Data for ST003036   

(Analysis AN004978): Average values per metabolite and experimental factor (Units:peak height)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22
11-beta-hydroxyandrosterone-3-glucuronide
- - 251156.00 239195.50 223004.50 202376.00 96499.00 81005.50 - 248353.00 276922.50 235804.50 176985.50 102083.00 - - 133800.50 118174.00 109675.00 155847.50 77123.00 141820.33
1-4-b-D-Mannan
225472.00 192911.50 238930.00 247801.50 253295.00 236251.50 222996.50 208043.00 213342.50 230546.50 208177.00 215459.00 244560.00 210615.50 249764.50 238456.50 268978.50 299888.50 278633.00 280758.50 272055.50 496524.83
1,4-Bis(2-ethylhexyl) sulfosuccinate
73225.50 99347.50 33827.50 39737.50 29067.50 79362.00 1928406.00 275919.00 258142.50 46128.50 77379.50 28568.50 37132.50 77109.50 116353.50 144250.50 26567.50 38185.50 42193.50 24648.00 66173.50 84352.83
15-Keto-prostaglandinE2
223421.50 276827.00 152481.50 119159.00 224470.00 140001.50 187708.50 215646.00 248276.00 198097.50 147394.50 455079.50 147332.50 213285.00 239847.00 368477.00 145743.50 230519.50 145909.50 136559.00 123436.00 209087.17
1-(5^-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imida...
317482.50 348758.00 342566.00 262258.50 373622.00 258774.00 404547.50 796997.00 665245.00 563803.00 616401.50 686735.50 613801.50 749003.50 - - - - - - - 282546.00
15S-hydroxy,14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic...
337461.00 342738.00 405059.50 464322.50 357761.50 469131.00 451139.50 541806.00 471271.50 591534.50 712165.00 595621.50 668373.50 523421.00 426238.50 417169.00 557970.00 731066.50 381734.50 532281.50 513315.50 531564.00
1,6-anhydro-N-acetylmuramate
1024163.50 1017134.50 1337945.00 1385292.00 1427247.00 1187783.50 1073500.50 1000068.00 1083385.00 1337852.00 1408659.00 1343281.00 1280711.00 1020881.00 1276445.50 1178111.00 1118705.00 1144023.00 1164920.00 1221160.00 1276882.50 1157004.33
1-Aminocyclopropane-1-carboxylate
135485.00 115982.00 164721.50 125508.00 144242.00 166991.00 141015.50 138480.50 132276.50 145341.00 129293.50 134829.50 125492.00 125007.50 289621.50 255513.50 222374.50 247017.00 202986.50 197043.50 254712.50 176095.17
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1523992.50 1486876.00 1294499.00 1265986.00 1426257.00 1592137.00 1451416.00 1516518.50 1388785.50 1350585.00 1453835.00 1429332.00 1495329.00 1430988.00 2164402.50 2185315.50 1610722.00 1707292.50 1717801.00 1553851.00 2077384.00 1645011.17
1H-Imidazole-4-ethanamine
2642844.00 1964110.50 3297029.00 3143150.50 3286304.00 3474221.00 2719996.50 2728769.50 2221233.00 2751536.50 2852104.50 2538271.00 2831724.00 2487856.00 4098746.00 3970792.50 3793014.00 3833573.50 3902567.50 3643550.50 3836242.50 3371191.17
1-(p-butylphenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-s-tri...
821140.00 811212.00 1071172.50 1115625.50 1078743.00 1018382.00 990124.50 810469.50 1234424.00 1331144.00 1321537.50 1218884.00 1191074.50 757758.50 830485.00 706731.00 902435.00 1042057.50 888872.00 947020.50 953409.50 981542.83
2,3,4,5-Tetrahydrodipicolinate
471360.00 472127.00 299255.00 295562.00 339468.50 332893.50 435480.00 365658.50 416034.50 302200.50 227893.00 250444.00 289535.00 384318.50 403986.50 445763.50 353693.50 369086.50 335667.00 297530.00 354926.50 354968.50
2,3,6-Trihydroxypyridine
176817.00 174135.00 330035.00 198612.00 233073.50 220913.50 163394.50 203482.50 200291.00 332226.50 170977.50 133740.00 212842.00 180908.50 232586.00 212554.00 182995.00 214212.00 188156.50 186321.50 227219.50 212236.50
2^,3^-Cyclic AMP
1089978.50 1047099.50 1013182.00 977213.00 915469.50 1141134.00 1151848.00 1177761.50 1234394.00 1063019.50 1024258.00 980772.00 1265815.00 1212230.50 1031001.50 887852.50 1361804.50 1338471.00 1089030.50 1145656.00 1196074.00 1097732.17
2^,3^-Cyclic CMP
473235.50 547772.00 406727.50 447269.00 479015.00 471431.50 491855.50 468069.50 522217.50 513161.00 473509.50 474654.00 496443.50 559714.50 482476.50 445575.50 552035.00 502084.00 440303.50 497287.50 473761.00 487566.00
2^,3^-Cyclic UMP
902338.50 971375.50 826723.50 902757.00 909504.50 884409.50 853375.50 832025.50 909105.00 833945.50 850892.50 865233.50 959251.00 824383.50 799340.50 833458.50 955891.00 970418.50 837287.50 816117.00 856888.50 905515.00
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
847731.00 715908.00 989915.50 963787.50 1074386.50 872854.00 739463.00 842435.00 865862.00 901222.00 762390.00 853763.50 824525.50 881725.00 769418.50 715758.00 964506.50 852523.00 766220.50 965916.00 775477.00 902422.17
2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose
2427387.00 2476786.00 2501829.50 2450686.00 2587637.00 2601777.50 2718390.50 2152857.00 2546105.00 2374461.00 2364898.50 2492237.50 2555956.00 2428222.50 2632351.50 2714395.00 2422561.00 2543956.50 2473851.50 2598248.00 2596638.00 2501621.83
2,5-Dioxopentanoate
170102.50 132762.00 299746.50 332882.00 273076.00 360649.00 186328.50 204504.00 153965.50 318268.50 355930.00 323094.50 314485.00 241295.50 141278.00 149828.00 269814.00 289589.50 203223.50 294305.50 204120.50 255166.33
2,5-Dioxopiperazine
422852.50 368785.00 487167.50 514949.50 497497.50 467113.50 450441.50 358224.00 415448.00 450123.00 503799.50 451577.00 426400.50 392229.00 453176.00 410719.00 413408.50 408698.50 400696.50 472671.00 373161.50 428462.17
2-5-Furandicarboxylicacid
13920.00 - - - - - - - - - - - - - - - 21356.50 12536.00 15346.00 - 24109.50 84132.67
2-6-10-Trimethylundecanoicacid
189685.00 185412.50 182480.00 197711.50 195248.50 196156.00 196014.00 160922.00 168576.00 186392.50 207230.50 181287.50 174358.50 184837.50 184149.00 180660.00 175491.00 200598.00 199599.50 208760.50 193828.50 177578.67
2,7-Anhydro-alpha-N-acetylneuraminic acid
2103973.50 2056053.50 1664336.50 1704046.00 1710902.50 1814179.50 1967238.00 1982386.00 1998146.50 1546874.50 1750016.50 1577980.50 1723074.50 1868241.50 2172677.00 2201013.00 2000522.50 2075421.50 1884422.00 1954005.50 2059904.00 1963460.67
2(alpha-D-Mannosyl)-D-glycerate
226132.00 187486.50 195903.00 202740.50 208580.00 263193.00 213124.00 235169.00 196037.50 200707.00 231693.50 205386.50 217976.50 207603.50 308927.00 330668.50 270662.50 288939.50 309651.50 240447.50 313193.00 225776.17
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
1661157.50 1631382.50 1431258.00 1334827.50 1497471.00 1525591.00 1469322.00 1488227.00 1543605.00 1513514.50 1330567.00 1342847.00 1553234.00 1446407.50 1915875.00 1766710.50 1642350.00 1654656.50 1547146.00 1522307.00 1915205.00 1522799.33
2-Aminobutan-4-olide
525785.00 579962.00 568529.50 501788.50 476750.50 456446.00 577811.00 574906.50 526390.50 493085.50 471233.00 502922.50 450482.00 477083.50 537702.00 582434.50 439900.50 464542.50 457533.00 461801.50 551970.00 484056.67
2-Aminomuconate
1141233.00 996106.00 1222524.00 1062348.50 1160930.50 1512499.50 1064732.50 1396352.00 1148860.00 1042242.00 975553.00 868952.00 1045411.00 1324505.50 939568.50 1045329.50 1053438.00 935238.50 894842.50 1142485.00 1000812.50 1114367.00
2-C-Methyl-D-erythritol 4-phosphate
14550000.00 16150000.00 12900000.00 12258601.00 13950000.00 13050000.00 13300000.00 15650000.00 16700000.00 13500000.00 14650000.00 12600000.00 14250000.00 13400000.00 20250000.00 18300000.00 18950000.00 21250000.00 15300000.00 17500000.00 21500000.00 15716666.67
2-C-Methyl-D-erythritol 4-phosphate_1
8943457.00 7892815.50 22450000.00 20200000.00 7393657.50 23450000.00 7940911.50 4678152.00 4922298.00 19350000.00 20350000.00 18750000.00 20800000.00 2905314.00 20250000.00 18300000.00 18950000.00 21250000.00 15300000.00 17500000.00 21500000.00 12066666.67
2-Dehydro-3-deoxy-D-galactonate
1269110.50 1239703.00 1294707.00 1101390.50 1344336.00 1408786.00 1326403.50 1270816.50 1362890.50 1094983.00 1108259.00 1075303.50 1269177.00 1172451.50 1248258.00 1226959.00 1162512.00 1131789.50 1048212.50 1192078.50 1226546.00 1310540.00
2-Deoxy-D-ribose 5-phosphate
992627.00 1277886.00 107146.00 - 333077.50 202887.50 685842.50 306607.50 463906.00 109331.00 - - 244133.00 186311.50 1040461.50 1076690.50 - 86307.00 233295.00 - 438682.00 366180.00
2-deoxyglucose-6-phosphate
353312.50 338803.00 502325.50 540395.50 1012358.00 570050.00 747598.00 523672.50 519692.00 563881.50 495043.50 772426.00 527558.50 1583926.00 327200.00 355777.50 876659.00 915115.50 551755.50 655413.50 383501.50 618309.33
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate
456357.50 397989.50 403510.00 367302.00 397020.00 353037.00 396163.00 401239.00 409630.50 341587.50 380104.50 405684.00 339904.50 335997.00 366758.00 328251.50 365190.00 309405.00 303520.00 327854.50 330486.00 359155.00
2-Hydroxy-3-oxoadipate
447416.50 555658.50 239844.50 221845.50 227275.50 266244.00 371282.00 358747.50 503335.50 282780.00 346533.00 333988.50 275716.00 403662.00 181305.00 178869.50 199904.50 187300.00 145478.00 198735.00 176029.50 278293.83
2-hydroxy-4-carboxypyrimidine
846093.00 472228.50 1070881.00 893742.00 1050180.50 1082908.00 807280.00 812208.50 443608.00 791908.00 844076.50 760591.00 938541.00 686162.00 1739925.50 1994841.00 1579386.00 1745676.00 1685877.50 1253368.50 1720139.50 1233003.67
2-Hydroxymalonate
- - - - - - - - - - - - - - - - - - - - - 219805.17
2-Isopropylmaleate
375076.50 313294.50 95031.00 106196.00 176430.50 91719.50 266467.00 131639.50 133339.00 - - 56125.00 75705.00 93893.00 469057.00 331029.50 63517.00 121663.00 140479.00 - 300360.00 155583.33
2-Methylbutyroylcarnitine
104268.50 88938.50 - - 119119.00 - 118145.00 139952.00 129611.00 - - - - 128155.00 172370.00 192688.00 135886.00 141567.50 148673.00 - 195596.50 105466.50
2-Methylcitrate
154069.00 - - - 181394.00 169344.00 215060.00 199066.00 - - - - - - - - - - - - - 1484996.17
2-Octenedioicacid
140565.00 144005.00 138025.50 134534.00 128546.00 145606.00 143595.50 143562.00 163972.00 148086.00 161876.50 138283.00 169056.50 156962.50 134080.00 146211.50 164039.00 130154.50 144672.50 155417.00 152603.50 146844.67
2-Oxoadipate
721976.00 717268.00 2066924.00 2041795.50 1161077.00 2764040.50 1094122.00 1334259.00 1644625.50 2782929.00 3054604.00 3026429.00 3340993.50 1192121.00 311181.00 312244.00 662002.50 502909.50 376866.00 2013753.00 289130.00 1503028.17
2-Oxoglutaramate
1380169.50 1303940.50 1161032.00 1350106.00 1292592.00 1172421.00 1168474.00 1141646.50 1197850.50 1128901.00 1094139.50 1235620.00 1168972.00 1094907.50 1515769.50 1668359.50 1199510.00 1251646.50 1281737.50 1115206.50 1404717.50 1304538.33
2-Oxoglutaramate_1
10400000.00 10300000.00 15500000.00 13650000.00 14600000.00 15050000.00 12100000.00 12650000.00 12550000.00 13800000.00 14550000.00 14000000.00 13900000.00 13500000.00 10300000.00 10183167.50 14900000.00 14750000.00 13450000.00 13750000.00 12650000.00 13016666.67
2-Oxoglutarate
22050000.00 20150000.00 83100000.00 9931939.50 16700000.00 35500000.00 27150000.00 24250000.00 29750000.00 91150000.00 12250000.00 8030345.50 34700000.00 32050000.00 31500000.00 28500000.00 3002520.50 9456295.00 17100000.00 1508462.50 27850000.00 27016666.67
2-Oxohept-3-enedioate
1506258.50 1569729.50 1152490.50 1254298.00 1259327.50 1215748.00 1479918.50 972962.00 1135307.50 1062447.00 1093883.00 988860.00 995553.00 953706.50 2067233.50 1898677.00 1812633.50 1786408.50 1709912.50 1687894.00 2006195.00 1306504.00
2-Oxosuccinamate
2158071.00 2218384.50 2106830.00 2067112.00 2009645.00 2315191.50 2357323.50 2083786.50 1841625.50 1911364.00 1916236.50 1878737.00 2071128.50 1993436.00 2254112.00 2273657.50 2110734.50 2205516.50 1960230.00 2140028.00 2364488.50 2142548.67
2-(sulfomethyl)thiazolidine-4-carboxylate
- - - - - - - - - - - - - - - - - - - - - 771284.83
3,4-Dihydroxyphenylacetate
445388.50 661935.50 386385.50 335729.50 472318.50 271125.50 495569.00 544036.00 690259.00 358692.50 413367.50 388241.00 273704.50 476221.00 174340.50 154224.50 134533.50 140798.00 115022.00 171334.00 151782.00 290402.83
3-(4-Hydroxyphenyl)lactate
247906.50 222687.00 130559.00 139891.00 284503.50 126746.50 214993.50 307247.50 273811.00 161740.00 103043.00 130530.00 117178.50 242570.00 148206.00 169307.00 151533.50 201955.50 163995.00 120202.50 168778.50 176922.00
3-(4-Hydroxyphenyl)pyruvate
2792956.00 4847296.00 18800000.00 11000000.00 6969037.50 2104257.50 3350045.50 4809408.00 6931684.00 19950000.00 2140919.50 8636005.50 2513041.00 6235949.50 2805275.00 4652912.50 1546056.00 4388702.00 4484530.00 496665.50 2312751.00 5522246.67
3^,5^-Cyclic GMP
937145.50 915605.50 840150.50 781924.00 830589.00 980075.50 927642.00 952568.50 1029928.50 911467.00 1005547.00 956526.50 973976.50 917664.50 933775.50 844890.00 988090.00 943891.50 871703.00 958225.50 986167.50 941589.83
3,6-Dideoxy-L-galactose
380377.00 384963.50 304128.00 312442.50 362512.00 337405.50 401709.00 460314.50 388677.50 298259.00 317392.50 331157.00 316778.50 336699.50 307452.00 311683.50 301249.50 288101.50 236776.00 260848.50 291150.50 331906.33
3^-AMP
899322.00 1095190.00 561993.50 574209.50 648142.50 647313.50 845813.50 840949.00 916516.00 659348.50 669668.50 599261.00 728618.00 809021.00 1199788.50 1389840.00 987391.00 1040910.00 993598.50 745956.50 1075565.00 862943.33
3-Cyano-L-alanine
472929.50 385147.00 488664.50 498061.00 521702.50 459895.50 384193.50 437084.00 361450.00 449803.00 450074.00 442675.50 418728.00 391074.00 546155.00 443835.50 436059.50 417649.00 366693.00 451107.00 449050.50 427141.50
3-Dehydrocarnitine
892969.50 649337.00 769315.00 722641.50 949391.00 836781.50 729758.00 1269892.50 1355350.00 835179.50 650568.00 1041415.50 1101408.50 820790.50 1346948.00 1170302.00 837716.50 1008586.00 1012556.00 723762.00 1236840.00 1035841.33
3-Dehydro-L-gulonate
700335.00 850796.50 336357.00 310017.50 694407.50 340290.00 744924.00 590106.50 591729.00 316190.00 310162.50 341911.00 361094.00 772719.50 281099.50 271936.00 271353.50 280844.50 233687.00 334073.00 269623.00 366633.33
3-Dehydroquinate
125709.00 153003.50 121176.00 106729.00 125741.50 116691.50 125114.00 112865.00 113991.50 119378.50 123087.50 132203.50 128234.00 126865.00 152046.00 135275.50 136484.00 143825.00 144192.00 124284.00 135943.00 130410.33
3^-Demethoxypiplartine
130260.00 126792.50 129885.00 133068.00 121906.00 149596.50 129452.00 148842.50 144962.50 152439.00 137107.00 129448.50 113246.50 122144.00 126297.50 134652.50 112903.00 97704.50 97932.00 120598.50 100812.50 134479.17
3-Deoxy-D-manno-octulosonate
3105647.00 3194024.00 559613.00 298654.50 1589098.50 413622.00 2357412.00 2597249.00 2503916.00 580646.50 200298.50 209470.00 375090.00 963572.00 4482756.50 3566137.50 502733.50 776085.50 1344346.00 203849.50 2346874.50 1535393.00
3-Ethylmalate
31800000.00 32350000.00 36000000.00 36500000.00 35600000.00 35750000.00 34600000.00 32000000.00 33750000.00 38050000.00 38750000.00 37250000.00 38100000.00 34850000.00 33950000.00 32200000.00 35750000.00 35400000.00 34100000.00 35750000.00 34850000.00 42650000.00
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
126781.00 109786.50 155592.00 170443.50 160919.50 161525.50 117231.00 137986.00 112688.50 148127.00 177043.00 149080.00 123206.50 144732.00 230712.50 173810.00 171019.50 195249.00 168734.50 184362.00 174475.50 155668.83
3-Hydroxybenzaldehyde
692224.00 533166.50 1483585.50 915918.00 738771.00 1093983.50 669209.50 672205.50 517174.00 1393209.00 1234581.00 777216.50 844817.50 721030.00 765456.00 628130.00 718676.00 690690.00 735530.50 827710.00 650216.50 712463.33
3-Ketosucrose
300311.00 251102.00 252663.50 268325.50 314188.50 296022.00 360330.00 299336.00 185561.00 210506.00 165770.00 147404.00 262696.50 333436.00 574911.50 522856.00 418480.00 524635.00 471398.00 387641.50 429810.00 345249.67
3-Methyl-2-oxobutanoic acid
16150000.00 16000000.00 18400000.00 18450000.00 17800000.00 18850000.00 16050000.00 14950000.00 15850000.00 17600000.00 18000000.00 17800000.00 16700000.00 15050000.00 16650000.00 16200000.00 17150000.00 16350000.00 15750000.00 17250000.00 17600000.00 16783333.33
3-Methylbutanoic acid
4222121.50 5221174.50 606279.50 749480.00 1391753.50 838243.00 2263822.50 4497844.50 5296645.00 690830.00 622334.50 804666.50 953310.00 1869717.00 15300000.00 13300000.00 1429625.50 3674095.00 5200371.50 1255622.00 8498588.00 3727466.50
3-Oxododecanoic acid
275514.00 288644.50 118342.00 120449.50 267283.00 90628.50 322071.50 302577.50 257643.00 102234.50 75189.50 115112.00 101764.50 276602.00 177577.50 178568.50 171784.50 123492.00 132290.50 130181.00 134446.00 168488.33
3-Oxohexobarbital
11750000.00 11650000.00 13200000.00 13500000.00 13450000.00 13600000.00 12100000.00 11500000.00 11300000.00 12550000.00 12700000.00 12750000.00 12000000.00 11100000.00 12850000.00 12600000.00 12200000.00 12700000.00 11850000.00 13450000.00 12750000.00 12600000.00
3-Phospho-D-glycerate
- - - - - - - - - - - - - - - - - - - - - 307983.33
3-Propylmalate
331032.50 347295.50 176401.50 159684.50 261202.00 168971.50 299564.00 314704.00 249089.50 166848.00 166588.50 165758.00 176685.00 249661.50 651107.00 619698.50 199223.50 218159.00 241538.00 186766.50 390296.00 280437.00
3^-Sialyllactose
298136.00 303450.00 263636.00 316925.00 279354.00 316699.00 298447.00 292084.00 306985.00 301824.00 321256.00 313962.50 308541.00 260806.50 335427.50 351352.50 308476.50 328378.00 263167.50 307873.00 347429.50 308219.00
3-sulfopropanoate
- - - - - - - - - - - - - - - - - - - - - 374955.00
4-Coumarate
566174.00 892678.50 1666332.00 1064040.00 1256953.00 310561.00 700629.00 970653.50 1610842.50 2184572.50 317850.00 925252.00 293251.50 1210212.50 834710.50 1071728.00 273418.50 1140175.50 1520280.00 170267.00 771330.50 834935.67
4-(Dimethylamino)azobenzene
1657414.00 2097327.50 1890668.50 1866200.50 1999112.00 1722476.50 1604943.00 1812748.50 2383349.00 2139853.00 2157267.00 2041521.00 1733879.00 1585313.00 807382.00 858790.00 766781.00 725180.00 655248.00 1173793.00 705778.00 1500892.83
4-Hydroxy-4-methylglutamate
- - - - - - - - - - - - - - - - - - - - - 104185.83
4-Hydroxybenzaldehyde
1025085.50 635640.00 2596987.50 1611173.50 1070197.00 1726667.50 1050949.50 960829.50 680585.00 2591545.00 2373002.00 1132867.00 1418814.00 952698.50 1734135.50 1060383.00 1113583.00 1338123.50 1256892.50 1604464.00 1268917.50 1082183.67
4-Hydroxybenzoate
1331362.50 1043416.00 706060.50 935490.50 1343955.50 1066801.50 1224113.50 1321224.50 1148624.50 574752.50 423695.50 981378.50 1078092.50 973075.00 2249054.50 2340929.00 1599913.00 1771324.50 1706249.00 1397907.00 2101461.50 1457320.67
4-Hydroxybutanoic acid
1617234.00 1752614.00 156368.50 360654.50 1656554.00 243408.00 1626903.00 2626891.50 2427442.00 163724.50 139128.50 338395.00 256186.50 2383022.00 1864413.50 1944507.50 1901818.00 2179448.00 1979892.00 552123.50 2119147.00 1326011.33
4-Hydroxyhexan-3-one
548450.50 402081.50 609628.00 524974.00 457966.00 600206.50 551127.00 751183.00 462611.50 564535.00 580614.50 640691.50 658479.00 747552.00 753653.50 433899.00 675027.50 652400.00 580428.00 653336.50 597787.00 425577.33
4-Hydroxyphenylacetaldehyde
342345.00 352478.00 256912.50 317410.00 293259.50 241595.00 318980.50 449032.00 556238.50 228676.50 299824.50 358501.50 182523.00 321950.50 446890.00 365388.00 297420.00 409869.00 348898.50 229635.00 390040.50 322105.33
4-Imidazolone-5-acetate
135181.50 129716.00 109640.50 148721.50 145260.00 122871.00 146058.00 146103.00 114257.50 139934.50 147697.50 130906.50 136518.50 135102.50 232407.50 230483.00 248851.00 248942.00 255533.50 201527.00 216795.50 161922.67
4-Maleylacetoacetate
77856.00 - 62033.00 51407.00 64176.50 75830.50 72135.00 80739.00 - 65135.00 55779.00 49943.00 68372.50 79564.00 157767.00 142495.00 155898.00 139286.50 119832.00 100127.00 135174.00 97361.83
4-Methyl-2-oxopentanoate
41450000.00 43800000.00 23450000.00 14100000.00 20300000.00 12150000.00 34700000.00 38150000.00 40500000.00 27200000.00 13850000.00 12400000.00 13600000.00 26500000.00 23750000.00 31600000.00 3263515.00 3979151.00 5184964.00 5569369.50 10885491.00 20100000.00
4-Methylene-L-glutamate
562569.50 516062.50 555962.50 530588.50 643243.50 547855.50 569649.50 579401.50 651830.00 581152.00 567663.00 546958.00 562449.50 575000.00 804069.00 767925.00 720759.50 766424.50 689965.00 586427.00 785976.50 801216.83
