Data for ST001794   

(Analysis AN002911): Average values per metabolite and experimental factor (Units:Peak Height Intensity)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21
1-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholine
163193.50 - 307576.00 399129.00 271797.00 148731.00 20553.00 116272.00 237380.00 88975.00 72103.00 - - 101260.00 374597.00 284812.00 32895.00 18030.00 76010.00 102214.00 98015.00
1,4-Cyclohexanedicarboxylic acid
104912.25 35100.00 13889.00 7813.00 52755.00 10869.00 - 8473.00 6204.00 12104.00 8078.00 29397.00 19453.00 18331.00 4726.00 574446.00 359188.00 104168.00 95366.00 23278.00 11477.00
1,7-Dimethyluric acid
408075.75 - 407775.00 353007.00 677673.00 783210.00 421312.00 1192995.00 798884.00 214866.00 330209.00 324882.00 - 1223910.00 97998.00 402113.00 162264.00 333121.00 433357.00 694538.00 539513.00
1-Hexadecylamine
588473.25 197274.00 312660.00 74474.00 134164.00 139847.00 2642650.00 111907.00 49046.00 32480.00 326966.00 80075.00 74474.00 344216.00 75377.00 166064.00 22134.00 133724.00 162996.00 210447.00 1412334.00
1-Methyladenosine
1080071.25 6269.00 1032630.00 1344905.00 1222050.00 1683790.00 1078047.00 1106653.00 1393810.00 158165.00 147782.00 135491.00 27869.00 457938.00 91448.00 625357.00 1243261.00 2606048.00 5139392.00 1690329.00 794647.00
1-Methylnicotinamide
478378.00 129280.00 731836.00 750582.00 912787.00 967284.00 742353.00 602527.00 780394.00 247052.00 203345.00 156625.00 199120.00 282389.00 396090.00 714907.00 252571.00 268478.00 430809.00 705884.00 495092.00
1-Octadecylamine
2191933.00 58937.00 4793.00 - - - 76715.00 - - - 7306.00 - - - - - - 4196.00 - 13743.00 72062.00
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
937904.25 - 1224502.00 838170.00 1879374.00 1561337.00 502169.00 296688.00 257202.00 717734.00 108821.00 121033.00 - 184916.00 4130570.00 2106064.00 1956451.00 856299.00 1335010.00 2325959.00 408372.00
2-alpha-Mannobiose
133213.25 - 62267.00 244010.00 1283934.00 2027650.00 629018.00 312849.00 257594.00 226034.00 197558.00 7547.00 18250.00 24988.00 112833.00 10099.00 50243.00 32916.00 54412.00 56474.00 59319.00
2-Amino-3-methoxybenzoic acid
9716.75 175615.00 - 29907.00 27602.00 51629.00 12910.00 12352.00 9969.00 4532.00 - - 132923.00 - - 10373.00 63707.00 - - 1404.00 10950.00
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid
80274.25 - 5512.00 24718.00 103467.00 39276.00 - - - 927710.00 759767.00 96279.00 - 162436.00 - - - - - - -
2^-O-Methylguanosine
2204527.75 4591.00 2957376.00 2959371.00 2785073.00 3460552.00 1719807.00 2774629.00 3242769.00 345982.00 687379.00 493738.00 13100.00 2492018.00 747583.00 2035046.00 1437395.00 2654054.00 4365628.00 3677276.00 2040520.00
(2R)-3-Hydroxyisovaleroylcarnitine
70528.00 - - 29400.00 - 18779.00 8837.00 - 10675.00 722790.00 530586.00 11195.00 - - - - - - - 14917.00 8676.00
3,4-Dihydroxyphenylalanine (DOPA)
17104.75 - - 5112.00 28952.00 81794.00 8936.00 6022.00 6547.00 - - - - - - 9583.00 - - - - -
3-Amino-3-(4-hydroxyphenyl)propionic acid
74121.50 - 23079.00 42641.00 1694.00 25963.00 63749.00 45149.00 53392.00 - 4824.00 - - 4196.00 - 527208.00 1385105.00 551440.00 776772.00 28127.00 8824.00
3-Aminophenol
563038.25 3041827.00 1253818.00 944033.00 867962.00 993978.00 470554.00 1159155.00 953898.00 226997.00 272346.00 208799.00 1286339.00 666598.00 19467.00 14991.00 1272226.00 1746089.00 2142256.00 1895504.00 1280606.00
3-Cyclohexyl-1,1-dimethylurea
781394.75 431559.00 1512326.00 465851.00 508046.00 958113.00 404495.00 1018899.00 842083.00 880811.00 408600.00 1092495.00 547002.00 2613393.00 568146.00 408234.00 613340.00 770688.00 1403616.00 373325.00 587600.00
3-Cysteinylacetaminophen
2710699.75 - 11883009.00 15179478.00 19369922.00 18120170.00 5745346.00 6746686.00 16931836.00 5710963.00 2698731.00 653548.00 - 2068960.00 - - - 236981.00 1433927.00 4766004.00 3544581.00
3-cysteinylacetaminophen glucuronide
17606.00 - 110220.00 202201.00 555857.00 518405.00 141478.00 249686.00 507360.00 182780.00 42499.00 - - 61985.00 - - 9157.00 - - - -
3-Hydroxybutyrylcarnitine
142608.50 61934.00 22141.00 78780.00 202140.00 141538.00 69702.00 17242.00 49650.00 847018.00 494355.00 17354.00 80156.00 49408.00 54826.00 46292.00 - 8225.00 7649.00 103376.00 4028.00
3-Indoleacetic acid
8390.00 321242.00 - - 5240.00 7074.00 - 7389.00 - - - - 87057.00 - - 4467.00 - - - 7125.00 -
3-Methylcytidine
157170.50 - 194457.00 183735.00 194965.00 267705.00 104577.00 138476.00 192248.00 52956.00 18237.00 14778.00 - 203397.00 - 151308.00 90531.00 225723.00 442865.00 290122.00 185194.00
3^-O-Methylcytidine
336040.75 - 68056.00 195579.00 672048.00 822916.00 313477.00 151371.00 281015.00 18529.00 6232.00 - 6859.00 107218.00 - 113864.00 419516.00 903711.00 1817858.00 278639.00 128737.00
4,5,7-Trihydroxyisoflavone
27135.75 - 135098.00 166863.00 81490.00 56417.00 7552.00 14908.00 85438.00 - - - - - - - - - - 141758.00 160390.00
4,6-Diamino-5-formamidopyrimidine
54661.25 - - - 79809.00 86225.00 46589.00 20470.00 19717.00 6052.00 11202.00 - - - - 21521.00 146621.00 130491.00 118016.00 53702.00 5401.00
4-Acetamidobutyric acid
522453.50 105682.00 461686.00 811883.00 1595726.00 1518353.00 773960.00 456753.00 441884.00 400341.00 317602.00 158673.00 91339.00 317137.00 184587.00 428910.00 138954.00 242964.00 338774.00 1342443.00 435408.00
(4-Aminobutyl)guanidine
381398.50 104805.00 43686.00 278165.00 2559097.00 2571790.00 1307134.00 180477.00 219281.00 - - 13288.00 87195.00 97629.00 36931.00 157290.00 87355.00 93292.00 146186.00 151892.00 40597.00
4-Aminophenol
1883988.50 18328.00 1092822.00 1979946.00 2867085.00 3183503.00 2685178.00 2224000.00 2611775.00 306048.00 216209.00 104908.00 53292.00 208905.00 444472.00 1770989.00 9764808.00 1521265.00 470063.00 978397.00 901656.00
4-Guanidinobutyric acid
5256.33 - 6018.00 6676.00 9364.00 5480.00 6826.00 1177.00 1002.00 - 4814.00 - - 4536.00 - - - - - 6234.00 -
4-Hydroxynonenal
291059.50 232867.00 1112840.00 186117.00 269817.00 223430.00 244556.00 225637.00 121792.00 121953.00 438362.00 175633.00 154944.00 2547606.00 231690.00 136652.00 204310.00 410508.00 301752.00 258137.00 162486.00
4-Methyl-5-thiazoleethanol
5904.50 114707.00 - - - - - - - - - - 19563.00 - - 13954.00 19416.00 - - - -
4-Methylumbelliferone
16797.00 - 6079.00 16096.00 21364.00 34861.00 55850.00 20975.00 31571.00 5640.00 - 4917.00 4727.00 - - 4143.00 - - - 14656.00 6802.00
5,6-Dihydrouracil
24790.25 47303.00 14619.00 21351.00 24468.00 43902.00 17660.00 13546.00 30392.00 16846.00 9074.00 15779.00 25650.00 5460.00 14346.00 8722.00 5783.00 15021.00 16436.00 79156.00 32628.00
5-Hydroxytryptophan
10430.00 - - - 43414.00 129207.00 45932.00 15275.00 - 9608.00 15302.00 - - - - - - - - - -
5-Methylcytidine
234535.50 - 12476.00 119022.00 331018.00 271713.00 40167.00 30006.00 38208.00 - - - - - 26608.00 180169.00 29199.00 144029.00 495266.00 103409.00 15296.00
5-Methylcytosine
724205.75 - 53197.00 281226.00 2483831.00 2219351.00 619417.00 1184014.00 689485.00 12784.00 - - - 69764.00 4576.00 19495.00 48079.00 59386.00 376988.00 191292.00 113428.00
5^-Methylthioadenosine
508055.50 6712.00 591896.00 579897.00 682332.00 745105.00 185026.00 323934.00 506923.00 307821.00 111299.00 42076.00 - 589171.00 479314.00 676765.00 858631.00 200217.00 239472.00 431969.00 443978.00
6-Aminopyridine-3-carboxamide
1534172.50 3444053.00 427049.00 384524.00 525756.00 396972.00 342644.00 3493632.00 595468.00 230698.00 3491382.00 528224.00 1029129.00 762171.00 484825.00 272366.00 1676916.00 355087.00 431978.00 1667051.00 461463.00
7-Methylguanosine
188029.25 - 532572.00 456922.00 265117.00 296567.00 175833.00 200472.00 280808.00 273516.00 118044.00 61892.00 - 220432.00 36986.00 241379.00 19986.00 100149.00 121849.00 645210.00 175628.00
9-Oxo-10E,12Z-octadecadienoic acid
504520.75 8164.00 254498.00 1116867.00 332806.00 537095.00 448964.00 376187.00 121273.00 13684.00 15928.00 21592.00 19180.00 34095.00 1032235.00 541145.00 56031.00 77627.00 159420.00 1209278.00 553181.00
Acetaminophen
31063411.50 117494.00 7880945.00 7467444.00 5804188.00 4516410.00 4006935.00 2989520.00 3656716.00 2679636.00 2145378.00 1447473.00 49610.00 1578337.00 98505.00 84729.00 478348576.00 68653648.00 13931169.00 9260375.00 6997485.00
Acetylcarnitine
18611487.50 2813593.00 7346076.00 15919717.00 28960642.00 17628038.00 9772665.00 7946189.00 8988967.00 138149712.00 83777168.00 5389560.00 4599355.00 7646569.00 17153528.00 9480126.00 4916461.00 2162428.00 3055522.00 18192176.00 4853195.00
Acetylcholine
637523.00 703723.00 177576.00 330223.00 995887.00 754427.00 376485.00 268536.00 226487.00 3192136.00 1737708.00 157477.00 906295.00 214305.00 456244.00 317569.00 270422.00 115318.00 136678.00 728379.00 165440.00
Adenosine
35755.75 617554.00 33495.00 19055.00 - 15767.00 28107.00 26088.00 - 8458.00 10767.00 - 309694.00 36685.00 40565.00 101441.00 494012.00 81888.00 200511.00 13414.00 133955.00
Ala-Asn
