 | 1198644.88 | 1043166.88 | 1110736.75 | 1664121.38 | 2225263.50 | 1527973.38 | 1260372.00 | 1187938.25 | 2504407.14 | 1448728.62 | 3369046.50 | 1131551.12 | 1491654.50 | 1270462.00 | |
| 5alpha-Cholest-7-en-3beta-ol | 79924.00 | 147310.50 | 84633.75 | 171660.38 | 63663.62 | 95769.62 | 53569.75 | 162187.25 | 79372.75 | 138781.00 | 334914.25 | 309021.75 | 79369.12 | 183235.00 | 37181.75 | 90414.00 | 157126.38 | 280747.62 | 3895216.25 | 147923.12 | 194122.88 | |
| 5beta-Androstane-3alpha,17beta-diol | 1831134.00 | 1345851.62 | 1452298.62 | 1263870.12 | 1276585.62 | 983902.62 | 1577188.75 | 1305414.50 | 1126204.75 | 1272496.38 | 1080985.75 | 1014335.38 | 904257.50 | 956646.38 | 1134544.12 | 855735.71 | 1139602.50 | 1132697.12 | 591048.44 | 1732141.75 | 906427.50 | |
| 5.beta.-Dihydrotestosterone | 273976.88 | 207701.00 | 194751.38 | 260058.25 | 242540.50 | 233501.25 | 251892.25 | 239041.62 | 200191.25 | 227793.50 | 178459.75 | 313532.38 | 239666.75 | 280988.50 | 298480.38 | 261889.57 | 189281.12 | 225329.88 | 246119.62 | 213775.25 | 315029.25 | |
| 5-Methoxytryptophol | 154761.00 | 172840.62 | 158061.50 | 160276.25 | 169936.38 | 175420.50 | 149500.62 | 161394.75 | 166020.75 | 167247.12 | 158028.50 | 172686.25 | 174005.25 | 166904.00 | 173584.50 | 157200.57 | 166148.62 | 174363.00 | 170923.31 | 173917.00 | 165163.75 | |
| 5^-Methylthioadenosine | 6227608.25 | 9254807.38 | 8060482.00 | 11205946.75 | 7842011.62 | 8084069.12 | 7282734.88 | 9612760.12 | 6514490.88 | 9787221.50 | 9823367.12 | 11437582.75 | 8576020.38 | 12016816.50 | 11120725.00 | 16319097.57 | 8106123.00 | 9768540.50 | 12260684.38 | 8266624.00 | 11906048.38 | |
| 5^-Methylthioadenosine isomer | 1533060.00 | 2273270.25 | 2100704.38 | 3190278.50 | 1730510.62 | 1898600.88 | 1639328.75 | 2291396.88 | 1475372.62 | 2310277.38 | 2322096.38 | 2564373.00 | 1783252.75 | 2526739.38 | 2741428.38 | 4919869.29 | 1476069.00 | 2071909.00 | 3381783.75 | 1633103.88 | 2757160.62 | |
| 9(10)-Epoxy-12Z-octadecenoic acid | 369935.12 | 448593.00 | 261924.88 | 474823.75 | 306102.62 | 379668.62 | 253988.25 | 372819.12 | 343140.50 | 420473.75 | 432454.00 | 422371.00 | 190214.38 | 516635.25 | 211071.62 | 452566.71 | 351054.25 | 445429.00 | 284240.44 | 362443.75 | 403202.25 | |
| 9-Oxo-10E,12Z-octadecadienoic acid | 7403.12 | 2769.88 | 12433.62 | 3915.88 | 3190.88 | 3910.12 | 3812.50 | 4555.75 | 2901.62 | 2534.12 | 2256.25 | 2661.88 | 4161.88 | 2993.62 | 4909.25 | 2852.14 | 4777.62 | 87883.00 | 8706.12 | 2588.12 | 4201.62 | |
| Abietic acid | 3177.12 | 1522.38 | 3315.88 | 4564.38 | 3442.00 | 3702.50 | 3053.25 | 3477.75 | 5263.88 | 3304.38 | 3711.88 | 3686.00 | 2693.50 | 4114.88 | 2598.50 | 2639.71 | 4266.12 | 2446.00 | 2285.88 | 2617.75 | 5426.12 | |
| Acetyl-choline | 6593432.12 | 8396639.12 | 1636603.75 | 1052789.12 | 5590164.25 | 5456696.62 | 7539515.50 | 6280562.25 | 4638496.50 | 4651474.38 | 4259157.38 | 3088828.38 | 4154963.38 | 3581481.75 | 4427454.00 | 5835341.00 | 2758643.62 | 3457356.00 | 5549677.88 | 4839485.62 | 7903045.62 | |
| Adenosine | 11514885.88 | 16895403.38 | 4604368.75 | 86955.38 | 3345614.12 | 130214.38 | 899126.12 | 163763.62 | 148292.25 | 115798.12 | 1344734.50 | 694710.38 | 260673.25 | 54010.00 | 2592724.00 | 1014149.71 | 271402.75 | 258156.25 | 9134853.38 | 160746.88 | 131061.88 | |
| Adenosine isomer | 2430496.12 | 2742260.25 | 826638.00 | 17460.50 | 696400.50 | 24720.62 | 185669.88 | 26201.50 | 28650.12 | 19859.12 | 236784.12 | 128347.75 | 49411.38 | 10007.12 | 576789.25 | 138502.14 | 39950.38 | 45040.62 | 1597448.38 | 27285.00 | 20777.50 | |
| Adenosine monophosphate | 438740.50 | 354952.38 | 566118.88 | 799089.38 | 442964.62 | 323389.50 | 661402.50 | 689285.12 | 218087.12 | 308466.00 | 660304.62 | 625494.50 | 183565.00 | 190769.25 | 207636.75 | 300888.43 | 155742.12 | 255003.38 | 838624.25 | 155318.62 | 339409.50 | |
| Ala-Gln | 142928.88 | 201128.88 | 170275.50 | 291237.12 | 143602.12 | 163007.62 | 128590.38 | 152660.12 | 108135.62 | 168520.75 | 206965.62 | 246092.25 | 120516.00 | 157260.75 | 1134244.38 | 2595970.14 | 128529.88 | 158556.75 | 371942.38 | 92705.12 | 149930.00 | |
| Ala-Ile | 10884.50 | 81476.62 | 40688.00 | 51574.50 | 23091.38 | 65747.38 | 7699.12 | 41693.00 | 29235.88 | 63096.38 | 69758.00 | 82748.25 | 27432.38 | 42955.38 | 12539.75 | 36643.57 | 35516.88 | 68890.50 | 14218.06 | 22064.88 | 45507.12 | |
| Alanine | 9214053.62 | 10361604.12 | 10401432.50 | 11336992.88 | 9274090.00 | 10835975.50 | 9877181.25 | 10728774.25 | 8460948.50 | 9631819.25 | 10351574.75 | 10716741.75 | 9582184.75 | 10063103.88 | 8568450.00 | 11181349.57 | 9388966.50 | 10554189.00 | 10066873.31 | 9152030.38 | 10064094.25 | |
| Ala-Ser | 23949.88 | 87388.25 | 30025.12 | 151738.25 | 30395.38 | 83701.12 | 15677.12 | 62197.75 | 43545.50 | 101922.12 | 71768.25 | 122322.62 | 52362.50 | 103579.00 | 17638.00 | 79552.43 | 62983.12 | 100504.75 | 9520.38 | 42893.62 | 79252.62 | |
| alpha-Galactosamine-1-phosphate | 88830.50 | 148789.12 | 119530.38 | 192245.50 | 155550.62 | 242630.88 | 116351.00 | 177541.00 | 108805.88 | 158443.75 | 75283.62 | 108524.50 | 125941.88 | 156400.62 | 138571.50 | 345999.71 | 75438.75 | 139168.75 | 119196.56 | 99528.38 | 126764.88 | |
| alpha-Lonone or beta-Damascone | 984785.25 | 694002.50 | 1349396.88 | 836528.00 | 865809.25 | 810687.00 | 1416890.12 | 980583.12 | 1013528.25 | 806055.25 | 1170577.12 | 756122.38 | 998975.50 | 837556.62 | 1104939.38 | 849893.29 | 1206782.00 | 1060541.88 | 799322.06 | 1033482.12 | 636845.38 | |
| Aminophenol | 148008.12 | 114767.88 | 209610.00 | 135583.62 | 159254.12 | 151186.88 | 165879.88 | 148982.38 | 239914.00 | 136114.12 | 136629.38 | 118664.50 | 154215.88 | 146419.88 | 180503.62 | 134985.86 | 157942.12 | 123534.00 | 138471.69 | 182585.88 | 120133.88 | |
| Androstane-3,17-diol | 44980.75 | 49366.62 | 38072.75 | 40853.75 | 46199.12 | 42470.00 | 48016.00 | 38407.88 | 42669.00 | 33365.75 | 39680.88 | 41299.75 | 47334.00 | 40796.88 | 54231.75 | 49396.00 | 46814.12 | 40570.50 | 80887.56 | 37337.12 | 39964.88 | |
| Arg-Ala | 128959.62 | 338883.25 | 169994.62 | 691581.62 | 169260.38 | 362350.38 | 113729.50 | 195355.00 | 169399.38 | 424533.50 | 362292.50 | 933842.50 | 225297.75 | 518260.38 | 156423.50 | 255037.00 | 355100.75 | 706428.12 | 118218.88 | 201805.75 | 416276.12 | |
| Arg-Asp | 16487.88 | 37789.12 | 35479.88 | 84935.88 | 39558.62 | 56695.12 | 26993.50 | 53238.12 | 41638.12 | 114668.62 | 49496.00 | 139730.25 | 66770.88 | 134149.25 | 32807.50 | 68913.14 | 99787.25 | 163197.62 | 11767.00 | 45329.25 | 101644.88 | |
| Arg-Glu | 2092.25 | 2283.88 | 3973.25 | 2217.50 | 13764.25 | 10094.62 | 74333.25 | 4277.38 | 555.50 | 1463.88 | 720.00 | 26008.88 | 50490.50 | 13314.25 | 5842.12 | 15479.71 | 3814.62 | 1660.62 | 1912.06 | 6037.12 | 22824.88 | |
| Arginine isomer | 401406.25 | 432598.00 | 567755.62 | 477179.00 | 378017.50 | 432516.75 | 392782.25 | 445878.00 | 587354.50 | 621269.12 | 610854.12 | 701805.12 | 702479.38 | 652274.50 | 306502.50 | 320028.43 | 702117.75 | 731668.62 | 199040.75 | 678964.38 | 694715.88 | |