4-Nitrophenol-alpha-D-galactopyranoside
301309.00 283339.50 286138.00 345281.50 328793.50 286988.00 305531.50 315906.00 310997.50 352698.00 390139.00 352871.50 288659.50 318437.50 304544.00 303320.00 327829.50 361219.00 282154.00 304738.00 301370.50 327533.67
4-Oxoglutaramate
3198835.00 3182714.50 3211248.00 3128269.50 3182571.00 3331246.50 3360790.00 3331262.50 3263555.00 2821701.00 2942614.00 2792201.00 3051561.00 3240861.50 3396888.50 3510090.50 3314675.00 3493389.00 3211551.00 3409584.00 3534241.50 3265719.00
4-oxo-N-acetylneuraminate
77546.50 74962.00 102087.00 82337.00 82112.00 82976.00 79945.00 97542.50 119664.00 75320.00 72074.50 77144.50 69802.00 83329.00 122154.00 116358.00 96487.50 112446.50 112205.50 92575.00 131965.50 106065.17
4-Oxoproline
68500000.00 68200000.00 72950000.00 71650000.00 69650000.00 73650000.00 67300000.00 70600000.00 71800000.00 73850000.00 77700000.00 74600000.00 73700000.00 72650000.00 71600000.00 72500000.00 73850000.00 75900000.00 69150000.00 76550000.00 75150000.00 72966666.67
5,10-Methylenetetrahydrofolate
167526.50 184410.50 143628.50 162434.00 150228.00 170163.00 169732.50 167325.00 180139.00 163804.00 158677.00 174737.00 143229.50 165621.50 222873.00 206462.50 178534.50 180163.00 189317.50 226927.00 195456.00 176526.17
5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
609647.50 658878.00 618934.00 549251.50 759038.00 625524.00 682830.50 651892.50 778144.50 689234.00 730954.50 637803.00 539013.50 835773.50 588843.00 534174.50 439195.00 565337.50 555982.50 562055.00 623446.50 645414.83
5,6-Dihydroxyindole-2-carboxylate
516212.00 552809.50 634563.50 600990.00 611341.00 591999.50 540937.50 494006.50 533337.50 583376.00 585648.50 565166.50 554740.50 475466.50 618313.50 572434.00 605742.00 571871.50 571166.00 614594.50 631596.00 1646896.33
5beta-Cyprinolsulfate
2505860.00 2152660.50 2388884.00 2176568.50 2380136.00 2930681.50 2701567.00 2245521.50 2173801.50 3012361.50 2329266.00 2817043.50 2321704.50 1942901.50 2482115.50 1957620.00 2419702.00 2334836.50 1778720.00 2557989.50 1819098.00 2418203.17
5^-Dehydroadenosine
1661409.50 1841986.50 2880624.00 2399373.00 1113118.50 1084757.50 1614969.50 2545248.00 2269076.00 3001192.00 4622305.50 3697266.50 1191166.50 1930779.00 2085624.00 2042791.00 630120.50 1080517.50 1232510.00 846290.00 1812687.50 1958585.83
5-Hydroxy-N-formylkynurenine
285226.00 264848.50 331979.00 344368.00 344021.00 324582.50 239831.00 300313.00 272645.00 318420.00 335770.50 311617.00 315661.50 292876.50 402698.50 397689.00 361712.00 399836.50 360149.00 327451.50 388750.50 330992.33
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
287720.50 234835.00 271206.00 283006.50 274668.50 403051.50 279538.50 313547.00 263547.00 260913.00 222715.00 236644.50 291211.50 292263.50 230589.00 209793.00 216033.00 187972.00 180278.50 246801.00 204118.00 278909.50
5-L-Glutamylglycine
2173825.00 1940059.50 3649464.00 3556908.50 3437419.00 3263658.50 2752051.00 2804817.00 2937311.00 3408373.50 3667050.50 3389467.00 3305625.00 2798429.50 2261451.00 1869658.00 3311230.00 3431433.00 2956911.00 3213814.00 2962211.00 3091384.17
5-Methylcytidine
2300936.00 2335222.00 2431313.50 2335923.00 2448002.00 2668935.50 2542190.00 2508201.00 2425030.50 2498737.50 2350263.50 2463800.00 2658677.50 2630698.50 1413596.00 1532106.50 2267451.50 2098517.00 1688437.00 2544183.00 1715753.50 2272192.83
5-Oxopentanoate
2757064.00 2864137.00 2252302.00 2078985.00 2394468.50 2046318.00 2480102.50 2812718.00 2572122.50 2478421.50 2065751.00 2053566.50 2072455.00 2012830.50 2701207.50 2459001.00 1636557.00 1689818.50 1574161.50 1792802.00 1818981.00 2122786.83
5^-Phosphoribosyl-N-formylglycinamide
- - - - - - - - - - - - - - - - - - - - - 162631.67
6-Acetamido-2-oxohexanoate
1104849.50 867602.00 2116775.50 1656524.50 976551.50 1189288.50 1109286.50 991084.50 1021159.50 1158696.50 1100478.50 1005232.50 1228649.50 1104327.00 1509819.50 1305469.00 1423737.00 2064856.50 1697640.50 1888977.00 1455584.00 1760488.50
6-Acetyl-D-glucose
589807.00 677013.50 750214.50 709158.00 754069.50 776298.00 783751.50 721167.00 683449.00 774385.00 775823.50 851974.50 787569.50 756243.00 747006.50 799607.00 723245.50 748290.50 779967.50 723565.50 702530.50 867515.17
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphat...
159037.00 118431.00 376312.50 382572.00 359615.00 352301.50 305145.50 251425.00 210623.50 314189.50 290020.00 327973.50 388549.00 290469.00 253404.00 187770.50 446748.00 496709.50 475272.50 407383.00 429126.00 338927.50
6-Bromo-5E,9Z,13Z,24Z-heptacosatetraenoic acid
593875.50 755515.50 467292.00 469271.00 473226.00 459570.50 540154.00 379184.50 648516.00 516321.00 421375.00 458021.00 439074.00 550684.00 626079.00 561839.00 476122.00 510932.00 454998.00 438207.50 568610.00 525793.00
6-oxo-1,4,5,6-tetrahydronicotinate
310448.00 291183.50 262237.50 211271.00 240313.00 263478.00 315819.50 284627.00 275973.50 253853.50 247785.00 265175.00 215747.00 278586.00 238063.00 212041.00 206494.00 213640.00 205489.50 223320.50 198625.00 249444.83
[6]-Paradol
170586.50 194117.50 206839.50 200972.50 158146.50 217150.50 242501.00 269827.00 208469.00 170636.00 170982.50 222891.50 282260.50 247628.00 216220.50 196597.50 228744.00 168001.00 182060.00 203818.00 374370.50 196961.50
6-Phospho-D-gluconate
- - - - - - - - - - - - - - - - - - - - - 99062.83
7-Deoxypancratistatin
479165.50 425150.00 420920.50 436059.50 495099.50 470895.00 442814.00 483861.50 466620.00 419894.00 458359.00 402833.00 450204.00 418147.00 351153.50 326173.00 385146.00 378218.00 309230.00 386457.00 335107.00 385175.50
7E,9E,11-Dodecatrienyl acetate
362322.00 221421.50 336387.50 298359.50 277615.00 270259.50 261377.00 336326.50 268024.50 337489.50 227150.50 381575.50 249177.00 386391.00 246353.50 192936.00 371763.00 249088.50 233361.50 250812.00 319131.50 222868.33
8-Hydroxy-7-methylguanine
163082.00 186544.00 - - 94860.00 - 135880.00 119686.00 143514.00 - - - - 94813.00 236901.50 301421.00 70633.50 92490.00 122807.50 - 201402.50 103610.67
9-methylthiononylhydroximoyl-cysteinylglycine
- 57834.00 248310.00 243568.50 232823.00 293515.50 181979.00 167105.00 106243.50 280360.00 287736.00 255739.00 281741.00 218863.00 - - 223783.00 196604.00 146105.00 258064.00 172059.00 222049.83
9-Oxononanoic acid
346427.50 399845.00 360191.00 347376.50 454082.00 323893.50 390501.00 307019.00 329210.00 309402.50 285910.00 338236.00 379945.50 332214.00 448131.50 454131.00 294392.50 548852.00 360859.50 607072.50 639854.00 325923.50
Adrenochrome
768377.50 964499.00 952686.50 873769.50 780096.50 961092.50 829902.00 1055752.00 768008.50 937617.50 923477.50 958991.50 880528.50 779859.50 824600.50 859294.50 840139.50 780282.50 854595.50 908795.00 814187.50 921246.33
A-Ketoglutaricacidoxime
572680.50 589252.50 490328.00 495323.00 489437.00 521876.00 521495.00 552683.50 567925.50 484447.00 517898.00 555913.50 466197.50 529797.00 543011.00 613167.50 442810.00 488477.00 529204.50 583284.50 557305.00 526954.33
Ala-Ala-Asn-Asp
299282.50 368451.50 213316.00 207358.50 227174.50 165476.00 265133.00 265534.00 340934.50 249079.50 268787.50 252895.00 275193.00 286332.00 171777.00 206817.00 156903.00 159079.50 172040.00 182190.00 186836.50 237499.00
Ala-Ala-Asp-His
1625272.50 1742254.00 632259.00 593834.00 524393.50 445187.50 1043308.50 1040578.50 1219835.00 671010.00 198727.50 451902.50 484117.00 965139.00 2195151.00 2097438.50 247182.50 1062828.00 1611505.00 369223.00 1896979.50 1019978.83
Ala-Ala-Gly
- - - - - - - - - - 107154.00 47384.00 58925.00 68662.00 - - - - 115888.00 - 110570.00 109846.50
Ala-Ala-Pro-His
334805.00 287823.00 588890.50 571378.50 556531.50 558389.00 418403.50 457149.50 387334.50 571406.00 572299.50 542329.50 511797.50 446493.50 258706.00 222120.50 451921.50 361829.50 296537.50 475777.00 281328.50 429588.17
Ala-Arg-Arg-His
168075.50 131742.00 354577.00 369393.00 358480.50 294114.50 221838.50 183788.50 189673.50 357475.50 348667.50 314044.00 281977.00 225622.00 211868.50 183181.50 253895.00 242769.00 244417.00 307978.50 230639.00 37495.00
Ala-Asn
209074.50 180071.50 214867.50 225718.50 260850.00 216718.50 217291.00 223255.00 244950.50 238195.00 288263.50 272044.00 240990.50 195991.50 245585.50 186053.50 224181.00 236669.50 221944.00 262615.50 212638.50 216908.17
Ala-Asn-Asp-Gly
512563.00 642416.00 338507.50 356381.50 383904.50 304173.00 502639.00 482251.50 622713.00 412857.50 503373.50 495082.50 453665.00 492905.50 338584.50 346281.50 294196.50 294374.50 278349.50 341905.50 290357.50 417236.67
Ala-Asn-Gln-Ser
648167.00 703196.00 1328838.50 1259520.50 1069278.00 1246444.50 811278.50 635755.00 664680.00 1314397.00 1202834.50 1166565.00 1131002.00 742483.50 212941.50 245926.50 826851.00 768503.00 535963.50 1072572.50 451362.50 840788.50
Ala-Asn-Gly-Ser
351473.00 359552.50 825557.50 909715.00 780569.50 870236.50 632475.50 500559.50 531076.00 835168.50 894079.00 900250.50 1113949.00 745793.00 - - 1002349.00 791021.00 420467.00 923183.00 220651.50 659437.67
Ala-Asp
1109695.50 1063425.00 829823.50 933682.50 963691.00 986728.00 973613.00 919552.00 909290.50 885864.50 919984.50 1034797.50 1069737.50 937998.00 1109686.00 1285360.00 1104820.50 1057069.00 1070009.50 1031077.50 1119750.50 1038016.83
Ala-Asp-Pro
202106.00 248185.00 242711.00 203421.00 237972.50 189926.00 238477.50 212288.00 204707.00 211207.00 199848.50 192049.50 221700.50 193808.00 206615.50 190768.50 181946.00 218115.00 183643.00 230700.00 238225.00 218784.83
Ala-Asp-Ser
187511.50 189586.50 193622.50 192526.50 198033.50 168490.50 174518.00 214513.00 189960.50 205090.50 203763.50 212055.50 184239.50 187250.50 203376.00 192034.00 164811.50 179448.50 155554.50 168015.50 163795.50 221400.50
Ala-Asp-Ser-Arg
111358.50 136841.50 195903.50 223768.50 220586.00 175919.00 173761.50 160518.00 144658.00 207423.50 232934.00 219046.00 190514.50 165698.00 149154.50 115062.00 179833.50 147466.00 132862.00 163598.50 159192.00 34593.60
Ala-Gln-Gln-Ser
3455019.50 2920028.50 7785762.50 7507086.00 6702770.50 7898847.50 4770501.00 4726685.00 4143314.50 7050999.00 7585730.50 7529884.00 6993906.00 5309522.50 2438609.00 1966577.00 6378561.50 5262558.00 4042532.00 7621158.00 3409075.00 5441137.67
Ala-Glu-Ala-Ile
615135.00 679996.50 342884.50 322468.50 361924.00 274898.00 476303.00 355982.50 419126.50 373505.00 283428.00 319897.00 235163.00 241439.00 265314.50 286976.00 261744.00 234693.50 251665.00 265827.00 305993.50 296632.83
Ala-Glu-Asn-Ile
- - - - - - - - - - - - - - - - - - - - - 119027.83
Ala-Glu-Asp-Ile
213599.00 175086.50 335415.50 337870.00 370117.50 309332.00 257056.00 285650.00 279658.50 319428.00 343050.00 291731.50 323669.00 270684.50 203783.50 141911.50 295106.00 313414.50 210015.50 301646.50 248693.50 280773.83
Ala-Glu-Glu-Gly
- 66424.00 - - - - - 60351.00 53547.00 66600.00 87448.00 51521.00 66034.00 - - - - - - - - 124044.67
Ala-Glu-Glu-Met
756814.50 688494.00 - - 456056.00 - 644683.50 695536.50 863036.50 - - - - 596493.50 673852.50 658640.50 399501.00 561029.00 664808.00 - 785736.00 447143.00
Ala-Glu-Glu-Tyr
461441.00 475918.50 545574.00 524209.50 608315.50 626603.00 561680.00 559353.50 521533.00 602939.50 531155.50 546652.00 590288.50 589166.00 408564.00 398661.00 619013.00 564443.00 472352.50 593109.50 424976.50 533282.83
Ala-Glu-Ile-Ser
426832.00 369688.50 990747.50 979862.50 870571.50 1053473.00 551681.00 540523.00 441857.50 938431.50 931980.00 964248.50 837654.50 587468.00 288416.00 278999.00 889079.00 679073.00 479870.50 941255.00 369014.00 651645.67
Ala-Glu-Ile-Thr
272433.00 303908.50 325543.50 328307.50 299594.00 324561.00 260069.00 256650.50 307235.00 339950.50 338493.50 370529.00 326171.00 240667.50 291889.00 272486.50 296816.00 279569.00 246452.50 249547.50 302686.50 282005.67
Ala-Glu-Ile-Tyr
522809.50 478791.00 995905.00 910499.00 962519.50 747878.50 576599.50 545321.50 642127.50 1012971.00 936110.00 885178.50 704429.00 654383.00 487302.50 441149.50 646496.00 645604.00 604973.50 723868.50 641502.50 702422.50
Ala-Gly-Arg
- - 243073.00 222901.00 154378.00 230736.50 77765.00 110712.00 79276.00 270234.50 239151.00 258072.00 235615.00 188486.50 - - 100290.00 - - 209804.50 - 204423.17
Ala-Gly-Gly
231489.00 235988.00 171538.00 185012.00 173035.50 204488.00 196865.00 190450.00 183096.00 178772.50 185462.00 163589.50 170579.50 170326.50 245585.50 269138.50 210067.50 226870.00 203587.50 233888.50 219815.00 182443.17
Ala-Gly-Ser
1699525.00 1823581.00 506122.50 509868.00 537132.00 541268.50 831418.00 935197.50 1396329.00 502787.50 519781.00 510723.50 505310.50 590049.00 1629010.00 1773136.50 514556.00 552428.00 569915.50 481476.50 873812.50 691343.83
Ala-Gly-Tyr
338008.50 309518.00 366814.00 324202.00 365963.50 368082.50 413681.50 301503.00 267204.50 271594.50 260156.50 256086.50 246665.00 310872.00 512296.00 465879.50 612314.50 619039.00 559783.50 573136.00 633563.00 115230.50
Ala-Leu-Ala-Asp
299926.00 240141.50 473081.00 479405.00 422423.50 439441.50 376268.00 392193.50 384730.50 531578.00 522072.00 533259.50 475102.00 466402.50 276465.00 215942.50 451759.50 490615.50 408726.50 441986.50 424700.50 452099.17
Ala-Leu-Asn-Pro
761617.00 692180.50 379157.00 424567.50 625490.00 445799.50 727562.50 834698.50 790026.50 475153.00 460854.50 460780.50 519187.00 692509.00 912995.00 859043.50 669719.50 872369.00 863033.00 435106.00 992898.50 690157.00
Ala-Leu-Asn-Ser
263934.00 278484.50 263833.00 239662.00 296352.00 275663.00 248547.50 258134.00 279858.50 240068.50 271065.00 276153.50 262143.50 264487.00 260415.00 260841.00 291832.50 265192.50 227854.00 271448.00 243635.00 297282.33
Ala-Leu-Asp-Asp
1197948.00 1208439.00 1122888.00 1223990.50 1231760.50 1033299.00 1214467.50 1106157.00 1267695.50 1150537.00 1214335.00 1216572.00 1212392.00 1029292.50 1160602.50 1206395.50 1276232.00 1258435.50 1162977.00 1171810.00 1214353.50 1219366.50
Ala-Leu-Asp-Gly
458637.00 459332.50 513206.50 452975.50 462496.50 492235.50 446113.00 439936.00 504098.00 511314.00 496526.00 526915.50 493204.50 462606.50 506458.50 501517.00 493731.00 543908.00 501842.00 527687.50 540611.00 536881.17
Ala-Leu-Asp-Tyr
436365.50 443108.50 646768.50 796244.00 794147.00 559831.00 516783.50 463018.50 491108.00 650240.00 691763.50 666298.50 572931.50 494823.00 468469.50 389852.50 513184.00 520343.50 513164.50 508217.00 550379.50 568431.50
Ala-Leu-Cys-Gln
- - - - - - - - - - - - 86731.00 91369.00 - - - - - - - 110744.83
Ala-Leu-Ser-Ser
408372.50 383444.50 502313.50 541862.00 547063.50 460943.00 384911.50 378321.00 426331.00 509796.00 516500.50 491905.50 460858.00 420882.50 412829.50 381258.00 454206.50 406866.50 380066.50 429419.00 404356.00 462439.83
Ala-Leu-Thr-His
209004.00 201383.00 301925.50 334697.00 329370.00 352611.50 240201.50 276593.00 210958.00 325678.50 314779.50 332395.50 294967.00 273797.50 227816.00 220461.50 331204.50 335534.50 281795.00 324740.00 259399.50 308182.50
Ala-Leu-Thr-Tyr
320909.00 304142.00 598502.00 549408.50 550653.00 563066.50 433308.50 519675.00 578668.50 560955.50 594610.00 588947.00 674424.00 507928.50 298056.00 214530.50 612377.00 576568.00 515365.00 423178.00 466392.00 496028.33
Ala-Leu-Trp-Asn
212530.50 210850.00 1190767.50 1079454.50 731810.50 1156562.50 409952.50 489858.50 364576.00 1031768.50 1001929.00 1073579.00 978553.50 699498.00 153957.50 134696.00 452348.50 202481.50 187254.00 1044128.00 186581.50 656243.00
Ala-Lys-Ala-Asn
196852.00 219449.50 396374.00 381075.50 302753.00 353899.50 274750.50 275481.00 353513.50 387153.50 385696.50 392446.00 366652.00 366527.50 231507.50 288812.00 336467.00 185955.00 128452.50 369059.50 152844.50 340053.17
Ala-Lys-Lys-Val
465696.00 484991.50 458981.00 437340.00 467717.50 464792.00 458391.00 456419.50 470841.50 462516.00 455794.00 449905.00 487987.00 475235.50 501683.00 454044.00 430293.50 452827.00 461804.50 487113.00 492951.00 453490.33
Ala-Met-Cys-His
533223.00 570705.00 755743.00 775157.00 847833.50 610197.50 604482.00 533522.50 559484.00 807900.00 807478.50 792249.50 670917.00 601593.00 504549.00 487474.00 608497.50 541041.50 540374.50 623537.00 609677.00 779036.00
Ala-Met-Cys-Pro
254676.50 309179.00 200846.50 271416.00 194879.50 123479.00 205658.00 145707.50 158020.50 165080.00 - - 165472.50 129634.00 379458.00 434422.00 141786.00 227172.00 355012.50 - 345193.00 209444.50
Ala-Met-Phe-Ala
95692.00 110785.00 327233.00 256464.00 114016.50 439734.50 114193.00 131499.50 102984.00 268983.00 308476.00 245605.50 351980.00 143024.00 68982.00 71469.50 93046.00 104839.00 89784.50 129652.50 98949.00 194877.33
Ala-Met-Thr-Asp
250784.50 220910.50 557349.50 525356.00 539492.50 567733.50 355637.50 364187.50 353219.00 587453.50 502899.00 562538.50 537558.50 367719.00 173158.50 132713.50 408558.50 340066.00 241195.00 557571.50 187968.00 426948.67
Ala-Phe-Val-Ala
387757.00 364685.00 510878.50 483819.00 468452.50 499292.50 411358.00 361811.50 392581.50 442300.00 440470.00 406768.00 396976.50 350320.00 363096.00 337544.00 365757.50 424791.50 366806.00 409362.50 368086.00 420164.33
Ala-Pro-Ser
86861.00 83381.00 91112.50 88214.50 88035.50 86729.50 92391.00 83898.00 82678.50 81728.50 100784.00 83359.50 94811.00 73918.00 91408.50 81981.00 88904.00 113577.00 96615.00 121654.00 98427.50 100451.67
Ala-Ser
6282272.00 5382232.50 17050000.00 17200000.00 14550000.00 16250000.00 9708740.00 13700000.00 14600000.00 19050000.00 20500000.00 19700000.00 18900000.00 14950000.00 4581453.00 3207085.50 14550000.00 14200000.00 12050000.00 16650000.00 9356155.50 13016666.67
Ala-Ser-Ser-His
140773.50 122492.50 133061.50 144053.00 105877.00 112119.00 132295.50 147719.00 142733.00 120667.50 144890.50 118240.50 133359.50 132470.00 104740.00 106142.50 130392.00 119156.00 109881.50 115378.00 105667.00 115625.17
Ala-Ser-Ser-Tyr
650156.00 666231.00 714169.50 765223.00 742051.50 681172.00 552621.50 615082.50 643574.00 591833.50 710490.50 567261.50 650024.00 554523.50 559584.00 520887.00 576030.00 620900.50 508037.50 682297.00 469059.50 618235.67
Ala-Thr-Ala-His
- - - - - - - - - - - - - - - - - - - - - 190244.17
Ala-Thr-Asp-Gln
295192.50 301869.50 305113.50 264732.50 315940.50 315179.00 294917.50 306395.50 295835.00 316188.50 313578.00 344587.00 342889.00 275445.50 383849.50 329141.50 394449.50 401775.00 381036.00 345960.00 425822.00 314977.33
Ala-Thr-Gln-Tyr
518642.50 578654.00 446425.50 419886.00 477933.00 446150.00 490393.00 471832.00 472779.50 439060.50 415682.50 490500.50 427970.00 461342.00 461427.00 565529.50 445949.50 491342.00 426819.50 385285.00 461314.00 488338.50
Ala-Thr-Thr-Ala
1634930.00 1694762.50 2066346.50 2020269.50 2187060.00 1892996.00 1741743.50 1752979.00 1773935.50 2234914.50 2125273.00 2171129.00 1879899.50 1733682.00 1517263.50 1631657.50 1713283.00 1618072.50 1647579.00 1753906.50 1735513.00 1977495.17
Ala-Trp-Asp-Arg
67638.50 87694.50 74458.00 76334.50 77009.00 85973.00 80764.50 90179.50 107383.00 111549.50 99825.00 108227.50 89656.00 94105.50 34105.00 44376.50 51568.00 43683.00 39048.50 45771.00 37494.50 72658.67
Ala-Trp-Gly-Arg
250024.50 319885.00 464540.00 517519.00 485485.00 382356.00 268527.50 264833.50 266816.00 424182.00 439972.00 480906.50 421980.00 289479.50 285045.00 306834.50 312356.50 393960.50 305267.00 355041.00 303832.50 347304.17
Ala-Val-Gly-Ser
144547.00 143295.00 184247.00 171566.00 195654.00 146572.00 140899.00 153099.00 132042.50 190277.00 195192.00 189529.00 179481.50 141988.50 158114.00 135836.50 140895.50 130973.50 121725.00 134046.50 138074.50 178497.50
Ala-Val-Pro-Ser
860620.50 877634.00 1271912.50 1179851.50 1269700.00 998249.00 938424.50 833222.00 858588.00 1188542.50 1243651.50 1212804.50 987711.50 862080.50 901723.50 849189.50 973717.50 953871.50 857375.50 990891.50 940190.00 978952.50
Ala-Val-Tyr-Arg
202810.50 106766.00 457288.50 407724.50 437336.50 397415.00 206119.50 173037.00 157132.00 436663.00 480529.50 377312.00 324782.00 290956.50 157020.00 118120.50 289859.00 293939.00 194632.50 327689.00 215049.50 309761.33
alpha;-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate...