912006.00 - 1191281.00 1279968.00 4259302.00 3112498.00 777049.00 881869.00 1166727.00 267804.00 151324.00 132330.00 10497.00 305736.00 2272106.00 1837070.00 145769.00 180659.00 568537.00 1439544.00 808017.00
Ala-Gln
1223559.75 - 1102599.00 1252876.00 8567436.00 4638173.00 983425.00 1592525.00 1437923.00 1107661.00 381917.00 199309.00 15149.00 441506.00 643425.00 1513149.00 450573.00 236429.00 561311.00 1769756.00 593223.00
Ala-Ile
682982.75 38008.00 738743.00 751398.00 2869349.00 1887598.00 605888.00 742597.00 780677.00 471220.00 291738.00 258379.00 107075.00 384327.00 1078988.00 925338.00 247152.00 211392.00 646028.00 1095400.00 461870.00
Ala-Ile-Lys
104830.00 - 66175.00 99116.00 316610.00 270176.00 48345.00 61688.00 114298.00 105744.00 125642.00 - 19974.00 - 204132.00 137714.00 253061.00 40582.00 90234.00 108642.00 16002.00
Ala-Leu-Lys
318545.50 57105.00 36255.00 24989.00 141379.00 184884.00 26088.00 113090.00 107932.00 63249.00 104047.00 - 156064.00 - 270957.00 40896.00 1219846.00 6619.00 39172.00 113474.00 19340.00
Ala-Lys
1771819.75 137383.00 866651.00 1317822.00 6508240.00 3985104.00 1522261.00 1861792.00 2113656.00 1084890.00 828130.00 178271.00 979804.00 352586.00 1204650.00 2326911.00 1475861.00 764030.00 1384385.00 2376297.00 860074.00
Alanine
5307752.50 310401.00 4268018.00 4230496.00 20017402.00 12095277.00 3032572.00 3850656.00 4767548.00 3329383.00 1911812.00 1302750.00 759536.00 3369161.00 7133106.00 6011802.00 2163483.00 1282033.00 3411890.00 5976714.00 3255290.00
Ala-Pro
1208932.25 - 630526.00 674340.00 6537761.00 3696347.00 716415.00 1372975.00 1194252.00 678497.00 317640.00 36437.00 - 291113.00 4937490.00 1105780.00 57367.00 89641.00 724362.00 772849.00 353115.00
Ala-Pro-Lys
237334.75 - 216991.00 229424.00 920923.00 742497.00 390029.00 127810.00 329260.00 1355786.00 165156.00 90709.00 25735.00 149335.00 286587.00 299204.00 98724.00 100163.00 229582.00 287802.00 151083.00
Ala-Thr
869474.25 - 941068.00 861157.00 2757777.00 2086099.00 644253.00 988465.00 1039649.00 753434.00 366393.00 499672.00 50044.00 695540.00 1165252.00 1420980.00 400385.00 241464.00 629774.00 1361422.00 537312.00
Ala-Trp
255034.25 - 444930.00 410117.00 1287529.00 1053814.00 347603.00 564482.00 593884.00 177502.00 125548.00 198825.00 - 239840.00 235628.00 430308.00 7332.00 41197.00 119633.00 391030.00 227829.00
alpha-Galactosamine-1-phosphate
238996.25 - 61140.00 126933.00 168470.00 118682.00 59333.00 24456.00 70109.00 1857244.00 1022146.00 18864.00 - 56890.00 7316.00 43255.00 6501.00 15156.00 54068.00 147772.00 12126.00
alpha-L-Asp-L-Lys
398302.25 129704.00 110761.00 149267.00 1045857.00 862841.00 218077.00 274916.00 194778.00 1991223.00 264091.00 81117.00 175764.00 228650.00 473886.00 315536.00 258362.00 228099.00 455655.00 471617.00 111211.00
Androstan-3-ol-17-one 3-glucuronide
276533.75 - 996328.00 761407.00 444566.00 449478.00 184096.00 309436.00 722460.00 182998.00 96961.00 14004.00 - 115240.00 491204.00 426110.00 197473.00 136407.00 274380.00 304027.00 206730.00
Androstane-3,17-diol, (3.alpha.,5.alpha.,17.beta.)-
148083.50 - 435248.00 445341.00 287337.00 249017.00 96030.00 159995.00 367465.00 130169.00 53983.00 - - 40508.00 222193.00 244784.00 86536.00 49137.00 85599.00 146759.00 123748.00
Anserine
401559.25 - - - - - - - - - - - - - 10345.00 - - - - - -
Arg-Ala
5378023.00 428929.00 1488976.00 1535924.00 9673651.00 6885472.00 3250478.00 3503037.00 5498415.00 3965497.00 4390487.00 401371.00 1823817.00 494133.00 2085436.00 4245668.00 13112746.00 5205990.00 7163130.00 4527808.00 1480552.00
Arg-Asn
824744.75 - 475981.00 400964.00 2624168.00 1913851.00 526656.00 695858.00 968302.00 469422.00 182795.00 18320.00 72202.00 42084.00 1627487.00 1550162.00 590108.00 409973.00 697071.00 1251845.00 438124.00
Arg-Gln
605535.75 - 140287.00 144064.00 974960.00 658239.00 207683.00 337093.00 161087.00 422802.00 168746.00 106725.00 - 29730.00 39879.00 919395.00 971577.00 478219.00 1039477.00 522124.00 91849.00
Arg-Gly
1028368.25 117780.00 209641.00 236186.00 4008133.00 2798533.00 792661.00 784008.00 661900.00 358889.00 206991.00 20867.00 326601.00 217401.00 1804708.00 1952645.00 1919180.00 1288921.00 2394771.00 1205150.00 220055.00
Arginine
128165494.00 2199450.00 142744080.00 140622624.00 342844576.00 252247648.00 119976120.00 139295680.00 147338960.00 103280744.00 61800840.00 49228612.00 24109854.00 77761568.00 176653600.00 175052960.00 104575016.00 73291904.00 115882624.00 168342448.00 106945384.00
Arg-Leu
2679819.75 417826.00 1910791.00 931333.00 2588420.00 1943138.00 1518943.00 1730837.00 1806874.00 1711568.00 818401.00 315932.00 736587.00 606659.00 3880826.00 4154869.00 7875298.00 2735091.00 6351616.00 5532031.00 1406247.00
Arg-Met
192892.75 - 222669.00 178820.00 552286.00 377214.00 100540.00 386537.00 353959.00 108728.00 34703.00 - - - 209830.00 490027.00 195097.00 57939.00 168115.00 403228.00 114383.00
Arg-Phe
789060.75 99125.00 560630.00 384263.00 848564.00 599767.00 438502.00 999582.00 923810.00 340981.00 186339.00 292662.00 190010.00 234135.00 779240.00 636479.00 3312656.00 971352.00 1352189.00 1515537.00 467876.00
Arg-Pro
3523995.75 18205.00 2003730.00 3645512.00 20886188.00 13582009.00 4086816.00 4412787.00 5223316.00 1574086.00 780372.00 117281.00 114583.00 879367.00 1234529.00 1611766.00 734099.00 1135946.00 2387762.00 3013751.00 968383.00
Arg-Trp
923692.50 - 2132164.00 708658.00 445437.00 429278.00 469198.00 474777.00 901994.00 983415.00 1293928.00 333466.00 69716.00 194750.00 3166388.00 1612277.00 470764.00 308194.00 441758.00 1237144.00 875686.00
Arg-Val
1973182.00 41108.00 1139885.00 836820.00 3117278.00 2202496.00 1214595.00 1262165.00 1505572.00 1212398.00 471395.00 90133.00 250380.00 332617.00 1642570.00 2791083.00 1872681.00 1238146.00 2585603.00 3421894.00 871053.00
Asn-Ala
2442806.75 - 1329314.00 1513693.00 10377217.00 5222916.00 1893389.00 1724485.00 2827742.00 4195160.00 3368574.00 423798.00 249506.00 541409.00 6277050.00 3844110.00 1613613.00 715149.00 2119342.00 2723515.00 879856.00
Asn-Arg
647535.75 - 111757.00 114275.00 776085.00 485444.00 334279.00 438205.00 494654.00 1007290.00 490250.00 57121.00 59108.00 12397.00 81601.00 664447.00 968952.00 641372.00 1033864.00 515136.00 127984.00
Asn-Asn
350979.25 - 365266.00 381162.00 1217883.00 780410.00 273893.00 269627.00 454398.00 125065.00 74840.00 14949.00 12602.00 161096.00 597805.00 576822.00 23686.00 64209.00 233700.00 379591.00 156074.00
Asn-Gln
1528296.25 - 811460.00 871808.00 2691483.00 1967202.00 722618.00 1172087.00 1065302.00 1851905.00 644087.00 142227.00 92166.00 487674.00 1360872.00 2478026.00 1187088.00 841743.00 2887095.00 1378754.00 681357.00
Asn-Gly
422601.00 5903.00 247915.00 229388.00 996326.00 719375.00 236177.00 352364.00 335395.00 150318.00 93656.00 68310.00 31266.00 221942.00 1133338.00 767167.00 63725.00 140442.00 387169.00 567880.00 279763.00
Asn-Pro
1247240.00 - 311325.00 570117.00 6756864.00 4285000.00 772791.00 967691.00 1145860.00 757372.00 363142.00 33751.00 - 299022.00 412944.00 904901.00 97164.00 196837.00 1183523.00 548113.00 113099.00
Asn-Pro-Lys
656464.00 - 720510.00 837267.00 4890663.00 3607144.00 846573.00 522673.00 876729.00 774336.00 282392.00 - - 18652.00 3017756.00 798661.00 42559.00 6704.00 121074.00 1094939.00 381013.00
Asn-Ser
746018.25 - 800073.00 649614.00 2957206.00 1707084.00 715943.00 744965.00 1170822.00 501762.00 259669.00 89398.00 109809.00 264268.00 2413859.00 1181176.00 183636.00 289643.00 1087207.00 1109432.00 612322.00
Asn-Thr
985836.50 42911.00 1070469.00 842620.00 4134148.00 2644102.00 742537.00 1028662.00 1528704.00 1041121.00 321603.00 146049.00 73470.00 423999.00 2310968.00 1759439.00 313093.00 257813.00 729776.00 1537231.00 714210.00
Asn-Val
3217957.00 1025455.00 4721238.00 4350924.00 11479218.00 6983328.00 3587410.00 3031515.00 5967840.00 2026016.00 1686074.00 1148703.00 1143461.00 1481331.00 5568669.00 7632732.00 1625691.00 1312384.00 2260557.00 6508872.00 2874718.00
Asp-Arg
502987.00 - 102062.00 174636.00 2037336.00 1605844.00 325395.00 289890.00 285637.00 192347.00 37470.00 28339.00 39449.00 100605.00 670705.00 949644.00 1068445.00 1302294.00 2231896.00 2044564.00 116423.00
Asp-Glu
159407.50 - 136587.00 54818.00 645807.00 467610.00 75258.00 196755.00 129848.00 892684.00 53125.00 16609.00 17161.00 104442.00 52582.00 178109.00 97800.00 82742.00 173318.00 270462.00 128517.00
Asp-His
68005.00 - 40733.00 35493.00 381415.00 319678.00 44417.00 78388.00 46228.00 15022.00 - - - 17056.00 90549.00 60154.00 8970.00 44388.00 78760.00 77885.00 75195.00
Asp-Leu
1232138.00 75553.00 1590610.00 1360358.00 4401596.00 3072465.00 886886.00 976476.00 1256314.00 700877.00 485026.00 447251.00 186752.00 746898.00 3955006.00 2368772.00 333132.00 234049.00 798255.00 1985353.00 1143076.00
Asp-phe
761540.00 - 758122.00 658815.00 2617054.00 1833097.00 485138.00 870053.00 688480.00 268377.00 283728.00 128383.00 88317.00 328993.00 2200521.00 1384060.00 134221.00 119871.00 369827.00 920487.00 697802.00