| Argininosuccinic acid | 229890.50 | 188377.00 | 396844.75 | 294968.00 | 286497.75 | 234894.62 | 208895.62 | 204821.38 | 427970.12 | 241633.00 | 463989.75 | 272791.88 | 488575.12 | 358333.75 | 221156.38 | 195313.00 | 428219.75 | 317488.00 | 127103.00 | 486354.00 | 339248.50 | |
| Arg-Thr | 1008.75 | 8307.38 | 2989.00 | 27603.25 | 2394.50 | 12878.62 | 877.62 | 7337.12 | 5766.38 | 21163.88 | 11708.62 | 46995.62 | 14173.62 | 29280.88 | 1806.38 | 12070.86 | 14442.75 | 36668.25 | 123.06 | 6770.12 | 19906.12 | |
| Arg-Val | 14998.75 | 26466.00 | 7899.88 | 17446.00 | 12420.88 | 42503.38 | 10470.88 | 21365.12 | 14372.12 | 24533.75 | 6182.62 | 26626.75 | 12065.75 | 20493.75 | 13138.12 | 26739.71 | 7308.75 | 27028.50 | 6153.06 | 5494.50 | 17607.62 | |
| Asn-Arg | 675.00 | 864.50 | 3380.38 | 23177.38 | 1571.00 | 2874.38 | 1397.88 | 3028.25 | 7749.38 | 8363.12 | 3795.75 | 10930.62 | 11326.00 | 7502.00 | 1529.25 | 3484.43 | 6948.25 | 9181.75 | 100.00 | 4351.75 | 3492.38 | |
| Asparagine | 1346019.62 | 1574170.62 | 1276051.50 | 1131346.62 | 1448187.12 | 1543687.25 | 1148693.75 | 1412885.00 | 1668031.75 | 1508201.88 | 1710888.38 | 1725221.00 | 1729824.25 | 1504842.75 | 1375248.62 | 6567711.00 | 1684537.88 | 1690982.12 | 1177947.00 | 1518357.62 | 1351731.50 | |
| Benzyl alcohol | 669568.62 | 667157.50 | 636983.50 | 632303.00 | 649344.62 | 635814.25 | 656842.75 | 717346.38 | 615054.38 | 594480.75 | 625100.50 | 636926.25 | 558221.38 | 639137.75 | 670040.25 | 674665.71 | 638901.88 | 611492.88 | 783838.00 | 623967.75 | 619238.25 | |
| Betaine | 9671617.75 | 20165474.50 | 15203729.75 | 15447726.88 | 6651573.12 | 10733118.50 | 12460076.12 | 17448960.62 | 6730933.25 | 13683552.50 | 11421390.38 | 9291164.12 | 12880789.62 | 12441537.25 | 11786344.50 | 5550703.00 | 3679549.12 | 15951350.62 | 7402775.00 | 9842580.88 | 15990855.75 | |
| beta-Nicotinamide adenine dinucleotide | 76516.50 | 121427.38 | 38220.62 | 19178.62 | 97075.38 | 83538.50 | 12885.75 | 4898.62 | 16891.38 | 9926.88 | 13137.25 | 7746.50 | 20573.75 | 7292.75 | 64326.62 | 42258.43 | 9647.75 | 6923.50 | 74737.81 | 18330.00 | 24407.25 | |
| Butyrylcarnitine or Isobutyrylcarnitine | 843779.25 | 897037.38 | 441786.25 | 487199.88 | 329310.75 | 354290.50 | 382420.88 | 376742.50 | 404226.62 | 617460.50 | 305575.88 | 341142.75 | 314086.00 | 273459.25 | 200540.00 | 300398.29 | 290068.75 | 292905.00 | 756255.00 | 328907.88 | 460248.62 | |
| Carnitine | 69208755.12 | 72009907.75 | 95693347.38 | 121326803.75 | 49851815.75 | 55238473.50 | 53606868.50 | 61448856.75 | 78934858.38 | 82239007.12 | 83309094.25 | 92331797.75 | 66086367.75 | 74152348.25 | 52822682.62 | 75498546.14 | 66737698.62 | 77011785.38 | 52577798.38 | 64394363.62 | 78671045.38 | |
| Carnosine | 11052301.62 | 11678221.00 | 8319736.00 | 8078025.12 | 8483014.88 | 7983116.38 | 6595730.00 | 7078168.88 | 7021064.50 | 7085510.12 | 11853014.75 | 10991554.50 | 8586678.62 | 8087339.00 | 72199660.88 | 92459401.57 | 9427974.62 | 8813076.38 | 17608173.81 | 8731251.88 | 9156929.25 | |
| Carnosine isomer B | 161278.25 | 101708.62 | 202669.25 | 89274.62 | 186049.38 | 107537.25 | 115728.88 | 51351.38 | 199875.38 | 150817.38 | 420327.25 | 274906.25 | 460416.88 | 201718.00 | 103598.50 | 47187.43 | 538302.12 | 221836.00 | 91896.88 | 455012.00 | 187428.50 | |
| Choline | 1235563992.62 | 1494962674.25 | 1202752084.12 | 1310047970.88 | 1138650062.50 | 1439558168.88 | 1118772968.12 | 1392637183.75 | 1697196229.25 | 1662312481.38 | 1302577992.00 | 1427211150.38 | 1617005793.75 | 1753436051.75 | 1501796704.75 | 1982539612.29 | 1139067208.75 | 1343344859.75 | 1288893412.56 | 1410696261.50 | 1525599605.50 | |
| Citrulline | 6090356.75 | 8616724.75 | 11916516.00 | 10724074.75 | 5981761.75 | 8425741.88 | 4901277.12 | 4906602.62 | 3851481.62 | 4403562.00 | 7297863.12 | 13495174.62 | 7346115.75 | 6009519.38 | 7600276.75 | 10994058.71 | 9426977.50 | 13584299.12 | 7436293.44 | 6845777.25 | 5283983.12 | |
| Creatine | 85082270.50 | 95409018.88 | 112557324.00 | 122664384.12 | 88134952.12 | 94762008.75 | 87742561.75 | 95586450.62 | 77969946.50 | 85878725.25 | 99287051.12 | 100649589.38 | 88562485.38 | 88977869.50 | 77276305.50 | 97633619.71 | 85996511.50 | 94284160.38 | 92779941.81 | 81947107.50 | 92981185.88 | |
| Creatine isomer | 68859.50 | 56646.62 | 213211.12 | 318058.75 | 70177.38 | 250368.38 | 79545.25 | 77218.38 | 45878.62 | 48952.88 | 169438.25 | 145180.38 | 91244.88 | 98542.88 | 64831.12 | 98647.71 | 86498.50 | 111981.00 | 99957.50 | 76371.12 | 88874.00 | |
| Cyclohexanamine | 602990.00 | 487084.12 | 554811.38 | 397906.62 | 589680.75 | 497821.12 | 644911.88 | 573224.00 | 655127.88 | 516873.12 | 440985.38 | 423997.62 | 549816.50 | 460670.88 | 619009.62 | 502315.86 | 455418.88 | 467455.88 | 1103092.50 | 483616.50 | 456126.00 | |
| Cys-Asn | 239184.00 | 261336.38 | 227406.50 | 242192.12 | 258595.38 | 287976.88 | 257575.12 | 247360.62 | 232504.00 | 314067.00 | 235708.62 | 246025.50 | 234912.12 | 272000.12 | 220984.12 | 242483.43 | 247728.62 | 222944.75 | 227000.75 | 233500.62 | 251184.12 | |
| Cys-Pro | 154957.50 | 68621.00 | 64792.25 | 17064.62 | 258915.12 | 38486.25 | 145855.50 | 14969.50 | 53819.75 | 35828.38 | 56949.88 | 19486.88 | 50365.50 | 9835.00 | 69703.00 | 7757.29 | 43864.88 | 21323.75 | 111.81 | 58807.38 | 30541.00 | |
| Cysteine-glutathione disulfide | 1451280.12 | 1564555.00 | 1576636.88 | 1565432.38 | 1154103.50 | 1240515.88 | 1052784.25 | 1172356.12 | 1030214.50 | 1399884.88 | 1029303.38 | 1104259.12 | 668212.88 | 963170.00 | 1361609.50 | 1296636.00 | 699559.62 | 872151.88 | 405618.12 | 842977.62 | 1366222.38 | |
| Cytidine 5^-diphosphate ethanolamine | 440237.38 | 498538.88 | 307970.25 | 305772.00 | 418993.12 | 427696.88 | 392715.88 | 377717.75 | 342392.12 | 363865.50 | 335547.12 | 309177.88 | 256159.50 | 282622.62 | 241942.50 | 303885.57 | 280602.75 | 286143.75 | 418381.44 | 326591.00 | 383522.50 | |
| Cytidine 5^-diphosphocholine | 471147.50 | 436949.25 | 517132.38 | 507880.38 | 488455.25 | 460743.12 | 361986.38 | 352283.12 | 408202.75 | 370860.25 | 483795.62 | 436450.62 | 331013.00 | 344372.62 | 436728.75 | 569643.29 | 339847.62 | 330452.62 | 498409.62 | 358472.00 | 412983.25 | |
| Cytidine-5^-monophosphate | 59171.62 | 82502.50 | 121970.38 | 171269.38 | 59673.50 | 85066.88 | 74462.25 | 121541.25 | 58734.75 | 93975.25 | 79229.88 | 116109.38 | 62302.12 | 92143.75 | 104027.50 | 155689.43 | 48932.75 | 62555.75 | 63045.81 | 40336.25 | 89464.00 | |
| Dexpanthenol | 142133.12 | 201913.38 | 207792.75 | 204727.00 | 185039.25 | 182777.12 | 344349.75 | 183011.62 | 115461.88 | 128952.25 | 261847.50 | 250996.88 | 342782.12 | 128088.38 | 182004.38 | 209755.29 | 428974.62 | 213500.50 | 93572.50 | 299255.12 | 193216.00 | |
| Diethanolamine | 270319.38 | 363131.25 | 274334.62 | 329582.00 | 260625.75 | 494370.25 | 368771.38 | 447360.00 | 340964.38 | 457211.62 | 228574.62 | 376633.50 | 470398.12 | 403020.88 | 331616.12 | 350951.43 | 271037.00 | 537988.12 | 274634.25 | 267115.12 | 414186.00 | |