31887.50 28473.50 16236.50 31738.00 21232.00 33621.00 20654.00 13057.00 9400.00 7721.50 - 8007.50 - 18978.00 87494.00 94200.00 64406.00 79780.00 93322.00 61090.00 90309.00 42892.83
alpha,alpha^-Trehalose 6-phosphate
1325851.00 1490996.00 106415.00 109670.00 542325.00 103906.50 1081819.00 886910.00 1306027.00 122348.00 100659.50 129858.00 117782.00 1125404.50 176350.00 179704.50 94920.00 121844.50 99307.00 97757.50 134714.00 373363.33
alpha-Irone
1624671.50 1441208.50 1016827.50 1080691.50 1114605.50 731523.00 1212477.50 1661983.00 1612207.50 1016428.50 1194781.00 1343334.50 776049.00 1318210.50 1503248.50 1537008.00 992220.50 1177914.00 1203079.50 668372.50 1305612.00 1179485.00
Aminocarb
102314.00 78305.00 117452.00 122148.50 136977.50 132050.50 116744.50 104313.50 104250.00 162944.50 105585.00 107443.00 114796.50 95430.00 120538.50 134556.00 125908.00 120017.00 113793.50 100526.50 114140.50 112583.17
AMP
4919749.50 6197453.00 561993.50 574209.50 2776739.50 647313.50 4621723.00 3405542.50 5145722.50 659348.50 669668.50 599261.00 728618.00 3287213.00 3979247.50 4633259.00 774688.50 1683850.50 2375695.00 745956.50 3006762.50 2254382.00
Arg-Gln-Gln-Tyr
432949.50 466193.00 370156.00 362071.50 324200.00 285608.50 386013.50 373701.00 379488.50 303443.00 335430.50 352278.50 305691.00 316883.00 419434.00 471261.00 383674.00 377157.00 385829.00 310867.50 491178.00 371975.17
Arg-Glu-Glu-Phe
- - 562071.50 598885.50 458141.50 545765.50 214991.00 160993.00 - 531638.00 491584.50 521666.50 516831.00 333343.00 - - 398995.00 364433.00 270862.00 473508.00 292017.00 374411.67
Arg-Glu-Glu-Thr
470729.50 411478.00 585963.50 546061.50 595175.50 628812.00 479838.00 556683.00 515104.00 535110.00 576732.50 564516.50 648205.50 621165.50 502314.50 475220.50 627640.00 568139.00 564199.00 571644.50 560641.50 590562.67
Arg-Glu-Ile-Ser
369658.50 348234.50 603885.00 604089.00 589694.50 506136.00 390438.00 392854.50 465671.00 614696.50 623996.50 653137.00 539483.50 430535.50 382461.50 376032.50 458805.50 473642.00 417329.50 581073.50 455273.50 500741.00
Arg-Leu-Lys-Asp
66637.50 62135.50 293930.50 269626.00 185893.50 308584.00 197438.00 178421.50 171698.00 293909.00 330734.50 306680.00 301163.50 278035.50 - - 140191.50 71908.50 65238.50 276018.00 68544.00 265548.17
Arg-Leu-Ser-Tyr
315863.00 364990.00 347522.50 348772.50 386833.50 398028.50 372983.00 352154.00 362665.00 385585.50 436854.00 427057.00 415964.50 422038.00 418102.00 324284.50 399576.00 338825.00 328065.50 418053.00 340860.00 374249.50
Arg-Met-Phe-Trp
1008875.00 1152951.50 1059014.00 1047034.50 1053047.50 1021589.50 1137178.00 1113448.50 1248672.00 1207529.50 1266022.50 1175914.50 1237449.00 1094483.50 1020511.50 1056847.00 1007067.50 985664.00 918565.00 935956.00 1063798.50 1371751.33
Arg-Phe-Phe-Cys
289839.50 312723.00 409886.00 372996.50 378526.00 430639.50 437380.50 445135.00 567552.00 719907.00 615542.00 634797.00 637949.50 382472.50 288131.50 272065.00 323969.50 281386.00 243663.00 343108.00 311595.50 1453628.50
Arg-Pro-His-His
- - 457670.00 435006.00 211944.50 397484.50 84317.00 104697.50 74877.00 464003.00 453884.50 486636.50 424731.50 231085.00 - - 132236.00 - - 383092.00 - 227587.33
Arg-Thr-Asp-Tyr
196256.00 214630.00 609148.00 599302.00 570851.00 464038.50 311191.00 206679.00 267240.50 540253.00 582510.00 617600.00 428249.50 275538.00 225317.50 221998.50 249402.00 255894.50 218131.00 317441.00 253440.50 382283.50
Arg-Thr-Gln-Tyr
80167.00 119729.50 53344.00 42913.50 74244.00 35478.50 97490.50 47445.00 60613.00 53936.00 54584.50 28760.00 37381.50 54327.50 30613.50 22593.00 36277.50 30557.50 29314.50 48818.00 27527.50 86660.67
Arg-Thr-Trp-Gln
446525.00 494089.00 462468.50 496706.00 507082.00 401776.50 426602.00 446362.50 497198.00 456524.50 560538.00 484186.00 525208.50 506654.50 526361.00 548212.50 498546.50 464347.00 487450.00 481783.00 467204.50 520439.83
Arg-Val-Asp-Pro
10257.00 7591.00 20193.50 21266.50 17335.00 20999.50 13551.00 11932.00 11183.50 21817.50 20206.50 19161.50 19856.00 14603.50 12870.00 10869.00 18323.00 18320.50 16097.00 20821.50 16662.00 120777.33
Arg-Val-Tyr-Arg
230383.00 217252.50 230569.50 190266.50 298229.50 204923.00 215633.00 232578.50 198094.50 231355.00 236981.50 229211.00 212973.50 215759.50 229180.50 214648.50 241905.50 254687.50 233856.00 264351.50 255487.50 208189.67
Ascorbate
1295480.00 1572745.50 633556.00 581490.50 598457.00 513340.00 1098045.00 727320.50 1045236.00 867056.00 834511.50 731503.00 612308.00 664704.50 174075.50 183970.00 244113.50 223133.00 182874.00 376180.50 218138.00 587745.33
Asn-Asn-Ser-Tyr
356997.00 418151.50 384020.00 354957.50 393852.00 380277.50 375787.00 411572.50 410177.50 316062.00 374037.00 360688.50 384171.50 349074.50 360504.00 390486.50 333251.00 295078.50 354656.00 344147.00 324585.50 364681.17
Asn-Glu-Asp-Ile
966811.00 956241.50 884034.50 841279.00 805473.00 812792.00 844863.00 996677.00 1119781.00 881169.50 895412.50 858792.00 848616.50 890773.00 976040.50 855054.00 895156.00 915264.50 838323.00 782920.50 935343.50 908137.83
Asn-Glu-Ile-Ser
292410.50 289775.50 337994.50 291128.00 301912.50 315245.00 290295.50 315077.00 268864.50 279114.00 291845.00 291291.00 291101.50 289970.50 226846.50 212602.00 209800.50 220746.50 225956.00 244333.00 229117.00 264409.50
Asn-Glu-Ile-Trp
674967.00 601902.50 1282492.50 1395145.50 1172543.00 1455377.00 822718.50 963487.50 786655.00 1381342.50 1506329.50 1422045.50 1414013.00 1137599.00 370011.00 305897.50 1245023.00 860297.00 565444.50 1497800.50 406602.50 1126883.33
Asn-Gly-Ser-His
229050.50 245156.50 246412.00 221807.00 145240.50 256724.00 190193.50 233290.00 326307.00 238039.00 309618.50 265968.50 246751.50 233778.00 156820.00 151715.50 107391.00 103187.00 122393.00 177431.50 122101.00 202524.33
Asn-Ile-Gln-Ile
6788927.00 5941126.50 7230226.50 7088805.00 7452675.50 7638973.00 8326805.50 7967983.00 8414192.00 7783100.00 7504496.50 7737690.00 9132171.00 8841499.50 6189175.00 5083480.00 9114774.00 9232355.50 8692029.50 8071430.00 8847054.50 7529643.50
Asn-Leu-Trp-Ser
555388.50 501403.00 496391.50 447232.00 478505.50 537895.00 557988.50 512323.00 561052.50 546556.50 553226.00 521364.00 528793.50 542089.50 572005.00 553750.00 605808.00 528389.00 495360.00 607592.50 581207.50 517266.50
Asn-Lys-Asn-Pro
12704.50 13395.50 17958.50 19646.50 19590.00 16604.50 15934.00 14282.00 13087.50 16258.50 15234.50 15419.50 13388.50 15426.50 17019.50 14926.50 20061.00 22901.00 21657.00 19195.50 18643.50 86593.17
Asn-Lys-Gly-Ser
428368.00 387632.00 638412.50 624293.50 634560.50 550174.50 493672.00 449872.00 469526.50 680074.50 685599.50 636470.50 599074.50 513514.50 416609.50 326380.00 547252.50 549456.50 487901.00 560594.00 517583.50 541636.50
Asn-Met-Trp-His
200235.50 202663.50 248146.00 226375.50 231415.50 229159.00 209524.00 189450.00 193790.50 207425.50 230287.50 220490.00 207046.00 199171.00 274254.00 276233.50 273651.50 286152.00 258127.00 259619.50 273347.00 427343.33
Asn-Thr-Gln-Pro
681819.00 607884.00 938393.00 1018367.00 949008.50 1074087.00 812043.50 1004708.50 948749.00 1042688.00 1065257.50 1138154.00 1009915.50 986424.50 540604.00 445277.50 1066227.50 1110754.50 988675.00 1052023.50 915393.00 903993.50
Asn-Trp-Val-His
551787.00 604739.50 333074.00 315953.50 420921.50 358363.50 465852.50 450861.00 540711.00 416911.00 381590.50 392485.00 393911.50 412038.00 650142.00 769198.50 510163.00 585802.00 712312.00 366044.50 660571.00 472542.00
Asn-Trp-Val-Pro
280743.00 293194.50 467204.50 416538.00 432325.50 489987.00 413392.50 468899.00 482102.00 374939.50 434572.00 401734.00 445448.50 449352.50 244790.00 189300.50 469606.50 474748.00 428566.50 507213.50 351494.00 447273.83
Asp-Asp-Asp-Pro
434149.00 426549.00 175730.00 83893.00 151862.00 102963.00 289320.50 232704.50 209497.50 159480.50 75230.00 73152.00 98331.00 99398.00 389478.00 416277.00 78111.00 114213.50 153685.00 70515.50 229629.50 190957.33
Asp-Asp-His-His
129580.50 138143.50 475424.50 417680.00 408748.50 382121.50 273335.00 262719.50 169465.50 407608.00 430043.50 423970.50 394072.50 293901.00 174673.00 197008.50 369267.50 299333.00 259857.50 321171.50 264331.50 331670.17
Asp-Cys-Cys-Ser
115351.00 125424.00 - - - - - 112441.00 154072.50 - - - - 150812.00 - - - - - - - 165858.50
Asp-Glu-Gly-Ile
329083.00 288888.00 265737.00 297998.50 279541.50 274305.50 277704.50 354112.00 327181.00 295258.00 268410.50 311231.00 331418.50 318343.50 360743.50 368421.50 276696.50 311409.00 317522.50 267817.50 276386.00 329831.33
Asp-Glu-Ile-Leu
510962.50 507979.00 452272.50 499166.00 515886.50 445042.00 399601.00 444662.50 550537.00 503270.50 478746.50 552867.00 445504.50 347247.00 496452.50 537633.00 427123.00 429781.50 402036.50 422827.00 394837.50 472177.50
Asp-Glu-Ile-Phe
654885.50 730422.50 709520.50 674237.00 733437.00 600853.50 721110.50 662803.00 725412.50 702401.50 657507.50 708280.50 688921.00 655421.50 804781.00 835347.50 663853.50 813556.50 720967.00 653712.50 778193.00 707889.33
Asp-Glu-Ile-Ser
763447.00 828115.50 1262236.00 1314785.50 1439493.00 966226.50 865629.00 834676.50 863864.50 1322770.00 1417774.50 1375697.00 1074315.00 831365.00 853210.50 714249.50 832615.00 671723.00 685903.00 916733.00 751485.00 1094965.50
Asp-Glu-Ile-Thr
1340142.00 1251891.00 1985018.50 1896447.50 1826401.50 1997321.00 1625722.00 1358255.50 1444816.00 1715123.00 1704425.50 1920573.50 1688538.50 1621238.50 1139450.50 923582.50 1802881.00 1660510.00 1574283.50 2007387.50 1280908.50 1662779.67
Asp-Gly-Ser-His
1881720.00 2041315.00 801535.50 899678.00 1111298.50 557043.00 1307804.00 648446.00 1039678.50 863679.50 139844.00 210732.00 540601.50 571925.50 3345308.50 3700241.00 906870.00 1735050.50 2444228.00 194795.50 2817747.50 1415099.83
Asp-Ile-Asp-Ile
1789689.50 1661386.00 2549021.50 2447614.00 2549111.50 2412146.50 2305136.00 2297884.00 2178361.00 2871943.00 2585588.50 2463569.50 2639256.50 2510931.00 1978862.50 1434988.00 2510172.50 2765241.00 2448439.50 2579667.00 2509657.00 2455823.33
Asp-Leu-Gly-Ser
1619236.00 1674404.50 55919.00 220084.00 1394405.50 72684.00 1764960.50 792756.00 993001.50 56225.00 62747.00 144445.50 96048.50 1064985.50 373289.50 522049.00 101740.00 157985.50 225132.00 42131.00 313946.00 882889.00
Asp-Leu-Leu-Asp
1482725.00 1461890.50 1603194.50 1577348.00 1686428.50 1524125.50 1460487.50 1476854.00 1546641.00 1607935.00 1571288.50 1533693.00 1470276.00 1424666.50 1518906.50 1688317.50 1610915.50 1517331.00 1526342.00 1525346.00 1528862.00 1393206.67
Asp-Leu-Leu-Ser
2241958.00 2134819.00 3599956.50 3332562.00 3261721.00 2896517.00 2413815.00 2254460.00 2193870.50 3388165.00 3486212.50 3490172.00 2868828.00 2508831.50 2068462.00 2014925.50 2428545.50 2461050.50 2363440.00 2514191.50 2724326.50 2732675.50
Asp-Leu-Leu-Thr
322788.50 405494.50 266332.50 275028.50 239783.50 284899.00 317793.50 251183.00 309646.00 219640.50 279788.50 296333.00 242914.00 221560.00 374005.50 397893.50 331525.00 390135.00 325444.50 313417.00 324715.50 317494.17
Asp-Leu-Lys-His
423752.00 365809.00 520462.50 528952.00 547491.00 530530.00 449768.00 379833.00 439482.50 508096.00 500545.00 530748.50 530548.50 379294.50 385527.50 351558.50 481479.50 453029.50 436217.50 487820.00 376095.00 503416.33
Asp-Leu-Lys-Lys
124376.50 103965.00 238265.00 236181.50 240903.50 208469.50 153325.00 149338.00 164081.00 225025.00 238801.00 222763.00 193116.00 140355.50 127261.50 117667.00 185711.50 128572.00 139704.00 144101.00 151882.50 359140.83
Asp-Leu-Lys-Thr
167717.50 140168.00 217673.50 189212.00 218782.50 164787.50 178032.50 124845.50 149547.50 245354.00 231886.50 191009.50 168381.00 166742.00 148402.00 143096.50 146053.00 161708.50 147419.50 141019.00 139378.50 185162.67
Asp-Leu-Met-Thr
1726865.50 2092969.00 3194520.00 2952258.50 2244398.00 2487084.00 1795742.00 1797321.00 1834517.50 2516373.00 2668810.00 3083950.00 2503089.50 2027030.50 1203750.00 1522549.00 2368625.00 1869874.50 1648111.00 2265476.00 1437963.00 1979203.83
Asp-Leu-Ser-His
- - 98438.00 95951.00 70587.00 101065.00 - - - 106789.50 111735.00 107700.00 126976.50 66919.50 - - 44339.00 - - 98236.00 - 61319.33
Asp-Leu-Thr-Thr
313568.50 340771.00 511327.00 436436.00 471995.50 470867.50 394845.50 329895.50 318998.00 368823.00 404422.50 382600.50 398528.50 307861.50 309373.00 253010.50 441001.50 374375.00 339706.50 443874.00 336441.00 385561.17
Asp-Lys-Trp-Gln
111086.00 106906.50 467836.50 472722.00 447944.00 329946.50 221039.00 165557.50 165566.00 440094.50 442803.50 435314.00 354926.50 223491.00 133539.00 138579.00 267667.50 232638.50 215546.00 310212.00 219097.00 302836.83
Asp-Lys-Tyr-Tyr
173464.00 212344.00 280605.50 350304.50 259084.00 265449.50 167621.00 172474.00 203588.00 336409.50 300126.50 301326.00 312359.50 246983.50 - - 212953.00 177702.50 174350.00 257144.00 206808.00 236116.50
Asp-Met-Phe-Val
295244.00 357743.50 408810.00 405788.00 364062.00 436787.50 399656.00 413009.00 442140.00 513711.00 517740.00 536864.00 626820.50 528305.50 270145.00 280152.00 294301.50 315042.00 279926.50 304077.50 312603.00 796230.67
Asp-Met-Pro-His
87517.00 98623.50 157756.50 185310.00 124623.00 231883.00 89631.00 88209.50 86928.00 117635.00 104859.00 129768.00 146526.00 82732.00 212192.50 210183.00 262903.50 240016.50 225457.50 227926.00 248055.50 109202.17
Asp-Met-Pro-His_1
230576.00 230009.00 148529.00 141549.50 156711.00 138184.50 197377.00 205050.00 198120.00 142094.50 120235.50 129450.00 144686.00 158072.00 219890.00 232380.00 238770.00 240016.50 222569.50 234573.00 245155.50 175222.67
Asp-Met-Thr-Ser
203412.50 146304.00 458216.00 397812.00 360666.00 442891.00 233392.50 322225.50 183087.50 388227.50 359682.00 398613.50 418773.00 325713.50 335980.50 290063.00 646633.00 544202.00 430079.00 560290.00 363608.00 430302.17
Asp-Met-Thr-Thr
184366.50 134590.50 320682.50 296912.00 242496.00 291271.00 164691.00 198367.50 166801.50 244258.00 223813.50 256652.00 327141.50 218102.50 363361.00 360327.00 413642.50 433243.00 438532.50 375905.00 375828.00 333632.50
Asp-Phe-Thr-Thr
451787.50 341350.50 821336.50 837621.00 753714.00 841869.50 521074.50 710508.50 638645.00 967066.50 982852.50 833762.00 901078.50 754195.00 343193.50 343837.50 837105.50 736336.00 626317.00 889185.50 538229.50 702140.17
Asp-Pro-Pro-Ser
336656.50 390274.50 346276.00 294005.00 395491.00 378988.50 355448.50 501704.00 429330.00 327347.00 330582.00 325191.50 328389.00 412014.50 341037.50 327904.50 285258.50 350212.00 275184.50 306408.00 348558.00 348811.00
Asp-Thr-Thr-Asp
- - - - - - - - - - - - - - - - - - - - - 146334.33
Asp-Thr-Thr-Val
294339.00 306039.00 289897.00 315247.00 300617.50 274662.00 275140.50 252818.50 297669.50 289819.50 288603.50 326571.00 309799.50 313558.50 244355.50 259096.00 321084.50 268227.50 275976.50 306673.50 270152.50 300957.17
Asp-Tyr-Tyr
324670.50 364122.00 340583.00 343406.50 358004.00 359042.50 361713.00 374197.50 334207.50 371108.00 344799.50 398262.00 292724.00 316265.00 353501.00 353369.00 359436.50 338516.00 320029.50 344831.00 367654.50 335506.33
Asp-Tyr-Tyr-His
59308.50 50778.00 49461.00 54648.50 49432.00 52143.50 46613.50 40269.00 28563.00 33482.50 31305.00 31492.00 29464.50 35970.50 150931.50 126468.50 97566.50 112474.50 141793.00 108317.50 142607.00 75067.83
Asp-Val-Asp-Pro
893896.50 824231.50 737767.00 708394.00 841527.00 718965.50 754785.00 752810.50 847781.00 834999.00 783999.50 919990.00 895949.00 801120.50 670041.00 686051.00 598954.50 552254.00 593994.50 696471.50 667164.50 748486.33
Asp-Val-Gly-Pro
320536.50 298719.00 520678.50 508293.50 528286.50 457369.50 380614.50 366586.50 334498.00 509321.00 538694.50 500631.00 443182.00 367235.00 252629.50 236831.50 360772.50 332398.50 278231.00 382529.50 294777.00 408190.67
Asp-Val-Pro-His
134579.50 131045.00 184888.50 184408.00 182952.00 174821.00 145462.50 131388.50 156316.50 199118.50 217597.00 205809.00 200525.00 143988.00 159671.00 132039.00 193933.00 199671.00 151172.50 202955.00 179987.50 179309.00
Bakkenolide A
161334.50 136199.50 169119.00 168729.50 124567.50 142493.00 154570.00 217476.50 126563.50 191038.00 183909.50 177617.00 163804.00 173852.50 162483.50 138209.50 147128.00 152382.00 154787.00 147067.00 173449.00 177686.67
Benz[a]anthracene
2676457.50 3174038.00 3416152.00 4005647.50 2992218.50 3606384.00 2770390.50 2957391.00 3806328.50 4057489.00 3840727.50 4151423.50 3004599.00 3326667.50 2262066.50 2947404.50 2736232.00 3091787.00 2707278.00 3243956.50 3139905.50 2942824.83
Benzidine
312419.50 243947.00 272228.00 248811.00 256297.00 304174.50 297366.00 247754.00 240973.00 281980.50 236681.50 274989.00 360968.50 299463.00 381331.50 426230.00 375477.50 368082.00 333092.00 350234.00 389730.50 327920.67
Berberastine
57681.00 62600.00 91002.50 65618.50 52549.00 96131.00 52184.50 78432.00 72446.50 87214.00 73868.50 74200.00 100756.00 82041.50 - - 81693.00 - 64464.00 103340.00 62847.00 139567.00
beta-Alanopine
1709349.50 1720732.50 1726901.50 1972815.50 1908063.00 1208654.00 1756765.50 1441830.00 1559558.50 1341441.00 1373898.00 1380674.50 1332122.00 1570072.50 1171592.50 1551672.00 1367907.50 1736026.50 1156145.00 1422023.50 1469724.50 1319509.83
beta-D-Sedoheptulopyranose
566384.00 526986.00 423616.00 410677.50 501376.50 505704.50 580589.00 561036.50 574328.50 469580.50 465696.00 457888.00 458857.00 493642.50 564299.50 583436.50 583814.50 527234.00 589956.50 534991.50 643829.00 524203.33
Bis-D-fructose 2^,1:2,1^-dianhydride
2284590.00 2244753.00 2138264.00 2092791.00 2230077.50 2182722.50 2179879.00 2128038.50 2138712.00 2170193.50 2154593.50 2136259.00 2129040.00 2007001.50 2433345.00 2439007.50 2260924.50 2250045.50 2203062.50 2418775.50 2340182.50 2256300.33
Boc-Asn
351406.00 274127.00 363069.50 380413.00 405327.00 334313.50 308028.50 313405.50 317578.00 349898.00 317025.50 299074.50 346923.00 359989.50 382810.00 346487.50 404281.00 348392.50 351094.50 379988.50 375669.00 367067.50
Butanoic acid
351632.50 417685.50 230303.00 326469.00 298559.50 267627.00 298003.00 220871.50 245560.00 225093.50 201191.00 191035.50 160825.00 139213.00 897424.50 760662.00 255476.50 337026.50 472236.00 262198.50 623665.50 345212.67
Camoensine
8371288.50 6284426.00 9119794.50 8491012.00 8912449.00 8702218.00 8283749.50 5659016.00 5335038.50 - 6347902.00 5739436.50 4586332.50 6018024.00 7000346.50 7287267.00 7493142.50 7090305.00 6577883.00 7222819.00 7434627.00 8223747.00
