Data for ST003024
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-carboxymalonamate | 61346.00 | 144159.50 | 154260.00 | 57267.67 | 193309.50 | 193205.33 | 80230.00 | 117763.00 | 168360.67 | 77892.67 | - | - | 62112.00 | 42823.50 | 127028.33 | 107333.33 | 99054.33 | 114260.33 | 77140.33 | 32087.00 | 24187.00 | 121944.00 | 65091.50 | 139228.33 | 169843.33 | 182643.67 | 122230.67 | 173019.33 | 87441.00 | - | 20713.00 | 40977.00 | 70147.00 | 144360.00 | 116930.00 | 104355.67 | 128863.00 | 79130.67 | 184346.33 | 112308.83 | |
| 2,3-dihydroxybenzohydroxamoyl adenylate | - | - | - | - | - | - | - | 129952.00 | 120567.00 | - | 134793.00 | 145900.33 | 124192.50 | 130321.00 | - | 79958.00 | 104965.50 | 20839.33 | 118849.67 | 101420.00 | 120792.00 | 110225.00 | 112357.00 | 16133.00 | - | - | 12755.00 | 24687.00 | - | 143435.33 | 122154.67 | 132482.00 | 120458.00 | 114031.67 | 117449.67 | 121063.00 | 95823.67 | 126325.00 | - | 76197.17 | |
| 2,4-didehydro-3-deoxy-L-rhamnonate | 1959865.33 | 224016.50 | 232592.00 | 2273332.33 | 226699.00 | 190035.00 | 464901.33 | 1440041.00 | 189208.00 | 1498549.33 | 657825.67 | 487821.67 | 168114.00 | 122705.50 | 215770.33 | 194738.00 | 190220.33 | 799315.67 | 157388.33 | 1549625.33 | 1584379.67 | 173382.50 | 121815.50 | 518506.00 | 229142.00 | 206783.67 | 1027603.33 | 223019.67 | 319388.00 | 456791.67 | 284532.67 | 110124.00 | 567323.67 | 192267.00 | 166942.00 | 151563.33 | 316211.33 | 154228.33 | 269530.67 | 391392.92 | |
| 2-(4-sulfophenyl)decane | 384367.67 | 402314.50 | 383496.33 | 407378.33 | 388615.00 | 383388.67 | 365162.67 | 375243.33 | 421501.33 | 368717.67 | 451314.33 | 403680.33 | 413968.00 | 381824.50 | 377685.00 | 406559.33 | 416357.00 | 384076.00 | 411409.00 | 373369.00 | 432118.67 | 395050.50 | 409321.50 | 352086.33 | 385503.00 | 385095.33 | 443306.33 | 408292.67 | 400904.00 | 403311.00 | 404492.33 | 411720.00 | 399960.33 | 415468.67 | 427832.33 | 391361.67 | 427416.67 | 424429.67 | 386083.67 | 370829.08 | |
| 2,5-pyridinedicarboxylate | 932697.33 | 966183.50 | 843944.33 | 864360.67 | 828786.50 | 861566.00 | 968658.00 | 799753.33 | 861087.67 | 876062.67 | 818731.67 | 779296.00 | 895538.00 | 844878.50 | 823100.67 | 857910.67 | 776590.33 | 860388.00 | 872657.33 | 725471.00 | 798692.33 | 847545.00 | 845332.00 | 751834.00 | 827123.67 | 805548.00 | 858369.00 | 881222.67 | 863850.67 | 800174.33 | 764045.00 | 836207.00 | 841169.33 | 854434.33 | 755321.00 | 811855.33 | 916342.67 | 825500.33 | 862041.67 | 913992.08 | |
| (2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phos... | - | - | - | - | - | - | - | 109866.00 | 131874.00 | - | 104423.33 | 100936.67 | 139708.50 | 111811.50 | 26287.33 | 68443.50 | 89264.67 | 41528.00 | 145966.67 | 135303.00 | 72002.00 | 68651.00 | 127063.00 | 31593.67 | 8923.00 | - | 44508.00 | 52199.00 | - | 106456.33 | 147520.67 | 152047.00 | 103853.00 | 137833.00 | 138563.00 | 137638.00 | 110625.67 | 150561.00 | 16693.00 | 99490.42 | |
| 2-acetamidoglucal | 351337.33 | 476886.50 | 437350.00 | 362751.33 | 455878.00 | 469678.00 | 331069.67 | 510084.00 | 604160.33 | 359551.67 | 869798.67 | 821863.00 | 972634.50 | 923366.50 | 408636.00 | 389699.00 | 648397.00 | 429558.33 | 811918.33 | 448872.00 | 479646.33 | 573060.50 | 777058.50 | 422034.33 | 487390.33 | 462370.67 | 430651.33 | 465336.67 | 357586.67 | 665434.33 | 582996.33 | 721944.00 | 576546.00 | 659645.00 | 698132.67 | 745134.00 | 384531.67 | 719289.00 | 478261.33 | 435413.33 | |
| 2-C-Methyl-D-erythritol 4-phosphate | 25989681.33 | 26919270.00 | 19523615.67 | 21403960.00 | 23894585.00 | 25002362.67 | 22845610.00 | 24556891.33 | 22761379.00 | 24000088.67 | 20257117.33 | 21738493.67 | 28126522.00 | 26723765.00 | 18950452.67 | 21516456.67 | 21483124.67 | 21295219.33 | 20390215.33 | 16651415.00 | 19852439.67 | 22096108.00 | 24510413.00 | 19857222.67 | 20742834.67 | 20160163.67 | 21638732.67 | 21909693.33 | 20456071.33 | 22323396.00 | 21152565.33 | 21941834.00 | 22137472.00 | 20866041.00 | 18717925.00 | 19126007.00 | 22354495.33 | 22055632.00 | 20328334.67 | 68523223.67 | |