| DMSO | 749620.50 | 15669198.88 | 597246.38 | 18306266.00 | 714152.38 | 22096108.38 | 791737.38 | 16475960.75 | 889329.75 | 15192297.50 | 667837.00 | 15773730.88 | 674497.50 | 16266646.75 | 783431.50 | 27043053.29 | 767138.62 | 15314403.00 | 238313499.25 | 661692.38 | 15285750.25 | |
| Dopamine | 100.00 | 32391.88 | 100.00 | 409.00 | 100.00 | 444.88 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 470.75 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | |
| Epigallocatechin | 135213.12 | 176356.25 | 109883.38 | 202458.62 | 96055.00 | 173856.25 | 115881.62 | 193395.00 | 68390.62 | 112550.12 | 73000.12 | 107072.12 | 61311.12 | 98112.62 | 146996.00 | 203502.14 | 54313.12 | 96496.62 | 184895.06 | 58947.88 | 119641.12 | |
| Ergothioneine | 932757.75 | 1374568.12 | 2589132.62 | 3790565.38 | 888280.50 | 1014208.00 | 624166.50 | 767433.75 | 1017558.62 | 1373990.12 | 1888887.50 | 2023479.88 | 1160600.12 | 1269895.00 | 743897.50 | 1019323.43 | 1155216.38 | 1344072.12 | 120374.44 | 976936.12 | 1371526.25 | |
| Erythro-Sphinganine | 100117.00 | 119733.62 | 94311.00 | 128061.75 | 106127.50 | 148220.50 | 111247.25 | 143477.88 | 111200.38 | 174140.25 | 67919.25 | 119827.62 | 109536.00 | 177741.25 | 97843.75 | 126527.57 | 86496.88 | 179199.88 | 267752.31 | 115681.50 | 181994.00 | |
| Erythro-Sphinganine-1-phosphate | 1116.25 | 1115.88 | 1032.50 | 1146.38 | 1117.75 | 1081.38 | 1136.12 | 1114.50 | 1039.75 | 1051.62 | 1001.75 | 1165.38 | 1043.88 | 1019.38 | 1122.12 | 1101.29 | 1025.50 | 1178.75 | 998.31 | 1008.00 | 1032.00 | |
| Erythro-Sphingosine-1-phosphate | 64051.12 | 46163.75 | 192181.38 | 76637.75 | 30302.00 | 2705.50 | 30542.12 | 10262.00 | 28279.25 | 28186.50 | 274045.38 | 162345.38 | 37340.62 | 19339.12 | 15199.75 | 100.00 | 204484.12 | 92872.50 | 85926.62 | 136140.75 | 76587.62 | |
| Ethyldiethanolamine | 1296775.50 | 1375325.38 | 1127786.00 | 1218076.00 | 1251917.38 | 1571473.88 | 1384235.12 | 1393909.00 | 1153257.88 | 1427412.25 | 1001530.25 | 1229727.00 | 1282737.88 | 1335630.00 | 1439131.12 | 1448843.29 | 1085248.62 | 1340075.12 | 661570.50 | 998911.75 | 1239746.38 | |
| .gamma.-Aminobutyric acid | 4589144.50 | 3994357.50 | 3257641.00 | 3738623.62 | 3688603.88 | 3587270.88 | 2915321.75 | 3149570.00 | 6291209.12 | 5721631.62 | 3055589.12 | 3031057.00 | 5308667.50 | 5647119.75 | 9801441.12 | 12918231.29 | 2728636.75 | 3115270.62 | 4509038.31 | 4492222.25 | 4908307.38 | |
| gamma-Aminobutyric Acid (GABA) | 19636716.00 | 17856757.12 | 14729448.00 | 16783041.62 | 16292095.50 | 15864051.12 | 12850527.38 | 13850705.25 | 28840975.62 | 24720251.12 | 14144342.38 | 13648450.75 | 24655248.12 | 25875433.50 | 43166273.50 | 59452805.86 | 12604714.25 | 14350449.38 | 20944048.00 | 20794878.75 | 21680052.00 | |
| gamma-Glutamylglutamine isomer B | 245588.62 | 215958.75 | 207893.50 | 163134.75 | 339933.50 | 228649.75 | 243483.50 | 152111.62 | 323821.62 | 214220.25 | 262746.62 | 253221.12 | 398927.00 | 192454.25 | 250973.50 | 217911.57 | 264085.00 | 202982.12 | 80475.69 | 261127.50 | 164582.12 | |
| gamma-Glutamylleucine | 512540.62 | 662616.75 | 1233705.12 | 1559386.25 | 401710.38 | 467690.12 | 351738.62 | 455197.38 | 498820.75 | 642137.88 | 741937.38 | 765675.25 | 558769.25 | 655305.00 | 1024960.00 | 2008331.71 | 618934.25 | 625233.25 | 715737.38 | 495959.38 | 631731.88 | |
| Gln-Ala | 211816.00 | 275619.75 | 163780.38 | 181443.62 | 328739.88 | 373448.75 | 221735.12 | 188755.88 | 337737.38 | 301821.75 | 176223.00 | 294892.88 | 355145.38 | 296301.12 | 188004.12 | 252984.71 | 235174.88 | 266070.38 | 84579.25 | 232676.50 | 241899.38 | |
| Gln-Gln | 87209.75 | 90204.62 | 114244.75 | 92034.88 | 119646.12 | 88601.88 | 85306.38 | 59454.50 | 152395.38 | 125511.38 | 113393.88 | 141847.62 | 140704.38 | 96441.25 | 107050.25 | 67651.14 | 157601.12 | 122705.88 | 72068.12 | 119037.00 | 77744.62 | |
| Gln-Gly | 65029.00 | 61687.38 | 55613.75 | 58466.50 | 87609.00 | 73703.38 | 58804.25 | 38530.62 | 129940.62 | 87756.38 | 90984.75 | 137371.50 | 149297.25 | 61556.38 | 38734.38 | 34476.71 | 123032.75 | 110261.00 | 31274.50 | 91978.50 | 66794.50 | |
| Glutamic acid isomer A | 2489131.75 | 3035310.88 | 2856954.50 | 3450303.62 | 3401688.50 | 3485474.00 | 2779482.25 | 3092953.75 | 2081202.50 | 2444939.75 | 2549645.62 | 2529933.12 | 2035298.12 | 2266969.62 | 2126961.00 | 3133037.29 | 2073507.62 | 2170372.62 | 2551760.62 | 2076269.25 | 2798022.00 | |
| Glutamic acid isomer B | 146304.50 | 160153.12 | 164326.75 | 210477.75 | 173946.38 | 166710.75 | 179095.75 | 230039.38 | 107599.75 | 132330.38 | 159431.25 | 151914.25 | 115115.38 | 130851.75 | 113048.38 | 149887.14 | 116968.12 | 126410.50 | 123171.75 | 110865.88 | 141061.38 | |
| Glutamine | 229267051.88 | 220174409.62 | 227660444.38 | 217011043.88 | 217774793.75 | 189227257.62 | 199034762.75 | 180053886.50 | 211885299.25 | 182330979.38 | 202597021.75 | 168007661.62 | 194983381.62 | 161904433.88 | 194806299.12 | 206773413.71 | 179650024.38 | 151252901.00 | 194382106.12 | 195661957.38 | 175582700.25 | |
| Glutamine isomer | 11208762.00 | 9569102.50 | 11336350.62 | 10523772.75 | 10224242.25 | 8205271.50 | 9453803.12 | 7054352.38 | 10947634.38 | 8198642.12 | 9293871.50 | 7326304.75 | 9754417.75 | 7599822.12 | 9114164.00 | 7762142.29 | 8241043.00 | 6723613.38 | 9921797.38 | 10639206.62 | 8717780.12 | |
| Glutathione (oxidized) | 271901.88 | 378734.75 | 216805.38 | 423567.38 | 197492.75 | 368010.12 | 240082.00 | 390350.25 | 123589.25 | 228184.12 | 152388.62 | 216571.38 | 147221.50 | 196227.00 | 298331.50 | 386784.57 | 118204.38 | 203604.75 | 352854.00 | 121897.38 | 244077.88 | |
| Glutathione (reduced) | 978780.38 | 638810.88 | 491364.38 | 238456.12 | 1422067.25 | 524398.25 | 1463771.00 | 384940.62 | 258049.50 | 230621.12 | 443174.62 | 198790.38 | 372466.50 | 214436.75 | 343824.12 | 198018.43 | 314514.38 | 223548.25 | 122481.00 | 274841.75 | 259967.75 | |
| Gly-Arg | 13032.25 | 38649.50 | 18729.62 | 68890.38 | 13744.25 | 36886.00 | 8418.12 | 25836.62 | 25651.62 | 55393.25 | 45024.50 | 123462.12 | 41907.38 | 71278.00 | 15237.00 | 37978.14 | 55930.50 | 103930.75 | 13195.31 | 30437.62 | 60978.25 | |
| Glycerol tricaprylate | 29074.50 | 12960.88 | 21384.12 | 13893.62 | 29579.12 | 79464.00 | 39757.12 | 28748.75 | 32498.00 | 25398.12 | 30378.62 | 29930.12 | 194388.50 | 20176.88 | 40487.62 | 29808.71 | 50200.38 | 21862.88 | 17488.25 | 399547.00 | 19564.38 | |
| Glycerophosphocholine isomer A | 35890912.88 | 42295474.88 | 25436712.38 | 39688701.25 | 21413253.62 | 24831179.12 | 23685104.62 | 26992630.38 | 38755906.38 | 49834734.38 | 20687365.25 | 32314536.62 | 26556233.62 | 36291732.25 | 15248172.25 | 21753164.14 | 17711859.50 | 26648023.12 | 34767453.69 | 18649431.62 | 33987195.75 | |
| Glycerophosphocholine isomer B | 126035.38 | 159804.00 | 141581.00 | 156703.88 | 135039.62 | 159850.25 | 114011.50 | 143222.12 | 127067.12 | 154476.38 | 140027.00 | 156609.00 | 119167.00 | 149495.25 | 90721.12 | 135321.29 | 83482.12 | 125298.38 | 107672.25 | 91057.38 | 148084.00 | |