Cantleyine
1216945.00 1320491.50 412016.00 733977.00 848875.50 - 921685.00 1117956.00 1544730.50 - 476801.00 572508.00 732589.00 1531988.00 1415161.00 2086527.50 756712.00 769100.00 756284.50 548254.00 1298009.50 939464.83
Cardiospermin
206437.00 168376.00 249006.00 217205.00 244523.00 226396.00 201465.00 206656.00 172975.00 210147.50 204989.50 179550.00 197981.00 147910.00 258819.50 232367.50 290524.00 237005.50 238930.00 245289.50 241820.00 248691.17
Celloheptaose
- - - - - - - - - - - - - - 111565.00 - - - - - 84894.00 175487.00
Cellohexaose
- - - - - - - - - - - - - - - - - - - - - 225388.17
chelidamate
104889.00 92786.50 113269.50 112701.50 103610.50 102319.00 83088.00 88435.50 78817.50 102691.00 103037.50 91245.00 106076.00 92975.50 119779.50 150588.00 113173.50 122639.00 113478.00 125813.00 134463.00 115537.33
cis-Acetylacrylate
566677.00 692556.50 424541.00 453687.00 517008.00 499258.50 484781.50 593898.50 597069.50 475828.50 468465.00 469380.00 541511.50 579925.50 616694.50 657204.00 509208.00 526405.50 553174.00 503366.50 630879.00 464313.67
cis-Aconitate
1307423.50 1922134.00 1133737.00 1318944.50 1924944.00 952759.00 1245363.50 1168128.50 1653273.50 1007715.50 640885.50 1567229.00 1017824.50 1148158.00 1533256.00 1992708.50 2030860.00 2471959.00 2245334.00 759957.50 1845748.50 9545760.83
Clavaminic acid
205363.00 226176.00 193035.50 218552.00 203911.00 204283.00 171893.50 159911.00 178356.50 194728.00 209629.00 203528.50 223265.50 180427.00 208496.00 189362.50 195820.00 183058.50 186166.50 215762.50 188185.50 198033.83
Clavulanic acid
115854.50 107415.50 145838.00 136345.50 137466.50 132909.50 126793.50 129845.00 112527.00 129444.00 144130.50 133874.00 135991.00 113598.50 127120.50 112336.50 122208.50 139243.50 99505.50 112100.50 130131.50 131520.33
Convoline
244145.00 294123.00 328302.00 270825.50 276574.50 298581.50 242518.50 297317.00 332812.50 353475.00 331087.50 306718.50 305629.00 311752.50 306247.00 281784.50 277136.50 234583.50 232948.50 304870.00 291590.00 315123.83
Cyanazine
328612.00 - - - - - 400270.00 454205.00 - - - - 381095.00 - 892226.50 1066749.00 547147.00 711684.50 766356.50 454250.50 793906.00 594646.33
Cys-Cys-Gln-Pro
- - 145802.50 129649.50 82330.00 193608.00 - - - 174980.00 147025.00 150189.00 219444.00 67063.50 - - 71556.00 - - 125030.00 - 119040.67
Cys-His-His-His
- - 228383.00 257446.00 243345.00 179721.50 257114.00 - - 181827.00 190888.50 225203.50 169929.50 184947.00 229136.00 - 263882.50 257962.50 199833.00 265925.50 236549.00 -
Cys-Met-Gly-Ser
515605.50 424428.50 486994.50 538973.00 548215.00 601923.50 541100.00 557829.00 433917.50 433835.50 413300.00 382037.00 489828.00 488826.00 836593.50 939200.00 789910.00 796454.00 852722.00 523128.00 859955.00 599673.83
Cys-Met-Thr-Ser
192523.00 180069.50 292341.50 254845.50 239422.00 268844.50 252183.50 283246.50 243408.50 325057.00 280000.50 304749.50 310452.50 268431.50 128921.50 159994.00 283051.00 299425.50 226826.00 317544.50 281345.00 254147.50
Cystathionine
- - - - - - - 87709.00 89160.00 - - - - 121054.00 - - 92368.00 - - - - 174890.00
Cys-Trp-Cys-Gly
143774.50 152511.50 129822.00 148818.50 124944.50 120722.00 126228.00 146035.00 135090.50 117325.00 111337.50 123006.50 99014.50 126348.50 112204.50 117784.00 121896.00 103171.00 115430.00 111574.00 103774.00 142926.00
Daminozide
295616.50 283714.50 342492.00 283632.50 350896.50 344601.00 329533.50 350792.50 289743.50 279389.00 309155.50 295525.50 288404.50 286985.50 247933.00 265444.00 256187.00 242818.50 243335.50 310057.50 239351.50 279015.00
D-Arabinonate
8937715.50 9384527.00 8740352.00 8361524.00 8418526.50 9170697.00 8776612.00 9373690.00 9335859.00 8410037.00 7997113.50 8212241.00 9203492.50 8663408.50 13100000.00 12850000.00 11450000.00 11850000.00 12150000.00 10850000.00 12450000.00 10187768.00
decanamide
125763.50 138357.50 147877.00 136209.00 150425.50 126954.50 132698.50 149771.50 163364.50 141501.50 177706.00 148160.50 132131.00 120469.00 118923.50 160463.50 126785.50 112972.00 109552.50 111877.00 111279.50 143823.83
Decanoic acid
5190965.00 2736092.50 4765896.50 3628203.00 3541276.50 4541670.00 4526230.50 4366184.50 2187438.00 4223421.00 4202996.50 3954363.00 3911591.00 4714301.00 5273653.50 3041267.00 3758671.50 4620672.00 4135648.50 4107248.50 4396775.50 2008396.17
Deoxyguanidinoproclavaminic acid
779177.00 860405.00 727203.50 623716.00 742336.50 852921.00 743713.50 727491.50 766933.00 686351.00 619746.00 688657.50 684158.50 680828.00 800308.00 892295.50 758277.00 837442.00 667502.50 701476.50 773829.50 805970.67
Deoxyribose
1719494.00 1741349.50 1398954.50 1399046.50 1436120.00 1493826.50 1722833.50 1598548.00 1642933.00 1351747.50 1336365.50 1314830.50 1694432.00 1754617.00 1811468.00 1695091.50 1780240.00 1860822.00 1735294.50 1580577.00 1781702.00 1618044.50
D-Erythrose
3115652.00 3196233.50 3811090.00 3485199.50 3641020.00 3872326.00 3123811.00 3280059.50 3116693.00 3752045.50 3503875.00 3471780.50 3614542.50 3413520.00 3915777.50 3867829.00 3896111.50 3913967.00 3771040.50 3852039.00 3775298.00 3576319.33
D-Erythrulose
436676.00 465077.00 403368.00 368378.50 316531.00 384604.00 413959.00 438491.50 456805.50 329456.50 291551.50 419440.00 381057.00 365750.50 463648.00 499230.00 422221.50 415345.50 408326.00 441872.50 418653.50 437216.67
D-Galactose
3229419.00 3306551.00 2825052.00 2821319.50 2788951.00 2986654.50 3171400.50 2864818.50 2953550.50 2828844.00 2924228.00 2841333.00 2928176.50 2871587.00 3184285.50 3166714.00 3030551.00 3223847.00 3005480.00 3159004.50 3163336.50 3022367.83
D-Galacturonate
1327682.00 1538845.00 423482.50 473681.00 1029029.50 416856.50 1047706.50 1091160.00 1089548.50 388849.00 300471.00 435113.00 425633.00 824970.00 1596712.00 1860118.50 874727.00 861946.00 1062934.00 586069.50 1178718.50 861724.67
D-Gluconic acid
4134159.50 3757854.50 7892957.50 7670867.00 4793440.00 8312438.50 5011692.00 4472128.50 3943622.50 7923448.50 7908636.50 7399795.00 7874725.50 5390711.50 4284701.00 3385311.50 5611557.00 5874882.00 5284292.00 7919792.00 5127734.50 6076071.83
D-Glucono-1,5-lactone
1921182.00 2036070.50 452792.50 547064.50 1365291.50 596007.00 1619705.50 1606162.50 1780661.00 428364.50 351337.00 508446.50 508078.50 1703855.50 1993955.50 2263044.00 1346222.00 1351340.00 1272408.00 743066.00 1597331.00 1172102.33
D-Glucosamine
126944.50 141945.00 147083.00 153138.00 141809.00 147570.00 185129.00 155348.50 142133.50 137643.50 145000.50 176902.50 165364.00 145041.00 143849.00 163929.50 140949.00 154060.50 114641.00 147191.00 143673.00 196601.67
D-Glucose
18550000.00 17450000.00 18900000.00 18800000.00 19150000.00 21500000.00 19500000.00 18700000.00 18700000.00 16950000.00 16600000.00 16500000.00 16600000.00 18900000.00 14550000.00 14750000.00 15000000.00 14700000.00 15050000.00 17650000.00 14900000.00 17216666.67
D-Glucose 6-phosphate
448736.00 428622.00 128793.00 110776.50 308071.50 107865.00 478256.00 239414.00 315165.50 139580.00 77800.00 101448.00 114740.50 262350.00 188950.50 167373.50 116064.50 141515.00 158971.50 104919.50 187697.00 416184.33
D-Glucuronate
211817.50 190426.00 212677.00 226016.50 239658.00 204812.00 200704.00 209497.50 185719.50 233482.00 199444.00 234361.00 261905.00 222951.50 143805.50 181673.00 179766.50 188568.50 162697.50 188976.50 165814.00 2846332.83
D-Glycerate
257699.00 262842.00 1966340.00 1040674.00 190247.00 1260315.50 223420.00 147136.00 139691.00 1947896.00 2030785.50 744895.00 1039477.50 151759.50 277358.50 253968.00 155776.00 170162.00 189791.00 305135.50 207403.00 650044.00
Dihydro-4,4-dimethyl-2,3-Furandione
750856.00 728434.00 837325.50 1045040.00 749846.00 796312.00 713343.00 538957.50 714813.00 884615.00 969905.50 857953.00 801978.50 621049.50 626467.00 620095.50 564838.00 602799.50 533263.00 779503.50 642336.00 684870.17
Dihydroxycoprostanoicacid
671580.50 621957.50 673931.50 642360.50 772058.50 819269.00 669943.50 764268.50 720813.50 648058.00 671260.00 707647.00 503114.00 666023.50 836481.50 814817.50 873723.50 878787.50 742270.50 837510.50 839749.00 773631.67
D-Mannonate
5253497.00 5281326.00 4415148.50 3867135.50 4337796.00 4617586.50 5010622.50 4803295.00 4995357.50 4081069.50 4181598.50 3906359.00 4414132.50 4605542.50 5036214.00 4881308.00 4783870.50 4973373.00 4617750.50 4487374.00 4986294.50 4659414.83
Docosanoic acid
49481.50 85410.50 70785.50 51962.00 37320.50 49267.50 40943.00 59641.00 67562.50 47728.50 91281.50 56549.50 64537.50 40498.00 53643.50 67231.50 62311.00 54282.50 65865.50 60754.50 51098.50 116367.17
Dodecanoic acid
3479086.50 2621031.50 3791174.00 2186284.50 2974566.50 4084615.00 3317677.50 3093438.50 2152493.00 3432348.00 3278476.50 2750912.50 4040445.00 3210931.00 3434538.00 2414254.50 3703588.00 2911173.00 2749886.00 2678391.00 2764474.50 3364130.50
D-Phe-Pro-Arg-CH2Cl
285720.00 324038.50 515502.00 527518.00 407445.00 540442.50 381796.50 518949.50 508765.00 567319.50 593728.00 519838.00 542700.00 482868.00 245634.50 166478.00 514576.50 463181.00 421925.00 621702.50 341917.00 446867.50
D-Ribose
8268804.50 8263136.50 7205159.50 7100053.50 7878631.00 7737234.00 8073046.50 8446820.00 7600125.00 6686983.50 6576650.00 6898734.50 6987571.50 8039504.00 7322110.50 7167434.50 6945995.50 7216711.00 7112747.50 6987698.50 7257869.50 7166843.17
D-Ribose 5-phosphate
2416934.00 2812646.00 681315.50 221342.50 1017259.00 410401.50 1909431.50 577203.00 1135090.50 704511.50 131333.50 99867.00 411059.50 566237.50 898154.00 954568.00 111566.50 257409.00 385471.50 - 713522.00 816199.83
D-Sedoheptulose 7-phosphate
412661.50 403603.00 239669.50 144703.00 332553.50 150006.50 439252.00 280272.00 285006.00 258058.50 64976.00 78223.00 181677.50 262001.00 248167.50 457229.00 92187.00 102040.00 116679.00 72736.50 237014.00 222170.67
D-Serine
1507323.00 1475437.50 1555401.50 1413127.00 1442614.50 1664661.00 1640232.00 1652939.50 1486657.50 1450085.50 1381123.00 1353493.00 1377418.00 1457710.50 1334577.00 1347809.50 1336365.50 1322392.50 1293302.50 1542609.00 1395670.50 1440841.00
D-Tagaturonate
332305.00 399600.50 373701.50 322743.50 332688.00 390206.50 394066.00 358015.50 387155.50 316360.50 279532.00 335031.00 413382.00 397029.00 374347.50 369057.00 327572.00 342161.00 308754.50 328575.00 294493.00 337392.17
D-Xylonate
3780580.50 3673288.00 3432320.00 3335292.00 3267085.50 3522689.50 3490934.50 3359770.50 3289252.50 3386726.00 3256443.00 3307207.50 3288466.50 3295696.50 3538176.50 3631838.00 3449466.00 3331985.50 3499065.00 3396093.50 3511850.00 3565412.83
D-Xylose
135784.00 231273.50 201328.00 164000.00 251128.00 212438.00 212552.00 169070.50 288302.00 182936.50 183601.50 184266.00 186902.50 296040.50 176128.50 195793.00 170444.00 166588.50 220870.00 153553.50 185825.00 1820161.67
Elastin
150443.00 123066.50 178122.00 229007.50 202216.00 204863.00 228869.00 190968.50 156857.50 196394.00 193716.50 208795.00 203535.50 186325.50 152233.00 143518.00 206038.00 254065.00 176022.00 252014.50 188119.00 186930.17
Ethanolamine phosphate
874165.00 979214.00 148150.00 155131.00 558330.50 123509.00 843414.50 2934355.00 2726094.00 131907.50 121718.00 149892.00 134933.50 826285.00 673590.50 642144.00 370895.00 463576.00 499674.50 160321.00 603786.00 592545.67
ethyl propionate
7199757.50 8627355.50 1702221.50 1286088.00 2888390.50 1484441.00 4835785.00 5829206.50 6355270.50 1465554.00 1296791.50 1788157.00 1712034.00 3918914.50 13800000.00 14900000.00 3710684.00 4295048.50 5625836.50 2015186.00 9740930.50 4901459.00
[FA (11:0)] undecanoic acid
666916.00 356747.50 606408.50 500629.50 521624.50 611341.00 533127.50 572255.50 354895.50 567367.50 489395.00 586055.50 548431.00 551064.50 667315.50 373151.00 496596.50 527062.50 558420.00 606405.50 493736.50 311389.00
FA (12:1) dodecenoic acid
1098262.50 823811.50 710234.50 96392.00 774650.50 239272.50 1004315.00 1154385.00 503620.00 894207.00 331037.00 103190.50 204734.00 891608.50 1361378.50 1237858.00 252069.50 392645.00 526071.50 92909.50 787262.00 714199.33
FA (13:1) tridecenoic acid
498001.00 519830.50 82623.00 55338.00 160963.50 66914.00 294149.50 297646.50 232284.00 75080.50 61597.00 59610.50 47296.00 180202.50 639362.50 720319.50 102379.00 152796.50 244242.50 58747.00 368716.00 246960.00
FA (14:1) tetradecenoic acid
498251.50 466022.00 129564.00 80949.00 211127.50 154829.00 339186.50 546608.00 243368.00 184664.00 172055.00 115742.50 127126.50 259084.50 496842.00 575634.50 159039.50 167160.00 138350.00 132878.00 168125.00 222736.00
FA(16:1)
3984589.00 6997178.00 312249.50 169121.00 610455.50 441700.00 1366215.50 6342207.00 2890165.00 342988.50 720967.50 472793.00 445293.00 1509992.00 6763653.00 8473516.50 456659.50 544069.00 608127.50 392970.50 1143824.00 2490000.17
FA (17:0)
417411.50 889989.50 594006.50 434805.00 317354.50 456140.00 360373.50 555047.00 610539.00 430259.00 850123.00 551141.50 536231.50 357535.00 624703.00 749849.50 622074.50 418032.00 521076.00 381690.50 432856.50 850026.83
FA (18:2)
522798.00 2063965.50 667135.00 330238.00 305529.00 515094.50 522949.50 605093.00 1063129.00 431485.00 794724.50 357320.00 678943.50 600881.50 1118821.50 1003527.50 489175.00 446569.00 295356.50 383009.00 684909.00 2587554.00
FA (19:1)
9128390.00 15950000.00 39096.00 - 300103.00 - 1569338.00 3400062.00 3495969.50 29377.00 86408.50 40356.00 - 667751.50 15703707.00 21200000.00 - 128069.00 391814.00 24818.50 1136389.50 4419563.83
FA (20:0)
159521.50 332843.00 292258.50 211844.00 131074.50 223092.00 163734.00 315492.00 328340.00 188631.00 416130.00 178420.00 339511.50 155674.50 210850.50 255923.00 239301.50 219370.50 238712.50 179017.50 177000.50 525756.17
[FA (26:0/2:0)] Hexacosanedioic acid
325284.00 599906.00 71331.00 - 19802.00 - 40710.50 1320996.50 2332339.50 - 36010.00 42563.00 - 67203.00 939610.50 1611577.00 - 31709.50 91653.50 24675.00 163583.50 330760.83
[FA (6:0)] hexanal
660592.00 343260.00 666291.50 628082.50 532420.00 391229.00 944230.00 660933.50 261234.00 298998.00 710788.50 790506.50 634312.50 623952.00 571794.00 456285.50 800783.50 471201.00 552688.00 323122.00 366596.50 150425.33
FA (8:0) octanoic acid
14250000.00 5202813.50 12300000.00 9895339.50 9206286.50 14700000.00 10074787.50 10742838.00 6102338.00 10850000.00 10050000.00 12741727.50 11550000.00 14250000.00 15750000.00 7002731.00 8816269.00 12550000.00 11050000.00 11950000.00 10750000.00 4656407.83
FA (8:1)
381591.50 189093.50 363699.50 336410.50 281397.00 473051.50 346390.50 270162.50 205716.00 419365.50 325867.50 359557.50 336097.50 361389.00 516102.00 411192.00 270119.50 369143.00 323310.00 335049.50 337031.50 236583.17
[FA amino,oxo(6:0/2:0)] 2-amino-3-oxo-hexanedioic acid
2530103.50 2835123.00 1883168.50 1938103.50 2521512.50 1799201.50 2488707.00 2429279.00 2469825.50 1658857.50 1791329.00 1761050.00 1864260.50 2139808.00 2897620.00 3193822.50 2119395.50 2249657.50 1997431.50 1827036.50 2296938.50 2277973.17
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid
166541.50 361307.00 67132.00 47717.00 68153.50 84804.50 105773.50 158119.00 107689.50 76164.50 120204.50 80890.00 74231.00 105107.00 242408.00 324887.00 89156.00 86011.00 78553.50 68870.00 110966.50 108403.67
FA ethyl(6:0)
424290.50 428100.00 413019.50 402685.00 446512.00 467219.50 413781.50 449026.50 502615.50 437556.00 455646.00 501402.50 465446.50 485160.00 420466.00 412620.00 454924.50 430277.00 473060.00 427827.00 430046.50 408658.67
Fagaramide
5878163.00 5441058.50 7561231.00 7216493.00 7357248.00 7911435.00 6476499.00 6005014.50 5907564.50 7527765.50 7583391.50 7275771.50 7615580.00 6344355.00 5273999.50 5090889.00 7027914.50 6713176.50 5882944.50 7479196.50 5916322.00 6751693.00
FA hydroxy(10:0)
1831638.50 2401535.00 165052.00 149623.00 756999.00 81553.00 1241303.50 944888.50 884905.50 149193.50 141548.00 148892.50 105153.00 695038.00 2183895.00 2277328.50 314533.00 579956.00 796418.00 103641.50 1115925.50 832755.00
FA hydroxy(16:0)] hexadecanoic acid
194535.50 238461.50 117217.00 95031.00 107066.00 85069.50 121062.00 408364.00 427192.00 118649.50 155224.00 111010.50 86419.50 176660.00 167236.00 221313.50 95996.00 102929.00 117116.50 99213.00 125987.00 164162.00
FA hydroxy(18:0)
98082.00 136411.50 197776.00 93407.00 90050.50 90478.50 101195.50 161452.50 131560.50 423025.00 137723.50 103662.50 105581.00 105382.50 120595.50 110017.00 127923.50 101033.00 134429.50 85504.50 109456.00 147344.00
FA hydroxy(18:1)]
138745.00 157414.50 999993.00 154556.00 143642.50 134548.50 151251.00 86681.00 - 909527.00 229144.00 102140.50 171324.50 66874.00 820507.00 1096183.50 90702.00 86399.00 87630.00 89099.50 139031.50 372353.33
[FA methyl(11:0)] 10-methyl-undecanoic acid
183210.00 184938.50 170790.50 195859.00 162038.00 177088.50 192878.50 166696.00 206880.00 193827.50 187504.00 190180.00 177056.50 188256.00 185918.50 188881.50 202791.50 230025.00 177276.00 210116.00 195727.50 190770.17
FA methyl(12:0) dodecanoic acid
411892.00 379865.50 388540.50 285382.50 342595.50 465563.50 397541.00 390715.00 233160.50 393117.50 413414.00 408073.50 446332.50 393094.50 434879.00 306334.50 421264.00 434771.50 392792.00 379635.00 383323.50 233065.83
FA methyl(14:0)
565171.00 1416329.00 494257.00 346686.00 363343.50 488582.50 527601.00 699854.50 465332.00 396314.50 729328.00 603348.00 472085.50 404554.50 808578.00 872423.50 555797.50 447168.00 447390.50 457406.50 589688.50 651633.50
FA methyl(16:1)
4326303.50 6038614.50 79594.50 35531.00 188431.00 52433.50 881398.00 2507146.50 1681439.00 45131.50 184476.50 147969.00 54604.00 551367.00 7736404.00 10038893.50 60605.50 132394.00 220030.00 61498.50 471889.00 2304850.67
FA methyl(6:0)
2626894.50 1185599.50 1957924.00 1700457.00 1539925.50 2397030.00 1657329.50 1934657.50 1187961.50 1584173.00 1868934.00 1984280.00 1967159.00 2718996.50 3166565.00 1455226.50 1690784.50 2041866.00 2121382.00 2033349.50 2001298.00 1009252.50
FA methyl(8:0)
33650000.00 8764820.50 27700000.00 22650000.00 18900000.00 34050000.00 26200000.00 21850000.00 10371965.50 28100000.00 21300000.00 29550000.00 27150000.00 29000000.00 33000000.00 11605731.50 20400000.00 25450000.00 24050000.00 31550000.00 23250000.00 8939466.33
FA methyl (8:1)