Asp-Ser
270220.00 - 323367.00 222349.00 993218.00 781044.00 236006.00 371488.00 454840.00 65165.00 77473.00 20428.00 - 165718.00 281006.00 282281.00 38307.00 127491.00 255989.00 387197.00 273182.00
Asp-Val
1856962.25 582119.00 2102887.00 1822191.00 10046932.00 6620156.00 1462166.00 2234021.00 2510173.00 794488.00 800396.00 626595.00 704660.00 1165264.00 3288732.00 3245046.00 637630.00 600611.00 1028844.00 3087890.00 1619206.00
Betaine or valine
100200510.00 11297146.00 34960444.00 55339452.00 495756896.00 229993152.00 75843920.00 50439492.00 35651944.00 69190992.00 30981796.00 25579784.00 14306320.00 29975798.00 38651272.00 26476410.00 34162016.00 16286850.00 16915876.00 149222896.00 38638304.00
Cadaverine
724399.50 473544.00 92601.00 281874.00 362932.00 350676.00 283661.00 182502.00 310580.00 6329152.00 5314842.00 862574.00 537203.00 1645292.00 130683.00 140761.00 137576.00 177489.00 191306.00 170688.00 88830.00
Caffeine
11835684.75 21745584.00 11686517.00 12005744.00 15999651.00 18407776.00 14235761.00 14949340.00 15754356.00 10343371.00 9807298.00 7158774.00 12382503.00 8019270.00 9132746.00 10836394.00 7130904.00 7259092.00 7070544.00 20944828.00 8854890.00
Carnitine
8753231.25 2347096.00 2047612.00 3984976.00 10579656.00 9233979.00 4198536.00 1420592.00 1514703.00 54424816.00 37612044.00 1846300.00 3690600.00 1673138.00 16898534.00 5531492.00 3088534.00 1742846.00 2120761.00 8012700.00 1119082.00
Carnosine
2924613.00 7465.00 2905625.00 3587545.00 11871979.00 7266296.00 3012556.00 3006438.00 5131000.00 1840362.00 597334.00 335543.00 78832.00 992558.00 4929934.00 5211662.00 349540.00 334842.00 1071788.00 4340096.00 1506693.00
cis-4-Hydroxycyclohexanecarboxylic acid
97849.25 56067.00 47646.00 47802.00 205247.00 182792.00 79013.00 32800.00 33784.00 6562.00 17983.00 5561.00 7760.00 - 25052.00 32342.00 15511.00 19612.00 6774.00 1017250.00 28131.00
Citrulline
2610182.50 356890.00 1316550.00 1455516.00 9524497.00 10184952.00 3458828.00 1930874.00 2468532.00 9113957.00 3207199.00 254466.00 792460.00 1756326.00 1901302.00 4117290.00 7573257.00 2077203.00 4868922.00 4995225.00 491238.00
Coniferylaldehyde
37155.50 5617.00 31602.00 128810.00 129740.00 137195.00 96215.00 96561.00 82998.00 4772.00 - - 4696.00 6081.00 9042.00 25960.00 4305.00 9411.00 7373.00 12598.00 14781.00
Corticosterone
11095.25 - 9456.00 10933.00 9714.00 9712.00 - 11673.00 - - - 64419.00 4806.00 47620.00 10880.00 - - 7573.00 5100.00 - -
Creatine
75354538.00 8314219.00 34071960.00 71716304.00 225766192.00 175099200.00 59194940.00 64199928.00 48094724.00 121536584.00 55467492.00 24843478.00 14868584.00 53937484.00 75190104.00 56054392.00 36144076.00 17431838.00 26171452.00 105686744.00 52131316.00
Creatinine
343212280.00 21325172.00 302128032.00 328888000.00 419819328.00 403641408.00 292151168.00 326301568.00 409724960.00 323144160.00 323579104.00 215415296.00 49029796.00 326293984.00 165773392.00 261060464.00 145003824.00 218115920.00 251912224.00 349951616.00 213351984.00
Cyclohexanamine
446988.00 440851.00 756074.00 193254.00 293335.00 513493.00 354843.00 487767.00 379463.00 390797.00 254721.00 707591.00 432769.00 1195567.00 222455.00 201552.00 313480.00 406347.00 692677.00 253229.00 260145.00
Cyclo(Leu-Pro)
109456.00 257213.00 97480.00 111747.00 102020.00 140874.00 81912.00 110102.00 125872.00 124366.00 140131.00 102950.00 174509.00 123989.00 89042.00 84606.00 108938.00 100509.00 89710.00 171613.00 88431.00
Cystine
1174166.25 373020.00 529071.00 920281.00 3675876.00 2889088.00 652117.00 903491.00 861247.00 1089750.00 417541.00 156115.00 94428.00 1369070.00 472622.00 294110.00 28456.00 21294.00 132101.00 589380.00 291911.00
Cytidine
1292583.75 73010.00 481534.00 397376.00 3757531.00 2727192.00 707895.00 868734.00 1074036.00 160617.00 93182.00 93261.00 61262.00 133925.00 1197098.00 3894281.00 1651308.00 2071804.00 5408634.00 1419256.00 279304.00
Cytosine
2427205.50 8091.00 917222.00 1098978.00 7725604.00 6176916.00 2316764.00 4545938.00 2712508.00 280469.00 318279.00 63599.00 19485.00 1121473.00 39487.00 545754.00 212375.00 219845.00 1693806.00 4783800.00 2623128.00
Dexpanthenol
63879.50 23133.00 7956.00 10333.00 27791.00 20996.00 19661.00 212690.00 109032.00 7288.00 220022.00 44211.00 27375.00 62711.00 18641.00 7149.00 91772.00 16455.00 61009.00 140113.00 52464.00
Disaccharide1
312794.00 263947.00 189526.00 365159.00 110884.00 177791.00 150049.00 55022.00 29055.00 - 11426.00 - 27491.00 - - 352325.00 395511.00 98366.00 259272.00 342409.00 117749.00
Disaccharide4
28134320.50 33032226.00 13449555.00 24501016.00 10234275.00 10586730.00 9575324.00 3795276.00 6864448.00 502258.00 1015672.00 176613.00 32288292.00 1345999.00 10382352.00 26695400.00 27047446.00 25764044.00 9145396.00 26030224.00 10546558.00
Disaccharide5
20134843.00 1307457.00 2420421.00 10534942.00 61817780.00 20905746.00 2928529.00 1329928.00 1182188.00 138000976.00 120625880.00 9609290.00 746004.00 9627491.00 109242.00 1939740.00 6822904.00 705509.00 610574.00 4709805.00 1901459.00
Disaccharide6
13814256.75 7220.00 448006.00 4411396.00 4538125.00 1814323.00 496525.00 38916.00 6661.00 107113160.00 92822696.00 7089238.00 - 7544352.00 - - - - - 2516648.00 196244.00
Disaccharide7
2544783.00 7481610.00 1279395.00 2823165.00 733226.00 511097.00 435424.00 392467.00 396708.00 11126857.00 12906235.00 5358107.00 2793820.00 4662084.00 - 1248241.00 2850429.00 2600867.00 2192412.00 1418504.00 1257542.00
Disaccharide8
889599.75 15042.00 607881.00 2621341.00 4614151.00 3439019.00 526245.00 209312.00 154886.00 3771001.00 5522088.00 1428153.00 4887.00 1672507.00 - 36978.00 91176.00 89553.00 75104.00 393394.00 451750.00
Ethanolamine
2350650.25 346690.00 2222234.00 2838064.00 3121640.00 4052089.00 2525400.00 1021222.00 1158544.00 2833945.00 3227840.00 1579907.00 512321.00 2847101.00 1044850.00 2358003.00 2140075.00 2373822.00 2900324.00 3239826.00 1052825.00
Galactinol
121649.00 - 67912.00 186998.00 658585.00 769185.00 335225.00 184415.00 135506.00 289982.00 295092.00 37342.00 - 7199.00 - 74593.00 165152.00 158778.00 199850.00 182800.00 38042.00
Galacto/Lacto-N-biose
216164.00 - 33077.00 103690.00 - - - 8864.00 10252.00 3239397.00 3796678.00 1167224.00 10019.00 1282352.00 - - 7430.00 6153.00 - 7994.00 27908.00
gamma-aminobutyric acid
227009.50 196592.00 99280.00 84159.00 201776.00 140619.00 96297.00 62851.00 35853.00 70648.00 86911.00 61171.00 124673.00 70815.00 128731.00 232353.00 483243.00 131015.00 89239.00 153792.00 60120.00
gamma-Glutamylleucine
427053.50 47525.00 60949.00 225301.00 2691365.00 190983.00 200072.00 37679.00 64921.00 458287.00 218986.00 63032.00 46375.00 222844.00 327276.00 444455.00 65526.00 207813.00 935066.00 425362.00 209664.00
Gln-Ala
10067823.25 306898.00 7116512.00 6174590.00 34363624.00 18147824.00 8769341.00 9306653.00 12102476.00 11466188.00 3674954.00 4388713.00 887760.00 4848214.00 15124229.00 14158196.00 5893164.00 2736057.00 4839306.00 12859052.00 6371024.00
Gln-Arg
300870.75 - 7098.00 21134.00 410984.00 271981.00 207683.00 216085.00 161087.00 422802.00 - 106725.00 - 62432.00 23700.00 88978.00 990586.00 190204.00 281450.00 185588.00 -
Gln-Gln
17686541.75 64950.00 4274026.00 15960896.00 115084976.00 71678464.00 14720437.00 7420822.00 4002080.00 7902798.00 1059368.00 278719.00 328596.00 1228402.00 1866818.00 5864352.00 1701497.00 1422524.00 3283782.00 9602241.00 1537363.00
Gln-Glu
1430224.50 5487.00 874660.00 1125485.00 10869790.00 9213735.00 1418812.00 1220531.00 1258732.00 3541366.00 445298.00 137210.00 93669.00 333323.00 1868723.00 4149052.00 1943463.00 827667.00 1801440.00 1496273.00 713632.00
Gln-Glu-Lys
9406.50 - - - 11284.00 6363.00 - - - 61240.00 - - - - 5900.00 11974.00 172040.00 9582.00 5708.00 - -
Gln-His
428566.25 - 333473.00 676010.00 9391795.00 5032467.00 547861.00 550250.00 716064.00 291758.00 99704.00 22334.00 - 86878.00 567117.00 1025476.00 575878.00 170774.00 387037.00 560492.00 106495.00
Gln-Leu-Arg
137470.00 6282.00 20150.00 4877.00 - - 7870.00 55084.00 69624.00 400367.00 156948.00 211756.00 86064.00 72317.00 438544.00 15505.00 352002.00 143541.00 110214.00 94870.00 24850.00
Gln-Pro
6449217.50 - 713215.00 7581896.00 113411224.00 59520916.00 7278214.00 1880886.00 1579487.00 2006813.00 627687.00 8102.00 - 276217.00 249762.00 1206007.00 254665.00 367329.00 914371.00 2390091.00 65702.00
Gln-Ser
2998688.25 47858.00 2919741.00 3107400.00 11217037.00 7927178.00 2418438.00 2101085.00 3372380.00 11236394.00 2107210.00 1704032.00 99430.00 984434.00 3500023.00 5212214.00 2136628.00 1434020.00 2942564.00 3234951.00 1468694.00
Gln-Thr
1362906.00 - 664538.00 965962.00 8737647.00 4496362.00 974141.00 1383478.00 1098776.00 1436406.00 551520.00 71954.00 5927.00 310925.00 812947.00 1638129.00 1464082.00 367956.00 1297996.00 1656754.00 375808.00
Gln-Tyr
689437.50 - 728435.00 668758.00 1363174.00 1022180.00 650144.00 1112736.00 1378887.00 498439.00 287389.00 54803.00 7862.00 164419.00 1025783.00 1150343.00 136987.00 256545.00 710109.00 1357492.00 405385.00