| Glycine | 4473751.38 | 4424784.50 | 5878637.00 | 5520553.50 | 5204041.50 | 4598505.50 | 4666278.50 | 4190537.62 | 5193890.00 | 5082844.12 | 13479402.50 | 12722005.75 | 6541904.00 | 6015561.62 | 4270992.38 | 4278927.57 | 9187510.38 | 9372988.12 | 4345396.38 | 5379837.62 | 4747651.62 | |
| Gly-Lys | 6488.00 | 20230.62 | 19821.38 | 63076.12 | 10473.12 | 26531.62 | 5707.25 | 14440.25 | 12133.50 | 28756.12 | 18738.25 | 42840.50 | 14051.88 | 34604.88 | 12515.25 | 30428.71 | 17836.12 | 36058.25 | 3803.06 | 8617.00 | 24178.88 | |
| Guanosine 5^-monophosphate | 473674.00 | 522407.38 | 868557.12 | 1139438.62 | 715309.25 | 505125.62 | 948646.62 | 1063202.00 | 432279.12 | 565295.62 | 569806.38 | 606123.75 | 160894.00 | 205452.88 | 221416.50 | 348554.00 | 170021.88 | 221273.12 | 932825.44 | 167263.88 | 433385.00 | |
| Hexanoyl-carnitine | 13168.00 | 20644.62 | 1146.00 | 1460.75 | 2345.00 | 22696.12 | 1853.38 | 925.00 | 4435.12 | 10636.12 | 1082.75 | 100.00 | 1201.00 | 1802.38 | 891.75 | 6150.00 | 1278.00 | 519.50 | 20978.81 | 100.00 | 1938.50 | |
| Hexose phosphate isomer A | 173111.62 | 139165.38 | 379925.88 | 429935.12 | 61616.75 | 60557.25 | 894035.12 | 1002610.75 | 477553.62 | 588567.12 | 387676.00 | 570871.00 | 485284.75 | 550945.50 | 374957.25 | 208866.00 | 508287.00 | 545993.00 | 263175.88 | 305170.75 | 412339.12 | |
| Hexose phosphate isomer B | 64078.75 | 62260.25 | 144326.50 | 187932.38 | 22184.50 | 15109.38 | 326852.38 | 381120.12 | 248694.38 | 236420.88 | 236016.12 | 237942.62 | 235855.00 | 256793.12 | 162569.75 | 87272.86 | 251501.75 | 221469.12 | 62900.00 | 150245.00 | 149387.62 | |
| Hexose phosphate isomer D | 73153.38 | 62082.50 | 175185.25 | 258703.75 | 26337.75 | 22624.75 | 456192.50 | 602066.12 | 261954.25 | 346794.88 | 210712.50 | 310727.50 | 260781.75 | 338834.75 | 170742.62 | 103419.71 | 272229.12 | 288202.38 | 119943.38 | 154245.50 | 209303.62 | |
| H-gamma-glutamyl-glutamine | 2442687.00 | 1376888.25 | 2490961.38 | 1795491.12 | 2202479.38 | 1231405.62 | 1918885.12 | 856224.38 | 1341634.25 | 732841.88 | 1052782.50 | 414991.12 | 833654.38 | 573099.62 | 938509.12 | 841677.29 | 501602.75 | 267505.38 | 3852518.94 | 982757.00 | 842576.12 | |
| His-Gly | 194868.88 | 155495.38 | 258651.00 | 174447.12 | 208740.62 | 170887.12 | 134695.62 | 99012.25 | 346135.75 | 262250.00 | 527444.50 | 371295.38 | 688246.25 | 313251.50 | 128456.38 | 50619.14 | 684176.88 | 382364.88 | 130580.12 | 580245.38 | 335306.38 | |
| His-Pro | 76617.50 | 72659.50 | 48071.12 | 49935.25 | 44007.62 | 44911.00 | 43972.25 | 57899.00 | 81408.88 | 95335.12 | 61287.62 | 194407.50 | 54554.50 | 51268.62 | 31461.38 | 77166.57 | 48134.25 | 144645.12 | 63406.06 | 49157.62 | 55738.38 | |
| Histamine | 181201.75 | 126729.25 | 21411.25 | 15573.50 | 51856.62 | 32403.00 | 33834.88 | 15003.50 | 230388.12 | 168388.50 | 19185.75 | 30333.62 | 70334.88 | 45766.75 | 89629.50 | 18845.00 | 38824.25 | 4281982.50 | 95265.19 | 87745.75 | 66787.75 | |
| Histidine isomer A | 8775981.12 | 8776031.00 | 10773527.12 | 10658888.50 | 9680340.75 | 7951001.75 | 8721540.75 | 7683519.38 | 9277773.00 | 7886151.62 | 11247451.00 | 10821293.50 | 9990614.88 | 8381673.00 | 7373010.25 | 7019793.71 | 9493090.88 | 9462676.12 | 7698579.38 | 10138276.50 | 10104014.88 | |
| Histidine isomer B | 53065.50 | 55968.00 | 70650.38 | 46208.88 | 54401.00 | 40931.25 | 47711.00 | 25521.38 | 54128.38 | 35236.38 | 61737.12 | 42995.62 | 41179.25 | 25051.88 | 40663.88 | 27209.86 | 45658.50 | 35774.75 | 17613.88 | 52703.75 | 45980.00 | |
| His-Val | 130424.25 | 214379.62 | 161310.12 | 133165.12 | 212061.75 | 149718.12 | 95812.25 | 72103.00 | 166632.75 | 351563.12 | 447139.38 | 593798.75 | 261027.75 | 215621.50 | 62112.38 | 65320.86 | 409269.50 | 385081.00 | 44026.50 | 177200.38 | 186895.62 | |
| Homoarginine | 334004.62 | 437207.75 | 193072.62 | 223580.88 | 391390.12 | 407486.50 | 320880.00 | 339495.00 | 200261.00 | 201309.88 | 146569.25 | 132738.12 | 180313.75 | 217754.12 | 281733.88 | 339185.43 | 123040.50 | 141952.38 | 221303.88 | 180972.12 | 232451.75 | |
| Homocysteine | 2784550.88 | 2642573.25 | 2491677.62 | 2644715.00 | 2458224.25 | 2721189.88 | 2970754.88 | 2910257.75 | 2806963.75 | 2724164.75 | 2689952.25 | 2726454.38 | 2818482.62 | 2556081.50 | 2652730.12 | 2348322.71 | 2610494.75 | 2715002.50 | 2700562.94 | 2748854.75 | 2860734.00 | |
| Ile-Arg | 45910.50 | 291544.38 | 72713.00 | 237710.62 | 60383.75 | 399961.12 | 37088.50 | 139994.38 | 68017.25 | 213048.12 | 71803.88 | 217924.25 | 55608.25 | 183253.88 | 50269.00 | 171765.00 | 61855.25 | 179860.38 | 23924.00 | 40152.62 | 152948.75 | |
| Ile-Pro-Arg | 199635.38 | 247710.38 | 211869.50 | 150020.00 | 181422.00 | 229780.88 | 138958.75 | 133564.12 | 404967.50 | 358257.50 | 442588.88 | 414367.50 | 703575.88 | 524545.38 | 85795.75 | 55969.00 | 740052.62 | 715888.00 | 95857.62 | 668466.88 | 465876.38 | |
| Inosine 5^-monophosphate isomer | 1227177.75 | 1025406.75 | 2328370.12 | 2950446.38 | 1267270.25 | 1302435.00 | 1965844.00 | 2154554.12 | 709189.62 | 824704.25 | 981573.25 | 1037155.62 | 313890.00 | 353047.75 | 612531.75 | 871113.00 | 276689.25 | 381277.62 | 1059415.81 | 353937.25 | 772333.88 | |
| Isoleucine | 1646113.50 | 2266646.00 | 2104856.12 | 2520728.88 | 2498430.62 | 2628254.50 | 1879301.50 | 2081118.75 | 3119344.62 | 3277069.50 | 1927412.38 | 2319333.75 | 3506247.62 | 3151479.88 | 2129030.12 | 2414931.71 | 2856123.50 | 2889403.00 | 1756511.69 | 2750810.12 | 2500128.00 | |
| Isovaleryl-carnitine | 680067.25 | 857103.25 | 403537.62 | 571074.00 | 453082.12 | 410338.75 | 450948.88 | 477907.25 | 327049.75 | 442457.12 | 536856.88 | 700206.00 | 325334.88 | 292650.25 | 298244.25 | 361184.00 | 444450.75 | 506359.25 | 540024.06 | 466404.75 | 595999.62 | |
| Lacto-N-biose | 84863.50 | 93136.88 | 73219.00 | 72845.75 | 105555.75 | 91549.75 | 78387.50 | 65359.50 | 85456.50 | 93847.75 | 140292.38 | 134382.12 | 103708.12 | 95618.62 | 62150.50 | 66765.43 | 108916.00 | 127755.38 | 92233.31 | 95049.62 | 107844.38 | |
| Laminine | 6616024.62 | 8661270.88 | 3377164.62 | 4176990.00 | 7543102.50 | 8218852.88 | 6074874.62 | 6824478.12 | 4123696.50 | 4529834.75 | 2688404.25 | 2857238.00 | 3872228.75 | 4440239.12 | 5842926.62 | 6899767.86 | 2255312.38 | 2834977.62 | 4405271.00 | 3694154.00 | 4776058.25 | |
| Leu-Leu | 32481.50 | 209572.75 | 40551.75 | 130840.25 | 45937.38 | 227586.75 | 22595.50 | 104023.12 | 45497.12 | 204766.38 | 54938.50 | 177982.62 | 51738.50 | 164459.50 | 16076.50 | 169284.86 | 53066.50 | 212243.12 | 11442.69 | 35936.38 | 130154.00 | |
| Lidocaine | 36520.75 | 264363.25 | 41819.12 | 369909.75 | 41173.12 | 252162.50 | 27902.88 | 341405.62 | 74182.00 | 256239.50 | 41400.38 | 264317.38 | 44317.38 | 319386.50 | 28352.12 | 322824.29 | 26919.50 | 237576.62 | 298285.12 | 35095.25 | 295579.25 | |
| Lys-Ala | 71293.38 | 133052.12 | 66159.12 | 99820.38 | 71598.25 | 155362.12 | 57522.12 | 105918.75 | 68440.25 | 129777.00 | 166441.62 | 197117.12 | 99056.75 | 143846.12 | 90447.12 | 159319.29 | 127982.50 | 164345.50 | 89082.69 | 112244.38 | 158645.38 | |