267237.50 145431.00 271038.00 235857.00 233913.00 370644.00 274456.00 229916.00 136246.00 318414.00 241022.00 306641.50 308996.50 304478.50 264280.00 152017.50 244610.00 267619.00 305452.50 301148.00 221003.50 123021.17
FA oxo(13:0) tridecanoic acid
494731.00 502671.50 - - 108272.50 - 300600.00 305109.00 388257.00 - - - - 176483.00 215655.00 233832.00 79038.00 77725.00 83233.50 - 111492.50 150812.83
FA oxo(18:0)
425850.00 612785.50 583895.50 144246.00 187522.50 185065.50 315041.00 570989.00 418599.00 634454.00 685888.00 400906.50 193155.50 264737.00 2071669.50 2965545.00 160813.50 184486.00 203994.00 168105.50 253701.00 856270.33
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone
858806.50 873398.50 971993.00 1074327.00 805838.50 1199202.50 928421.50 1137436.50 1265970.50 1344498.00 1235463.50 1352315.00 1042569.50 1016742.00 742536.50 640789.50 701525.00 658443.00 842131.50 809582.50 577013.00 960426.83
FA oxo(8:0) oxo-octanoic acid
83234.50 85187.00 72217.50 100494.50 122754.50 108196.50 101399.00 124089.00 111348.50 122736.50 121045.50 103351.50 126123.00 126420.50 111433.50 104646.00 88173.50 86339.00 121440.00 102773.50 93181.00 103984.83
FA oxo(9:0) oxo-nonanoic acid
619649.00 500740.00 818875.00 591002.00 556987.50 564226.00 918706.00 908355.50 257812.50 637659.50 764792.50 733235.00 542798.00 580448.50 498694.00 440221.50 709555.00 735679.50 612628.50 686240.50 561224.00 423909.83
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid
40850000.00 40300000.00 43750000.00 43300000.00 43750000.00 49500000.00 44100000.00 43300000.00 42150000.00 42700000.00 42750000.00 43300000.00 44850000.00 41100000.00 74250000.00 65800000.00 65600000.00 65300000.00 65350000.00 58500000.00 68200000.00 52850000.00
formycin A
314622.50 348930.00 262475.50 303927.50 316178.00 308131.00 357564.00 331867.00 348883.50 350566.50 342646.50 369111.00 360944.50 310929.50 308019.50 239017.50 299301.50 322041.00 288320.50 405313.00 291863.50 323002.83
furaneol glucopyranoside
382079.00 361289.00 422239.00 382447.50 431671.50 500006.50 345925.00 392680.50 326996.50 379937.50 363933.00 385934.50 418377.50 306558.50 378644.50 280745.50 326972.50 374887.00 328297.50 354659.00 279706.50 361745.83
Furfural diethyl acetal
524268.00 525913.50 1340909.00 1392441.00 948585.00 1206841.00 672048.50 604651.00 559211.50 1360013.00 1460367.50 1386782.00 1189563.00 720623.00 262274.50 261158.00 664735.50 431519.50 301117.00 1045886.00 313450.00 821776.67
gamma-Amino-gamma-cyanobutanoate
195272.00 189871.50 198818.00 208566.50 237131.50 191922.50 200916.00 194222.50 233134.50 212787.00 255224.00 243996.50 212522.50 172881.00 206701.50 211794.00 243703.00 243633.50 193712.00 205417.00 229426.50 209232.83
gamma-Glutamyl-beta-cyanoalanine
688584.50 609387.50 592210.00 620936.00 677469.50 620355.00 607697.00 607321.00 591800.50 577599.00 559128.00 555883.50 568149.50 609178.00 562813.50 551814.00 619557.00 591267.00 488983.50 559946.50 608052.50 561124.00
gamma-glutamyl-p-nitroanilide
605263.50 906492.50 - - 148035.00 - 275747.00 292487.00 424791.00 - - - - 150684.00 1110726.00 1492980.50 - 176905.50 296844.00 - 490268.50 347441.00
gamma-Undecalactone
5081294.00 7180739.00 160760.50 134065.00 1086796.50 107379.50 2412769.50 1979365.50 2171000.50 127657.00 129706.50 109156.00 122436.50 649381.00 6663085.50 8338563.50 475020.00 1051965.00 1717490.00 107409.50 2969454.00 2255979.17
Gentioflavine
973766.50 1077653.00 831683.50 868819.50 939799.00 766371.50 710734.50 1418020.00 1194876.00 945881.50 1018147.00 1121232.50 923694.50 932205.00 791309.00 1299856.00 1122989.00 847627.50 764354.00 791032.50 865441.00 901654.17
Gln-Gln-Pro-Pro
257885.50 214461.50 451867.50 508497.50 593130.50 373494.50 284182.50 254115.00 296197.50 504988.00 549215.00 572850.00 448029.50 309275.00 265587.50 191405.50 313324.00 302133.00 253284.50 369230.00 357215.50 378091.33
Gln-Ile-Gln-Ile
3523965.00 3083189.50 3203399.50 2544072.50 2625271.00 2643503.00 3747539.00 3378327.50 3556732.50 2961264.50 2660984.00 2569514.00 3032625.00 3314697.00 3128621.00 2536267.50 3407134.00 3794628.50 3364140.00 3408456.50 3760784.50 3385406.00
Gln-Ile-Ile-Tyr
763346.00 819368.00 1907227.00 1661936.00 1637864.50 1366605.50 1056991.50 937097.50 819635.00 1534864.50 1652249.50 1731071.50 1435877.00 1008613.00 1057295.50 740663.00 1121035.50 1205252.00 1052474.50 1208592.00 1126421.00 1311900.33
Gln-KPA
460570.50 428717.50 461573.00 546098.00 563491.00 484827.00 495921.00 529035.00 502538.00 547033.00 542028.50 567948.00 519702.00 557831.00 495385.50 474793.50 601862.00 557299.50 509559.50 561622.00 558698.50 568429.67
Gln-Leu-Met-Gln
1539238.50 1469090.00 1607147.00 1685435.50 1504106.50 1762618.00 1730266.00 1819874.50 1845074.00 1689705.00 1813910.00 1789089.50 1760812.50 2097555.00 1199649.50 1000536.50 1719752.00 1760715.00 1537235.50 1666426.50 1536868.00 1618679.83
Gln-Lys-Pro-Pro
389038.50 271018.00 5544013.00 5498679.50 3557615.50 5520388.50 1557004.50 1988554.50 1583985.50 5444587.00 5625417.00 5320023.50 5125279.50 3323227.00 - - 2109502.00 678752.00 346620.00 5349435.50 146783.50 3228419.50
Gln-Phe-Phe-Tyr
205856.50 244723.50 273674.50 292523.50 237402.00 236060.00 250379.50 278327.50 328951.50 274793.50 328494.00 278753.00 289643.50 250849.00 241633.00 215671.50 241104.50 257669.00 242197.50 239188.50 294081.00 134781.83
Gln-Pro
272290.00 287947.00 355273.00 314351.00 395279.50 363407.50 324025.50 350098.00 289261.50 325483.00 359122.50 342287.00 316871.00 305308.50 300299.50 270833.50 316452.00 302366.00 304745.00 309485.00 324593.50 335344.50
Glu-Ala-Ala
351292.50 383794.00 239983.50 315947.00 319361.00 338714.50 333942.00 376355.50 325668.50 313185.00 321625.00 286018.00 304010.50 473760.50 360204.50 399635.50 330819.00 346641.50 342643.00 361888.00 363716.00 357886.67
Glu-Ala-Asp
- - - - - - - - - - - 133033.00 - - - - - - - - - 474245.17
Glu-Ala-Gln-Gln
69226.00 43622.50 - 29352.00 43118.50 - 53651.50 39383.50 25803.50 - - - - 25239.50 151360.00 139794.00 93328.50 136036.00 147868.50 75919.00 159087.50 56883.00
Glu-Ala-Gly-His
570056.50 491839.50 970816.00 710063.50 949179.00 835197.50 708434.50 689500.50 683165.50 821830.00 1079520.00 883313.50 835462.00 789048.00 780735.50 716000.00 897480.00 1019486.50 884634.00 909124.00 926335.00 849399.17
Glu-Ala-Thr
953803.50 1201424.50 - - 389764.50 - 626780.00 421595.50 499068.50 - - - - 546583.50 656850.00 518906.50 - 146539.50 228140.00 - 351076.00 1079075.50
Glu-Ala-Tyr
1468603.50 1403381.00 3152987.00 3011733.00 2833432.50 2972034.00 2059893.00 2073722.50 2113951.00 2899964.50 2742598.50 2671016.50 2967831.50 1812111.00 1696281.50 1095069.50 2932894.00 3063508.50 2690079.00 3291612.00 2453296.00 2451649.67
Glu-Asp-Ile
751222.00 742032.00 748972.00 703320.00 787363.00 723726.50 688539.50 707093.00 697265.00 770083.50 760583.50 768717.00 686432.50 670053.00 825530.00 780513.50 756102.50 773895.00 692899.00 736320.00 824419.50 753639.67
Glu-Asp-Met
133553.00 203538.50 94850.50 97864.50 125153.00 104959.00 144771.50 125178.50 159081.50 119056.50 111329.50 114641.00 130433.00 112921.50 151282.00 142834.00 112826.00 125699.00 120545.50 105115.00 137824.00 152763.67
Glu-Asp-Pro-Tyr
584685.50 475291.00 531462.00 588241.00 669040.50 593035.50 491812.50 595012.00 583315.00 623308.00 548213.00 575211.00 623320.50 518407.00 405325.50 422917.00 511182.00 474561.00 368368.00 496509.50 408117.50 506726.83
Glu-Asp-Trp
797262.00 765345.00 1147563.00 1295898.00 1200205.00 1470239.00 926887.00 1108709.50 1210792.50 1180364.00 1262304.00 1270633.00 1236540.00 1307642.50 2002936.00 2128588.00 3132111.50 2957364.00 2577530.50 3131396.00 2214023.00 1337698.50
Glu-Cys-Cys
225149.00 213296.50 226461.50 251051.00 319542.50 265496.00 327613.50 368865.00 359601.50 261487.00 250219.00 262011.50 338448.50 388928.00 179320.50 120355.00 444304.50 376053.50 316312.00 378609.50 251575.00 298612.33
Glu-Glu-Gln-Ile
368732.50 370821.50 - - 176427.50 - 270982.00 317866.50 348515.00 - - - - 218362.00 445557.50 385975.00 179272.00 302733.50 358344.00 - 430507.00 210508.67
Glu-Glu-Gln-Phe
1671672.50 1886248.50 1496190.00 1452361.50 1653870.00 1569150.50 1508137.00 1690875.50 1777146.00 1661633.00 1625163.50 1478173.00 1783060.50 1523991.00 1940166.00 2054703.50 1628447.00 1661746.50 1533963.00 1668549.00 1778875.50 1698185.83
Glu-Glu-His
272529.50 281131.00 258210.00 275038.50 256142.00 271148.00 284432.50 240968.50 252012.50 256551.00 243637.00 270454.50 259658.50 249354.50 260711.00 255213.00 261663.00 258169.00 230424.50 285345.00 259443.00 264810.33
Glu-Glu-His-Ile
468030.00 537763.00 420220.50 429101.50 424409.50 455855.50 536718.50 553812.00 490359.00 446334.00 437666.00 465191.00 457616.00 452641.50 464377.50 507575.50 440484.00 535442.00 479317.00 501230.50 483316.50 479880.50
Glu-Glu-Ile-Tyr
617009.00 568181.00 1339812.00 1511159.50 1527665.50 1109599.50 840938.50 738562.50 819271.00 1474537.00 1454397.50 1478219.00 1142222.50 866099.00 730838.50 456165.50 803671.50 845713.50 786843.50 924486.00 879221.50 1016431.00
Glu-Glu-Ile-Val
377525.00 361509.00 428980.00 460935.00 498385.00 407903.00 369726.50 443729.50 381044.50 459340.00 494922.50 456125.50 451866.00 414617.50 425193.00 418077.00 400617.50 447813.00 450748.50 421194.50 428891.50 427124.83
Glu-Glu-Met-Met
- - - - - - - - - - - - - - - - - - - - - 138076.67
Glu-Glu-Tyr-Tyr
113612.00 106742.50 180165.50 204697.50 214026.50 183913.00 129861.00 122652.00 116364.50 215471.00 223166.50 207404.50 197399.00 136509.00 89216.50 89430.00 119814.00 113861.50 111020.00 140509.50 138494.50 153567.33
Glu-Gly-Met
339001.00 387785.50 339713.50 434647.00 328320.50 387116.00 308583.50 320135.00 364186.00 390591.50 313960.50 331628.00 320319.00 330662.00 284251.00 324096.00 285883.50 259781.50 198116.50 308117.00 304653.00 318665.33
Glu-Gly-Thr
700524.00 874839.50 761029.50 779183.00 994072.00 847185.00 792252.00 748818.00 715999.00 933716.50 873754.00 845901.00 831727.50 804364.50 785705.00 840564.00 869979.00 898842.50 776389.50 808934.50 853067.50 794307.50
Glu-Gly-Tyr
420011.50 482912.50 417532.00 446615.00 422539.50 380090.00 372523.00 392808.00 442996.50 398199.50 443109.50 376026.50 418236.00 401586.50 582047.00 434831.00 400869.00 382125.50 381381.50 396753.50 417939.00 390926.33
Glu-Gly-Val
3646378.00 3583583.50 3623741.00 3674216.50 3778492.50 3739651.50 3894480.50 3785582.50 3866502.00 3816841.50 3743769.50 3819947.00 3824084.50 3736712.50 3847692.50 3967035.50 4267758.00 4086843.00 3774933.00 3970793.50 4029798.00 3806836.83
Glu-Ile-Lys-Lys
387520.00 355482.50 901893.50 941560.50 953426.00 748403.00 579228.50 545216.50 508018.50 1035129.00 914399.50 1004182.00 817184.00 590302.50 448222.00 380279.50 550576.00 626015.50 557211.50 613185.00 503692.00 1351650.67
Glu-Ile-Lys-Thr
180347.00 185270.50 327345.00 352955.00 312433.00 251879.00 215171.00 189369.50 205030.50 358537.50 341691.00 344193.50 278237.50 237962.00 194581.50 179891.00 214519.00 238286.50 199622.50 264032.50 201475.00 240573.67
Glu-Ile-Met-Phe
- 67330.00 1365156.00 212085.00 81477.50 888412.00 - - - 1413867.00 130298.00 - 844598.00 - - - - - - - - 319151.67
Glu-Ile-Met-Trp
196654.00 188148.50 484354.00 476292.00 397613.00 430420.00 271279.50 284567.50 263088.00 465012.00 440626.50 498776.00 473754.50 401410.00 180608.00 128336.50 342209.50 362656.50 273602.50 358771.00 215062.50 332493.67
Glu-Ile-Ser-Thr
265691.50 331888.50 259928.50 366842.00 347145.00 288688.50 235893.00 305874.50 267641.50 324264.00 327347.50 332309.00 263284.50 340485.00 302290.00 274402.50 265858.50 303543.00 281816.00 298777.00 310373.50 305012.67
Glu-Ile-Ser-Tyr
530345.00 454686.50 901993.00 1087782.50 968592.50 697954.50 635873.50 557834.50 535850.00 958604.00 940046.50 951137.50 748952.50 616229.50 486049.50 415806.00 572585.50 582733.50 602624.50 628298.50 538532.00 693689.50
Glu-Leu-Lys-His
548499.00 541176.50 1067800.50 1092276.00 1130577.00 959070.00 819841.50 684454.00 635623.50 1159644.00 1011386.50 975279.00 804431.00 756860.50 722103.00 675261.00 853265.00 904412.00 778644.50 891255.50 813235.50 848875.50
Glu-Lys-Asp-Pro
220386.50 209291.50 237044.50 218659.50 243624.50 198119.00 213711.50 210243.50 231781.50 268207.50 267160.00 255576.50 239253.50 236576.50 212980.50 213774.00 228138.50 250441.00 203200.00 199413.50 203786.50 219617.83
Glu-Lys-Lys-Val
293134.00 330108.00 166604.00 175529.50 240399.50 168809.00 272465.50 243621.00 292665.00 180547.00 199692.50 150140.00 165795.00 203059.00 264670.00 287546.00 230301.00 248191.00 249449.50 170402.50 250607.00 230702.00
Glu-Lys-Met-His
166837.00 157759.50 295232.50 309233.00 281418.50 214123.00 197853.50 156890.50 178159.50 267136.50 316049.00 311491.00 258630.00 177593.50 120918.50 116849.00 132508.00 138284.50 106153.50 154895.50 111865.50 184941.83
Glu-Met-Met-Arg
170559.50 143313.00 126097.50 124416.50 136800.00 135679.50 146712.50 152292.00 130925.50 113870.00 105593.50 98908.50 105712.00 140473.50 153765.50 131672.00 184496.00 185110.50 185741.50 143124.50 179133.00 84896.50
Glu-Met-Met-Thr
423034.00 441442.50 371943.50 413955.50 495900.00 424539.50 396623.50 371553.00 394597.00 512617.50 465190.00 456443.00 413106.00 392568.00 362868.00 332017.00 379825.00 365115.00 318138.50 414260.00 418721.50 460112.00
Glu-Met-Ser
458751.00 487199.50 577639.50 550898.00 601135.50 545920.00 480493.50 433519.50 597257.50 534135.00 617915.50 602012.50 531022.00 449159.00 533104.50 479440.50 483538.50 487063.00 474423.00 459392.50 562083.50 488296.17
Glu-Met-Thr
1067213.00 994966.00 2006687.50 2078097.00 2017993.50 1788466.00 1421258.00 1350895.50 1440141.50 2194194.00 2211999.00 2205240.00 2014712.50 1626587.00 889089.00 696458.50 1468304.00 1470991.50 1282032.00 1539764.50 1344840.50 1549723.00
Glu-Met-Thr-Ser
262401.50 258376.50 396422.50 378141.50 448202.50 340453.50 291093.00 325242.00 329449.00 400429.00 479883.00 419019.00 392411.50 316625.50 204319.00 201159.50 353538.50 310312.50 259642.00 424466.50 228306.50 343879.00
Glu-Pro-Ser
399345.00 406766.00 152900.00 178886.50 203766.00 170243.50 275638.50 259944.50 298787.00 189160.50 185103.50 175558.00 179028.50 176350.50 309385.00 351930.50 140366.50 135610.50 155200.00 188067.50 174671.50 213986.00
Glu-Pro-Thr
532856.00 508076.00 450114.50 448213.50 382356.00 403662.50 511640.00 483136.50 469459.50 397533.50 430546.00 484043.50 360810.50 346899.50 435689.50 421377.00 349217.00 468173.50 361388.00 441475.50 429153.00 465304.50
Glu-Pro-Tyr
6345325.50 5713695.50 13050000.00 12600000.00 11350000.00 13000000.00 8879811.50 11300000.00 11700000.00 12700000.00 13800000.00 12600000.00 13200000.00 11200000.00 5996980.50 4221617.50 14050000.00 13250000.00 11000000.00 13950000.00 10900000.00 10900000.00
Glu-Ser-Tyr
1207200.00 1243124.50 1132327.00 1289251.00 1147189.50 1179942.50 1131670.00 1101915.50 1359878.00 1416341.50 1276963.00 1160437.50 1307118.50 1224874.00 1102301.50 1167837.00 1219772.50 1280583.50 1189999.50 1254437.00 1440393.00 1324748.50
glutathione-sulfite
14774.00 12152.00 122696.00 129270.50 113641.00 123808.50 43841.00 120952.00 95390.00 119283.00 105393.00 117105.00 123377.00 142707.00 38753.50 35789.50 150887.00 138700.00 96917.50 127658.00 80027.50 205611.00
Glu-Thr-Pro-His
177202.00 194905.50 155534.00 165402.50 183336.50 168722.00 191777.50 191751.50 220901.00 184013.00 207597.00 212641.00 193094.50 187478.00 136540.00 185707.00 155991.50 170244.00 139387.00 159493.00 191878.00 406504.33
Glu-Thr-Thr-Thr
467244.50 486366.00 513940.50 463551.50 477528.50 493158.50 488486.50 523893.50 470721.50 497833.00 478910.00 515681.50 522224.50 515012.50 499146.00 536004.50 457283.50 500368.00 520295.00 472144.50 454416.50 520761.33
Glu-Thr-Tyr
1241686.00 1118735.50 1239406.00 1132640.00 1219505.50 1437494.00 1350387.00 1292506.00 1389514.00 1417638.00 1223359.50 1481431.00 1327776.00 1234761.00 1004449.50 832610.50 1271322.00 1283614.00 1246249.50 1388719.50 1482672.00 1289448.17
Glu-Trp-Arg-His
82720.00 - 73352.50 - - - - - - - - 77424.00 100192.00 93056.00 148718.00 143888.00 145722.50 141363.50 158466.00 125803.00 162525.00 99584.83
Glu-Tyr-Tyr
891758.50 652077.00 2266421.00 2368111.00 2185940.00 2102288.50 1456475.50 1402750.00 1243547.00 2223919.00 2323741.00 2252909.50 2177922.00 1716723.00 790429.00 447218.00 2022156.00 1939311.50 1737509.00 2104406.00 1648138.00 1709705.50
Glycerol
931899.00 563258.50 1161852.50 940391.50 829559.50 1068506.00 1152955.50 847329.50 543486.50 1177322.50 1239516.50 985680.00 882329.00 910391.00 917283.50 680339.00 790304.50 952016.50 794101.50 933603.00 1154281.50 425507.33
Glycerone phosphate
218075.50 290968.50 154194.00 99826.00 169342.50 438714.00 223689.00 74794.50 107662.00 99275.50 - - 469275.50 78259.00 149319.50 204112.50 - 34827.50 97291.00 - 129126.00 159935.50
Glycerophosphoglycerol
1838282.50 1941398.50 726547.50 707517.00 1640351.00 838950.50 1699882.00 1756186.00 1894139.50 677142.00 674892.00 914290.50 856409.00 1872088.50 2034061.50 1974729.50 1903712.00 2134304.50 1893618.50 1114948.00 1970257.50 1484311.00
glycerophosphoserine
- - 227046.00 216566.00 103616.00 185152.00 52271.00 - - 216634.00 225826.00 196653.50 209159.00 75656.00 - - 92781.00 48820.50 41813.00 192468.00 - 107297.00
Gly-Ser
2723516.50 3008781.50 3626831.00 3557900.00 3749068.50 2983534.50 3092442.50 2753060.50 2959995.00 3475357.00 3698385.00 3471766.00 3283862.00 2756887.50 2790515.50 2898711.00 3307690.00 3274037.00 2950883.50 3167289.50 3054567.50 3258760.33
Guanine
- - 1306716.50 688351.50 379571.50 2435574.00 97864.00 - - 1294246.00 117348.00 144948.00 2683125.50 113016.00 - - 892879.00 113144.50 - 3927991.50 - 771390.33
Guanosine
- - 325472.00 194618.00 - 508701.50 - - - 318939.50 224249.50 248815.50 456798.50 - - - 179251.00 - - 383458.50 - 176987.33
Guanosine 3^-phosphate
384472.00 451846.00 390607.00 338032.00 374868.00 372960.50 418787.50 376228.00 419421.50 425773.50 418040.50 375500.00 383162.00 362130.00 525655.50 512872.00 438210.50 464243.50 447577.00 401744.50 503762.00 456216.33
GYKI 52895
151956.00 134822.50 164523.00 149691.50 180948.50 147572.50 166384.50 161196.00 142430.00 192572.00 171156.50 197899.50 199917.00 182193.50 120679.00 126294.00 158684.50 158579.50 150441.50 187153.00 163637.50 161944.00
H2S2O3