Gln-Val
2170462.25 - 2442226.00 1683238.00 10854155.00 5793056.00 2597094.00 2262644.00 4585112.00 500378.00 496307.00 196073.00 249553.00 625964.00 7157958.00 4103240.00 389651.00 393543.00 1627242.00 3481096.00 1402568.00
Glu-Ala
1471512.50 611105.00 1118638.00 864886.00 8604098.00 5947428.00 970272.00 1794432.00 1285266.00 2584459.00 429578.00 390791.00 748809.00 1006223.00 2299516.00 2117669.00 775026.00 441479.00 1442857.00 2093484.00 1203298.00
Glu-Ile
605264.50 35208.00 766714.00 921491.00 3062900.00 2014252.00 621217.00 671380.00 1056044.00 433291.00 223334.00 160697.00 54784.00 404418.00 1183327.00 1162718.00 131518.00 126355.00 386627.00 1015522.00 513171.00
Glu-Ile-Lys
226287.75 14637.00 9652.00 - 375115.00 215218.00 277770.00 283642.00 508447.00 149361.00 28566.00 - 28511.00 29426.00 15478.00 81762.00 326203.00 234273.00 1462204.00 156235.00 8717.00
Glu-Leu
389142.50 35208.00 766714.00 278425.00 1454061.00 949639.00 621217.00 671380.00 294251.00 523177.00 176110.00 160697.00 54784.00 246771.00 749886.00 538121.00 83820.00 78709.00 202023.00 532162.00 326474.00
Glu-Phe
325024.25 - 267764.00 207473.00 1592830.00 959851.00 231254.00 487155.00 328117.00 161907.00 70410.00 138948.00 70556.00 269090.00 497051.00 469308.00 113832.00 90683.00 348746.00 481604.00 277844.00
Glu-Pro
463871.50 - 112607.00 244871.00 1576100.00 1188484.00 226660.00 493069.00 440132.00 1589785.00 354804.00 47088.00 - 306117.00 25121.00 201189.00 86030.00 75514.00 359780.00 183155.00 46371.00
Glu-Ser
642309.00 - 403903.00 362853.00 1725742.00 1216623.00 331574.00 503170.00 474284.00 1291995.00 298084.00 154486.00 102653.00 457332.00 1215706.00 801524.00 161875.00 168026.00 525151.00 680979.00 398778.00
Glutamic acid
8551488.00 997028.00 3404197.00 3175272.00 27473272.00 14975663.00 2756363.00 3741131.00 3964666.00 62541068.00 5203290.00 1659459.00 969200.00 5521102.00 2149595.00 4424476.00 4877658.00 2187062.00 5868494.00 5645070.00 2313400.00
Glutamine
33596319.50 882244.00 24437862.00 40058360.00 217173168.00 123372176.00 30076720.00 25835104.00 28321030.00 12563371.00 6496181.00 3646194.00 2671355.00 13807182.00 9387998.00 22800716.00 4201148.00 6457776.00 20863930.00 33598816.00 13822129.00
Glu-Thr
717537.25 - 730911.00 635876.00 2438940.00 1801170.00 397488.00 689862.00 725083.00 972108.00 241989.00 210568.00 59984.00 528552.00 1644096.00 1454110.00 428472.00 226125.00 604629.00 1027853.00 449160.00
Glu-Val
2091217.25 - 1731610.00 1599598.00 14265759.00 7846352.00 1280224.00 1859106.00 2342758.00 3166086.00 744415.00 344004.00 139416.00 1022940.00 4454871.00 2756751.00 305181.00 387700.00 1046721.00 2682827.00 1425770.00
Glu-Val-Lys
349227.50 70731.00 358940.00 464783.00 1565608.00 1713537.00 368506.00 537651.00 648490.00 299474.00 86656.00 5860.00 245917.00 108579.00 786029.00 224219.00 514737.00 134726.00 317916.00 487432.00 290020.00
Gly-Arg
903956.75 - 209641.00 164329.00 4061397.00 2004505.00 865619.00 707843.00 996670.00 374878.00 206991.00 119681.00 99866.00 217401.00 145541.00 536597.00 1487848.00 910068.00 1826586.00 658621.00 87240.00
Gly-Asn
600395.50 - 947537.00 701584.00 1698969.00 1055540.00 443259.00 479841.00 1008244.00 333291.00 242065.00 54374.00 - 277942.00 1316659.00 1117550.00 52785.00 148202.00 405457.00 813263.00 499381.00
glycerophosphocholine
176953404.00 2150596.00 50160556.00 42353052.00 196468656.00 138402560.00 32712734.00 9752688.00 17359372.00 317958368.00 173564944.00 4296731.00 6796501.00 13040370.00 1164165120.00 250779632.00 132150376.00 38837440.00 62415164.00 70222896.00 11877223.00
Glycine
1078204.25 120968.00 513728.00 793154.00 4222952.00 2752324.00 609167.00 561472.00 656240.00 1429078.00 809990.00 226193.00 326444.00 995544.00 1039700.00 748057.00 328192.00 276525.00 535446.00 1050816.00 405404.00
Glycocholic acid
490950120.00 100443.00 725395776.00 777539520.00 636903808.00 578339776.00 406277728.00 558839808.00 741033216.00 527606880.00 470653120.00 200856112.00 36872.00 446871776.00 601378496.00 583848768.00 353563456.00 308911808.00 398441152.00 469760064.00 351424320.00
Gly-His
754693.50 - 734763.00 952648.00 7561604.00 4294478.00 723835.00 753331.00 1091925.00 257989.00 151655.00 18914.00 7037.00 146034.00 1861606.00 1343785.00 76189.00 40562.00 293300.00 1142652.00 389135.00
Gly-Ile-Lys
271616.25 47822.00 136735.00 194491.00 606026.00 405252.00 222993.00 188213.00 380995.00 202430.00 144981.00 - 102973.00 18055.00 273458.00 227883.00 597142.00 152151.00 521836.00 230789.00 28205.00
Gly-Leu-Arg
161714.00 - 5312.00 - 167367.00 101859.00 87906.00 104598.00 170045.00 46040.00 16397.00 - 40887.00 58871.00 55388.00 48516.00 2050308.00 221228.00 189311.00 79050.00 -
Gly-Leu-Lys
204150.25 - 103600.00 135069.00 559522.00 457736.00 124993.00 80965.00 203399.00 31884.00 - - - - 100886.00 252343.00 480646.00 63568.00 94893.00 215094.00 21452.00
Gly-Lys
994786.25 - 445021.00 509502.00 4180790.00 2658701.00 650944.00 829994.00 979051.00 693983.00 258797.00 156953.00 32993.00 532840.00 807018.00 1348358.00 819278.00 608237.00 1496418.00 1502052.00 370548.00
Gly-Phe
164780.00 - 142608.00 119718.00 456988.00 261535.00 92459.00 98867.00 133252.00 48973.00 52095.00 - 22603.00 53937.00 326075.00 347326.00 56891.00 20719.00 112308.00 182183.00 76684.00
Gly-Pro-Arg
884522.00 - 100197.00 515637.00 5252998.00 4249794.00 1005864.00 132581.00 191211.00 678786.00 181808.00 5872.00 230253.00 14612.00 4803834.00 989170.00 582892.00 286939.00 636940.00 707973.00 49865.00
Gly-Pro-Lys
729420.00 - 343741.00 580469.00 5972615.00 3332136.00 976722.00 300354.00 359000.00 647822.00 208089.00 - 10085.00 81900.00 849471.00 1041648.00 315065.00 436044.00 1838890.00 826054.00 147924.00
Gly-Ser-Arg
54425.00 - - - - - - - - - - - 49412.00 - 8910.00 - 1794802.00 292250.00 - 457634.00 -
Gly-Thr
490482.50 - 564113.00 401425.00 3333179.00 1572717.00 335854.00 333368.00 577861.00 302661.00 268696.00 45783.00 6429.00 200426.00 1066072.00 828441.00 70730.00 65479.00 245520.00 493655.00 306216.00
Gly-val
1654063.00 10033.00 1545228.00 1268798.00 8842434.00 4889248.00 943505.00 1393177.00 1820213.00 466250.00 334631.00 199108.00 78385.00 895236.00 2930709.00 2014598.00 231062.00 205839.00 842747.00 2066270.00 986402.00
Guanine
1459156.00 1478464.00 672255.00 371205.00 2371083.00 1866518.00 527705.00 1841534.00 900916.00 110200.00 59033.00 26309.00 1882155.00 1714774.00 6574.00 86004.00 1516622.00 96832.00 353343.00 1022636.00 1136948.00
Guanosine
611738.75 - 282013.00 114852.00 935530.00 643452.00 127115.00 560245.00 353833.00 40560.00 12619.00 87007.00 - 803266.00 122134.00 726661.00 586964.00 298881.00 1192675.00 406612.00 244790.00
Heptadecasphing-4-enine
2806596.75 13992698.00 825496.00 1258288.00 1516058.00 1154040.00 1583309.00 1368101.00 2042017.00 2974991.00 4325294.00 1949122.00 9969663.00 1799567.00 419733.00 1142845.00 5384571.00 4407712.00 3347328.00 1019714.00 624122.00
Hexanoyl-L-carnitine
178583.00 29798.00 14286.00 37769.00 333994.00 226191.00 140402.00 91186.00 97129.00 446853.00 272608.00 19914.00 42863.00 42596.00 1051615.00 203018.00 153700.00 36819.00 36823.00 324342.00 27142.00
His-Ala
5559594.75 38666.00 2670663.00 3515677.00 30810560.00 21657338.00 5164894.00 4571423.00 4086643.00 6077660.00 1603456.00 1004187.00 363432.00 1299957.00 5729676.00 7265519.00 1815779.00 1690634.00 4192756.00 6154697.00 2051502.00
His-Asn
822313.00 - 155759.00 552702.00 11139493.00 5978373.00 659898.00 639223.00 576855.00 266690.00 204626.00 19132.00 5786.00 97548.00 789032.00 1001229.00 176103.00 93966.00 483539.00 394740.00 340402.00
His-Gln
1649525.50 - 444538.00 1034300.00 19634848.00 9597049.00 1078824.00 841088.00 751198.00 1282379.00 225521.00 14758.00 - 146275.00 736897.00 5005706.00 8075632.00 1262493.00 2169240.00 1267122.00 325026.00
His-Glu
491479.50 - 170961.00 152613.00 3358140.00 2694549.00 315604.00 457544.00 238367.00 296225.00 16908.00 129425.00 19784.00 241187.00 497875.00 547118.00 421739.00 185116.00 534213.00 580084.00 197941.00
His-Leu
5173318.75 106516.00 6563944.00 7102518.00 17113010.00 10209556.00 5862907.00 6811166.00 12554007.00 4379914.00 2672514.00 270732.00 568687.00 775500.00 10907457.00 12028281.00 1403393.00 739545.00 2370392.00 10571340.00 3128942.00
His-Lys
9828.00 - 7219.00 7348.00 763081.00 463354.00 24099.00 32947.00 32221.00 80238.00 6019.00 5441.00 - - - 38364.00 - 5734.00 5943.00 44093.00 14385.00
His-Phe
333519.75 - 335748.00 235770.00 1337716.00 400370.00 320112.00 419106.00 838679.00 178498.00 133738.00 75194.00 - 158159.00 604041.00 672040.00 198625.00 139622.00 337042.00 923940.00 365967.00
His-Pro-Lys
18992.67 - 24142.00 58119.00 703226.00 753149.00 231447.00 110932.00 133788.00 56101.00 - - - - 166615.00 102762.00 21546.00 9548.00 11426.00 40280.00 10563.00
His-Ser