| Lys-Gln | 1099.50 | 8170.88 | 3470.50 | 26432.38 | 1094.38 | 15678.38 | 1532.50 | 15175.00 | 4923.75 | 18735.88 | 8131.12 | 32762.00 | 12159.50 | 23268.00 | 3682.62 | 22552.43 | 18944.12 | 23870.50 | 81.50 | 6730.00 | 14452.88 | |
| Lys-Glu | 32206.50 | 37099.38 | 28778.88 | 33534.25 | 29886.62 | 43517.38 | 28801.00 | 51323.88 | 30837.88 | 41232.38 | 24173.75 | 31547.50 | 32250.38 | 34717.50 | 28632.75 | 53506.71 | 24911.50 | 33789.38 | 9731.44 | 26101.88 | 28418.00 | |
| Lys-Ile | 9331.88 | 286524.75 | 12372.25 | 76148.12 | 18294.25 | 279498.75 | 14515.00 | 99000.75 | 14398.88 | 73298.00 | 17321.62 | 72834.38 | 8951.25 | 45683.75 | 4688.38 | 106418.86 | 12248.75 | 45931.75 | 4836.94 | 3810.75 | 41197.12 | |
| Lysine | 11832002.88 | 12331306.25 | 11113090.50 | 11406755.38 | 12338494.12 | 13616016.12 | 11864837.00 | 13764151.75 | 14692956.50 | 16034072.00 | 13007156.25 | 15496743.00 | 14581817.25 | 15248991.62 | 10880144.12 | 11236444.71 | 15453421.38 | 15524561.75 | 9683862.19 | 13771559.50 | 14807166.88 | |
| Malonyl-carnitine | 289348.75 | 307224.38 | 732270.62 | 711374.50 | 248148.12 | 259117.50 | 220404.38 | 263862.25 | 198056.12 | 210397.12 | 516926.62 | 383101.25 | 292609.00 | 260026.12 | 164901.62 | 207532.43 | 376279.00 | 346850.12 | 209283.06 | 304305.38 | 300952.12 | |
| Methacholine cation | 11688353.38 | 7777920.12 | 13774356.38 | 9990778.88 | 10435611.50 | 6543556.25 | 10760453.88 | 7270196.38 | 10863693.75 | 7501986.75 | 18965848.00 | 11083568.75 | 11253953.00 | 7121736.12 | 10422238.50 | 7977553.43 | 14093410.12 | 8324429.12 | 8523439.12 | 11674228.38 | 8338747.62 | |
| Methionine | 4115889.38 | 3744217.00 | 4945989.50 | 4988433.25 | 5376143.38 | 4773078.75 | 4037424.12 | 3159739.62 | 5790504.12 | 5324236.00 | 4711625.75 | 4766507.88 | 6365389.00 | 5020839.75 | 3952897.75 | 3729048.43 | 5712378.62 | 5323562.62 | 2100433.12 | 5924495.88 | 4870776.88 | |
| Methylhistamine | 1613531.62 | 1807137.00 | 402742.12 | 482295.25 | 902198.88 | 1014917.00 | 879154.75 | 1036105.88 | 2512045.38 | 2760315.75 | 297980.25 | 350101.88 | 1009914.75 | 1048823.38 | 991777.62 | 922249.71 | 453207.12 | 758383.62 | 1350135.50 | 1148113.50 | 1436815.25 | |
| N8-Acetylspermidine | 497856.12 | 964068.50 | 525049.12 | 1047466.62 | 348978.12 | 655790.12 | 558263.75 | 899724.75 | 416352.75 | 897256.25 | 644223.88 | 1062034.50 | 355470.75 | 639650.88 | 659057.25 | 1913845.71 | 603746.75 | 975808.00 | 427172.38 | 350289.50 | 668914.88 | |
| N-Acetylaspartylglutamic acid | 5615793.75 | 3609308.75 | 11886302.12 | 9377999.88 | 4655694.88 | 3553467.38 | 4699517.75 | 3553135.50 | 11102402.62 | 10234416.00 | 27259686.25 | 19278902.50 | 14424395.50 | 13315298.00 | 6059194.25 | 6435529.57 | 20124118.50 | 14439956.50 | 10016648.56 | 11597855.88 | 10875047.62 | |
| N-Acetyl-glucosamine | 118151.75 | 112349.75 | 129084.62 | 135713.12 | 121007.50 | 104171.00 | 114344.12 | 113213.12 | 113508.25 | 106010.00 | 135775.12 | 121677.50 | 108453.00 | 109665.25 | 117661.62 | 128618.57 | 111873.00 | 107497.38 | 147032.81 | 102967.50 | 103224.75 | |
| N-Acetyl-lactosamine | 243737.12 | 250101.38 | 177325.00 | 197808.12 | 216707.38 | 178234.25 | 184190.75 | 181967.00 | 270163.25 | 240559.00 | 472319.88 | 528834.50 | 227380.62 | 216896.75 | 343352.00 | 432383.00 | 250112.00 | 279588.12 | 303712.94 | 178231.38 | 223456.75 | |
| N-Acetylmethionine | 180127.50 | 181602.00 | 215020.75 | 250182.12 | 249920.62 | 256056.12 | 238013.25 | 212107.75 | 230856.75 | 211209.12 | 196555.50 | 167693.38 | 244110.25 | 193518.00 | 186029.00 | 244592.43 | 202445.25 | 164823.88 | 84157.25 | 200031.50 | 191012.62 | |
| (-)-N-Acetylneuraminic acid | 148152.62 | 212875.12 | 6210.25 | 32766.38 | 156733.88 | 206799.25 | 151032.50 | 179645.62 | 113010.12 | 154991.75 | 477.75 | 8563.62 | 21808.50 | 44398.75 | 119387.25 | 202292.00 | 447.50 | 7965.50 | 141020.81 | 23499.75 | 100976.88 | |
| N.alpha.-Acetyl-lysine | 147989.25 | 163856.38 | 190194.62 | 189042.25 | 169905.38 | 154957.62 | 144781.88 | 144799.38 | 136194.38 | 136113.50 | 111563.00 | 102426.62 | 115159.62 | 107985.38 | 227626.62 | 250329.00 | 109908.50 | 129081.50 | 174876.94 | 134839.38 | 125526.50 | |
| N-alpha-Acetyl-ornithine | 517109.38 | 708709.50 | 467901.12 | 574212.62 | 519187.25 | 587208.12 | 457218.38 | 606047.50 | 509808.12 | 653285.38 | 416994.25 | 519476.62 | 388229.50 | 491279.38 | 498986.00 | 694859.86 | 357166.62 | 1803608.62 | 708505.06 | 418004.75 | 537115.25 | |
| N-alpha-Methyl-lysine | 12362.25 | 10109.25 | 11712.12 | 8795.38 | 11210.62 | 12191.00 | 13192.25 | 14486.12 | 12104.50 | 10327.88 | 13205.62 | 7878.50 | 10208.12 | 11219.12 | 11654.38 | 8394.14 | 13815.12 | 6981.50 | 20505.50 | 13750.00 | 7965.88 | |
| N-Cyclohexylformamide | 199939.75 | 179145.75 | 196356.50 | 178877.25 | 190085.62 | 167690.75 | 230271.88 | 192510.25 | 204972.12 | 175332.25 | 182553.00 | 166772.38 | 198520.88 | 179703.38 | 205366.62 | 198342.86 | 172832.25 | 165702.12 | 611891.00 | 205643.00 | 179874.25 | |
| Neoabietic acid | 69969.12 | 49729.88 | 97486.50 | 95024.75 | 85341.38 | 56850.62 | 75512.62 | 109880.75 | 86455.88 | 103667.50 | 113716.38 | 108026.75 | 59855.75 | 75375.38 | 61937.75 | 62814.14 | 114581.38 | 43642.75 | 28854.31 | 62008.75 | 182407.12 | |
| N.epsilon.-Methyl-lysine | 1627949.00 | 2092168.62 | 2862201.00 | 3123595.50 | 1462341.50 | 1607378.62 | 1373082.75 | 1547772.75 | 1655762.00 | 2133885.38 | 3984608.00 | 4262555.50 | 2451447.50 | 2776165.00 | 1106850.88 | 1416507.43 | 3228323.38 | 3401358.12 | 1664807.31 | 2352365.25 | 2813098.50 | |
| Nicotinamide | 283388881.75 | 294280008.25 | 292595162.00 | 295726076.38 | 296826794.38 | 279030950.88 | 288632619.62 | 259469752.00 | 281379291.88 | 280496832.38 | 296314096.50 | 283263159.88 | 282222173.25 | 267286038.88 | 283625102.00 | 309913275.86 | 261079408.62 | 253815884.38 | 330744512.62 | 279885936.75 | 280817442.50 | |
| Nicotinamide riboside cation | 249935.12 | 225024.88 | 207600.88 | 251715.88 | 295266.75 | 255768.62 | 134193.50 | 147391.88 | 133553.50 | 133274.62 | 154146.50 | 174472.38 | 187596.75 | 169533.00 | 236146.75 | 262290.71 | 118842.25 | 171332.50 | 188683.56 | 192829.75 | 211723.00 | |
| Nicotine | 608390.88 | 806074.88 | 752219.50 | 553533.00 | 742192.62 | 1631381.75 | 577164.62 | 668732.38 | 552545.38 | 697399.88 | 892319.88 | 712247.50 | 538748.12 | 701755.38 | 612117.88 | 1927769.00 | 664049.62 | 567356.00 | 1104608.19 | 793400.00 | 443729.38 | |
| N-Methylalanine | 403815.88 | 420876.25 | 382900.00 | 277519.75 | 478879.75 | 271781.50 | 402620.88 | 219582.88 | 351122.25 | 296985.00 | 424786.62 | 370336.25 | 316087.25 | 221220.88 | 361863.38 | 285763.14 | 289852.12 | 279698.75 | 193793.62 | 295641.62 | 299847.50 | |
| N-Methylanthranilic acid | 55934.75 | 55450.75 | 67588.88 | 54247.00 | 52824.50 | 57720.38 | 55498.88 | 51099.38 | 52966.25 | 53250.75 | 66201.50 | 51310.12 | 50217.75 | 50178.00 | 51039.88 | 54059.29 | 60233.88 | 45023.25 | 42337.50 | 57441.50 | 52656.00 | |