| 2-dehydro-3-deoxy-D-fuconate | 24442608.67 | 24888606.00 | 22916571.33 | 23564957.33 | 23703020.00 | 23425954.00 | 24715792.00 | 23743238.67 | 23388606.00 | 23596196.67 | 22316162.00 | 22824517.33 | 22736668.00 | 22577161.00 | 22587109.33 | 22461122.67 | 22101752.67 | 23971762.67 | 21702184.67 | 20071829.33 | 21239201.33 | 22642245.00 | 22550617.00 | 21283698.67 | 22311890.00 | 21678698.00 | 22963524.00 | 22622618.00 | 22910296.67 | 22526620.00 | 21322844.67 | 21418028.00 | 22322272.67 | 22443268.00 | 20304155.33 | 21751218.00 | 22773698.00 | 21583038.00 | 21251112.67 | 22446176.17 | |
| 2-deoxy-3-dehydro-D-ribonate | 1217517.67 | 1697570.00 | 1973240.67 | 1234477.33 | 2177806.00 | 2007460.00 | 1503923.67 | 1821057.33 | 2273844.00 | 1424090.33 | 2549869.67 | 2867312.33 | 4534411.50 | 3821152.50 | 1984024.00 | 2240479.33 | 3105728.33 | 1823312.00 | 3989556.67 | 1506421.00 | 1858750.33 | 3052001.00 | 4180704.50 | 1787710.33 | 2161066.67 | 2130081.00 | 1957984.33 | 2372978.00 | 1413371.67 | 2726273.33 | 2622914.67 | 4351670.00 | 3441460.67 | 2795059.00 | 2767940.33 | 3903767.00 | 3038094.33 | 4077705.67 | 1777935.33 | 2413215.00 | |
| 2-hydroxy-4-oxobutanoate | 9690738.67 | 14559026.00 | 12730700.00 | 8008702.33 | 13893122.00 | 14337905.00 | 11317200.33 | 38672441.67 | 12488169.67 | 8995870.67 | 58859605.33 | 66782101.33 | 78876300.00 | 73225964.00 | 31014274.00 | 14023454.67 | 22013074.00 | 13580580.00 | 33077691.67 | 13400482.33 | 17952111.67 | 32075754.50 | 50936012.00 | 25155088.67 | 13476201.67 | 12062123.33 | 13345379.00 | 13920735.67 | 10413622.67 | 58554490.67 | 66645353.33 | 73532616.00 | 61734433.67 | 7138407.67 | 11445732.67 | 20131026.33 | 8157360.00 | 32532964.67 | 13277386.00 | 30620610.83 | |
| 2-hydroxy-5-oxoproline | 9110837.67 | 9912819.50 | 9150340.00 | 8910926.00 | 9037918.50 | 10262040.67 | 9121346.00 | 7885097.67 | 9834427.67 | 8763994.00 | 7061775.00 | 6867454.33 | 8813477.00 | 6501964.00 | 8388175.33 | 8712838.33 | 9206791.67 | 8897899.67 | 8842663.67 | 7531458.33 | 7661292.33 | 8753144.00 | 7601594.00 | 8887714.67 | 9916262.00 | 9320001.00 | 8918152.67 | 9763737.33 | 8781005.67 | 6780517.67 | 6401448.67 | 6944756.00 | 8026123.00 | 9696873.00 | 8708995.33 | 9313066.33 | 9644853.33 | 8963380.33 | 9156455.00 | 9615007.83 | |
| 2-hydroxy-5-oxoproline_1 | 3536970.00 | 4384289.00 | 3989125.33 | 3332134.67 | 4373801.50 | 4515564.33 | 3727363.67 | 3379845.67 | 4540059.00 | 3379886.33 | 3108173.00 | 2780731.67 | 5070717.50 | 3666144.50 | 3957413.33 | 3790941.00 | 4260571.67 | 3768345.00 | 4461182.33 | 2910635.33 | 2990065.67 | 4284163.00 | 4265755.50 | 3966060.00 | 4230633.33 | 4233450.67 | 3915898.00 | 4487475.67 | 3657318.00 | 3050076.33 | 2789932.67 | 3667242.00 | 4020118.00 | 4373849.33 | 3833354.00 | 4426501.33 | 3991282.00 | 4492154.67 | 4335293.00 | 4055836.42 | |
| 2-hydroxyhexa-2,5-dienoate | 1116410.33 | 766729.50 | 641146.67 | 917022.00 | 485628.00 | 491280.00 | 989912.33 | 853992.33 | 454718.67 | 1062455.00 | 823820.67 | 947964.00 | 660910.00 | 793560.00 | 711349.67 | 689762.00 | 471637.67 | 938532.67 | 391852.33 | 730606.00 | 873057.33 | 614694.50 | 506649.50 | 520575.67 | 453024.67 | 470821.00 | 783594.00 | 468599.00 | 1015459.67 | 828896.67 | 906776.67 | 782017.00 | 616374.67 | 435483.00 | 354368.00 | 414440.33 | 826722.33 | 442027.67 | 498507.67 | 637027.83 | |
| 2-Methyl-4-propyl-1,3-oxathiane | 794348.67 | 791979.50 | 845258.00 | 805977.00 | 784410.00 | 811804.00 | 782580.67 | 852889.00 | 839732.33 | 864067.33 | 844393.33 | 800399.00 | 872340.50 | 810812.50 | 861160.33 | 797815.33 | 834810.67 | 847310.00 | 842737.33 | 849285.33 | 778392.67 | 872795.50 | 827900.00 | 867281.00 | 787629.00 | 824259.00 | 861769.33 | 861859.00 | 837892.00 | 863276.00 | 830319.67 | 804000.00 | 847175.00 | 862895.67 | 874697.00 | 803755.67 | 802902.67 | 827016.00 | 824509.33 | 830274.58 | |