4953989.50 5998028.50 3205117.00 2582959.00 4220674.00 1921599.50 4867672.00 3021060.50 3500812.00 3777983.50 3435171.50 1890930.00 2498285.00 3248344.00 1978889.50 1403164.00 2271496.00 2165685.00 1999898.50 2822310.50 1885493.00 3662379.50
Hexadecanoic acid
34100000.00 60750000.00 29150000.00 24400000.00 20850000.00 26950000.00 25300000.00 55700000.00 41600000.00 24550000.00 42050000.00 22100000.00 35900000.00 26950000.00 44700000.00 59000000.00 24850000.00 28850000.00 37450000.00 20650000.00 27600000.00 49333333.33
Hexanoic acid
3369440.50 2632323.50 3200836.00 2557264.00 2763341.00 3461077.00 3101358.50 3916200.50 2698849.50 3157746.00 3126863.00 3635109.00 3246981.50 3869537.00 3262187.00 2274776.00 2176371.50 2617270.00 3070607.00 2582521.00 2237635.00 1830655.33
Hexanoyl-[acp]
121803.50 119560.50 129038.00 159820.00 139630.00 113340.00 151561.00 147725.50 137618.50 119279.50 132795.00 145420.00 120670.50 135669.00 154767.50 174929.50 142962.00 121595.50 128181.50 131155.00 145447.00 121211.17
Hexose phosphate
980182.50 1170046.50 947720.50 971207.50 1233900.00 937874.00 1247361.50 1020307.00 1097797.00 1009482.50 890351.50 879743.50 1005564.50 1067333.50 1097131.00 1033125.00 1048134.50 1011102.00 978101.00 996518.00 1098767.00 1047864.33
His-Lys-Met-Met
- - - - - - - - - - - - - - - - - - - - - 162861.67
His-Lys-Trp-Pro
- - 112942.00 110285.00 - 116413.50 - - - 130408.50 124603.00 115245.50 112486.50 - - - - - - 44596.50 - 85220.33
His-Met-Trp-Pro
325315.00 379520.50 248124.00 255460.00 305891.50 276166.00 408427.00 304029.00 370565.50 360505.50 334545.00 308974.00 310282.00 358568.50 378053.50 373735.00 352827.50 355801.00 345564.50 341843.50 400633.50 330641.17
His-Met-Trp-Val
- - 120038.50 102556.50 82430.50 97861.00 - 58625.00 65127.00 127472.50 128166.50 116734.50 138783.00 100090.00 - - 57853.00 - - 113760.00 - 101415.17
Histidylprolinediketopiperazine
2792336.00 2871989.50 2299450.00 2183555.50 2412980.50 2442304.00 2428896.50 2497468.50 2572923.00 2301486.00 2337213.50 2298750.00 2319704.00 2303775.00 2726226.50 2974080.00 2487389.50 2438642.00 2482398.50 2413258.50 2706039.50 2534260.33
Homoisocitrate
157162.00 153249.50 191405.50 194974.00 200503.50 185145.50 161418.00 151433.50 137181.00 194963.00 213077.50 175970.50 192351.50 153121.00 209493.50 180225.50 210852.50 207211.50 181332.50 211776.00 228741.00 193194.83
Hordatine B
226396.00 195344.00 229484.50 196924.00 204773.00 215570.00 256493.50 267968.50 225896.50 221417.00 205160.00 212275.50 282856.00 235548.50 241463.50 211110.50 245441.50 239325.50 209623.50 221709.50 253230.50 232912.17
Hydantoin-5-propionate
681609.50 780989.00 833532.00 823650.00 807047.50 714470.50 693810.00 681071.50 728443.50 850534.00 753319.50 842204.00 749830.00 693310.50 779392.00 752939.00 743886.00 694977.00 704823.50 742520.00 780147.50 793764.00
Hydroxypyruvate
861664.50 745500.00 312249.50 418056.00 946726.50 404909.00 855641.50 1339092.00 1078662.50 317437.00 339853.00 478261.00 397689.00 1079239.50 1217749.00 1273618.00 1266836.00 1288626.00 1165492.00 614960.50 1194945.00 888839.17
Hymexazol N-glucoside
- - - - - - - - - - - - - - - - - - - - - 97889.67
Hymexazol O-glucoside
873480.50 931675.00 1330548.00 1377761.00 1387573.50 1163479.50 1095105.50 958622.50 974150.00 1242190.00 973191.00 1166203.50 1179849.50 874766.50 1157190.00 1239630.50 1273220.00 1343936.50 1360392.00 1221547.00 1228887.50 1177504.00
Hymexazol O-glucoside_1
1097377.00 1105303.50 1339164.50 1390029.50 1416559.50 1224492.00 1148915.50 1091247.50 1067798.00 1433750.00 1495464.00 1526231.00 1312969.00 1127365.50 1212000.00 1316603.50 1233141.50 1217216.00 1249871.50 1268051.00 1237434.00 1254443.50
Hymexazol O-glucoside_2
1731261.00 1707183.50 2410197.00 2372294.00 2420537.00 2085196.50 1724155.00 1747917.50 1777952.00 2371938.50 2285818.00 2198251.00 2118550.00 1786006.00 2451727.50 2369115.00 2449370.00 2363842.00 2189646.50 2167425.00 2310254.00 2162210.17
Icaritin 3-rhamnoside
427859.00 444643.00 405083.50 384012.00 399424.50 348076.50 510533.50 623007.50 633700.00 608097.00 637428.00 511584.00 590326.00 633645.50 - - - - - - - 339636.00
Ile-Arg-Lys
19451.50 15530.00 668061.50 657520.50 255363.00 639776.50 77548.50 83883.00 46199.00 668208.00 660779.00 645504.00 645587.00 233830.50 22264.50 17221.00 138128.00 62627.50 38836.50 626479.00 33092.50 380846.17
Ile-Arg-Ser
- - 756464.50 763039.50 444357.00 833363.00 261816.50 343418.50 259322.00 820361.50 735935.00 721839.00 806551.00 498242.00 - - 459745.50 188841.00 - 895688.00 - 447007.83
Ile-Glu-Glu-Glu
748370.50 764450.50 493817.50 496112.50 560637.50 450875.50 570700.00 616424.50 657948.00 542412.00 571407.50 568100.00 543137.00 550822.00 811834.00 871738.50 553982.00 676333.00 740025.00 443114.00 771363.00 1243065.83
Ile-His
5218425.00 5596336.00 4443592.50 4296231.50 4581351.50 4434713.50 4734085.00 5043884.00 5233109.00 4596803.50 4556789.50 4283811.50 4669145.50 4911684.50 5068438.50 5211091.50 4931349.00 4742536.50 4635400.50 4713806.00 4877963.50 4797191.00
Ile-His-Lys
362741.00 287907.00 419151.00 403506.50 411392.00 437653.00 386549.00 349496.50 283873.50 384689.00 382254.50 362259.00 383655.00 314707.00 556482.50 500786.00 462671.50 407042.50 442894.00 444757.50 463151.50 420881.67
Ile-Ile-Lys-Pro
212107.50 224324.50 233593.00 254972.00 259383.50 233728.00 244807.50 234721.00 231506.50 256113.00 260261.50 282667.00 268771.00 261545.50 172366.50 160421.00 193546.50 205524.00 188857.00 237907.50 176820.50 225838.50
Ile-Ile-Met
334535.00 253007.00 1747284.00 1624566.50 1319117.00 1674019.50 785827.50 591641.50 560440.50 1775067.00 1802288.00 1642487.00 1613811.50 1073888.00 292856.00 - 1455933.50 1362754.00 974433.00 1532846.00 725207.50 1068164.33
Ile-Lys-Lys
979360.50 794635.00 3411775.00 3371979.50 3116890.50 3228210.00 2015414.00 1645898.50 1357493.00 3293769.00 3340323.00 3206336.50 3207631.00 2223715.00 1597583.00 1195311.50 3091628.00 3111591.00 2579190.00 3223955.00 2451176.50 3419047.83
Ile-Met-Met-Met
413719.50 474764.50 366397.50 295318.00 379652.50 337999.00 446836.00 373783.50 455967.50 380862.50 355201.00 339681.00 354675.00 385576.00 509645.00 466220.00 423442.00 399666.50 392761.50 383465.00 471442.00 392868.50
Ile-Thr-Thr-Ser
417945.00 460156.00 431207.00 408566.00 441253.50 443553.50 436446.50 419183.50 456840.00 449350.50 425278.00 409946.00 396968.00 443243.50 453468.50 439366.50 422989.50 412769.50 412731.50 450093.50 431946.00 427098.67
Ile-Val-Val-Pro
400938.00 223662.50 1459255.00 1679466.50 1225618.50 1198046.00 770324.00 463557.50 474249.50 1000317.00 1070694.00 1068645.50 929004.50 604453.00 241120.00 131002.50 1268743.50 1165998.50 1021264.50 1296702.00 837156.50 851436.50
Imidazol-5-yl-pyruvate
846713.00 951927.00 352044.00 242602.50 581013.00 189652.50 1113070.00 748092.50 775760.00 224833.50 208209.50 180802.00 249591.50 629789.00 681258.50 735696.50 133495.00 191574.50 383395.50 96923.00 395488.00 385152.00
Indicaxanthin
381303.00 395752.50 371036.00 299954.50 352107.00 382691.00 455972.50 403460.00 431034.50 355993.00 350925.00 371535.00 410598.50 410757.00 448626.00 409300.00 422296.00 460911.50 437888.50 425569.50 475924.50 371741.67
Indole-3-acetyl-beta-1-D-glucose
442231.50 431421.00 483750.00 521612.00 545691.50 499869.00 374690.50 375450.50 456644.00 484470.00 526946.00 479671.50 488059.00 395048.00 496289.50 443042.00 451635.50 466538.50 422330.00 456762.50 456303.50 465484.17
Indole-3-acetyl-myo-inositol
439343.00 465048.50 509019.50 525448.50 604141.00 492245.00 471552.00 394416.50 481204.00 497809.00 540645.50 584917.50 499212.00 472355.50 520064.50 489951.50 479762.50 462321.00 507926.50 561904.50 516743.00 514095.83
Ipomoeamarone
163064.00 143832.00 123662.50 120348.00 143969.00 88357.00 140851.50 159056.50 129258.00 131245.50 144428.50 138778.00 102038.00 147637.00 141152.00 183509.50 131596.50 110815.00 135208.00 112405.50 155232.00 142755.50
Isoclavulanic acid
51425.50 54013.00 71279.00 70709.00 75876.50 70833.00 46774.50 55630.50 60175.00 62297.00 51500.00 61562.00 - 56140.00 45965.00 40299.00 36400.00 37863.50 43113.50 57676.00 51680.50 119313.50
Isopnetenyladenosine-5^-diphosphate
241219.00 240724.50 284382.50 242941.00 278430.50 265915.00 245714.00 223251.00 235506.00 254262.00 252008.50 212917.00 239102.50 221321.50 254571.50 259099.50 362679.00 304443.00 305564.50 317533.00 283203.00 -
isopropyl beta;-D-galactopyranoside
485384.00 483973.50 715053.50 664520.00 673139.00 638827.50 655514.00 497242.00 482350.00 638432.50 817117.00 678022.00 878012.00 534111.00 439365.50 441061.50 642297.00 516175.50 315623.00 576256.50 423871.50 455418.17
Isovalerylalanine
1310365.50 1696007.00 259465.00 301218.00 1017239.00 377619.50 1017824.00 1879094.50 2019177.00 351932.50 428695.00 420532.00 359431.00 1309488.00 2510595.00 1784896.00 769746.00 591449.50 1369068.50 369192.00 1822856.50 1126998.17
Isovalerylglutamicacid
585204.50 610742.00 527781.00 499761.00 658921.00 513710.50 547246.00 585266.50 527366.50 636673.50 431114.50 541721.50 549157.00 570640.50 616982.00 688308.00 532107.00 584818.00 520593.00 521983.00 634411.50 618015.00
L-2,3-Dihydrodipicolinate
112335.50 118273.00 131916.00 120347.00 152892.50 126377.00 114006.50 123874.00 126126.50 159297.50 139390.00 132450.00 108421.50 108585.50 95687.50 99981.00 88657.50 131016.00 92544.00 105638.00 91809.00 122019.50
L-5-methylhydantoin
- 59137.00 - - 50567.00 - 62048.00 - - 50408.50 68512.00 - 57944.00 43723.50 - - - - - - - 102212.33
L-Arogenate
203914.50 180205.00 174836.50 151751.00 192787.00 201578.00 175491.00 249932.50 204110.50 202470.00 189285.00 185288.00 269025.50 244065.50 225308.00 203576.00 164568.50 180951.50 163895.00 211109.00 195491.00 225108.33
L-Cysteate
227796.50 228694.50 160148.50 148607.00 179221.50 197615.50 180873.00 262649.00 265716.50 170913.50 173293.00 161477.50 199243.50 212188.50 229948.00 286683.00 239539.00 253853.00 216521.00 180737.00 193337.50 211979.33
L-cysteine sulfinate
371835.00 471422.50 307259.00 490490.00 500967.50 309785.50 417714.00 450831.50 424047.00 240160.00 157433.00 378398.50 363950.50 533589.00 572779.50 466946.00 664191.00 692286.50 565108.00 576856.00 653375.00 477386.33
L-Dehydroascorbate
359619.50 461233.50 252301.00 296385.50 279325.50 298345.00 359022.00 421085.50 528363.00 331320.00 378425.50 332135.50 285326.00 395128.50 160632.50 184521.00 190195.50 174071.00 181839.50 247248.50 177316.50 275753.67
L-Erythrulose
2097859.50 2034938.00 2107447.00 2104732.00 2218515.00 2299171.50 2022848.50 2139619.00 2165455.00 1976354.00 1908203.00 2006607.50 2202207.00 2241825.50 2007939.00 2181805.00 2130471.00 2253489.00 2034394.00 2129721.00 2240979.50 2116519.50
Leu-Asp-Asp
1267279.00 1439094.00 869685.50 913240.50 910917.00 805991.00 989676.50 967523.00 1152292.00 831707.50 921735.50 887084.50 958290.00 898240.00 1391377.50 1660992.50 899022.00 1021890.50 930963.50 809511.00 1025741.50 1060587.83
leu-FMDP
446349.50 464382.50 479756.50 495954.50 510803.00 440137.50 454492.50 446374.50 494038.00 499486.00 488996.50 426179.50 450825.50 454679.00 396802.50 459489.50 388488.50 366962.00 368945.50 398202.00 397286.50 456733.33
Leu-Met-Gly
3117978.50 1947378.00 4453823.00 4723503.00 4663932.50 5119920.00 3583298.50 3908105.50 2313503.00 4330934.00 4060864.00 4178829.50 4751505.00 4229002.00 7027352.50 6319982.50 8472503.00 9435404.50 8303176.00 7051344.00 8792862.00 5627446.67
L-gamma-Glutamyl-L-hypoglycin
958454.00 713385.50 1013032.00 1031784.00 973632.00 1110292.50 894857.00 930666.50 762273.00 979442.50 975829.50 888343.00 999919.00 1005253.00 1568809.00 1745942.00 1362772.50 1495758.50 1351849.50 1267014.00 1691048.50 1240350.00
L-gamma-glutamyl-L-valine
50800000.00 54850000.00 39900000.00 38400000.00 39300000.00 44900000.00 56900000.00 38400000.00 41950000.00 37400000.00 38800000.00 46850000.00 40200000.00 38350000.00 56200000.00 53750000.00 52450000.00 48550000.00 56250000.00 50900000.00 55250000.00 49866666.67
L-Rhamnono-1,4-lactone
1757551.00 2146776.50 1754204.50 1871561.00 1607027.00 1516557.00 2016805.50 2141774.50 2120514.00 1427520.00 1837484.50 1753297.00 1879701.50 2076350.50 1899240.00 1928715.00 2071029.00 1909888.00 1939201.00 1748490.00 2054015.50 1913214.67
L-Rhamnose
987417.50 1133591.00 906300.00 1125123.50 904774.00 1036227.50 1121849.50 1060085.00 1255931.00 961045.50 922264.00 1015845.50 929135.00 1240093.50 1277240.50 1214449.50 1161773.50 926920.50 1156724.50 1129202.00 1226981.00 1132722.50
L-Rhamnulose
282020.00 315547.00 207726.00 - 542717.00 124266.00 126751.00 243605.00 196372.00 168934.00 - 488257.50 151934.00 127253.50 441431.50 407840.50 134234.50 228270.50 249671.50 185681.00 170262.00 243226.50
L-xylo-Hexulonolactone
165222.00 174851.00 147742.00 137603.50 157688.50 175679.00 157209.00 160849.00 153051.50 152992.00 139995.00 152141.50 160365.00 153912.50 184736.50 191537.50 165854.50 198722.50 163757.50 174185.00 222955.00 176746.67
Lys-Ala-Pro
652837.00 734715.00 114277.00 139581.50 130713.50 91385.00 403513.00 378150.00 545284.50 147901.50 121206.00 99911.00 99304.00 198560.50 616921.00 644572.00 102667.50 128665.00 177999.50 88879.00 337388.50 279005.33
Lys-Arg
7352.00 6615.50 106976.50 97607.50 41409.50 124071.00 14775.50 12556.50 10253.00 107560.00 99325.50 96999.00 131233.50 25429.50 - - 29329.00 15853.50 5853.00 125417.00 6581.00 56140.67
Lys-Gly
286079.50 344362.00 513364.00 491986.00 393056.00 529034.00 342374.00 386904.00 368885.50 596658.00 577170.00 516830.00 595006.00 448241.50 306464.50 299287.00 458230.50 436927.50 343051.00 520050.50 372696.00 575340.50
Lys-Lys-Gly
62595.00 50863.00 120917.50 114634.50 105431.00 112188.00 87313.00 73753.00 74363.00 118829.00 113052.50 109081.50 108489.50 86740.00 92080.50 70628.00 120324.50 120267.00 105200.00 123853.00 106386.50 134732.67
Lys-Lys-Thr
401470.50 380245.00 793428.50 879099.50 853954.00 792593.50 571393.50 546908.50 506375.50 736251.00 845083.00 869222.00 790990.00 656998.50 625890.50 530534.00 786978.50 781175.50 709677.50 845050.50 712314.00 1079399.00
Lys-Lys-Tyr
137430.50 110768.50 639490.50 672684.00 594570.00 624565.00 336861.50 261787.00 206011.50 652549.00 675140.50 623754.50 618038.50 400660.00 231556.50 164170.50 576881.00 552260.50 455572.50 598820.50 405803.50 503585.17
Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose
104613.50 126156.00 92133.50 92111.00 90891.50 90206.00 93810.00 91836.50 116587.00 105850.50 98558.00 111485.50 102876.50 88183.00 113040.00 92935.00 102675.50 112596.00 111592.00 96474.50 104031.50 103706.33
Lys-Phe-Val
- - 385863.00 469575.50 395219.50 393344.00 232134.50 208182.50 156616.50 365438.00 439448.00 380149.00 375360.00 288073.00 - - 374774.50 337942.00 286737.50 354710.50 224362.00 308048.33
Lys-Pro-Pro
352446.00 342266.50 229966.50 241969.00 247059.00 209529.00 262132.00 244304.50 251890.00 262166.00 285907.50 256328.50 286248.00 248978.50 351260.00 353597.50 247394.50 243519.00 259193.00 249042.50 278651.50 505778.50
Lys-Pro-Pro-Pro
66605.00 51029.50 402630.00 399105.50 359236.00 373992.00 180890.00 141544.50 107928.00 392137.00 403170.50 377299.00 375411.50 230773.00 126109.00 81286.50 367098.50 334761.50 279850.50 388017.50 226975.00 351635.67
Lys-Thr-Thr
94240.00 95197.00 120246.00 130345.50 132364.00 108638.50 109743.00 109918.50 112664.50 116992.50 139020.00 139013.50 128748.50 102555.00 116587.50 99917.00 104799.00 104118.50 110276.50 102268.00 113297.00 118538.83
Lys-Val-Arg
106015.00 98092.50 233860.50 237648.00 225544.00 210834.00 161837.00 139390.00 134934.00 223574.50 218431.00 237361.50 210348.50 169970.00 136622.00 100463.50 191796.00 199646.00 174599.50 207853.50 170889.00 242654.17
Maleic acid
777429.50 687202.00 1286029.00 1129874.50 937800.00 1254346.00 943148.50 940856.00 42336347.50 1139606.00 1245950.50 1111236.50 1005220.00 1098195.50 466356.00 397259.00 705931.00 556941.00 502584.00 906620.50 557732.00 906026.50
Maleimide
252331.50 230638.00 227430.00 254332.50 206793.50 252227.50 235891.00 246196.50 251719.50 251993.00 303007.00 275244.00 303153.50 284703.50 254665.00 231564.50 239738.50 236192.00 240608.50 255145.50 227243.00 230946.17
maltononaose
170892.00 170644.50 187095.00 188330.00 145920.00 162956.50 181589.50 170387.50 197680.50 146324.50 198036.00 169792.00 190025.50 210461.50 164992.50 160127.50 162995.50 183635.00 161520.50 186362.00 186475.50 263420.50
Medicagol
104112.00 209426.50 138018.00 129032.00 121136.00 108261.50 104690.50 143123.50 242505.00 203364.50 173751.00 195435.50 183987.00 167811.00 81131.00 71260.50 125778.50 125510.00 104693.00 167727.50 94675.50 132800.83
me-iP
718536.00 584004.50 1293895.00 1352247.50 1217193.00 1391645.00 882129.00 1265635.50 1244315.00 1048071.50 1435878.50 1458416.50 1402995.00 1288591.00 649501.50 552585.50 1476942.00 1416806.50 1084159.00 1524212.50 952249.50 1168409.33
melibionate
522321.50 556565.50 556728.00 514994.00 535052.50 560400.00 558335.00 574456.50 475176.50 551098.50 540866.50 506136.50 572953.50 512713.50 634214.00 646639.00 555064.50 608793.50 576499.50 568083.50 624658.00 690658.33
meso-Tartaric acid
- - - - - - - - - - - - - - - - - - - - - 99047.50
Met-Cys-Ser
183542.50 184217.00 137659.50 94691.50 118567.00 117000.50 161671.00 155227.00 201563.50 126054.50 113421.50 133827.50 130339.00 144450.00 187252.50 150866.50 139725.50 154923.00 146708.50 114126.50 167754.50 144105.33
Met-Gly
1208096.50 908836.50 1525739.50 1505285.00 1566880.00 1664311.00 1200122.00 1355281.50 971158.50 1360187.00 1396238.00 1369635.50 1611199.00 1294879.00 2887596.50 3135252.50 2588236.50 2625402.00 2601253.00 2319522.00 2844633.00 2052004.17
Met-Gly_1
1197852.00 1175774.00 1650609.50 1446996.50 1562894.50 1661512.50 1500969.50 1427860.00 1432097.50 1449740.00 1402177.00 1367448.00 1427420.50 1436792.00 1008920.00 815577.50 1485608.50 1491873.00 1370062.50 1499504.00 1622981.50 1457838.00
Met-Gly-Tyr
1613973.50 1624057.50 1344797.00 1475010.00 1145875.00 1399254.00 1090877.00 1485677.00 1523290.00 1423389.50 1336089.50 1547197.50 1543250.00 1610767.00 1327208.00 1112997.00 1725184.00 1704356.00 1659532.50 1894035.00 1859381.50 1519988.67
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopen...