| N-Methylglutamic acid | 1640865.12 | 1457913.25 | 3354082.00 | 3393452.00 | 3094926.25 | 2154796.38 | 1799047.00 | 1410404.00 | 2209398.50 | 1861619.88 | 1424957.25 | 1238265.12 | 1543582.62 | 1325190.12 | 1964403.50 | 2074779.00 | 943887.25 | 822294.62 | 908431.75 | 1247174.25 | 1114790.50 | |
| N-Methylhistidine | 478783.75 | 1071250.88 | 532748.25 | 991605.62 | 565916.62 | 953715.12 | 480654.62 | 823928.00 | 431126.62 | 828777.88 | 455001.12 | 799697.00 | 434148.62 | 692636.00 | 484954.00 | 1140026.00 | 365414.88 | 628131.50 | 313869.31 | 444985.75 | 832255.62 | |
| N-Methylvaline | 2662950.50 | 3957108.25 | 3530937.62 | 4526748.38 | 3902733.12 | 4131312.00 | 2795010.25 | 3076934.75 | 6070871.75 | 6040563.50 | 3752915.88 | 4800889.12 | 6432130.25 | 6061187.38 | 3094314.00 | 3320469.71 | 5722040.88 | 6084412.12 | 2679552.19 | 5367972.50 | 4572744.12 | |
| N,N-Dimethylarginine | 1026325.50 | 1189194.38 | 1500395.38 | 1937369.75 | 1136608.50 | 1452283.75 | 892570.62 | 1064023.25 | 1240214.50 | 1198528.62 | 1178432.12 | 1131181.88 | 1530567.00 | 1577934.88 | 1346625.00 | 1531232.86 | 1180688.38 | 1422442.25 | 583129.81 | 1623861.12 | 1535942.88 | |
| n-Octadecylamine | 15686.62 | 3994.88 | 14161.12 | 261504.88 | 10113.88 | 27584.50 | 8217.75 | 13349.00 | 8480.25 | 29045.38 | 27414.75 | 20693.62 | 14958.75 | 13057.75 | 20595.38 | 19034.00 | 29514.62 | 7041.12 | 9152.00 | 18627.50 | 9114.25 | |
| N-omega-Acetylhistamine | 12071.75 | 7344.38 | 23502.75 | 6945.25 | 7191.88 | 5538.88 | 9676.00 | 7584.25 | 12856.12 | 7219.00 | 13771.75 | 5488.88 | 13343.25 | 5908.75 | 7415.50 | 4651.29 | 11994.50 | 978427.00 | 12475.25 | 12212.88 | 7829.38 | |
| Oleamide isomer | 2978893.00 | 2809890.50 | 3116316.88 | 2720438.88 | 3270795.25 | 3751255.75 | 2557681.62 | 3414170.50 | 2974014.75 | 3300930.12 | 2239557.88 | 2597684.00 | 3735746.75 | 3284754.00 | 1676098.62 | 3348786.71 | 3675341.62 | 3637797.75 | 6377454.38 | 3084700.50 | 3711319.12 | |
| Oleoyl ethylamide | 126765.75 | 96883.12 | 143806.25 | 83805.38 | 98145.62 | 110954.50 | 153744.75 | 107249.25 | 174160.12 | 94375.38 | 135686.62 | 100443.12 | 106425.25 | 119648.88 | 102680.88 | 128055.71 | 129639.50 | 95428.12 | 103873.62 | 123484.00 | 140578.88 | |
| O,O-Diethyl phosphate | 23038.00 | 25579.25 | 21814.62 | 18846.50 | 25486.38 | 25752.00 | 32353.12 | 25756.25 | 27199.50 | 23123.75 | 16494.62 | 20109.12 | 20008.00 | 17330.50 | 18835.25 | 26222.14 | 18711.62 | 19685.00 | 17834.19 | 27627.88 | 20391.25 | |
| o-Phosphocolamine | 2731556.12 | 2852446.50 | 1111490.62 | 1137113.75 | 2231665.12 | 2222085.88 | 1780505.00 | 1824001.75 | 2651389.88 | 2344338.75 | 1498029.75 | 1416355.38 | 2017276.88 | 2182563.50 | 1823468.38 | 2151742.00 | 1640366.12 | 1557455.75 | 1799272.50 | 1923931.50 | 2009782.88 | |
| Ornithine | 262026.62 | 256358.62 | 276735.25 | 255500.12 | 201114.62 | 244155.62 | 264785.62 | 306237.00 | 255218.12 | 240585.75 | 256114.25 | 376288.62 | 223215.12 | 223683.50 | 346051.00 | 483695.86 | 221942.62 | 551699.62 | 289850.94 | 225341.12 | 252557.38 | |
| Palmitamide isomer A | 1019105.12 | 1210978.50 | 995474.50 | 1320131.88 | 1214427.62 | 1480524.75 | 1047717.62 | 1467995.38 | 1179626.62 | 1234700.25 | 801769.75 | 1138473.38 | 1198934.62 | 1443314.38 | 950175.50 | 1401924.14 | 1198684.12 | 1163340.50 | 990765.62 | 1202681.50 | 1556666.38 | |
| Palmitamide isomer B | 48348.50 | 26527.12 | 26694.75 | 546740.38 | 430269.50 | 19459.00 | 55403.38 | 11396.12 | 14663.75 | 21219.12 | 36413.75 | 21847.38 | 28321.75 | 24786.38 | 45130.50 | 21258.00 | 41967.38 | 21660.38 | 30384.12 | 35243.25 | 13266.00 | |
| Palmitoyl ethanolamide | 39425.62 | 32235.75 | 62439.62 | 58708.88 | 49367.12 | 33866.25 | 37906.38 | 33187.00 | 44568.00 | 60132.50 | 78624.62 | 65794.38 | 65364.00 | 71829.00 | 35240.12 | 22922.86 | 77818.50 | 184624.12 | 28150.19 | 98484.50 | 75427.50 | |
| Pantothenic acid | 885259.75 | 422083.38 | 1790678.00 | 1126059.62 | 707541.00 | 369090.88 | 645794.88 | 293977.12 | 1061485.12 | 522865.62 | 791082.25 | 394378.75 | 837269.62 | 381385.12 | 2099415.75 | 1868170.71 | 612320.75 | 359211.88 | 635526.31 | 704305.62 | 385913.75 | |
| Pantothenic acid isomer A | 39959477.88 | 23117487.62 | 70588294.62 | 50693808.00 | 35489273.00 | 21209979.00 | 33369535.00 | 17585219.62 | 48061606.25 | 26185154.00 | 36777952.75 | 21528995.62 | 37970793.38 | 21401954.38 | 86412142.00 | 75134587.71 | 30219770.25 | 18586815.25 | 31843661.62 | 33272046.38 | 20646413.50 | |
| Pantothenic acid isomer B | 271584.50 | 132159.88 | 524878.25 | 321950.75 | 221023.75 | 126157.25 | 192910.62 | 102851.00 | 347673.88 | 167138.62 | 245121.25 | 122537.00 | 263588.38 | 121897.88 | 628602.75 | 583998.14 | 192777.50 | 116648.88 | 219856.94 | 200174.12 | 131072.75 | |
| Phe-Arg | 3512.25 | 73564.12 | 5277.25 | 59116.75 | 6932.50 | 88359.12 | 1253.38 | 25089.38 | 3616.12 | 176260.88 | 13696.00 | 218672.62 | 5279.00 | 100204.50 | 3179.88 | 27173.14 | 14838.62 | 310334.12 | 1515.88 | 6278.62 | 72855.50 | |
| Phe-Lys | 16338.75 | 141016.62 | 69599.50 | 148928.12 | 27942.75 | 164811.50 | 13846.62 | 66341.75 | 20687.75 | 136260.12 | 119088.00 | 298397.25 | 41590.75 | 122505.12 | 12823.12 | 89188.14 | 127798.75 | 197991.88 | 9472.19 | 40668.50 | 111408.62 | |
| Phencyclidine | 442077.00 | 338809.62 | 415937.62 | 212512.62 | 399635.38 | 256439.75 | 493932.62 | 354150.12 | 391713.75 | 299401.00 | 398273.38 | 302847.12 | 361076.88 | 294185.25 | 409993.00 | 371525.57 | 378647.38 | 292599.38 | 4641135.31 | 303551.50 | 273517.62 | |
| Phenethylamine | 20567649.12 | 23608528.62 | 20432683.25 | 22277829.62 | 21646805.50 | 22552026.50 | 20916231.75 | 21910622.00 | 21503657.62 | 22332029.25 | 20956559.38 | 22045749.38 | 20962765.75 | 22772162.75 | 22227391.88 | 22227790.43 | 21741139.25 | 21822526.25 | 21741329.56 | 20904127.50 | 21782551.38 | |
| Phosphocholine | 10788105.62 | 9743477.62 | 8322899.62 | 8837325.38 | 7815587.62 | 8376684.75 | 9183327.00 | 10255085.50 | 9887588.25 | 9103675.25 | 5948888.62 | 5308255.25 | 7031159.00 | 7765611.75 | 6723451.75 | 7824291.57 | 5825686.62 | 5775122.12 | 6015638.19 | 7496745.62 | 7632625.62 | |
| Phosphocholine isomer | 294984.00 | 365728.75 | 208816.25 | 264601.38 | 67417.25 | 104654.62 | 146566.25 | 256855.50 | 266873.00 | 126410.25 | 39900.88 | 33328.50 | 68983.00 | 91595.62 | 61958.62 | 63392.71 | 40562.00 | 64669.75 | 35494.06 | 100920.25 | 99556.62 | |
| Pro-Ala | 107871.62 | 207336.75 | 125422.75 | 118551.38 | 206491.62 | 137920.62 | 200278.12 | 89729.25 | 178666.12 | 150869.25 | 137946.50 | 92621.88 | 133256.88 | 157260.75 | 165130.88 | 125916.86 | 178055.38 | 161717.12 | 137681.38 | 138407.88 | 137530.50 | |
| Pro-Asn | 163654.00 | 183274.62 | 152006.00 | 177263.25 | 243672.62 | 156775.25 | 157696.25 | 189343.25 | 270293.50 | 267230.25 | 171429.88 | 178753.00 | 248864.88 | 221797.88 | 195214.75 | 188608.00 | 221124.12 | 182289.75 | 121766.44 | 199331.25 | 198836.38 | |