1409678.00 - 698868.00 1086809.00 13859320.00 8628546.00 1218943.00 1113418.00 1346305.00 771954.00 445148.00 38860.00 22465.00 296233.00 993118.00 2166276.00 422105.00 312147.00 1338073.00 1395549.00 459292.00
Histamine
992792.25 490872.00 228166.00 598454.00 945508.00 1101552.00 953619.00 841901.00 2054824.00 4047290.00 4447718.00 1151465.00 566419.00 3388531.00 247356.00 533466.00 436389.00 347456.00 496340.00 468645.00 257433.00
His-Thr
366777.00 - 330086.00 437027.00 2781334.00 2661918.00 691588.00 434317.00 397678.00 202551.00 68176.00 54399.00 9114.00 184711.00 137313.00 404895.00 79419.00 134470.00 390996.00 549016.00 291387.00
Histidine
16401744.00 775238.00 16435047.00 21778012.00 88337544.00 63166184.00 15459426.00 16153069.00 21445982.00 22546106.00 6291242.00 1592913.00 1573616.00 5634298.00 20462780.00 25568594.00 4027564.00 2727699.00 9160426.00 22807352.00 9561611.00
His-Trp
376692.75 - 291608.00 367427.00 242195.00 249119.00 356196.00 397040.00 451804.00 47061.00 358708.00 - - 182855.00 13237.00 251098.00 152340.00 192955.00 820183.00 429068.00 163409.00
His-Tyr
2206071.00 23019.00 3369205.00 2692308.00 3199814.00 2292718.00 2073593.00 3153179.00 4243386.00 2070682.00 1590590.00 434546.00 116751.00 1073000.00 4697695.00 4033756.00 537248.00 552834.00 1064930.00 3459878.00 2245376.00
His-Val
10312691.75 - 13817124.00 10902947.00 24467080.00 19287264.00 9087173.00 16395239.00 19012756.00 3377874.00 1933162.00 1327426.00 350170.00 5650938.00 8200371.00 17902792.00 1785449.00 2077725.00 5753762.00 20781024.00 10454313.00
Ile-Ala-Lys
121755.25 - 7104.00 - 194598.00 69514.00 17586.00 67126.00 114090.00 - - - 10554.00 - 269957.00 57551.00 202397.00 4572.00 9744.00 134690.00 22922.00
Ile-Arg
4104109.25 - 1116306.00 1598947.00 6167878.00 2903262.00 3254098.00 1800914.00 3335931.00 753612.00 691964.00 1337466.00 483350.00 1608236.00 617827.00 3042751.00 6084240.00 2727143.00 6363112.00 3435529.00 484610.00
Ile-Asn
860111.50 - 838875.00 924708.00 3454358.00 2242193.00 597541.00 793700.00 1344597.00 505577.00 318620.00 49025.00 - 312753.00 1147372.00 1104281.00 292359.00 158848.00 557454.00 916606.00 392052.00
Ile-Asn-Lys
54432.75 - 8942.00 9801.00 187006.00 214465.00 52397.00 109730.00 82220.00 8760.00 7512.00 - - - - - 147377.00 7882.00 14416.00 20729.00 -
Ile-His
1693147.50 - 995604.00 943607.00 14482070.00 6692340.00 1018185.00 852424.00 955397.00 1502694.00 633355.00 105448.00 31056.00 411773.00 2775522.00 2205476.00 187724.00 177009.00 711742.00 1399766.00 491481.00
Ile-Pro
4765753.00 - 2410088.00 3645513.00 33087432.00 15839446.00 2278847.00 2474713.00 3016610.00 11664153.00 4904882.00 1091029.00 158087.00 2215942.00 6764399.00 4382893.00 267695.00 641429.00 2430946.00 4260285.00 1573116.00
Ile-Pro-Arg
545660.75 13000.00 289380.00 301242.00 2300722.00 1143936.00 355426.00 171080.00 451109.00 223897.00 77243.00 7777.00 100603.00 47221.00 1209726.00 1137518.00 250395.00 301963.00 732481.00 748242.00 242798.00
Ile-Pro-Ile
827374.50 11403.00 177891.00 368368.00 1748952.00 826508.00 213569.00 84407.00 62742.00 342258.00 2291552.00 9205.00 27429.00 405396.00 93662.00 223810.00 125236.00 100651.00 489941.00 308824.00 81980.00
Ile-Trp
864565.50 117581.00 838038.00 620611.00 1525640.00 962662.00 802457.00 744291.00 1236704.00 1861117.00 701673.00 58395.00 344733.00 364130.00 650868.00 659586.00 127455.00 126459.00 647714.00 1013335.00 583508.00
Ile-Tyr
236320.75 - 435751.00 253900.00 466964.00 420398.00 240003.00 294991.00 396946.00 125920.00 109103.00 30323.00 11482.00 129371.00 587709.00 353051.00 10030.00 61452.00 197845.00 265980.00 238169.00
Imidazole
4546891.50 23665340.00 1446865.00 1611470.00 3471517.00 3879593.00 3026204.00 2498325.00 2443014.00 1727568.00 3847629.00 2803245.00 19789028.00 3381788.00 1382208.00 2616682.00 10070067.00 6596620.00 4768482.00 6316708.00 3805988.00
Indole-3-carboxylic acid
737735.50 - 245893.00 1169188.00 1606162.00 1340776.00 259080.00 80222.00 106092.00 5001717.00 4866295.00 1492451.00 - 1444239.00 32919.00 - - - - 335487.00 250895.00
Inosine
747838.75 4851.00 76189.00 21765.00 684761.00 492846.00 159112.00 498071.00 143972.00 62413.00 51230.00 566937.00 5738.00 1021553.00 576976.00 804035.00 1859697.00 497173.00 1137506.00 814113.00 282387.00
Isoleucine
26442216.00 163517.00 19860026.00 18294042.00 107865640.00 58156724.00 13676089.00 14879744.00 21724088.00 16162980.00 6336790.00 2163728.00 1433350.00 10741722.00 46830568.00 34772476.00 3121505.00 4756434.00 19383304.00 28590362.00 13168347.00
Isorhamnetin-3-O-rutinoside
156699.75 - 7108.00 - - 7580.00 - 4287.00 - - - - - - - 478373.00 1214058.00 1257856.00 1449775.00 1065019.00 65779.00
Isovaleryl-L-carnitine
1078137.75 174374.00 47908.00 451249.00 536981.00 309231.00 156660.00 91938.00 64865.00 12833473.00 9805930.00 479742.00 169241.00 304982.00 410676.00 166183.00 147022.00 47616.00 80491.00 334986.00 50443.00
Lacto-N-triaose
194550.50 - 22865.00 160078.00 243640.00 182609.00 5341.00 - - 2082753.00 2160742.00 351034.00 - 397924.00 28731.00 - - - - 6352.00 9629.00
Leu-Arg
2861376.25 67576.00 1330056.00 669011.00 1256916.00 1128005.00 724865.00 1355263.00 1067715.00 1397048.00 1642114.00 476296.00 794510.00 521226.00 1345953.00 3448147.00 9975908.00 3861418.00 5341016.00 4252716.00 1672184.00
Leu-Gln
1118429.25 179290.00 722616.00 971498.00 10593861.00 4167477.00 957024.00 1092060.00 1060148.00 770077.00 291990.00 268092.00 194249.00 479982.00 726601.00 914950.00 574976.00 369072.00 1424198.00 1074610.00 424192.00
Leu-Glu
781778.75 75385.00 647013.00 506664.00 6334286.00 3432056.00 614245.00 748209.00 820301.00 866827.00 328490.00 462180.00 119646.00 560984.00 825800.00 1112058.00 370965.00 255298.00 870732.00 1190602.00 488362.00
Leu-Leu-Arg
226742.00 - 10879.00 - 329690.00 159148.00 106686.00 236603.00 318004.00 16125.00 6254.00 - 151946.00 11010.00 466599.00 141295.00 532549.00 159874.00 378601.00 211258.00 13917.00
Leu-Leu-Lys
97517.25 197836.00 - - 9762.00 - - - 13038.00 - - - 565815.00 - 68284.00 10590.00 675614.00 35328.00 6855.00 20465.00 -
Leu-Lys
1160691.00 - 212877.00 248151.00 1105115.00 657755.00 377594.00 354688.00 403151.00 626013.00 346075.00 380472.00 77636.00 333313.00 507163.00 536717.00 709763.00 332258.00 841643.00 801032.00 137854.00
Leu-Phe
2460885.25 147387.00 2350458.00 2665798.00 5848760.00 4139172.00 2371397.00 3030773.00 3136219.00 1068411.00 1103056.00 319152.00 331706.00 1169296.00 4677924.00 3278962.00 1652357.00 1068467.00 4897412.00 3388897.00 1727546.00
Leu-Pro
2787810.50 7041.00 1092109.00 2469068.00 24432084.00 19413698.00 6353813.00 3498206.00 3431981.00 1289241.00 443744.00 63514.00 21478.00 295854.00 493079.00 1225758.00 922588.00 880289.00 1530089.00 1725790.00 681361.00
Leu-Tyr
139610.00 - 193508.00 94749.00 331041.00 229057.00 153617.00 147222.00 258134.00 160961.00 115301.00 6958.00 - 7606.00 334159.00 296211.00 38548.00 18365.00 85211.00 241728.00 139364.00
Leu-Val
403286.75 16261.00 189277.00 136626.00 228045.00 166114.00 195007.00 289651.00 244038.00 312795.00 222858.00 384719.00 64836.00 498854.00 706706.00 384540.00 135049.00 156147.00 529494.00 464894.00 252013.00
Leu-Val-Lys
258574.00 7520.00 - - - - - - - 7011.00 - - 123385.00 - - - 4051118.00 146720.00 49285.00 8128.00 -
L-Histidinol
117930.00 - 14482.00 143719.00 169768.00 138629.00 50375.00 26710.00 19687.00 4469.00 4174.00 - - - - - - - 10465.00 26587.00 4654.00
Lithocholylglycine
1066836.25 - 3813056.00 2652950.00 1279249.00 452407.00 331702.00 434888.00 172607.00 1343317.00 127213.00 - - 5115.00 7883892.00 2025213.00 156680.00 112503.00 355213.00 1970248.00 146368.00
L-Saccharopine
36570.75 - 10118.00 116253.00 937570.00 1460717.00 227243.00 86629.00 65390.00 - - - - - - - - - - 12462.00 5110.00
Lys-Ala
1771819.75 643136.00 945193.00 1317822.00 5346746.00 4962570.00 1435302.00 1861792.00 1797372.00 786374.00 234153.00 131355.00 979804.00 352586.00 1290965.00 2326911.00 1475861.00 764030.00 1384385.00 2376297.00 860074.00
Lys-Asn
1185276.00 - 910224.00 1284965.00 5281663.00 3352940.00 1333506.00 1022339.00 2096808.00 1061439.00 270683.00 35142.00 55471.00 147573.00 1783158.00 2467541.00 859946.00 596009.00 1384332.00 1942282.00 378861.00
Lys-Gln
757493.25 - 349222.00 415110.00 3262408.00 2279380.00 507394.00 904561.00 781953.00 937257.00 158752.00 28895.00 13075.00 76909.00 689473.00 1311919.00 1030544.00 719207.00 916724.00 1141905.00 227479.00
Lys-Glu
567894.50 7049.00 306159.00 335540.00 2281615.00 2256898.00 386660.00 449425.00 565508.00 1986628.00 256292.00 134160.00 23247.00 278525.00 764679.00 1085356.00 679779.00 411766.00 680975.00 738988.00 241014.00
Lys-Ile
1604045.50 - 812810.00 672265.00 2285312.00 1692048.00 902493.00 752205.00 1249758.00 832956.00 529065.00 94350.00 92117.00 371616.00 2542165.00 2812386.00 1221612.00 902544.00 2202058.00 2450714.00 428098.00
Lysine
75877284.00 875100.00 89661592.00 78203592.00 192677216.00 136219152.00 56921924.00 71561920.00 91178304.00 93455256.00 46432008.00 26048502.00 6000170.00 55920224.00 129100064.00 96454464.00 23686308.00 30960964.00 67676040.00 113085184.00 57931884.00