107446.50 92088.50 110588.50 92987.50 78721.50 99202.00 107754.00 108683.00 85746.50 105935.50 117576.50 89791.00 98749.00 97549.00 139408.50 67657.00 101564.50 117451.00 102807.50 119833.00 140384.50 112726.67
Met-Met-Val-Tyr
525492.00 548841.50 301473.00 237549.50 302567.00 283537.00 435470.00 389414.50 503875.50 287811.50 271658.50 267625.00 309722.50 370377.00 624635.00 712155.50 372299.50 426649.00 519111.00 298987.50 446889.50 398710.00
Met-Phe-Val
84760.00 55828.00 230352.50 226143.50 187858.50 181090.50 149712.50 72569.50 88191.50 168210.00 159956.50 189884.00 131550.50 99621.50 84025.00 75768.00 200571.50 185988.00 149733.50 211320.00 129606.00 126572.33
Met-Ser-Ser
149998.00 125669.00 205991.50 189601.50 198157.50 206701.50 170927.50 177143.00 129389.50 166520.00 181691.00 160954.50 182945.00 156706.00 296157.00 318884.50 361620.00 307064.50 332705.50 278899.00 330084.50 240454.83
Met-Ser-Tyr
1504156.00 676631.50 1377673.00 1615793.00 1810888.50 1502170.50 1282638.00 1504478.00 - 1630261.50 1289070.00 1408333.00 1372786.00 1560850.00 1858298.00 2402955.00 2164422.50 1917757.00 1879898.50 1935034.50 1973362.50 1712077.67
Met-Thr-Tyr-Tyr
331680.50 353879.50 312508.00 290727.00 333888.00 299197.00 322085.00 475102.00 458608.50 371883.00 383638.00 371039.50 408614.50 427129.00 275508.00 255336.50 364087.00 370914.50 349027.50 272256.50 334840.50 393976.00
Met-Val-Tyr
5123802.00 4971583.00 7991860.00 8035513.50 7830248.50 9060908.50 6299518.00 7105278.50 7683267.00 7872104.50 7879302.00 8001493.50 8461672.00 7824763.50 11550000.00 12105598.00 17950000.00 16950000.00 14500000.00 17850000.00 12964817.00 8599031.67
Miotine
813315.50 917875.50 1897425.00 1208241.50 1275799.50 1153044.00 937717.00 918153.50 832652.50 870116.00 1067567.00 900133.00 1223790.50 774633.50 836105.50 872905.00 1192424.00 966858.00 802127.00 1236936.50 878344.00 1082406.17
Miserotoxin
- - 516332.50 208697.50 - 1095425.50 - - - 434140.50 205920.50 153592.00 1146774.00 - - - 275923.50 - - 1367513.50 - 314883.33
Muramic acid
427190.00 382388.50 274827.00 241468.50 324387.00 299890.50 340262.00 354109.50 363431.00 309008.00 283741.00 313942.00 265375.00 342682.00 551991.00 524549.50 408622.50 508325.00 475958.00 389439.00 522041.00 343728.83
Myxochlin B
1447357.50 1237149.50 4586505.50 4386588.00 4614590.50 4481489.50 2420002.00 2794498.50 2033804.50 3938640.50 4052436.00 3977365.50 3729378.50 3190894.00 1040897.50 831868.00 3264631.50 2584437.50 2140363.50 3236160.00 1775448.50 3172058.17
N1-(3,4-dihydroxybenzoyl)-N8,N^8-citryl-bis(spermidine)
- - - - - 211995.00 - - - - - - 155007.50 - - - - - - 137931.50 - -
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate
18000000.00 17550000.00 18900000.00 19000000.00 19250000.00 18500000.00 18000000.00 17000000.00 16950000.00 18550000.00 17850000.00 17900000.00 17450000.00 17450000.00 18550000.00 18050000.00 16900000.00 17050000.00 16300000.00 17600000.00 19000000.00 18566666.67
N-(3-oxooctanoyl)-L-homoserine
1642675.50 1582570.50 2038927.50 1791587.00 2023376.00 1866493.00 1721581.00 1918777.50 1706536.50 1801444.00 1820317.00 1837556.00 1872957.50 1681078.50 2445236.50 2548569.50 1911469.00 1948152.00 1866474.50 1783723.00 2140180.00 1947433.67
N-(4-nitrophenyl)validamine
252804.50 241991.00 287747.50 258399.50 270401.50 289567.00 229267.00 183394.00 200172.00 293328.50 308159.50 294667.50 274794.00 231365.00 248995.00 257157.50 213373.50 219386.50 206988.50 234860.50 251479.00 251443.00
N5-formyl-N5-hydroxy-L-ornithine
2870252.50 2865958.00 3435180.00 3145041.50 3105936.00 3915110.00 2931539.50 2866482.50 2971656.00 3439110.00 3562364.50 3622495.50 3216838.00 2804875.00 3092592.50 3067158.00 4122842.50 3885949.00 3150581.00 3305189.00 3267361.00 3162506.33
N-Acetyl-aspartyl-glutamate
485307.00 527397.00 465758.00 503620.50 517850.50 473314.50 508995.00 446830.50 473239.50 464807.50 527314.50 526056.00 495372.50 480771.50 488773.50 481772.50 494686.00 486351.00 523207.50 570303.50 541169.50 521494.83
N-Acetyl-beta-alanine
1891200.00 1579091.00 2802336.50 2784281.00 2824505.50 2926197.50 2202500.00 2258314.00 1824810.00 2554089.00 2566719.00 2828412.50 2624534.00 2499814.00 1825039.00 1348020.00 2674141.50 2354114.50 2456016.00 3098034.50 2304136.00 2518233.00
N-Acetyl-D-glucosamine 6-phosphate
4695738.00 4931226.50 4730107.50 4747135.50 5274670.50 4817007.00 4830934.50 4757160.50 5074847.50 5052463.50 5071265.50 4879304.50 5348083.00 4897361.00 5667922.00 5782189.00 5688507.50 5683103.00 5464778.50 5247390.00 5941163.50 5254844.50
N-Acetyl-L-2-amino-6-oxopimelate
6899907.00 7484450.50 7609802.00 7867921.50 8287363.00 6693954.50 6538692.00 6636643.00 7305107.50 8005196.00 7841786.00 8134060.00 7044499.50 6362402.00 4178432.00 4065451.50 4110128.00 4034629.00 3736676.00 5294935.50 4020202.00 6010182.50
N-Acetyl-L-tyrosine
801729.50 526277.50 738297.50 821088.50 836488.00 842522.00 842441.00 818596.00 479067.50 739126.00 679548.00 663263.50 871057.50 674446.00 1649498.50 1476733.00 1170747.00 1270554.00 1231092.00 1087583.50 1344312.50 1076176.33
N-Acetylneuraminate
1027286.50 982509.50 905481.00 884951.50 987562.00 938874.00 955020.00 923623.00 943155.50 878320.00 914742.00 891866.00 884415.50 898008.50 832634.00 796335.50 887013.50 798841.50 797201.50 838899.50 848418.00 913997.17
N-Carbamoyl-L-aspartate
563987.50 197641.50 544888.50 550701.00 616119.50 645897.00 489846.50 579147.00 207232.50 390310.00 435176.50 402818.50 616041.50 537849.50 1892266.00 1841192.00 1748347.50 1765244.00 1700517.00 1074085.50 1871329.50 937132.83
N-carbamoyl-L-glutamate
174349.50 173459.00 142504.00 129502.00 148444.50 146163.00 171584.00 143337.50 168586.00 130355.50 134409.50 131201.50 136662.00 183492.50 187468.00 154662.50 151420.50 172254.00 154808.50 151326.00 162357.00 152707.33
N-Feruloylglycine
477394.00 433418.50 465834.50 462676.50 492137.00 459828.50 447384.00 390606.50 519967.00 587998.00 467660.00 436815.00 482058.50 472403.00 462404.50 411641.50 456981.50 408093.00 452523.00 472306.00 396034.00 466590.67
N-Formimino-L-aspartate
894475.50 851730.50 921130.00 842420.00 867222.50 866943.50 838190.00 912165.00 821366.50 772311.50 705895.50 759813.50 865247.50 851080.00 1082942.00 1098558.50 949405.50 1014600.50 1043522.00 882508.50 1209395.50 918876.17
N-Formyl-L-aspartate
3692147.50 3254016.50 4133514.50 4108491.50 4299248.50 4257224.00 3625759.50 3644423.50 3414159.00 3925032.00 4011414.50 3735996.50 3887857.00 3700360.50 6345092.50 6528303.00 5786111.50 5805701.00 5817922.00 4966360.50 6185551.00 4826537.50
N-Formyl-L-glutamate
3066278.00 3129427.50 2861063.50 2407683.50 2588321.50 2733710.00 2788413.50 2860377.00 2847066.00 2512140.50 2509646.50 2452413.00 2546219.50 2717077.50 3096651.00 3071403.00 2685810.50 2614102.00 2612352.00 2709182.00 2844353.50 2734933.83
Ngamma-Nitro-L-arginine methyl ester
113400.00 117296.00 82435.00 88772.50 109201.50 105316.00 120064.50 108401.50 111953.50 108352.50 105098.00 134445.00 116123.00 121352.50 116660.50 115383.50 102531.50 108694.50 119484.00 104914.00 102516.00 105229.00
Nicotinate D-ribonucleoside
218941.50 232269.50 193960.50 202471.50 174404.50 246238.50 220955.00 272923.00 222446.00 184198.00 205161.00 230030.00 266922.50 178071.50 158409.00 194869.50 194331.00 189657.00 174587.50 201427.50 213320.50 219652.00
N-Methyl-2-oxoglutaramate
433881.50 359278.50 464495.50 387672.00 417856.50 407726.00 375648.50 366170.50 363927.50 373596.00 388012.00 332972.50 388762.00 347312.50 485117.50 458538.00 519431.00 533156.50 466378.00 458474.00 511224.50 434966.50
N-Methylhexanamide
275797.50 294950.50 333081.50 333931.00 378820.00 312375.50 272595.50 275597.00 303720.50 364702.50 338581.50 328000.00 336204.50 264437.50 191197.00 234046.50 201997.50 236994.00 187952.00 295112.00 198486.50 309033.83
N-(phosphonacetyl)-L-aspartate
593842.00 679728.50 543680.00 513571.00 490786.00 662734.00 663002.00 835789.00 849934.50 518451.50 594598.50 553734.00 617338.00 814609.00 747028.00 765384.50 804707.00 790257.50 740327.50 731200.00 750358.00 674557.83
N-Succinyl-L-glutamate
1192626.50 1250329.50 1403418.00 1327957.00 1425602.50 1218429.00 1272165.50 1089558.00 1173702.50 992455.50 1427350.50 1481466.00 1331524.00 1127753.00 1318338.50 1301438.50 1347126.00 1237807.50 1280823.50 1351610.00 1434282.00 1318513.50
N-Succinyl-L-L-2-6-diaminopimelate
461124.50 430922.00 418764.00 406395.50 483696.00 459289.50 470204.00 498994.00 439086.00 345452.50 373563.00 383657.00 395636.50 480506.50 306621.00 273944.50 316615.00 307569.00 326167.00 394554.50 330364.00 392028.83
nva-FMDP
854564.00 844793.50 900660.50 735743.00 997786.50 870147.50 928242.00 894884.00 887919.00 951587.00 977513.50 901909.50 972687.50 997169.50 904262.50 868274.00 912745.50 969198.50 942756.50 945203.00 932168.00 895710.33
O-Acetylneuraminic acid
715356.50 776568.50 655935.00 598669.00 727263.50 685932.50 743951.00 815254.50 766879.50 610225.00 656038.00 587013.00 719225.50 699712.00 798462.50 760300.00 748529.50 725753.00 731460.50 710402.00 785424.50 740641.67
Octadecanoic acid
14400000.00 25500000.00 23500000.00 18650000.00 12650000.00 20550000.00 13950000.00 26750000.00 23700000.00 18050000.00 36600000.00 15200000.00 30300000.00 14200000.00 17350000.00 25200000.00 20950000.00 20550000.00 24200000.00 14750000.00 15700000.00 37183333.33
octyl beta-1,6-D-galactofuranosyl-alpha-D-glucopyranoside
330133.00 255586.00 599284.00 596940.00 513250.50 657819.50 493303.00 442086.50 455808.50 591237.00 575934.00 592536.00 596867.00 450841.50 301889.50 281268.50 475737.50 513489.00 433654.00 593928.00 343048.00 447871.83
O-Oxalylhomoserine
1833851.00 1688794.00 1907457.50 2634729.50 2441020.00 2274610.50 1973325.00 2208711.50 1972243.50 1913807.00 2709314.50 2795783.50 2481835.00 2441472.50 2694282.00 2766313.50 3145492.00 3009990.00 2762136.00 2791183.00 2924567.00 3009596.50
O-Phospho-L-homoserine
382434.50 386039.50 224202.50 229632.00 227086.50 228003.00 389526.00 349622.50 382466.50 252651.00 273625.00 270780.50 263258.00 291781.00 375270.50 326280.50 338235.00 348781.00 368655.00 283673.00 410958.50 364520.00
Ophthalmicacid
311319.00 373943.00 256400.50 267556.00 342427.00 243036.00 281399.50 391356.00 352249.00 288651.50 263793.00 290622.00 290285.00 473760.50 291646.50 284875.00 270617.50 298970.00 280559.00 272748.00 273442.00 326746.33
Orotate
23650000.00 26450000.00 23100000.00 24700000.00 23250000.00 25950000.00 25050000.00 25500000.00 26700000.00 23200000.00 23800000.00 24950000.00 26000000.00 23350000.00 26450000.00 27200000.00 23150000.00 25000000.00 24000000.00 24700000.00 24650000.00 24750000.00
Orthophosphate
57850000.00 58150000.00 65850000.00 67050000.00 62650000.00 65600000.00 61700000.00 53400000.00 54700000.00 66100000.00 67250000.00 66450000.00 64550000.00 57900000.00 59250000.00 56050000.00 60900000.00 59200000.00 57250000.00 64900000.00 61450000.00 62316666.67
Orthophosphate_1
26300000.00 27550000.00 25950000.00 26650000.00 26750000.00 27650000.00 26400000.00 27500000.00 27250000.00 25700000.00 26950000.00 26800000.00 27250000.00 27550000.00 29200000.00 28950000.00 28750000.00 29250000.00 27500000.00 28100000.00 28350000.00 27650000.00
Oxalate
183360.50 192070.50 212111.00 237358.50 232102.00 230510.50 239469.50 177374.50 172753.50 237972.00 192157.00 211765.50 193543.00 193701.50 299738.50 280402.50 300357.50 374622.00 240352.50 274897.50 305116.50 2795054.33
PE(36:2)
466511.00 551594.00 - 64572.00 90909.00 - 143169.00 682855.50 816197.00 - - 56374.00 - 197736.50 597099.50 747139.50 71600.00 169561.00 399185.50 57464.50 208685.50 345249.33
PG(32:0)
353223.00 541545.50 - - 53196.50 - 94171.00 1610031.50 2174370.00 - - 31266.00 - 198506.50 597486.00 1025573.50 27887.50 85331.50 298836.00 17316.50 113256.50 323530.17
PG(32:1)
408665.50 528373.00 - 29203.00 70776.00 - 122691.50 2338684.50 2799553.00 - - 53755.50 - 406348.00 750312.50 1083561.00 41939.50 134828.50 349081.00 53793.00 220720.50 413049.67
PG(33:1)
513599.00 720711.50 - - 47606.00 - 122439.00 1983112.50 2361552.50 - - 23504.00 - 311846.50 963876.00 1386114.00 38976.00 120669.50 382440.50 18493.00 221344.00 450624.00
PG(34:2)
862096.00 1124241.50 25898.00 42242.50 162974.50 26166.00 277465.00 4541141.50 5240102.50 23887.00 22212.00 92361.50 34400.00 1029739.50 1408764.00 1895046.00 137447.00 310903.00 787961.50 206411.00 449115.00 843897.00
PG(35:1)
2022240.50 3019041.50 - 23713.00 126660.00 15683.00 346748.50 4106452.50 5467481.00 14260.00 - 23528.00 - 494180.50 2550747.00 3980218.00 90757.50 276387.00 1041585.50 25688.00 459769.50 1149049.00
PG(35:2)
496375.50 708451.00 - - 56904.00 - 118144.00 1894797.00 2210976.00 - - 21494.00 - 347709.50 750133.00 1066286.50 50333.00 124605.50 368247.50 - 232455.50 385655.33
PG(36:2)
354497.50 494090.50 71000.50 64393.00 86461.00 60154.50 121870.00 907759.50 1194939.00 67972.00 63910.50 77043.00 68854.50 206316.00 440738.00 600408.50 85633.50 128913.00 232782.00 77421.50 149818.00 256777.00
Phellamurin
506241.00 480066.00 369496.50 409820.00 410044.50 354322.50 454788.50 757802.00 714693.50 645553.50 779282.00 708089.50 644115.00 715583.00 - - - - - - - 409868.33
Phenylacetic acid
956332.00 627368.50 489543.50 280612.50 499413.00 420354.00 681876.00 714847.50 714328.00 614438.50 502465.00 581715.50 250781.00 623056.00 534099.50 469362.50 540513.50 340445.00 424176.50 715445.00 368583.50 645417.83
Phenylhydrazine
3317268.50 3330798.50 3686374.50 3565538.00 3948612.00 3474682.50 3323460.50 3118398.00 3147735.50 3612965.50 3516458.00 3369359.50 3225564.00 2952316.00 3185723.00 2945679.00 3305574.50 3142831.00 2836056.00 2927230.50 2587216.50 3315586.20
Phenylpyruvate
2056254.00 2965917.00 4959827.50 3248266.50 3422554.00 682190.50 2280933.50 2997942.50 4332910.50 6136171.50 842866.50 2785725.00 676235.50 3638862.50 1557780.00 2739249.50 721160.50 2485943.50 2937284.00 - 1514644.50 2430804.50
Phe-Ser-Ser-Ser
149189.00 152360.00 243339.00 244673.50 277069.50 227556.50 173397.00 167500.00 173161.50 259841.00 231858.00 232170.50 227657.00 181880.50 142574.50 152701.50 203576.50 182209.00 200264.00 205595.00 162458.50 214758.67
Phe-Thr-Ser
1348790.50 1329044.50 1242085.50 1420962.00 1442970.00 1462503.00 1145908.50 1478474.00 1330552.50 1405633.00 1279616.50 1030047.00 1361089.00 1154462.50 1252754.00 1569964.00 1261529.00 1266955.50 1090386.00 1255755.50 1303304.50 1338098.33
Phosphoenolpyruvate
- - - - - - - - - - - - - - - - - - - - - 124668.83
Phosphophosphinate
354201.00 432909.00 - - - - 196401.00 380909.50 436659.00 - - - - - - 261475.00 - - - - - 661538.83
PI(32:4)
- - 420769.00 415351.00 262501.50 400799.50 55346.00 - - 428666.00 451087.00 382231.00 386941.00 141896.00 - - 316716.00 258851.00 124719.50 357174.50 72146.50 183038.00
PIP(16:1(9Z)/18:0)
1323236.50 995768.50 3055236.00 2878270.50 2898808.00 2907935.00 2320801.00 1837034.00 1605638.50 3063167.50 2930356.00 2977024.50 2908715.00 2548807.00 1688731.50 1184250.50 3092825.00 2876436.00 2443456.00 2985876.00 2467159.00 2348971.83
polyprenylpyrophosphate
18350000.00 15650000.00 14300000.00 15600000.00 14750000.00 19600000.00 15900000.00 39950000.00 41200000.00 42850000.00 31650000.00 30750000.00 36100000.00 29800000.00 - - - - - - - 13907326.17
Porphobilinogen
1744135.00 1694356.00 1823398.50 1653758.50 1990484.00 1651162.50 1476006.00 1642140.00 1646203.50 1859715.00 1774840.00 1872277.00 1640769.00 1597470.00 1733084.00 1614198.50 1549077.50 1647201.00 1628400.50 1601258.00 1621904.00 1699798.00
Portulacaxanthin III
447052.00 529549.50 523822.00 469790.50 519336.00 491774.00 454536.00 482952.00 447682.00 542408.00 466686.50 506046.00 501897.50 445121.50 491318.00 500993.00 495068.00 502338.00 422929.00 497849.50 478486.00 498591.17
Proacacipetalin
2749307.00 2792246.00 2356258.00 2437295.00 2509253.50 2622881.50 2550320.00 2825505.00 2983374.00 2300257.00 2502001.50 2507357.50 2512890.50 2817429.00 2303443.00 2231132.50 1991928.50 2235679.00 2140526.00 2114890.50 2521941.50 2432738.00