| Pro-Gln | 512230.25 | 556161.25 | 559372.00 | 584470.50 | 705350.75 | 712800.00 | 538674.88 | 647060.38 | 1168401.00 | 986085.00 | 726118.38 | 632446.62 | 1377919.75 | 938016.62 | 722368.62 | 714460.86 | 1068948.50 | 840871.12 | 376860.88 | 1071985.00 | 871559.00 | |
| Prolinamide isomer A | 16157.25 | 15323.88 | 14732.25 | 14554.88 | 19008.12 | 15558.62 | 21392.62 | 15961.25 | 12195.88 | 16228.50 | 17670.50 | 23301.75 | 23656.00 | 13477.75 | 11094.88 | 25504.71 | 16551.75 | 44265.00 | 13112.44 | 20187.12 | 19308.12 | |
| Prolinamide isomer B | 44765.12 | 47500.12 | 47480.50 | 48959.62 | 32822.38 | 43477.75 | 45274.62 | 50362.88 | 48556.50 | 45842.75 | 48658.88 | 85115.88 | 43027.75 | 40982.12 | 58823.25 | 93769.57 | 39795.62 | 122205.00 | 58373.50 | 39289.62 | 44179.88 | |
| Proline | 1152183.25 | 1326819.38 | 1726943.38 | 1814576.12 | 1673227.25 | 1872074.75 | 1289523.75 | 1402044.00 | 2024735.12 | 1735662.38 | 1496936.00 | 1601836.50 | 2319980.00 | 3108214.62 | 1880480.75 | 2199774.86 | 2067232.50 | 2510916.12 | 1431850.56 | 2249599.25 | 1863314.00 | |
| Proline betaine | 160162.62 | 131889.38 | 171026.50 | 158082.75 | 123007.62 | 107492.12 | 156057.25 | 133154.38 | 206163.88 | 178809.50 | 200547.88 | 210465.25 | 140368.25 | 110764.75 | 211549.62 | 187885.43 | 198026.38 | 184646.75 | 801714.81 | 175552.00 | 180877.50 | |
| Pro-Met | 55618.38 | 79616.25 | 55818.12 | 85256.62 | 66969.12 | 48357.25 | 34701.88 | 45454.62 | 59018.38 | 121864.25 | 192568.12 | 205783.12 | 125684.62 | 129577.38 | 28986.00 | 26220.43 | 210698.50 | 158253.12 | 46995.25 | 116735.12 | 172257.88 | |
| Propionylcarnitine | 905642.25 | 1069154.00 | 1863447.50 | 2065126.12 | 652692.88 | 1092701.88 | 473196.00 | 529833.38 | 1233575.50 | 1141879.00 | 897228.88 | 1122866.75 | 736913.50 | 793691.75 | 854196.62 | 1375325.14 | 596779.12 | 780311.00 | 1468025.25 | 620584.38 | 873218.75 | |
| P-Toluenesulfonic acid | 183567.75 | 502556.62 | 226846.75 | 368565.62 | 122081.62 | 306113.75 | 87810.88 | 208565.50 | 125311.38 | 236058.75 | 195195.00 | 339610.75 | 167888.75 | 242770.25 | 138670.62 | 243866.57 | 145902.38 | 233210.88 | 199707.56 | 237152.75 | 408565.00 | |
| Putrescine | 480376.88 | 660072.50 | 589561.62 | 743474.12 | 365166.75 | 663478.38 | 480552.00 | 594434.00 | 473555.50 | 805131.00 | 697040.75 | 1218495.75 | 564931.38 | 826246.00 | 783076.50 | 1605707.14 | 735891.00 | 1066014.25 | 569864.69 | 540786.00 | 807293.88 | |
| Pyridoxamine | 276406.75 | 131541.25 | 277949.62 | 141560.50 | 586631.00 | 199138.25 | 348850.50 | 150163.00 | 253197.75 | 198212.75 | 418368.62 | 213064.88 | 283675.62 | 172662.00 | 315364.50 | 45219.00 | 224585.25 | 166755.62 | 326258.88 | 298106.12 | 86084.25 | |
| Pyroglutamic acid isomer | 1868251.62 | 1744446.38 | 1980428.62 | 1788272.88 | 1874177.00 | 1527200.25 | 1756727.00 | 1393839.00 | 1831648.75 | 1450701.00 | 1744627.12 | 1477042.12 | 1589289.00 | 1274420.12 | 1324488.62 | 1490795.14 | 1481631.38 | 1231608.12 | 1468328.75 | 1569550.25 | 1439646.62 | |
| S-Adenosyl-homocysteine | 1997983.00 | 1785007.75 | 1899323.62 | 1650939.12 | 1876384.88 | 1412042.50 | 1434669.25 | 1212554.50 | 1945697.38 | 1781037.25 | 1829300.38 | 1536527.38 | 1626611.00 | 1661516.50 | 1782783.62 | 1677142.43 | 1681032.38 | 1574830.12 | 1313406.12 | 1613680.00 | 1677993.75 | |
| S-Adenosyl-methionine | 133390.88 | 125002.50 | 148842.75 | 136290.00 | 141096.00 | 117830.50 | 147725.12 | 134017.88 | 103762.75 | 94808.88 | 184885.25 | 139406.12 | 137058.62 | 113467.38 | 209234.75 | 241782.57 | 138652.12 | 109002.62 | 44465.56 | 132365.25 | 128342.88 | |
| Ser-Ala | 219816.75 | 324596.75 | 261059.62 | 453921.38 | 391589.62 | 472909.12 | 240480.38 | 289322.38 | 450576.12 | 641132.88 | 451077.62 | 691466.25 | 561028.62 | 623928.25 | 176791.00 | 275533.29 | 557913.62 | 579285.88 | 84336.25 | 379543.88 | 446055.12 | |
| Ser-Arg | 37988.25 | 62408.12 | 72183.38 | 135840.12 | 36183.12 | 67046.25 | 38474.12 | 62080.75 | 53633.88 | 111401.50 | 143300.12 | 291201.75 | 84387.75 | 109373.38 | 34431.38 | 62466.14 | 136481.50 | 170917.88 | 13346.38 | 70121.12 | 95602.62 | |
| Serine | 3871982.50 | 4300588.75 | 4044645.75 | 3940218.88 | 4678152.62 | 4826772.50 | 4357425.62 | 4279922.88 | 3943795.75 | 3653972.50 | 3683048.00 | 4076735.62 | 4524925.00 | 3982416.88 | 3333405.12 | 3348187.57 | 4990323.50 | 4512525.88 | 3028262.56 | 4714000.75 | 3976337.25 | |
| Ser-Lys | 16464.50 | 51262.50 | 39550.88 | 87807.12 | 15722.25 | 47015.75 | 9944.25 | 27494.25 | 21691.38 | 59516.12 | 90259.88 | 134094.88 | 49354.62 | 70243.50 | 11646.00 | 30489.71 | 105722.12 | 112372.12 | 17525.62 | 51282.88 | 75519.00 | |
| sn-Glycero-3-phosphocholine | 197142889.88 | 251778163.50 | 152829641.50 | 249707316.62 | 132327751.25 | 151440964.00 | 143277244.50 | 171821833.38 | 227451132.62 | 314155237.00 | 125895225.12 | 182439049.25 | 169898854.12 | 234298141.25 | 70861144.88 | 131263423.00 | 96854912.25 | 146837780.75 | 205532851.94 | 103665959.88 | 209048958.12 | |
| Spermidine | 136961.38 | 113333.62 | 126116.88 | 104660.75 | 127593.88 | 107887.25 | 137765.38 | 118109.12 | 94087.00 | 145740.75 | 118592.25 | 131054.38 | 121250.88 | 117252.88 | 233371.00 | 121057.14 | 74838.38 | 114613.75 | 89273.94 | 121918.50 | 159476.38 | |
| Stachydrine isomer | 633685.62 | 712611.00 | 818479.38 | 943798.62 | 414527.00 | 462227.38 | 403788.75 | 468864.00 | 560062.38 | 651673.12 | 1109844.12 | 1088714.88 | 791212.25 | 928982.25 | 605284.62 | 891488.00 | 774071.50 | 859619.38 | 519502.44 | 675875.25 | 859422.75 | |
| Stearamide isomer A | 337470.62 | 362342.12 | 301219.25 | 449174.88 | 363270.75 | 402580.62 | 292195.38 | 473521.38 | 387436.50 | 408707.75 | 313722.00 | 399819.50 | 385237.00 | 402279.75 | 277774.38 | 381784.71 | 471917.25 | 360813.62 | 446071.50 | 332709.00 | 469305.50 | |
| Stearamide isomer B | 765040.12 | 1149770.50 | 833880.50 | 1267903.50 | 689380.00 | 717945.88 | 1119858.12 | 1322132.00 | 512976.12 | 615790.88 | 814756.00 | 799485.50 | 756735.00 | 723464.25 | 576585.50 | 1510205.43 | 856587.00 | 735527.12 | 548473.75 | 1025083.12 | 687565.00 | |
| Stearoyl ethanolamide | 4183.62 | 100.00 | 4400.88 | 6805.88 | 742.12 | 38539.12 | 2539.12 | 2780.00 | 2239.75 | 50559.88 | 61822.62 | 51376.88 | 3005.38 | 2092.88 | 3547.62 | 2317.71 | 11338.75 | 76920.25 | 8449.25 | 9994.88 | 7080.12 | |
| Sucrose isomer A | 631342.88 | 991640.12 | 269876.75 | 387843.62 | 365393.00 | 651464.75 | 950348.62 | 1006365.62 | 1050118.62 | 525170.12 | 839834.75 | 734852.12 | 535575.88 | 954761.88 | 762275.88 | 733872.71 | 1061500.12 | 967368.50 | 1051239.12 | 829285.38 | 584201.00 | |
| Sucrose isomer B | 305022.25 | 388192.88 | 271806.25 | 342964.12 | 269926.62 | 480605.25 | 288647.00 | 633973.00 | 187998.75 | 266181.50 | 303913.88 | 372033.62 | 216341.88 | 370760.38 | 1013796.75 | 580638.14 | 233868.88 | 357107.25 | 272444.25 | 333126.38 | 391110.75 | |
| Swainsonine | 39132.62 | 7068.00 | 30950.62 | 17623.88 | 4204.75 | 8143.62 | 36355.88 | 14610.00 | 32612.25 | 26352.62 | 30987.75 | 23829.88 | 31916.88 | 19061.50 | 62826.12 | 27460.14 | 9577.25 | 23955.12 | 62043.25 | 19321.12 | 30266.88 | |