Lys-Leu
4067278.00 178909.00 3490953.00 2523295.00 11432273.00 6702716.00 3495778.00 3433339.00 5583760.00 2803594.00 1643022.00 824349.00 397520.00 1047192.00 8821425.00 6613064.00 3335955.00 1955998.00 3907034.00 6919284.00 2885253.00
Lys-Met
385839.50 - 487746.00 487700.00 2190500.00 931021.00 273226.00 355406.00 844576.00 252574.00 16324.00 - - 62082.00 574339.00 1839271.00 99480.00 39893.00 243024.00 1378812.00 129625.00
Lys-Phe
1241725.00 40268.00 1278641.00 868688.00 2227216.00 1497238.00 952060.00 1199050.00 1987307.00 915081.00 394662.00 397981.00 102388.00 388152.00 1240760.00 1736794.00 792037.00 377707.00 800654.00 2292770.00 878615.00
Lys-Pro
2144951.25 98767.00 744999.00 1632680.00 16993256.00 13651546.00 2970120.00 2311123.00 3412866.00 1512167.00 480673.00 132010.00 123024.00 1074678.00 677305.00 1197402.00 236582.00 391098.00 1916053.00 1339179.00 339759.00
Lys-Thr
2053000.75 - 1968035.00 2992669.00 21618926.00 12556430.00 2873509.00 1839724.00 4364854.00 2532736.00 1265436.00 94108.00 48441.00 258624.00 3121654.00 3641909.00 760257.00 259059.00 802243.00 3446763.00 947368.00
Lys-Trp
297717.00 - 589117.00 209918.00 384946.00 282386.00 192410.00 271475.00 352697.00 648286.00 342227.00 69931.00 - 116712.00 327740.00 483404.00 137650.00 132609.00 244697.00 418867.00 280682.00
Lys-Tyr
705757.50 - 1621346.00 1156476.00 1226951.00 895077.00 872865.00 1170368.00 1719336.00 771826.00 455677.00 360772.00 127732.00 375597.00 1894557.00 1619555.00 354130.00 282053.00 441896.00 1687323.00 1033114.00
Lys-Val
2976445.25 79748.00 2017987.00 1659668.00 10352375.00 6929942.00 2662235.00 3070231.00 4297871.00 1564211.00 456605.00 211291.00 311788.00 720624.00 1785355.00 3226297.00 1824951.00 932578.00 1790252.00 4224230.00 1690041.00
Met-Arg
99185.75 - 89682.00 43224.00 515514.00 434194.00 12369.00 80416.00 106349.00 7594.00 13157.00 - - - 84774.00 152094.00 421912.00 66670.00 73170.00 213005.00 15806.00
Met-Gly
177444.50 - 281894.00 275097.00 1027699.00 616246.00 139500.00 127769.00 311392.00 82323.00 19865.00 - - - 323298.00 801676.00 612586.00 313610.00 341583.00 434191.00 108135.00
Methionine
2911509.50 - 2681820.00 2287287.00 19471386.00 10434779.00 999772.00 1783717.00 2130365.00 3413327.00 835609.00 224775.00 70592.00 1344209.00 3552643.00 3653315.00 711231.00 571451.00 2277988.00 3730260.00 1297532.00
Methioninesulfoxide
4827709.25 69850.00 3128195.00 3699266.00 14467725.00 12418131.00 3923742.00 4053342.00 4008094.00 1965235.00 1322674.00 851407.00 306050.00 2550804.00 4619572.00 2957101.00 398870.00 524258.00 1594276.00 4399744.00 3506485.00
Methylglycinate
69793.00 24780.00 34617.00 189579.00 160798.00 246956.00 164197.00 138529.00 134265.00 10902.00 9187.00 7743.00 163787.00 11033.00 30742.00 117058.00 18479.00 66415.00 123478.00 134857.00 17960.00
Met-Phe
128015.50 - 81759.00 84393.00 233022.00 156165.00 92278.00 217778.00 168064.00 19130.00 13004.00 12405.00 - 40526.00 1452344.00 298996.00 45664.00 14790.00 84844.00 189027.00 98590.00
Met-Trp
623986.00 - 868616.00 1171104.00 1578047.00 1603567.00 648694.00 692458.00 1117164.00 374956.00 586566.00 56917.00 - 235127.00 1696872.00 1291972.00 5239.00 122331.00 389181.00 1290280.00 430506.00
Monoelaidin
197418.50 - 31985.00 409220.00 1038317.00 1144800.00 563210.00 538687.00 705445.00 15673.00 - - - - - - 29140.00 11487.00 98027.00 70626.00 14145.00
N2-Methylguanosine
19647.00 - - 5681.00 24916.00 29118.00 5069.00 - 5073.00 - - - - 17657.00 - 36636.00 78376.00 79746.00 174634.00 26642.00 -
N2,N2-Dimethylguanosine
1128148.00 - 1046561.00 1277934.00 1698044.00 2292584.00 1110135.00 1659839.00 1563937.00 157221.00 227423.00 233748.00 14739.00 1307844.00 72275.00 849995.00 768591.00 1860604.00 3077030.00 2692382.00 1051578.00
N8-Acetylspermidine
1427651.00 289473.00 3355719.00 2495412.00 3163128.00 3325086.00 1326295.00 2179727.00 2440304.00 428534.00 551119.00 686564.00 364410.00 2092717.00 178387.00 841711.00 555230.00 1262547.00 1229502.00 2482038.00 2371323.00
N-Acetyl-D-galactosaminitol
488560.25 21430.00 929168.00 742352.00 1042902.00 1191121.00 631777.00 876563.00 1629224.00 343617.00 338713.00 308227.00 36693.00 588203.00 59536.00 596255.00 143659.00 287939.00 355135.00 832238.00 504718.00
N-Acetyl-D-lactosamine
1111982.50 31087.00 215531.00 513773.00 105402.00 103119.00 108725.00 62570.00 140754.00 8218730.00 11228665.00 1263803.00 163424.00 2857096.00 31482.00 112787.00 19734.00 45896.00 56709.00 138692.00 117798.00
N-Acetylhistamine
11496.33 - - 18489.00 56057.00 80418.00 105801.00 45273.00 39209.00 152717.00 191143.00 - - 178031.00 - - - - - 9307.00 -
N-Acetylneuraminic acid
173872.00 8527.00 80986.00 360423.00 1197550.00 1253486.00 204641.00 134299.00 180185.00 301740.00 204059.00 24279.00 24915.00 97463.00 - 42374.00 92673.00 155204.00 289525.00 248228.00 51696.00
N-Acetyltryptophan
406433.25 4925.00 199645.00 732064.00 861503.00 1096068.00 1213820.00 432053.00 369892.00 8871.00 - - - - 36111.00 159881.00 17674.00 - - 775178.00 276028.00
N-Benzyloxycarbonylglycine
7652.67 - 8178.00 26737.00 18253.00 69835.00 56491.00 21922.00 16059.00 - - - - - - - - - - 18803.00 6965.00
N-Carboxyethyl-.gamma.-aminobutyric acid
795985.25 - 454195.00 2100757.00 16844204.00 21403400.00 4322531.00 1951106.00 1465968.00 16788.00 6445.00 - - 4919.00 - 154699.00 182668.00 106898.00 229289.00 552266.00 310918.00
n-Dodecylamine
60805.75 4968.00 - - - - - - - - 4947.00 - - 4857.00 - - - 4903.00 - 5931.00 -
N-epsilon-Acetyllysine
104043.75 5590.00 49352.00 49314.00 451504.00 355387.00 54286.00 39959.00 53742.00 140922.00 39731.00 - 18176.00 72102.00 164280.00 53768.00 86618.00 47692.00 119852.00 131469.00 46309.00
Nicotinamide
4111402.25 7629627.00 8632311.00 3169632.00 2705672.00 2617553.00 1141934.00 2280118.00 2222629.00 1158106.00 729740.00 915538.00 6079714.00 2062314.00 4412101.00 6192562.00 3658349.00 2513604.00 2897362.00 10633136.00 6222415.00
Nicotinic acid
441549.25 956929.00 215893.00 250573.00 587209.00 456526.00 195350.00 161482.00 199508.00 299766.00 75117.00 97659.00 297854.00 1129431.00 91349.00 477804.00 652926.00 93165.00 149676.00 1814321.00 124645.00
N-Methylanthranilic acid
46939.50 - 20776.00 40085.00 137593.00 27377.00 92481.00 90495.00 31629.00 321501.00 295175.00 44301.00 5339.00 28480.00 9036.00 15266.00 22833.00 - - 1814.00 24761.00
N-Methylglutamic acid
231893.75 94680.00 12146.00 92193.00 1076823.00 714849.00 177354.00 90476.00 65429.00 41068.00 50570.00 59583.00 43292.00 26200.00 11774.00 288762.00 699862.00 303683.00 312616.00 162120.00 4575.00
N-Methylisoleucine
217087.25 16559.00 58406.00 476855.00 1642457.00 1708984.00 786596.00 227822.00 165789.00 155631.00 7166.00 296082.00 166115.00 11026.00 - 5091.00 188691.00 5099.00 5838.00 241764.00 79490.00
N-Methylleucine
63834.25 - - 4606.00 53424.00 54952.00 12834.00 4726.00 6142.00 - - - - - 11973.00 177708.00 369955.00 196667.00 264434.00 25439.00 4465.00
N-Methylproline
1030567.25 210437.00 45712.00 165808.00 372472.00 353802.00 156999.00 32530.00 32421.00 4811586.00 2409664.00 189191.00 135290.00 229080.00 76660.00 3925375.00 8978889.00 1395443.00 1042760.00 709751.00 33515.00
N-Methyltyrosine
27585.50 - 98188.00 144986.00 247844.00 276066.00 174406.00 139775.00 106004.00 - - 3966.00 - - - 16544.00 - - - 112006.00 122713.00
N,N-Dimethylarginine
1024508.25 39290.00 1435600.00 1691363.00 3393270.00 3976423.00 1333742.00 1200289.00 2778400.00 901986.00 778356.00 258712.00 82838.00 956320.00 399917.00 935286.00 941635.00 632906.00 893004.00 1367648.00 886958.00
Norleucine
37152432.00 264247.00 41653128.00 34998496.00 137640416.00 83883624.00 22590068.00 32271990.00 43184692.00 20281222.00 10444360.00 7046380.00 3051794.00 21941170.00 58900376.00 48736132.00 8562289.00 8493663.00 26919090.00 49681812.00 26784984.00
Octadecanedioic acid
29564.75 - - 120106.00 107584.00 312025.00 73308.00 81001.00 22394.00 - - 56471.00 - 58323.00 - 88308.00 - - - - -
Octanoylcarnitine
239213.50 7321.00 210854.00 286779.00 420825.00 326573.00 195610.00 188317.00 219704.00 565517.00 263930.00 47567.00 23738.00 86854.00 1166756.00 443250.00 256326.00 84470.00 114537.00 295195.00 118615.00
Oleoyl-L-carnitine
906345.50 - 2614802.00 3876631.00 2518116.00 2105144.00 724388.00 3649310.00 5052914.00 679510.00 276848.00 6273.00 - 289704.00 268954.00 383548.00 153500.00 32896.00 146925.00 214875.00 867355.00
Ornithine
346442.50 511429.00 42215.00 116786.00 766929.00 473890.00 166150.00 514805.00 142054.00 304241.00 514854.00 73945.00 555301.00 271892.00 531343.00 157098.00 186355.00 45414.00 114590.00 190379.00 38197.00
Pantothenic acid
1661124.25 74049.00 1093438.00 1555806.00 10448417.00 6585880.00 1116700.00 532193.00 696424.00 5198686.00 1510954.00 96042.00 65060.00 748497.00 1895424.00 1392157.00 1280617.00 418289.00 730054.00 3456105.00 616583.00