| (2S,4S)-Monatin | 25406638.00 | 24684535.00 | 22952147.33 | 24509206.67 | 24593258.00 | 25418900.00 | 24004212.00 | 17796113.67 | 21258119.00 | 24535813.33 | 6809290.33 | 5766607.33 | 6268979.50 | 4598256.00 | 22716116.00 | 21650324.00 | 19011166.67 | 23570969.33 | 14635228.33 | 13041738.00 | 12816175.33 | 18683834.00 | 6626978.00 | 23303191.33 | 24308040.67 | 23200186.67 | 24243018.67 | 23425874.67 | 23038028.67 | 4240062.00 | 3320863.33 | 3050327.00 | 9654932.00 | 21840482.00 | 12817750.00 | 7778318.00 | 23873261.33 | 6505107.67 | 22637445.33 | 17430044.83 | |
| (2S,4S)-Monatin_1 | 15125847.00 | 15347893.00 | 14544903.67 | 15124851.67 | 16227908.00 | 16541421.33 | 14206420.33 | 15375427.33 | 17570718.67 | 14724197.33 | 14991168.00 | 14879573.00 | 18740656.00 | 16146631.00 | 14775521.33 | 14047839.67 | 16061313.33 | 15040066.67 | 16187227.67 | 13505718.67 | 14611099.00 | 16715397.50 | 16975789.50 | 15240746.67 | 16426249.67 | 15222731.67 | 15784534.67 | 15854224.00 | 13845038.33 | 15264818.33 | 14459652.67 | 14988836.00 | 16087604.67 | 16042932.00 | 15666290.00 | 16115810.67 | 15233771.00 | 16740893.00 | 15395624.67 | 15634767.92 | |
| 3^-AMP | - | - | - | - | - | - | - | 347228.00 | - | - | 459024.67 | 592308.67 | 748823.50 | 1116030.50 | - | 53752.00 | 123915.50 | - | 240598.00 | 242255.00 | 390740.50 | 621446.00 | 696709.50 | - | - | - | - | - | - | 162662.33 | 198875.67 | 290318.00 | 346160.50 | - | - | 41586.33 | - | 68439.67 | - | 146482.00 | |
| 3-Ethylmalate | 1966138.00 | 1866778.50 | 1840183.33 | 1885596.33 | 1588433.50 | 1720125.00 | 1786653.33 | 1769327.00 | 1836119.33 | 1821450.67 | 2040014.67 | 1984970.67 | 2140655.00 | 1630802.50 | 1696887.67 | 1623485.33 | 1857416.33 | 1789920.67 | 1842091.00 | 1831595.00 | 1913105.67 | 1731379.50 | 1634699.00 | 1688217.67 | 1880353.67 | 1855177.67 | 1938275.00 | 1727927.67 | 1968629.67 | 1867164.33 | 1782926.00 | 1770978.00 | 1976218.33 | 1816403.67 | 1662150.33 | 1834288.33 | 1880323.33 | 1753876.67 | 1782755.33 | 1924491.25 | |
| 3-formyl-4-hydroxybenzoate | 708241.67 | 724966.50 | 707277.00 | 671405.67 | 734661.50 | 796829.00 | 725676.67 | 514441.00 | 776668.67 | 682559.00 | 521098.33 | 471300.33 | 565666.00 | 635996.50 | 690110.67 | 741611.00 | 674028.00 | 677002.00 | 656781.33 | 506568.00 | 543621.67 | 776341.00 | 698732.50 | 725659.67 | 799460.33 | 671006.00 | 786062.00 | 682575.00 | 734175.33 | 499713.67 | 468133.33 | 570735.00 | 593019.33 | 734850.33 | 678426.00 | 803429.00 | 773490.33 | 659055.33 | 667667.33 | 707458.75 | |
| 3-hydroxy-4-methyl-benzoate | 1830688.33 | 4014094.00 | 4232695.33 | 2261357.33 | 5000614.50 | 5050895.00 | 2394013.67 | 2197901.00 | 5468991.67 | 2529190.67 | 1762195.33 | 1777998.67 | 5513698.00 | 4472846.50 | 3970479.33 | 4481668.33 | 5258171.33 | 2849814.00 | 5935502.00 | 1633964.33 | 1356727.00 | 4860218.00 | 4430065.00 | 3730174.67 | 5227425.67 | 4763319.00 | 3229064.67 | 5557951.67 | 2821207.33 | 1950127.00 | 1511972.33 | 2683168.00 | 4373501.33 | 5402220.00 | 4882416.33 | 4956558.33 | 3412759.33 | 4704835.00 | 4244080.00 | 3817536.17 | |
| 3-hydroxy-4-methylnonanoate | 54611.00 | 79810.50 | 57969.67 | 42600.00 | 48775.50 | 63240.67 | 48141.00 | 565748.67 | 121483.67 | 78371.67 | 644911.00 | 871557.33 | 916810.00 | 1215895.50 | 78902.33 | 118103.67 | 252633.33 | 76506.67 | 395784.00 | 233101.00 | 360420.00 | 362358.50 | 770042.00 | 67971.33 | 92236.00 | 77075.67 | 60542.00 | 78956.67 | 62365.67 | 760020.00 | 947129.00 | 931041.00 | 882903.67 | 147149.00 | 264486.33 | 417311.67 | 63615.00 | 504600.33 | 62959.33 | 306469.42 | |
| 3-Hydroxyhexobarbital | 22522929.33 | 17955427.00 | 21308419.33 | 22639526.67 | 15614860.00 | 17888522.00 | 20240795.33 | 16656915.67 | 17482789.67 | 23799426.67 | 18956853.00 | 20586809.67 | 12362299.00 | 9239147.00 | 19922806.00 | 19338741.33 | 19140879.33 | 21529530.00 | 16757342.67 | 18795897.67 | 20787815.33 | 16052234.00 | 12484125.50 | 18129308.67 | 18511790.00 | 17552227.33 | 20797233.33 | 18851134.67 | 20097249.33 | 18837996.67 | 16664919.00 | 14594728.00 | 14429011.33 | 18493629.67 | 15184656.33 | 18872637.33 | 19569126.67 | 17238680.67 | 16443063.00 | 15705281.33 | |