| Targinine | 772642.25 | 810148.25 | 1186098.62 | 1025552.25 | 763315.00 | 1245977.12 | 605248.38 | 684144.50 | 1349879.00 | 1199834.50 | 1395156.75 | 1622955.75 | 2116218.25 | 1884659.38 | 934989.00 | 667339.71 | 2135656.88 | 2220102.62 | 307624.19 | 2202867.88 | 1733183.62 | |
| Taurine | 9034960.88 | 10827487.75 | 7045678.50 | 8463938.00 | 8096437.00 | 8564676.12 | 6976016.25 | 8300648.62 | 3816039.25 | 4300545.12 | 4131266.62 | 3689114.25 | 3288707.50 | 3616160.00 | 13757706.38 | 18586521.57 | 3254369.12 | 3383236.50 | 7162203.31 | 4519048.88 | 5195262.00 | |
| Thiamine cation | 1115713.62 | 1091387.50 | 1686624.38 | 1627906.50 | 1885788.12 | 1689720.38 | 1130200.88 | 1056264.62 | 1835146.38 | 1751807.88 | 1477011.62 | 1369123.12 | 1875044.00 | 1672596.00 | 1463957.50 | 1281050.00 | 1181825.25 | 1333309.38 | 1175993.81 | 1185481.75 | 1108323.38 | |
| Thr-Gln | 23732.62 | 75329.00 | 27561.50 | 122099.12 | 46910.75 | 78048.88 | 20266.50 | 49363.50 | 63507.62 | 99828.00 | 67045.50 | 137844.62 | 73644.75 | 79572.12 | 9526.50 | 60665.43 | 65759.38 | 94475.38 | 3505.62 | 42199.50 | 71142.00 | |
| Thr-Pro-Arg | 32128.50 | 30547.88 | 39022.50 | 31310.62 | 26344.75 | 35961.62 | 19736.50 | 29495.75 | 56109.75 | 51161.00 | 123797.38 | 103976.12 | 119519.25 | 69474.12 | 17509.38 | 10280.14 | 143896.62 | 138973.38 | 16936.62 | 101621.75 | 90693.50 | |
| Thr-Thr | 76224.25 | 168017.12 | 153578.25 | 303249.12 | 170367.12 | 230723.62 | 83271.00 | 112593.38 | 161659.75 | 320083.00 | 337659.88 | 683194.62 | 253425.38 | 351874.88 | 39852.50 | 100912.29 | 332791.25 | 459176.12 | 19051.38 | 163637.38 | 276985.50 | |
| Thymol | 258279.75 | 277847.12 | 256685.00 | 253034.38 | 251246.88 | 214794.38 | 282388.75 | 290756.75 | 276340.00 | 263552.38 | 270637.25 | 278225.12 | 238371.25 | 285125.50 | 275028.00 | 224833.29 | 226970.25 | 278555.62 | 237403.06 | 269481.62 | 245186.75 | |
| TMAO | 233726.38 | 494222.50 | 228286.75 | 333954.12 | 214317.88 | 434213.75 | 217434.50 | 349935.25 | 204595.62 | 358722.12 | 297486.38 | 406567.00 | 220894.62 | 386370.12 | 488245.38 | 1697540.86 | 256722.75 | 384438.00 | 498052.62 | 224237.12 | 444030.38 | |
| trans-Nicotine-1^-oxide isomer A | 1653.50 | 193.00 | 6480.25 | 751.25 | 1080.12 | 31644.25 | 3210.25 | 2488.75 | 827.62 | 346.12 | 3405.62 | 1105.38 | 328.88 | 617.12 | 2371.75 | 47986.29 | 4761.12 | 100.00 | 7913.06 | 757.38 | 521.25 | |
| Tributylamine | 264978.50 | 245807.12 | 269780.38 | 233094.38 | 244396.00 | 234233.75 | 264793.25 | 229311.12 | 247652.00 | 239522.62 | 312340.50 | 266691.50 | 221759.88 | 269695.12 | 266114.75 | 256943.43 | 254648.75 | 250123.62 | 329917.50 | 198874.75 | 269481.62 | |
| Triethanolamine | 1799403.50 | 1317692.00 | 1071892.00 | 1796210.25 | 1388462.12 | 1509973.50 | 1391329.88 | 1627896.38 | 1083294.38 | 1393294.88 | 1402076.38 | 1985604.75 | 1681560.75 | 1354470.38 | 1427808.88 | 2553519.43 | 894447.50 | 1182406.50 | 1252272.44 | 1278958.50 | 1401313.50 | |
| Triethyl citrate | 1559429.50 | 1376455.38 | 1632000.25 | 1095024.50 | 1237596.50 | 1173031.25 | 1445137.88 | 925446.88 | 1435248.12 | 1092253.62 | 1560081.25 | 1190827.75 | 1302457.00 | 1146553.12 | 1278621.00 | 908491.14 | 1120633.12 | 1225714.50 | 505827.44 | 1721966.25 | 1133600.12 | |
| Tripropylamine | 373287.50 | 311316.38 | 366662.00 | 367933.12 | 365434.50 | 265240.75 | 467523.12 | 328187.50 | 443339.38 | 289704.62 | 409777.50 | 391782.25 | 373815.38 | 338518.75 | 341209.88 | 322340.57 | 441484.62 | 328476.38 | 317431.56 | 399570.50 | 289034.50 | |
| Tryptophan isomer | 1027631.75 | 702695.75 | 1343608.88 | 803717.38 | 1199992.00 | 694796.00 | 971413.25 | 519660.50 | 1249130.12 | 856220.00 | 1222503.00 | 905491.25 | 1370384.88 | 853856.12 | 909476.75 | 661741.43 | 1484030.88 | 1121298.50 | 791508.69 | 1756745.00 | 915714.75 | |
| Turanose isomer B | 45287.38 | 98836.38 | 12480.12 | 21128.50 | 16932.62 | 49984.00 | 58057.12 | 95386.00 | 64335.75 | 39944.25 | 61956.75 | 58530.00 | 36311.88 | 68090.88 | 45362.50 | 69732.14 | 73545.25 | 66174.12 | 168250.19 | 67413.12 | 43187.75 | |
| Tyr-Leu | 10906.12 | 56566.88 | 7882.50 | 12269.75 | 10513.75 | 27478.62 | 3856.75 | 11662.12 | 2989.88 | 19715.75 | 36410.75 | 69979.75 | 7649.38 | 18373.12 | 1698.62 | 7948.14 | 29323.50 | 44194.50 | 5594.00 | 13271.25 | 24362.62 | |
| UMP | 182705.50 | 214127.62 | 348907.38 | 500178.50 | 174823.62 | 208388.88 | 341652.62 | 404028.50 | 98583.25 | 168073.00 | 161089.12 | 241634.50 | 63841.25 | 116608.75 | 115133.50 | 316343.14 | 54986.00 | 97285.50 | 292449.12 | 60039.38 | 154672.12 | |
| Uridine-5-diphosphoacetylgalactosamine | 237281.62 | 238303.38 | 253981.75 | 256303.25 | 253651.12 | 214975.38 | 230569.12 | 210961.00 | 224550.25 | 200840.50 | 273540.50 | 228400.00 | 195021.50 | 199008.62 | 234484.38 | 244367.57 | 188498.12 | 195828.00 | 286472.38 | 200748.25 | 209924.75 | |
| Val-Arg | 26607.88 | 145846.12 | 70425.25 | 269993.00 | 58432.50 | 277758.00 | 22886.12 | 112608.88 | 92916.12 | 243243.12 | 99258.88 | 245862.50 | 106062.12 | 220094.75 | 25642.25 | 151407.00 | 100896.12 | 275880.50 | 12147.88 | 73550.25 | 131879.75 | |
| Val-Gln | 23622.88 | 120015.25 | 24154.12 | 147409.50 | 45541.75 | 179866.75 | 26045.50 | 85757.50 | 55871.12 | 201522.12 | 55174.50 | 98379.25 | 57819.88 | 142034.50 | 41230.50 | 100639.86 | 43642.00 | 107659.62 | 21621.50 | 26795.75 | 85282.00 | |
| Val-His | 15706.75 | 43367.12 | 29278.12 | 39462.38 | 26562.50 | 44786.50 | 16180.38 | 24573.88 | 32406.25 | 35635.12 | 37491.88 | 54379.38 | 29243.38 | 31400.62 | 3966.50 | 17690.71 | 38697.50 | 41265.00 | 3345.38 | 19879.50 | 27648.00 | |
| Xanthine | 737201.88 | 623399.00 | 396941.12 | 308461.12 | 911496.50 | 779993.38 | 603744.12 | 409307.75 | 1007067.25 | 684475.50 | 626319.12 | 503902.38 | 1115496.50 | 1008675.62 | 2060266.62 | 2173299.86 | 777728.50 | 630276.38 | 438182.94 | 986847.00 | 685672.00 |
Factors:
| F1 | Brain region:Basal ganglia | Gender:Female |
| F2 | Brain region:Basal ganglia | Gender:Male |
| F3 | Brain region:Cerebellum | Gender:Female |
| F4 | Brain region:Cerebellum | Gender:Male |
| F5 | Brain region:Cerebral cortex | Gender:Female |
| F6 | Brain region:Cerebral cortex | Gender:Male |
| F7 | Brain region:Hippocampus | Gender:Female |
| F8 | Brain region:Hippocampus | Gender:Male |
| F9 | Brain region:Hypothalamus | Gender:Female |
| F10 | Brain region:Hypothalamus | Gender:Male |
| F11 | Brain region:Medulla | Gender:Female |
| F12 | Brain region:Medulla | Gender:Male |
| F13 | Brain region:Midbrain | Gender:Female |
| F14 | Brain region:Midbrain | Gender:Male |
| F15 | Brain region:Olfactory bulb | Gender:Female |
| F16 | Brain region:Olfactory bulb | Gender:Male |
| F17 | Brain region:Pons | Gender:Female |
| F18 | Brain region:Pons | Gender:Male |
| F19 | Brain region:poolQC | Gender:- |
| F20 | Brain region:Thalamus | Gender:Female |
| F21 | Brain region:Thalamus | Gender:Male |