Pentasaccharide/ maltopentaose
5690.50 - - - 627848.00 151371.00 5576.00 - - - - - - - - - - - 5098.00 - -
Phe-Ala
605782.75 - 725540.00 1405799.00 2970809.00 2128630.00 682712.00 803330.00 1060925.00 395924.00 260050.00 247711.00 65469.00 319962.00 985057.00 1032744.00 90750.00 127758.00 369473.00 1077448.00 368420.00
Phe-Arg
632868.25 49781.00 174451.00 139814.00 848564.00 245218.00 143056.00 377969.00 247234.00 136115.00 157294.00 135331.00 284739.00 74078.00 413844.00 278002.00 2547863.00 1055170.00 1123850.00 396824.00 196691.00
Phe-Gln
378921.75 - 496901.00 448926.00 3130641.00 1842249.00 297356.00 338807.00 482156.00 234453.00 203385.00 99879.00 - 172617.00 264215.00 505104.00 60246.00 60191.00 326052.00 454437.00 191080.00
Phe-His
179121.50 - 108020.00 98203.00 341420.00 204969.00 163669.00 390058.00 169687.00 20263.00 13508.00 118714.00 - 208883.00 - 151571.00 14056.00 21642.00 192120.00 313309.00 126587.00
Phe-Lys
465750.50 5754.00 92278.00 139420.00 413739.00 322708.00 190662.00 288792.00 230370.00 108245.00 33392.00 199241.00 92535.00 194714.00 135271.00 259520.00 1145680.00 214632.00 364971.00 378149.00 32728.00
Phenylacetaldehyde
96970.50 3735.00 - 5301.00 12657.00 12901.00 12160.00 - 6179.00 85668.00 72797.00 - - 4398.00 - 17265.00 70627.00 29243.00 11106.00 9419.00 -
Phenylacetylglycine
134257.75 - 20020.00 81940.00 94679.00 97305.00 85099.00 31879.00 22449.00 1089453.00 833214.00 44421.00 - 90316.00 - 6322.00 - - - 52161.00 11591.00
Phenylacetyl-L-glutamine
274569.75 - 500212.00 371320.00 266496.00 255399.00 166657.00 226005.00 382312.00 458281.00 444636.00 113148.00 - 379720.00 553762.00 446014.00 403790.00 298065.00 461727.00 346119.00 287459.00
Phenylalanine
59747552.00 1243095.00 61004580.00 55833952.00 202744576.00 122585048.00 35821988.00 44142312.00 64736632.00 33452260.00 21873930.00 10299372.00 9898683.00 27696048.00 101071824.00 84355016.00 22647310.00 16227584.00 52047364.00 84899432.00 34882804.00
Phenylethanolamine
1677208.25 441067.00 1729966.00 4269466.00 6276474.00 7563280.00 7089195.00 3574793.00 2843404.00 124496.00 118190.00 132158.00 337415.00 125668.00 68746.00 870156.00 183180.00 160158.00 134773.00 3294692.00 2015972.00
Phe-Pro
4120497.50 28103.00 625118.00 3019911.00 39441936.00 17203296.00 2513058.00 1030815.00 1180373.00 4151087.00 2260124.00 129118.00 49244.00 395381.00 636460.00 728356.00 130658.00 206302.00 916627.00 1309119.00 195302.00
Phe-Trp
312364.00 20063.00 454948.00 565218.00 833433.00 678783.00 338049.00 291469.00 491110.00 124476.00 180303.00 12075.00 28804.00 78444.00 517200.00 718857.00 11871.00 28928.00 164531.00 611631.00 192658.00
Pro-Arg
3120469.50 - 223859.00 674585.00 2668825.00 1607008.00 3026038.00 1103756.00 2201947.00 397776.00 661729.00 79873.00 412235.00 322121.00 350884.00 279758.00 2334870.00 3590786.00 5392213.00 462831.00 136683.00
Pro-Asn
587538.50 - 24364.00 234624.00 1187807.00 751151.00 134346.00 73646.00 90728.00 5513223.00 1424312.00 15023.00 - 168791.00 430618.00 628225.00 464144.00 178894.00 574243.00 417618.00 13476.00
Pro-Ile-Lys
503520.75 - 15773.00 1467.00 495768.00 260641.00 40679.00 7564.00 9016.00 4421110.00 2594486.00 29036.00 - 5912.00 179738.00 346097.00 141874.00 176881.00 663094.00 224913.00 20787.00
Proline
8221948.50 1187825.00 1814367.00 3460419.00 25209144.00 15185913.00 1861145.00 3162493.00 1424894.00 4335470.00 861249.00 769371.00 932408.00 4500173.00 1171902.00 2141112.00 2986950.00 333125.00 1533068.00 4613437.00 1658966.00
Proline-hydroxyproline
163149.25 - - 53876.00 334081.00 227104.00 23583.00 - - - - - - - - - - - 7465.00 6404.00 -
Pro-Lys
866514.75 8786.00 343812.00 847491.00 5961355.00 3974934.00 849697.00 668459.00 1165937.00 1428920.00 404434.00 52252.00 8041.00 438136.00 403806.00 457653.00 299939.00 338520.00 895945.00 683187.00 135566.00
Propionylcarnitine
1369439.00 357530.00 128835.00 543494.00 2079182.00 1474836.00 534664.00 119323.00 137905.00 12028132.00 7853856.00 223748.00 569895.00 305736.00 1552190.00 673605.00 494113.00 151231.00 264711.00 1164477.00 62040.00
Pro-Pro
6225120.75 275502.00 1263144.00 7631294.00 90235880.00 47893312.00 4648969.00 2765176.00 7431504.00 8208286.00 3888628.00 281077.00 366332.00 2702690.00 421893.00 1406646.00 249739.00 290629.00 1191816.00 2461724.00 214501.00
Pro-Pro-Lys
238125.25 - 6619.00 105107.00 744182.00 427169.00 87036.00 - 27692.00 2919008.00 661661.00 - 4749.00 29013.00 13998.00 31969.00 - 7319.00 78009.00 107180.00 -
Putrescine
2256733.00 3055830.00 565718.00 1837947.00 2423292.00 2166916.00 1723198.00 726784.00 1867914.00 1011951.00 1965816.00 692614.00 3457057.00 2816709.00 790369.00 1400292.00 1514708.00 1719101.00 1716987.00 1368920.00 435501.00
PyroGlu-Met
923878.75 104318.00 577975.00 2718018.00 9720679.00 8276140.00 1330654.00 1300765.00 1217100.00 31120.00 - - 106654.00 - - 239506.00 99026.00 150831.00 255267.00 727190.00 343223.00
PyroGlu-Pro
1720359.50 - 227459.00 1809441.00 24946084.00 12941026.00 1747352.00 546774.00 524325.00 1601034.00 374176.00 22816.00 - 171947.00 23517.00 291276.00 73814.00 91687.00 419327.00 538482.00 9665.00
Pyroglutamic acid
2217912.00 172993.00 954630.00 1140021.00 8409677.00 4640404.00 922051.00 948883.00 976936.00 11141092.00 1091068.00 386048.00 215313.00 1249154.00 822098.00 1244747.00 851172.00 500541.00 1287269.00 1450503.00 638789.00
PyroGlu-Trp
168018.00 - 66874.00 353484.00 414592.00 457916.00 509490.00 501139.00 339584.00 5728.00 60434.00 - - 97352.00 12882.00 25801.00 20721.00 36778.00 65912.00 218887.00 166616.00
Quercetin
25362.00 - 6469.00 - - - - - - - - - - - - 11380.00 6686.00 43891.00 103054.00 187517.00 9758.00
(R)-Butyrylcarnitine
2489985.25 335955.00 472100.00 1934508.00 2487196.00 1529050.00 460864.00 248256.00 357555.00 25354298.00 20459160.00 1669395.00 414722.00 1535468.00 848230.00 532931.00 297050.00 121039.00 197146.00 781844.00 268205.00
S-Adenosyl-homocysteine
44700.00 - 20032.00 103698.00 279834.00 367190.00 167310.00 72455.00 85697.00 - - - - - - - - 8476.00 - 7610.00 9662.00
S-Adenosyl-methionine
- - 1627.00 - 112740.00 125989.00 9514.00 10908.00 3094.00 11720.00 - - - - - 13303.00 5789.00 - - - -
Salicylic acid ethyl ester
36890.75 - 66805.00 128987.00 314886.00 367734.00 197361.00 158219.00 121142.00 - - - - - - 56337.00 - - - 104437.00 61140.00
Ser-Arg
1314851.50 5892.00 802779.00 1132102.00 4689486.00 3443074.00 1303895.00 1105633.00 1892180.00 923087.00 403515.00 102972.00 190586.00 161529.00 1828143.00 2404988.00 4547938.00 1413265.00 1877106.00 1717720.00 382050.00
Ser-Asn
320012.50 - 285705.00 202139.00 1225599.00 654969.00 193424.00 258037.00 313548.00 146044.00 86231.00 41731.00 14680.00 162985.00 531004.00 499606.00 151662.00 298173.00 671929.00 319301.00 244217.00
Ser-Asp
155174.75 - 172886.00 109256.00 579343.00 352398.00 91500.00 116041.00 210655.00 69025.00 9588.00 - - 106886.00 102612.00 255703.00 96131.00 41678.00 185033.00 162472.00 125594.00
Ser-Gln
1825871.00 30857.00 1206598.00 1160721.00 8716219.00 3843910.00 976341.00 1003904.00 1211588.00 1896640.00 520884.00 405956.00 158083.00 605329.00 3041016.00 2219340.00 777490.00 508542.00 1022296.00 1713704.00 739295.00
Ser-Glu
558094.75 - 477091.00 375368.00 1594693.00 998821.00 203913.00 381662.00 366859.00 1571521.00 423749.00 269520.00 78212.00 428179.00 1028620.00 721230.00 288155.00 148052.00 347189.00 563573.00 325063.00
Ser-His
523226.00 - 441334.00 526410.00 3437438.00 2466876.00 476073.00 655066.00 649165.00 326871.00 107390.00 62542.00 - 196708.00 593491.00 1323403.00 156861.00 191683.00 494666.00 823858.00 353104.00
Ser-Ile-Lys
157165.25 - 114820.00 89658.00 746310.00 491031.00 181080.00 221383.00 353934.00 10069.00 - 5789.00 6727.00 - 776165.00 326174.00 855948.00 57419.00 166916.00 404288.00 94071.00
Serine
3384729.50 143030.00 1848530.00 1861294.00 13572925.00 7871963.00 1378671.00 1848828.00 2254191.00 3602041.00 1743305.00 567444.00 341720.00 2385301.00 2577856.00 2614825.00 1456283.00 650729.00 1945159.00 2481307.00 1376509.00
Ser-Leu-Arg
173472.00 - 5958.00 15328.00 93921.00 84572.00 55584.00 143870.00 98820.00 17888.00 - - 39309.00 - 5531.00 66956.00 419322.00 55325.00 181920.00 131624.00 14269.00
Ser-Lys
950596.00 - 758049.00 679801.00 3974226.00 2272578.00 926784.00 904019.00 1243080.00 1224209.00 351717.00 107550.00 138135.00 209212.00 4226294.00 1674872.00 526920.00 422377.00 1008888.00 1503519.00 446213.00
Ser-Pro-Lys
2424406.00 - 2931384.00 3639803.00 19626238.00 11035297.00 3668897.00 1402105.00 5713424.00 2644082.00 711781.00 12831.00 91163.00 130055.00 4058861.00 5354568.00 498426.00 228865.00 589266.00 5278989.00 992058.00
Ser-Ser
1016208.00 - 667754.00 534864.00 4199668.00 2021614.00 521700.00 861013.00 911711.00 541744.00 265815.00 224665.00 105525.00 623863.00 1686520.00 1200482.00 226417.00 292379.00 760139.00 1029942.00 602455.00
Ser-Thr