Propanoyl phosphate
183671.50 161026.50 320127.50 411487.50 421401.00 192073.50 328908.50 271872.50 257299.50 359449.00 368550.00 472467.50 222972.00 371289.50 127644.50 114200.50 389687.00 300059.50 214305.00 249605.50 170609.50 282377.83
PS(19:1(9Z)/0:0)
1670489.50 1759677.00 1669940.50 1760810.50 1959207.00 1870755.50 2235957.00 2133453.00 2125531.00 2042972.50 2005693.50 2098877.00 2130265.00 2370729.50 1688925.50 1315053.00 2135872.00 1923401.00 2189250.50 1883637.50 1974224.00 1972565.50
pseudaminic acid
471045.00 515408.00 365865.00 323736.00 368059.50 433390.50 423272.00 481789.50 484925.50 329141.50 404348.50 374198.50 396195.50 454286.50 430482.50 415838.00 336016.00 354228.00 371411.50 385401.50 392817.50 376975.83
Pseudopurpurin
- - 141430.00 160471.50 - 152739.00 - 77856.00 - 173157.00 248675.00 237679.50 180302.50 115797.00 - - - - - 171736.00 - 104615.00
Pseudouridine 5^-phosphate
575568.00 617785.00 444183.00 439411.00 463802.50 410658.00 551497.50 515819.00 535291.00 465100.00 406092.00 482423.00 440146.50 441789.50 847777.00 865888.50 586363.50 731218.00 633478.00 512671.50 772076.00 592364.50
Pyruvate
35350000.00 39100000.00 8399017.00 4136242.50 5393234.00 2856083.50 21650000.00 11732284.00 16800000.00 9845407.00 2973860.00 2065630.00 3082925.50 4462634.00 2654653.00 2755723.50 262305.50 415042.00 698133.50 280655.50 1373447.50 6281738.83
Pyruvate oxime
190918.50 145457.00 199508.00 182325.50 195834.50 192853.50 170020.00 160672.50 183383.50 200407.00 209172.00 171986.50 199968.50 180023.00 215653.00 204554.50 228291.50 235751.50 219501.00 182507.50 226084.00 203763.83
Quinate
225774.50 230339.50 211967.50 217427.00 209793.00 241005.00 322831.00 242279.50 214031.00 208263.00 196132.50 185845.50 228809.50 212485.50 274468.00 287512.50 249340.00 230005.00 297601.50 237357.00 261356.50 248494.33
(R)-2-Ethylmalate
10779357.50 9938559.00 11473579.50 10917948.00 10956024.50 12000000.00 10550000.00 8984041.00 8495454.00 9241275.00 9699407.00 9683801.50 9597849.00 9030794.00 8696307.00 8736315.50 8920173.50 8637941.00 7966430.00 9891741.00 8766863.00 8555327.80
(R)-2-Hydroxyglutarate
19650000.00 15600000.00 3359720.50 6815333.00 9271056.00 5854122.50 16400000.00 14100000.00 13150000.00 3153165.50 5695103.00 7215344.00 5603427.50 10681091.50 6481962.00 4779650.00 10267656.00 8896735.00 7264258.00 15350000.00 6753934.00 8505415.33
(R)-3-Hydroxy-3-methyl-2-oxopentanoate
334738.00 291223.50 241456.00 219533.50 302612.00 290356.00 211831.00 281715.50 247496.00 241284.00 252017.50 211360.00 275857.00 230694.00 446952.50 410941.50 405187.50 401644.00 428379.00 356690.00 420887.50 307302.00
Raffinose
922765.00 807690.00 827350.00 723293.50 809199.50 697488.00 773593.50 936568.50 832564.50 855737.50 806798.50 840817.50 839033.00 826866.00 835119.00 805008.50 772452.50 799337.00 745432.50 691594.00 794020.00 1486602.33
Rishitin
235973.00 229217.50 235362.50 229572.00 224297.00 222128.00 282920.00 244639.00 260409.50 233832.50 244958.50 266484.50 267147.50 272892.00 221905.50 215467.00 232324.00 234803.00 214559.00 204960.50 231666.00 251810.50
(R,R)-Tartaric acid
- - - - - - - - - - - - - - - - - - - - - 111337.83
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione
500324.00 455341.50 505123.50 559994.50 568911.00 584592.50 445039.00 494775.50 652851.00 617228.00 615320.00 676558.00 551829.00 463262.50 456719.00 543625.00 519453.00 634557.00 401440.00 517883.00 508153.00 505657.83
(S)-2-Acetolactate
1350997.00 882576.50 1402418.00 1384280.50 1534285.00 1422166.50 1305027.50 1503203.00 790698.50 1096160.00 1139874.00 1126821.00 1419662.50 1066000.00 2595788.50 2582612.50 2605655.50 2262240.00 2201643.00 2203066.00 2462161.00 1758927.50
(S)-3-Methyl-2-oxopentanoic acid
8978710.00 10435849.50 5757796.50 3941183.50 4802881.00 3532044.50 7844197.00 11400000.00 12100000.00 7106118.00 4156055.00 3435699.50 3961221.50 7232814.50 9759859.00 11500000.00 1143269.50 1628812.50 2124857.50 2386134.00 4647020.50 6063383.50
S-(3-oxo-3-carboxy-n-propyl)cysteine
222101.00 153459.00 218395.00 220164.00 280105.50 289190.50 184700.50 244290.50 218511.00 236771.50 234767.00 237797.50 287543.50 238155.00 247652.50 299955.50 309720.50 289474.50 276196.50 248828.00 282888.00 274885.50
(S)-ACPA
185266.50 181278.00 235211.00 272700.00 290813.50 292214.50 204270.00 189669.50 163888.50 222103.50 277086.00 204585.50 213555.50 201327.00 312010.00 318319.00 349199.00 314061.50 287745.00 252775.00 320037.50 264986.67
Sarmentosin
1194139.00 1094987.00 1557417.00 1535194.00 1637667.00 1293730.00 1204183.00 1198666.50 1168878.00 1623286.00 1609896.00 1531856.00 1412816.50 1156025.00 1392451.00 1399564.50 1388696.50 1464570.50 1275445.00 1367270.00 1446219.00 1399849.00
Sarracine
452192.00 319989.00 848504.50 773267.50 962913.50 860753.50 825423.00 803366.00 749547.50 873502.00 975296.00 830052.00 885966.00 745489.00 505658.00 237462.50 709373.50 887914.00 672982.00 785265.00 825356.00 821615.33
Scytalone
483556.50 415738.50 476145.50 397282.50 401511.00 402543.50 431633.50 449693.50 474499.00 410492.50 470750.00 465829.50 434287.00 358661.00 384890.50 493541.50 404937.00 360040.50 435810.00 375995.00 419408.00 413401.00
(S)-Dihydroorotate
222506.00 341407.00 164270.50 176720.00 81382.00 430086.00 141861.00 84476.00 116741.00 135322.50 134613.50 144302.00 383391.00 64463.00 117113.50 327541.50 333454.50 167161.50 128946.50 505654.50 104184.00 257852.67
Sedoheptulose
773220.50 707782.50 654040.00 665287.00 653700.50 672623.50 725290.50 699104.50 778010.50 614487.00 687784.50 659063.50 619385.50 645560.00 803323.00 810398.50 745942.00 716918.50 776630.50 644878.00 743341.50 661827.33
serotonin O-sulfate
443071.50 431630.50 488001.50 509767.50 591517.50 431158.00 419599.00 375006.00 445440.50 493480.50 515137.50 525362.50 527741.00 475190.50 440527.00 463790.00 485728.00 432382.50 487193.00 476192.50 493672.00 476734.33
serotonin O-sulfate_1
809877.00 955622.00 959003.50 878755.00 899637.00 802708.00 857786.00 782622.50 768029.00 1073633.50 998539.50 980191.50 949486.50 874682.50 839923.50 896882.00 897994.00 891621.00 755897.00 844024.00 921034.50 837543.50
Ser-Ser-Tyr
623535.50 590556.00 470094.00 474098.00 485412.50 440994.50 459963.50 509780.00 532336.50 462213.00 457666.50 445941.50 403419.00 427527.00 620992.50 626823.50 446519.00 472104.00 449275.00 396678.00 455893.00 498303.50
Shikimate
300251.00 348408.50 504731.50 507592.50 311278.50 598049.50 288888.00 308008.00 332315.50 625168.00 672044.00 650650.00 722398.00 308165.50 778918.50 779070.00 227204.00 155384.00 255790.50 458291.50 441440.00 354809.50
sinefungin
158875.00 151275.50 147898.00 162187.00 140795.00 149271.00 140956.00 154560.50 135866.50 147950.00 145569.00 148042.00 155050.50 151048.50 187964.00 202054.50 179866.00 170330.50 171248.00 148574.00 162724.50 159685.67
(S)-Lactate
838710.50 671060.00 921358.00 753989.50 900676.50 729278.50 1011642.50 683092.50 453640.50 690042.00 1354182.00 734603.50 677146.00 622288.00 625915.00 509042.50 675644.50 810782.00 769158.00 850478.00 650301.00 483771.67
sn-glycero-3-Phospho-1-inositol
116809.00 122931.50 1144054.50 1515915.00 848327.50 1499709.00 318255.00 113765.00 90680.50 1232821.00 1591647.00 1477981.50 1513458.50 496713.50 98493.50 96786.00 1189438.50 650983.50 298611.50 1675436.50 127436.00 867879.83
sodium dodecyl sulfate
1357498.50 749807.00 789508.50 666676.00 519727.50 745315.00 1768776.50 1229195.00 1247368.00 558374.50 1624718.00 2228507.50 803625.00 752351.00 772724.50 851442.00 960325.00 668833.50 666594.00 741808.50 1903826.00 1400044.33
Stachyose
468218.50 380906.50 352064.00 383585.00 356036.50 366288.00 364678.50 392440.00 413147.00 385907.50 358277.50 357309.00 459622.00 408903.00 386091.50 368696.00 366834.00 321669.00 348202.50 412825.00 336312.50 1200376.17
[ST dimethyl(4:0/3:0)] (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-9,...
499978.50 495498.50 415768.50 440076.50 423764.00 346158.50 436948.50 706873.50 691631.00 398662.00 419095.00 394443.00 337190.50 456026.50 500668.00 588201.50 400923.00 426981.50 459656.00 329271.00 439833.00 480153.50
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid
282229.00 304467.00 306766.00 322957.00 298781.00 253492.50 281028.50 320606.50 285730.50 317131.00 288606.00 241804.00 289088.50 287091.00 222143.00 245146.50 415379.50 387165.00 287368.00 240310.00 254075.00 308297.00
Subaphyllin
6018759.00 4790914.50 12650000.00 13550000.00 10893557.50 14700000.00 8582011.00 7432674.50 6947750.00 10650000.00 10950000.00 11250000.00 11300000.00 9646357.00 8663542.50 5359156.50 23250000.00 20750000.00 16750000.00 26500000.00 15200000.00 13521054.50
succinamate
325885.00 352883.50 346866.00 370360.50 330366.00 338572.50 335938.50 347682.00 319567.50 325987.50 297743.00 296326.00 326824.00 342692.00 430583.00 399373.00 346902.00 386410.00 370037.00 335515.50 363749.50 362983.17
Succinate
94850000.00 99900000.00 31600000.00 12250000.00 30350000.00 16650000.00 69950000.00 44050000.00 50700000.00 32400000.00 10055179.00 7304283.00 16550000.00 18100000.00 97500000.00 102000000.00 10696686.50 19000000.00 30700000.00 5710515.00 54450000.00 43583333.33
Succinate semialdehyde
429354.50 702568.50 261232.00 228001.50 152826.00 198120.50 362871.50 405536.00 782418.00 605314.50 695214.00 511901.50 333250.50 315466.00 93731.00 109758.00 102350.50 97128.50 65429.00 142228.00 130944.00 254123.67
Sulfoacetate
52515.00 40352.00 55496.00 46669.50 50515.00 60941.00 38700.00 51652.50 34403.00 53967.50 44489.50 38825.00 64172.00 47844.50 65897.50 49753.50 59711.50 60914.00 68254.00 62180.00 61200.50 709715.17
Swainsonine
163710.00 171453.50 175020.50 187354.50 208402.50 181261.50 182883.50 172787.00 176373.50 176894.00 161360.50 187422.00 161682.00 178104.50 247908.00 248435.50 245747.00 222428.50 231742.00 181639.00 211355.50 192455.00
Taurine
171255.50 169793.50 191171.00 205250.00 181379.00 188154.00 164511.00 150136.50 182751.00 184700.50 166916.00 174216.00 179467.50 173414.50 219187.00 198176.50 195157.00 189348.50 169912.00 169823.50 191977.50 176477.00
Tetracosanoic acid
45484.00 47441.50 65960.50 31501.00 27969.00 45758.00 36665.00 67909.00 48710.00 30423.00 86985.50 80453.00 44035.50 32931.00 53011.00 49622.00 36683.50 37646.50 45104.00 75933.00 48118.00 85249.83
Tetradecanoic acid
2388731.00 3913714.00 2421045.00 1472616.50 1540822.00 1855807.00 1909652.50 5450058.50 2128764.50 2322113.50 3916468.00 1675931.50 1845493.00 1873086.00 3283050.00 3372894.50 1983686.00 1416517.00 3902995.00 1470785.50 1630377.00 3005298.67
Thr-Glu-Glu-Glu
83055.00 60910.50 164845.50 160991.00 170235.50 148792.50 114359.50 106622.00 89223.00 151671.50 153355.50 149296.00 126792.00 101892.50 96316.50 93193.50 132058.50 140080.00 125666.50 144145.50 126313.00 276316.17
Thr-Pro-His
762484.50 816142.00 583243.00 622492.50 632930.00 677321.00 749264.50 714034.00 818672.50 667963.00 663604.00 682268.50 691777.00 735046.00 772765.50 727231.00 709573.00 783620.00 658691.50 739278.00 731735.50 751715.50
Thr-Pro-His_1
584034.00 636080.00 444953.00 446785.50 463919.00 499191.50 519035.00 545055.50 576592.50 466142.00 479161.00 532728.00 626296.00 507465.50 582930.50 568041.50 609082.00 558039.50 489174.00 449081.50 542254.00 566747.17
Thr-Tyr
80770.50 61586.00 102166.50 150961.00 97650.50 155764.00 113386.00 90142.00 79396.00 68578.50 132276.50 160254.00 127144.50 109998.50 109515.50 79351.00 138374.50 126027.50 112129.00 159511.00 124231.00 111349.50
trans-Aconitate
249359.50 264417.00 222708.00 228890.50 236342.00 235918.50 270017.50 212343.00 239593.50 231711.50 213973.50 214096.50 233772.50 218716.00 293022.50 267624.00 268351.50 270371.00 264688.00 274184.00 283254.00 550658.50
Tremulacin
529192.50 528732.50 681137.00 670333.00 623940.50 593832.00 552589.50 652433.50 654229.50 815124.50 960537.50 787888.00 792169.50 717193.00 - - - - - - - 498446.50
Tremulacin_1
940374.50 969950.50 1004649.00 1051112.50 880961.50 977895.00 926104.00 1363585.00 1572010.50 1496092.00 1591881.50 1557342.50 1344422.50 1232785.00 - - - - - - - 720474.50
Tri-N-acetylchitotriose
- 9066.00 - 34543.00 69992.00 19975.50 28517.50 16863.50 17291.00 - - - 21978.50 13084.00 73211.00 33828.00 492754.50 799180.00 745032.00 226852.50 505747.50 222692.17
Trp-Ala
286311.00 201457.00 492306.50 420983.50 386920.50 406830.50 286444.00 456866.00 465500.50 472248.50 603797.00 515604.50 531613.50 446498.00 - - 348854.00 344417.50 280463.50 441299.50 216505.00 365447.00
Trp-Cys-Arg
196877.00 208270.50 308200.50 290752.00 336337.00 254210.50 206530.50 191419.00 179176.50 294953.00 317662.50 303690.00 248062.50 199792.00 187793.50 181308.00 179826.00 174063.00 166252.00 179266.50 207803.50 235452.67
Trp-Ser
303153.00 313393.00 258307.00 242587.50 241272.50 240243.00 272414.50 270402.00 281379.00 232351.50 227363.00 222654.50 257348.50 276289.50 282980.00 259054.00 255166.00 281755.00 230030.50 266123.50 268932.00 263207.00
UDP
123632.50 100981.50 - - 78241.50 - 142151.50 57445.00 70398.00 - - - - 72381.50 65795.00 - - - - - 71723.50 101714.67
UMP
523218.00 493379.50 351283.50 320427.00 912388.00 305548.50 1026902.50 1130706.00 1286607.50 362060.00 294066.00 274509.00 303780.50 1383707.50 655624.50 659729.50 488607.00 681173.50 713727.50 209922.50 669375.50 619736.67
Urate
7286177.00 7994424.00 3747182.50 4800808.50 5235145.00 2539055.00 5573390.00 2602209.00 3757255.00 4100014.00 378874.50 487498.50 2397215.50 2080431.50 12950000.00 14250000.00 3921486.50 6891805.50 10300000.00 779448.50 11400000.00 5930987.17
Val-Pro
7873012.50 7692301.50 7994778.00 7961419.50 8125888.50 8805527.00 7797124.00 8772787.50 8177585.50 7731231.50 8240311.50 8111321.50 7982234.50 8046024.50 7565824.50 7252140.50 8294672.00 7940428.50 7264203.50 8520922.00 8384817.50 8182941.17
Veratridine
3330527.00 3786394.50 5634448.50 4779133.50 5039640.00 4670208.00 5033470.00 4141833.00 4572651.50 3992480.50 4724918.00 4586856.00 4347600.00 4861856.50 5221586.00 4627682.50 5058598.00 5666068.00 5043936.50 4912646.50 4891557.00 4985013.33
Vicianose
244120.50 207666.00 214185.50 231495.00 258545.50 255518.00 244600.00 208206.50 247519.00 262994.50 248343.50 232577.00 290425.50 259116.50 265539.50 283389.50 275853.00 309368.50 266247.50 290576.50 339401.50 248371.17
Withasomnine
12250000.00 13200000.00 9604524.00 9724433.50 9750835.00 8838581.50 10435007.00 10176925.00 13250000.00 11250000.00 10456141.00 11200000.00 8751187.00 10098562.00 9312349.00 9171566.00 9579439.00 9949795.50 8670159.50 10500000.00 9392130.00 7769241.33
Xylobiose
800274.50 805189.50 769885.00 805625.50 748143.50 757631.00 940518.50 698731.00 833473.00 840378.50 791626.00 812615.50 832493.00 901696.50 759161.50 867573.00 804404.50 795932.50 760958.50 780986.50 840622.00 1005937.33
Xylobiose_1
259696.00 245135.50 222483.00 226988.00 259316.00 252606.00 256235.00 274634.00 273470.50 220876.50 223467.00 225517.00 223993.00 235824.00 291139.50 286230.50 288252.00 315985.00 268743.00 274480.50 319129.50 272644.17
(Z)-But-2-ene-1,2,3-tricarboxylate
- - - - - - - - - - - - - - - - - - - - - 207672.17
Zearalenone
51783.50 66334.50 64367.50 29636.50 54530.00 79994.00 48471.50 75507.50 132721.00 38153.00 40358.50 29684.00 58422.50 75839.00 81431.00 63931.00 55161.00 50269.50 39414.50 55818.00 54973.50 63170.33

Factors:

F1treatment:M_Cefto_3g_143h
F2treatment:M_Cefto_3g_167h
F3treatment:M_Cefto_3g_23h
F4treatment:M_Cefto_3g_47h
F5treatment:M_Cefto_3g_71h
F6treatment:M_Cefto_3g_7h
F7treatment:M_Cefto_3g_95h
F8treatment:M_Cefto_6g_143h
F9treatment:M_Cefto_6g_167h
F10treatment:M_Cefto_6g_23h
F11treatment:M_Cefto_6g_47h
F12treatment:M_Cefto_6g_71h
F13treatment:M_Cefto_6g_7h
F14treatment:M_Cefto_6g_95h
F15treatment:M_Control_143h
F16treatment:M_Control_167h
F17treatment:M_Control_23h
F18treatment:M_Control_47h
F19treatment:M_Control_71h
F20treatment:M_Control_7h
F21treatment:M_Control_95h
F22treatment:Pooled QC
  logo