| 3-Hydroxyhexobarbital_1 | 2226261.33 | 1945075.50 | 2407950.67 | 2150345.33 | 2036091.50 | 2552397.67 | 1865277.33 | 2149860.00 | 2164005.00 | 2478382.33 | 1890002.33 | 2503495.00 | 2414698.50 | 2480526.00 | 2062497.67 | 2080922.33 | 2101195.67 | 1917711.67 | 2874045.00 | 2011645.67 | 2313990.33 | 1917223.00 | 2614604.50 | 1802342.67 | 2833016.00 | 2335383.00 | 2178668.33 | 3005669.33 | 1823034.00 | 1993408.33 | 2073690.33 | 2250592.00 | 2602190.67 | 2484425.67 | 1828638.00 | 2015475.33 | 2341386.67 | 2697264.33 | 2381234.67 | 2086287.75 | |
| 3-Oxo-carbofuran | 3870748.67 | 3359125.50 | 2914061.00 | 3972809.33 | 2822025.50 | 3027489.33 | 3783046.00 | 3202654.33 | 2654520.00 | 3609742.67 | 2768951.67 | 2853566.67 | 2159652.00 | 1895735.00 | 3162284.00 | 2852781.00 | 2668636.00 | 3297857.00 | 2357583.67 | 3180273.00 | 3753260.00 | 2991775.50 | 2034821.50 | 3062392.00 | 3051559.33 | 2830406.67 | 3523056.67 | 3026140.00 | 3341732.00 | 2585496.00 | 2542025.67 | 2453950.00 | 2438972.33 | 2380607.33 | 1880789.00 | 1910715.67 | 3213763.33 | 1905910.33 | 2632767.67 | 2721816.08 | |
| 3-oxo-isoapionate | 113871.00 | 126353.00 | - | - | - | - | 95382.00 | - | - | - | - | - | - | - | - | 151181.00 | - | 97551.00 | - | - | - | 108252.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 106421.67 | |
| 3-Oxooctadecanoic acid | 47640.33 | 166693.50 | 97214.33 | 55896.00 | 129538.50 | 87264.67 | 72513.00 | 505058.00 | 59963.33 | 107011.67 | 100906.33 | 169131.00 | 273092.00 | 186985.00 | 202107.67 | 102832.67 | 76690.67 | 66649.00 | 157574.33 | 114012.00 | 153651.00 | 174185.00 | 163125.50 | 121419.00 | 210360.33 | 140645.67 | 51241.33 | 81066.00 | 101111.67 | 152565.67 | 178868.00 | 187726.00 | 602831.00 | 39226.00 | 53458.00 | 71283.67 | 35027.33 | 104520.33 | 89539.67 | 155783.17 | |
| 4-ethylheptanoate | 8004212.00 | 11252225.00 | 7390272.67 | 16879115.67 | 9450685.00 | 16206019.33 | 9979407.33 | 12424059.33 | 13466672.33 | 14081771.00 | 17420861.33 | 20695728.67 | 11818016.50 | 12819296.00 | 8013992.00 | 8664506.67 | 12237463.67 | 15299914.00 | 13721294.67 | 11579127.67 | 8814865.67 | 18648448.00 | 11256167.00 | 8661043.00 | 10545807.00 | 11112647.33 | 9928240.33 | 12859731.00 | 15714721.67 | 10687449.00 | 14007944.67 | 13645875.00 | 12444633.67 | 14348483.67 | 11170157.33 | 11509726.33 | 17002685.67 | 11486469.67 | 10447266.33 | 6215010.50 | |
| 4-Hydroxybenzaldehyde | 33762191.33 | 44144830.00 | 60505675.33 | 55158858.67 | 46854980.00 | 80364682.67 | 46468935.33 | 33374441.67 | 76689896.00 | 52335001.33 | 40649590.67 | 59231500.00 | 72199662.00 | 58851624.00 | 54874824.67 | 66059060.00 | 72818584.00 | 53142756.00 | 103597170.67 | 23959692.00 | 15479734.67 | 61480960.00 | 62072910.00 | 65606174.67 | 58221304.00 | 63513428.00 | 56456513.33 | 72043161.33 | 65139261.33 | 28420765.33 | 27505791.67 | 49611940.00 | 59577985.33 | 92735546.67 | 75142641.33 | 62770742.67 | 69483010.67 | 75829310.67 | 73836273.33 | 46132501.67 | |
| 4-Hydroxybenzoic acid | 366616.00 | 1429807.00 | 1492356.33 | 363582.67 | 2009804.50 | 1954461.33 | 495251.00 | 1074779.33 | 2566137.00 | 644304.00 | 1254688.33 | 949637.33 | 4552434.50 | 3228956.00 | 1815795.67 | 2135332.67 | 3476214.67 | 1758033.00 | 4022832.67 | 947496.00 | 681420.33 | 2927864.50 | 4259799.00 | 1876284.33 | 1939149.67 | 1951220.67 | 1915635.67 | 2553973.33 | 784400.67 | 1223878.33 | 999477.33 | 2403825.00 | 3117896.33 | 3494775.33 | 3448694.33 | 3812710.67 | 2271315.33 | 3944912.00 | 2148886.67 | 2260046.42 | |
| 5-amino-2,4,5-trioxopentanoate | 175586.67 | 225579.50 | 195727.00 | 156519.33 | 187227.50 | 198974.67 | 204401.00 | 125355.33 | 185884.33 | 189773.67 | 106326.67 | 76049.00 | 234798.50 | 274409.00 | 171272.00 | 175113.33 | 186539.67 | 174632.00 | 207636.00 | 73916.00 | 71577.00 | 176411.50 | 208959.00 | 155347.67 | 192904.67 | 180095.67 | 181354.33 | 186559.00 | 163380.33 | 99756.67 | 71868.67 | 176227.00 | 216259.67 | 168560.33 | 163581.67 | 185314.00 | 180452.00 | 175296.67 | 181667.33 | 180876.25 | |