1120741.25 - 1030440.00 819867.00 5171426.00 3070708.00 718559.00 1372491.00 1497366.00 848949.00 353617.00 235568.00 75020.00 654627.00 1539287.00 1531578.00 246809.00 239522.00 851696.00 1423914.00 729000.00
Ser-Val
1826019.75 - 2191333.00 1591875.00 5754416.00 3390066.00 1458228.00 1957494.00 2467992.00 1116204.00 552922.00 475894.00 116261.00 1050470.00 2317204.00 3156244.00 560563.00 548644.00 1909542.00 2438071.00 1244380.00
S-succinylcysteine
125619.50 - 511146.00 288370.00 447086.00 493681.00 73807.00 154096.00 305601.00 107727.00 5842.00 - - 32404.00 - 192747.00 140001.00 108396.00 177622.00 144169.00 113984.00
Stercobilin
3199358.00 - 6739676.00 7234961.00 10279309.00 9259892.00 3058118.00 4168332.00 7369808.00 2407149.00 1397750.00 554173.00 - 1269590.00 15898053.00 3557447.00 758579.00 1009630.00 1803260.00 4958008.00 2095506.00
Syringaldehyde
25935.00 - - 6631.00 9273.00 12060.00 - 8915.00 - - - - - - - 86550.00 258115.00 251153.00 321535.00 161335.00 4457.00
Tetrasaccharide
1075535.25 16798.00 1353411.00 3205389.00 1327170.00 1602472.00 4067019.00 2702642.00 1950453.00 - - - 5630.00 - - 162222.00 19763.00 42319.00 31223.00 828598.00 938989.00
Thr-Ala
832298.00 - 717521.00 674439.00 3591591.00 2354701.00 602596.00 1310070.00 1190328.00 241246.00 120750.00 140247.00 50250.00 531451.00 1090236.00 1188405.00 587284.00 160525.00 431991.00 1649374.00 592678.00
Thr-Arg
2245286.25 - 954388.00 1617561.00 10480961.00 6275834.00 3355103.00 2495151.00 3842688.00 2517886.00 2218628.00 172934.00 307404.00 423546.00 667341.00 2334131.00 1823309.00 785388.00 1520186.00 3064338.00 616574.00
Thr-Gln
1223430.00 - 1368043.00 1392171.00 5338810.00 3481407.00 1040420.00 1625796.00 2431687.00 1774124.00 332872.00 139750.00 - 381693.00 948132.00 1475178.00 149640.00 156105.00 414685.00 1383395.00 554965.00
Thr-Gly-Thr
152768.50 - 87011.00 98569.00 883645.00 490898.00 81442.00 266966.00 192722.00 26915.00 39376.00 - - 61552.00 142554.00 182608.00 20051.00 22777.00 127620.00 211097.00 94483.00
Thr-His
396263.25 - 233598.00 375381.00 1231456.00 928632.00 228687.00 393438.00 366450.00 373619.00 105632.00 10060.00 5655.00 101827.00 831416.00 403985.00 23948.00 37569.00 198892.00 527020.00 170266.00
Thr-Ile-Lys
166095.75 - 30052.00 11363.00 66267.00 49379.00 18344.00 69931.00 34002.00 822996.00 111650.00 - - 5840.00 93013.00 74898.00 283458.00 320281.00 1140151.00 118496.00 15388.00
Thr-Phe
203355.00 12232.00 225772.00 175964.00 525003.00 372565.00 148112.00 233844.00 284237.00 161574.00 134998.00 93309.00 41140.00 101503.00 262765.00 509966.00 83861.00 34807.00 124872.00 320748.00 124305.00
Thr-Thr
803113.75 25288.00 864271.00 760986.00 4349828.00 2510986.00 692545.00 1038164.00 1375166.00 486541.00 402134.00 93430.00 52943.00 468833.00 630459.00 1221307.00 296612.00 138770.00 423495.00 959156.00 473337.00
Thr-Tyr
217869.25 - 241020.00 379415.00 676527.00 409004.00 250191.00 290281.00 464031.00 111150.00 81514.00 9092.00 7860.00 115418.00 360891.00 490668.00 26731.00 39846.00 209381.00 343154.00 137959.00
Thymine
316275.00 - 166638.00 92496.00 521932.00 444853.00 105564.00 392398.00 214517.00 50441.00 10966.00 - - 484152.00 - 17540.00 4836.00 - 88716.00 355272.00 257588.00
TMAO
4193778.25 84921.00 4228559.00 4383372.00 5502726.00 5353218.00 2555923.00 3625719.00 5562824.00 7599058.00 7270990.00 2479100.00 198900.00 3542162.00 2308335.00 3589998.00 1486690.00 1983349.00 2472104.00 3543611.00 2104748.00
Trigonelline
162542816.00 297542208.00 52440748.00 140255856.00 497632416.00 438203616.00 153675216.00 58553888.00 29679136.00 44850532.00 12530481.00 5487772.00 182019616.00 9282812.00 72499352.00 79595496.00 42063320.00 11262676.00 8860564.00 831065664.00 40034720.00
Trisaccharide1
10844842.25 1309832.00 10305310.00 11184713.00 4970950.00 6703714.00 12283308.00 12707245.00 11307515.00 209359.00 6677.00 38403.00 487262.00 43665.00 12031.00 2964613.00 1445201.00 996012.00 827884.00 7547204.00 10789915.00
Trisaccharide3
3126853.50 482590.00 3469095.00 7395730.00 1300842.00 1094259.00 1116255.00 730137.00 583268.00 5523194.00 8833830.00 3848434.00 218303.00 2217988.00 - 548548.00 679792.00 865167.00 973715.00 2277405.00 2872357.00
Trisaccharide4
251061.75 23698.00 71979.00 244412.00 55401.00 84643.00 142799.00 108634.00 69931.00 220638.00 211139.00 1150.00 4566.00 5283.00 - 234285.00 598578.00 666642.00 624509.00 384313.00 46202.00
Trp-Arg
2540543.75 21574.00 1501008.00 1625776.00 4337692.00 2234365.00 3194548.00 2461870.00 5427782.00 3822363.00 4305845.00 625754.00 251644.00 904475.00 1289372.00 3060969.00 805305.00 924428.00 1564138.00 3056366.00 887632.00
Trp-Gly
92124.25 - 46289.00 31576.00 373315.00 219557.00 43556.00 85111.00 60346.00 7433.00 - 21469.00 - 59935.00 32848.00 107008.00 - - 27476.00 69445.00 35765.00
Trp-Leu
4799941.25 5859.00 4622843.00 4520873.00 16165291.00 8489847.00 5459400.00 5729011.00 9719352.00 1361451.00 953068.00 654397.00 181182.00 1531796.00 16858004.00 7976820.00 301737.00 812324.00 2604417.00 8976952.00 4400262.00
Trp-Pro
376158.75 - 122069.00 163437.00 2433205.00 984788.00 229027.00 139807.00 181778.00 6256.00 15068.00 - - 87159.00 366229.00 325068.00 93760.00 160880.00 328904.00 130633.00 28708.00
Tryptophan
21312873.50 122276.00 22257012.00 16985016.00 48776248.00 35246352.00 13067268.00 16953744.00 27219506.00 10751306.00 9336680.00 3787897.00 2152758.00 11904802.00 39497504.00 31620414.00 4370870.00 4898472.00 12849874.00 34571440.00 14882907.00
Tyr-Arg
997570.00 42894.00 1078981.00 514146.00 1763904.00 1840841.00 1040699.00 1844363.00 1944842.00 622782.00 306625.00 1477696.00 229992.00 550857.00 914097.00 994432.00 3764677.00 1146021.00 1020394.00 1464486.00 605247.00
Tyr-Asn
430930.50 - 576498.00 526071.00 1194872.00 858552.00 403856.00 488845.00 851712.00 98754.00 130433.00 9777.00 - 107176.00 643163.00 1095130.00 79603.00 80054.00 293708.00 884435.00 281863.00
Tyr-Gln
269062.75 - 141242.00 131805.00 456336.00 346852.00 141531.00 285902.00 224351.00 280357.00 63888.00 61130.00 - 78700.00 89871.00 572253.00 368955.00 142551.00 280483.00 403550.00 148347.00
Tyrosine
1284508.50 129811.00 1215176.00 1513661.00 4528960.00 3482075.00 1384518.00 1139199.00 1352508.00 542022.00 399892.00 179076.00 182462.00 507419.00 1767909.00 2256303.00 4426808.00 1974971.00 2436120.00 2028423.00 862611.00
Tyr-Pro
309157.00 - 44269.00 220242.00 2555361.00 1147235.00 150497.00 82698.00 179412.00 569368.00 241669.00 - - 29825.00 62029.00 174035.00 - 6058.00 134699.00 87007.00 6173.00
Tyr-Tyr
23298.33 - 39501.00 22811.00 18437.00 20270.00 23636.00 37529.00 50470.00 16490.00 25223.00 - - 9338.00 20834.00 105828.00 6168.00 - 5025.00 10011.00 13795.00
Urocanic acid
1041272.50 2073976.00 445493.00 768857.00 1641897.00 2165046.00 1282668.00 1563074.00 686784.00 681124.00 1630720.00 430544.00 872347.00 1037581.00 316837.00 425164.00 950884.00 455572.00 693228.00 1286277.00 594051.00
Val-Arg
1332497.00 - 359366.00 436521.00 2912527.00 1797398.00 1002698.00 995247.00 889969.00 904461.00 527907.00 375126.00 331477.00 436127.00 367596.00 623129.00 2093332.00 1219158.00 2230684.00 1090289.00 312410.00
Val-Gln
2909384.25 - 2143083.00 1987140.00 18848630.00 10961175.00 2472403.00 3489132.00 4216386.00 570701.00 299523.00 198945.00 109092.00 702865.00 1641510.00 5175838.00 1833743.00 377707.00 946413.00 7604966.00 1298638.00
Val-Glu
1094149.25 6916.00 1049918.00 965957.00 7845803.00 4498379.00 615545.00 818841.00 1299228.00 2514062.00 499274.00 175659.00 79738.00 689964.00 956460.00 1163122.00 234064.00 173670.00 647801.00 1299077.00 454149.00
Val-His
1019476.25 - 882700.00 699588.00 3718971.00 2433067.00 630459.00 1340879.00 959795.00 505418.00 91292.00 115706.00 - 386150.00 1921345.00 913990.00 185614.00 111582.00 487929.00 1195340.00 565413.00
Val-Lys
808866.50 - 708752.00 740942.00 1596856.00 1244826.00 821189.00 760585.00 1047870.00 675994.00 439808.00 232559.00 159517.00 432832.00 1559626.00 1233715.00 502867.00 393216.00 783647.00 1056261.00 342611.00
Val-Met
226980.25 - 251132.00 288477.00 2609270.00 1113354.00 98627.00 170236.00 250868.00 266725.00 23739.00 5721.00 - 50932.00 256921.00 245607.00 15136.00 3841.00 62110.00 262193.00 62189.00
Val-Phe
1716849.25 21624.00 2600650.00 1864774.00 4966245.00 3022906.00 1345784.00 2014776.00 2613626.00 761626.00 520132.00 259778.00 53455.00 643385.00 7155763.00 2506108.00 423791.00 278773.00 1100309.00 3131835.00 1486963.00

Factors:

F1Factor:QC
F2Factor:Time point 1
F3Factor:Time point 10
F4Factor:Time point 11
F5Factor:Time point 12
F6Factor:Time point 13
F7Factor:Time point 14
F8Factor:Time point 15
F9Factor:Time point 16
F10Factor:Time point 17
F11Factor:Time point 18
F12Factor:Time point 19
F13Factor:Time point 2
F14Factor:Time point 20
F15Factor:Time point 3
F16Factor:Time point 4
F17Factor:Time point 5
F18Factor:Time point 6
F19Factor:Time point 7
F20Factor:Time point 8
F21Factor:Time point 9
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