| 5-hydroxymethylcytosine | 198718.00 | 947322.00 | 854578.67 | 455123.00 | 997879.50 | 965069.33 | 326013.33 | 1004902.00 | 900252.67 | 291215.00 | 169138.00 | - | 1083572.50 | 913681.50 | 779047.67 | 902720.67 | 1018849.33 | 506498.00 | 1019051.00 | 141274.33 | - | 765328.50 | 1024371.00 | 711661.00 | 887065.33 | 884770.00 | 535712.67 | 927362.33 | 403279.67 | 156797.00 | - | 473176.00 | 760142.00 | 849143.67 | 781041.33 | 819582.67 | 623293.33 | 879596.00 | 899110.00 | 1415704.00 | |
| 5-Hydroxypentanoic acid | 2420649.67 | 3125710.50 | 4154351.00 | 2564067.00 | 4208371.50 | 4363819.00 | 3084163.00 | 6509569.33 | 7705212.33 | 2791847.00 | 12240623.33 | 12758588.33 | 19521039.00 | 15718661.50 | 5874304.67 | 6151268.33 | 10989528.67 | 5237890.67 | 15974761.00 | 6816928.67 | 8866943.33 | 13014933.50 | 19020414.00 | 5705592.33 | 4684053.67 | 4535509.33 | 6930228.67 | 5879278.33 | 3508127.00 | 8612316.33 | 10047932.67 | 17133062.00 | 15038225.33 | 14066592.67 | 12787373.00 | 14068757.00 | 5981710.67 | 14788087.67 | 4310592.00 | 7476300.83 | |
| )-5-[(tert-butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro... | 425959.67 | 463383.50 | 434045.00 | 369665.67 | 430016.00 | 412892.33 | 427333.00 | 422600.00 | 421251.00 | 408934.00 | 435099.00 | 428258.33 | 421338.00 | 428615.50 | 404789.67 | 453293.33 | 424457.67 | 423638.00 | 404261.67 | 396919.33 | 413890.00 | 419513.50 | 416684.50 | 430329.33 | 397952.00 | 381819.00 | 443826.67 | 437462.00 | 428994.00 | 434574.00 | 426435.00 | 358344.00 | 358911.33 | 433653.33 | 368862.33 | 362651.67 | 407828.67 | 371835.00 | 409964.33 | 410253.67 | |
| 6-aminonicotinate | 109866.00 | 109841.00 | 246740.00 | 119791.33 | 118947.00 | 198233.33 | 130797.67 | 9125338.33 | 605124.67 | 101556.67 | 7477680.67 | 10319233.67 | 9759634.50 | 13090015.00 | 410040.67 | 456523.00 | 912746.67 | 159664.67 | 1913767.00 | 1529476.33 | 2711421.00 | 2660383.50 | 5628072.50 | 294717.67 | 365583.67 | 240938.33 | 169863.00 | 203392.00 | 110792.67 | 12439790.00 | 16750593.33 | 17649460.00 | 12734404.33 | 757816.33 | 1560386.00 | 2905540.00 | 156958.00 | 4640185.67 | 138781.67 | 3132604.33 | |
| 6-Phosphonoglucono-D-lactone | 642054.00 | 666076.00 | 616705.00 | 567821.33 | 676940.00 | 614006.33 | 630438.00 | 663409.67 | 639116.00 | 628497.00 | 757864.00 | 716776.33 | 677005.00 | 687046.00 | 646770.00 | 648225.67 | 691300.33 | 666298.33 | 698823.67 | 634070.33 | 692114.33 | 706255.50 | 739624.00 | 597738.67 | 622021.67 | 589922.00 | 651690.00 | 650703.33 | 561447.67 | 638381.67 | 604460.00 | 550836.00 | 660512.33 | 600490.67 | 561308.33 | 593120.00 | 587649.33 | 637648.33 | 566117.00 | 629082.67 | |
| 8-Oxodeoxycoformycin | 3018461.67 | 2209174.00 | 1973459.67 | 3106453.67 | 2207981.00 | 2306791.67 | 2517124.00 | 2951390.67 | 2267587.67 | 2831727.67 | 3173738.33 | 3123136.00 | 2502795.50 | 2139735.00 | 2115039.67 | 1915761.33 | 2021868.67 | 2517400.33 | 2025398.00 | 2910125.33 | 3239811.33 | 2447663.00 | 2220461.00 | 2431339.67 | 2158865.67 | 2018128.33 | 2624851.33 | 2052746.33 | 2275764.33 | 3194328.33 | 3256449.67 | 2601910.00 | 2457519.33 | 2222477.00 | 2127901.00 | 2096557.67 | 2561348.00 | 2125918.33 | 2107476.67 | 2602528.50 | |
| 9,10-dibromo-stearic acid | 3513921.00 | 3872468.00 | 2826362.33 | 3141239.67 | 3435780.50 | 3285582.00 | 3265405.33 | 3037710.67 | 2956861.33 | 3070791.33 | 1955392.33 | 1974218.00 | 2566805.50 | 2023859.00 | 2618638.33 | 2345637.67 | 2286672.33 | 2981251.33 | 2127891.00 | 1587857.33 | 1926489.67 | 2410320.00 | 2251618.00 | 2201094.33 | 2890351.67 | 2625633.33 | 2933197.67 | 2903916.33 | 2603780.67 | 1762265.00 | 1703442.67 | 1399923.00 | 2054232.33 | 1944742.67 | 1455509.00 | 2044939.33 | 2620063.33 | 1954600.00 | 2364326.00 | 2097331.08 | |
| Adrenochrome o-semiquinone | 2772474.00 | 3210816.50 | 3018051.33 | 2534746.67 | 3039482.00 | 3184663.67 | 2951516.33 | 2919116.67 | 3150469.67 | 2780294.67 | 2920292.67 | 2942670.33 | 4534536.50 | 4506336.50 | 2951954.33 | 2978270.33 | 3272458.00 | 2971706.33 | 3403389.33 | 2329352.00 | 2555499.33 | 3333713.00 | 3948250.00 | 2892555.33 | 3010281.67 | 2932401.33 | 2861643.67 | 3011166.67 | 2852736.67 | 3009751.33 | 2911378.33 | 3685513.00 | 3804558.33 | 3053671.67 | 3071678.00 | 3412005.67 | 3086998.33 | 3477377.33 | 2898214.67 | 3124300.17 | |
| Ala/Ala/Ile/Arg/Arg | 2660947.67 | 2715304.50 | 3011672.33 | 2782209.33 | 3315665.00 | 2953168.00 | 2430119.33 | 2714869.00 | 3062974.67 | 2880399.00 | 1014003.00 | - | 334930.00 | - | 2537059.33 | 2568735.33 | 2610125.33 | 3131921.00 | 1295355.33 | 1628535.00 | 2390672.50 | 1956466.50 | 519098.00 | 2979442.67 | 3471611.33 | 3264374.33 | 2750497.67 | 3087974.33 | 2817546.00 | - | - | - | 2965063.00 | 2438415.67 | 1256384.33 | 688000.00 | 2850265.00 | 831243.00 | 3051668.67 | 1935754.00 | |
| Ala/Cys/Phe/His/Ile | 3049222.67 | 2851162.50 | 2628400.00 | 2836063.00 | 2811485.50 | 2795366.67 | 2725435.33 | 2845676.33 | 2737974.67 | 2858204.67 | 2525985.00 | 2481234.67 | 2225175.00 | 1713339.00 | 2591636.00 | 2550303.00 | 2577463.00 | 2809084.67 | 2481595.67 | 2341367.00 | 2598097.33 | 2510046.50 | 2288002.50 | 2584462.33 | 2708847.67 | 2534934.33 | 2875320.00 | 2715120.33 | 2587818.00 | 2590901.33 | 2308096.67 | 2271103.00 | 2318418.00 | 2648954.67 | 2384672.00 | 2490753.33 | 2690423.00 | 2511833.00 | 2454131.67 | 2781151.67 | |
| Ala/Ile/Ile/Pro/Pro | 4704299.67 | 5248335.00 | 4533767.00 | 5436778.33 | 5271148.50 | 5111077.00 | 4210447.67 | 4682321.33 | 5174533.33 | 4586496.33 | 4661326.33 | 4482560.67 | 4603149.50 | 2621658.00 | 4698462.33 | 4729252.33 | 5421676.67 | 4836617.33 | 4984425.33 | 5114496.00 | 5316421.67 | 4976061.50 | 3832022.50 | 4934984.33 | 5616834.00 | 5189475.67 | 5535812.67 | 5435538.00 | 4494548.33 | 4860793.33 | 4431256.00 | 4376147.00 | 4269391.33 | 4814437.00 | 5099533.00 | 5270952.00 | 5341797.33 | 4809759.67 | 5197839.67 | 4752536.42 | |
| Alanyl-Serine | 994699.33 | 976674.00 | 952369.67 | 933730.67 | 848402.00 | 973215.00 | 891947.33 | 934370.33 | 949550.00 | 992964.67 | 888023.33 | 978983.00 | 946971.50 | 930250.00 | 914774.33 | 907320.33 | 893205.33 | 974126.67 | 911452.00 | 791078.67 | 941275.67 | 948735.50 | 970068.00 | 864262.67 | 896485.33 | 892095.33 | 926154.67 | 953210.33 | 851732.00 | 919431.67 | 913481.67 | 828160.00 | 903884.67 | 851731.33 | 783712.00 | 943919.67 | 969538.67 | 932817.33 | 864213.00 | 1524918.50 | |
| Ala/Thr/Thr/Ala | 816483.33 | 814606.50 | 774660.00 | 893316.33 | 892432.50 | 865887.33 | 715903.33 | 936867.00 | 823980.67 | 795791.33 | 875042.67 | 884121.33 | 731638.00 | 646067.50 | 757611.67 | 771427.33 | 805922.00 | 846307.33 | 794349.33 | 788921.00 | 902337.67 | 836530.00 | 755806.50 | 828026.00 | 848301.67 | 832446.67 | 826190.00 | 820910.33 | 677351.00 | 875166.67 | 868912.67 | 785559.00 | 797004.00 | 845150.33 | 758435.00 | 810988.00 | 747082.00 | 796152.00 | 765968.67 | 811213.08 | |
| Ala/Val/Asp/Ser | 100945.67 | 110528.50 | 102489.33 | 102848.33 | 114728.50 | 108305.33 | 94899.00 | 182012.67 | 102841.33 | 98080.00 | 970757.00 | 1085154.67 | 1005654.50 | 1016671.50 | 99609.67 | 204857.67 | 518006.67 | 106388.00 | 1065675.00 | 485439.00 | 697719.67 | 627316.50 | 1120818.00 | 93755.00 | 111833.00 | 106485.33 | 111871.67 | 136512.67 | 89767.67 | 206830.67 | 235794.67 | 266709.00 | 232486.33 | 101858.33 | 84839.00 | 125265.67 | 104144.00 | 173014.00 | 105511.33 | 244392.67 | |
| Ala/Val/Ser/Ser | 308174.33 | 271924.50 | 292216.67 | 307625.67 | 285709.50 | 312536.00 | 258402.33 | 353010.33 | 291795.00 | 285506.33 | 364162.33 | 439103.33 | 338821.50 | 318396.50 | 264178.33 | 283409.67 | 363301.33 | 296404.00 | 345135.00 | 294625.00 | 315049.67 | 297228.00 | 367898.00 | 287884.33 | 286303.33 | 292553.00 | 320070.00 | 292383.67 | 247743.67 | 386665.67 | 392038.67 | 394183.00 | 344716.67 | 301288.33 | 280855.00 | 298286.33 | 277959.67 | 309477.33 | 287596.00 | 326738.67 | |
| AMAA | 327091.33 | 306903.50 | 285937.33 | 291726.33 | 293562.50 | 300879.00 | 322961.00 | 307492.67 | 303999.00 | 306523.00 | 262749.00 | 302193.67 | 326855.50 | 315345.00 | 340010.00 | 288059.67 | 304923.00 | 313984.67 | 303299.33 | 252302.33 | 266065.33 | 321557.00 | 291974.00 | 294373.33 | 314173.00 | 284119.33 | 303878.67 | 293031.00 | 270975.33 | 281222.00 | 282788.67 | 278910.00 | 297180.33 | 288212.33 | 274253.33 | 288905.33 | 309277.33 | 296075.67 | 281176.33 | 318123.58 | |
| amicoumacin A | 7819303.00 | 7662710.50 | 7524147.33 | 7892824.00 | 7663622.00 | 8134490.67 | 6775786.00 | 6421924.00 | 8056149.67 | 7309227.00 | 5470141.00 | 4680456.67 | 4018392.00 | 1518656.50 | 7206728.00 | 7262973.33 | 6976774.00 | 7531308.33 | 6610691.67 | 7096499.33 | 6832703.67 | 6210988.00 | 3873319.00 | 7464522.33 | 7716271.67 | 7694352.67 | 7934082.00 | 8000897.67 | 6441434.67 | 5196472.67 | 3858181.67 | 3464459.00 | 3933961.00 | 7968475.33 | 6989950.00 | 7062232.00 | 7271727.33 | 6757903.67 | 7331563.00 | 6949302.92 | |
| a phenothiazine | 3981632.67 | 4060064.50 | 3942931.67 | 3725480.00 | 4041281.00 | 3860720.67 | 3814219.33 | 4354138.67 | 3678277.33 | 3944239.00 | 4337624.00 | 4303818.33 | 4378958.50 | 5361875.50 | 3724865.67 | 3710697.00 | 3929910.00 | 3829415.67 | 4020681.33 | 3569495.00 | 3711254.67 | 3973052.00 | 4966900.50 | 3355146.33 | 3648163.33 | 3617948.00 | 4160033.00 | 3915390.00 | 3852105.33 | 4176303.00 | 4292877.00 | 3816387.00 | 4124469.67 | 3585362.00 | 3531664.67 | 3723342.67 | 3770819.67 | 4002105.67 | 3559393.33 | 1309971.67 | |
| arabinonate | 1018894.67 | 1895585.00 | 1759330.33 | 1019944.67 | 2218261.00 | 2366680.33 | 1139589.67 | 1378787.33 | 2230002.33 | 1336172.67 | 1016480.33 | 842310.00 | 2443301.00 | 1678255.00 | 1715601.33 | 1853317.00 | 2237050.67 | 1503557.00 | 2275938.00 | 874047.33 | 912918.67 | 1968233.00 | 2285111.50 | 1904897.00 | 2200085.00 | 2163202.00 | 1693714.33 | 2360758.33 | 1216787.67 | 1029259.67 | 957342.67 | 1581005.00 | 1870322.67 | 2093721.67 | 1987353.67 | 2045552.67 | 1681709.00 | 2095041.00 | 2215218.00 | 3176465.17 | |
| Arg/Leu/Thr/Ser | 1612240.00 | 1347440.50 | 1308907.00 | 1594558.67 | 1410293.50 | 1433129.33 | 1445525.33 | 1861690.33 | 1446579.67 | 1490539.33 | 1873171.33 | 2007200.67 | 1682035.50 | 1476208.50 | 1370004.00 | 1348186.33 | 1414504.00 | 1474092.67 | 1391545.00 | 1520975.67 | 1694959.33 | 1573633.00 | 1558865.50 | 1364638.33 | 1386754.67 | 1379743.33 | 1509033.00 | 1395705.67 | 1307022.00 | 1885799.00 | 1956171.33 | 1733152.00 | 1552350.67 | 1362793.67 | 1330811.67 | 1445217.33 | 1380183.33 | 1463987.00 | 1314257.33 | 1677602.58 | |
| Ascorbalamic acid | 707128.00 | 695758.00 | 612796.00 | 617390.00 | 758090.50 | 658511.67 | 541647.33 | 896811.67 | 555533.67 | 662223.67 | 462577.67 | 585242.33 | 505282.00 | 541614.00 | 444288.67 | 622794.00 | 392614.00 | 601249.00 | 463661.00 | 380057.33 | 594262.33 | 542117.50 | 503239.50 | 443687.33 | 460394.00 | 417499.67 | 619286.67 | 487486.33 | 473353.33 | 550671.00 | 487679.00 | 308032.00 | 425024.67 | 439020.33 | 419592.33 | 363434.67 | 548728.67 | 416034.67 | 493027.67 | 1258116.00 | |
| Ascorbalamic acid_1 | 338401.33 | 316385.50 | 279798.00 | 322507.00 | 315739.00 | 315894.00 | 291726.67 | 416628.00 | 310770.33 | 293433.33 | 319700.67 | 337572.33 | 275470.00 | 312578.00 | 307108.33 | 298013.67 | 294266.00 | 300926.00 | 247343.33 | 285504.00 | 320357.33 | 309825.00 | 279216.50 | 298937.67 | 325745.00 | 277171.00 | 304264.67 | 292006.33 | 243989.33 | 290136.67 | 305913.00 | 290707.00 | 300522.67 | 278732.67 | 233473.67 | 255933.33 | 291161.00 | 256141.33 | 251257.33 | 337728.25 | |
| Aspartyl-L-proline | 1108565.00 | 1398531.00 | 1171245.33 | 1032836.67 | 1293208.00 | 1310858.67 | 1097152.33 | 960498.33 | 1227666.33 | 1078760.00 | 844460.00 | 794926.67 | 865823.50 | 482340.50 | 1174188.00 | 1332170.33 | 1192103.67 | 1165638.00 | 1149517.00 | 870007.33 | 1008944.00 | 1088562.50 | 786221.50 | 1126490.67 | 1396620.67 | 1129309.33 | 1167143.00 | 1241026.67 | 1099780.67 | 932821.67 | 740692.33 | 736659.00 | 746316.67 | 1193724.33 | 1042025.00 | 1165033.33 | 1166335.33 | 1146457.00 | 1092721.67 | 1221277.42 | |
| Asp/Glu/Glu/Thr | 428369.33 | 406126.00 | 425789.67 | 425297.67 | 439198.50 | 441584.00 | 385217.00 | 461600.00 | 416164.00 | 416587.67 | 438676.67 | 461887.33 | 409190.00 | 380512.00 | 395794.33 | 397859.00 | 412185.00 | 406209.00 | 406760.00 | 371469.67 | 421623.33 | 420328.50 | 429893.00 | 394979.33 | 426914.67 | 406198.33 | 440996.00 | 422866.33 | 369478.33 | 456065.33 | 459046.67 | 444705.00 | 432808.00 | 401496.67 | 406302.67 | 403974.00 | 384755.33 | 420936.00 | 398222.67 | 413327.83 | |
| Asp/Leu/Asp/Ser | 2368940.00 | 1909518.50 | 1318249.33 | 1934631.33 | 1067012.50 | 1017372.00 | 2724072.67 | 1383725.00 | 1137062.50 | 2121138.33 | - | - | - | - | 1355402.33 | 868871.33 | 680016.50 | 1906828.33 | 553148.00 | 694094.00 | 1218072.00 | 1073633.00 | - | 1068725.67 | 650638.67 | 649625.33 | 1626973.33 | 869297.33 | 2151295.00 | - | - | - | 1572218.00 | 456553.00 | - | - | 1674540.67 | - | 1132358.33 | 923799.92 | |
| Bis-D-fructose 2^,1:2,1^-dianhydride | 953364.67 | 785079.00 | 708118.00 | 885049.33 | 797103.00 | 858470.67 | 899785.33 | 841213.00 | 872867.33 | 892992.67 | 836109.33 | 814412.00 | 901639.50 | 813137.00 | 806469.67 | 773582.00 | 806158.33 | 905811.67 | 837964.00 | 748585.00 | 861159.33 | 819134.50 | 735416.00 | 850724.33 | 784797.67 | 792134.67 | 813531.33 | 825818.33 | 811233.33 | 857846.67 | 785482.00 | 848764.00 | 960863.67 | 805178.67 | 739477.33 | 811173.00 | 878014.33 | 790668.33 | 849637.33 | 1176711.67 | |
| Butyric acid | 1067207.00 | 1582130.50 | 1428294.67 | 951809.67 | 1622925.00 | 1755303.67 | 1218394.67 | 2299284.67 | 1774803.67 | 1277879.67 | 2341262.67 | 2692766.33 | 3790000.00 | 4059993.00 | 1396526.67 | 1431520.67 | 1979082.67 | 1287208.00 | 2177435.67 | 1285513.67 | 1267238.67 | 1877884.00 | 3111548.00 | 1347066.67 | 1552137.33 | 1453782.67 | 1474637.33 | 1641606.00 | 1316867.67 | 3692541.67 | 3865788.00 | 4930581.00 | 3883327.33 | 1693471.33 | 1868857.00 | 2504456.33 | 1516732.33 | 3145970.00 | 1554385.33 | 2028836.17 | |
| Capric acid | 1061429.67 | 1436415.00 | 1199240.33 | 1748064.67 | 1437502.50 | 1708494.67 | 1034844.33 | 1637181.33 | 1367968.67 | 1720511.67 | 1852958.67 | 2153183.33 | 1795998.00 | 1887651.00 | 1342956.33 | 1195173.67 | 1405116.33 | 1605672.67 | 1494263.67 | 1502233.33 | 1686917.00 | 2040059.50 | 1510908.00 | 1342280.67 | 1510587.33 | 2114215.33 | 1174102.00 | 1549115.00 | 1777037.00 | 1731393.33 | 1757763.00 | 1972999.00 | 1736376.33 | 1344132.00 | 1390319.00 | 1426800.67 | 1472170.00 | 1564765.67 | 1185909.67 | 1114045.75 | |
| CHAPS | 1653067.67 | 1731512.50 | 1674768.33 | 1624899.33 | 1590534.00 | 1671608.33 | 1605443.00 | 1735321.00 | 1705613.33 | 1935167.67 | 2015251.00 | 2003088.33 | 1814230.00 | 1985895.00 | 1759951.67 | 1787366.00 | 1872611.33 | 1792130.67 | 2009113.00 | 1812922.67 | 1842894.00 | 1641404.50 | 1788481.50 | 1844126.33 | 1818657.33 | 1772595.67 | 1790147.67 | 1786434.00 | 1768627.33 | 1994633.33 | 2107767.33 | 1914196.00 | 1784280.00 | 1817039.33 | 1651186.00 | 2022104.67 | 1761819.33 | 1950222.33 | 1669192.33 | 1770041.58 | |
| Cis-zeatin-7-N-glucoside | 449861.00 | 385520.00 | 370024.00 | 451051.67 | 414318.50 | 403098.33 | 388641.67 | 520382.33 | 361427.67 | 507175.00 | 461936.33 | 531878.33 | 397500.00 | 357348.00 | 337684.67 | 405488.67 | 392452.67 | 428664.33 | 353140.33 | 432623.00 | 485504.33 | 417731.00 | 399312.50 | 381325.00 | 448362.00 | 340202.00 | 414524.33 | 390538.67 | 356587.67 | 547883.33 | 466382.33 | 432143.00 | 391897.67 | 428213.00 | 373777.33 | 365352.00 | 360967.33 | 388651.67 | 357175.00 | 955035.25 | |
| coelenterazine v | 69531637.33 | 68602432.00 | 59074417.33 | 67990700.00 | 66655164.00 | 60787333.33 | 70381444.00 | 60166430.67 | 68909886.67 | 68267222.67 | 48248542.67 | 44479474.67 | 44421202.00 | 42278878.00 | 46713622.67 | 45794264.00 | 53890808.00 | 62819285.33 | 54802558.67 | 49084076.00 | 53737466.67 | 55596260.00 | 40826700.00 | 46790705.33 | 42840118.67 | 51170180.00 | 64187277.33 | 62298530.67 | 65701090.67 | 57162977.33 | 53102485.33 | 53064776.00 | 56586380.00 | 63485392.00 | 58947738.67 | 60693886.67 | 65616588.00 | 59775405.33 | 60440006.67 | 56520963.67 | |
| Cys/Cys/His/Lys/Pro | 1342872.00 | 940533.50 | 1105927.67 | 1405205.33 | 995580.00 | 934051.67 | 1433756.33 | 1095906.33 | 1101656.33 | 1263640.00 | 919731.00 | 961598.67 | 634446.50 | 567931.00 | 1077098.00 | 932734.00 | 965531.33 | 1285825.33 | 918488.33 | 1078496.33 | 1114036.67 | 1067016.00 | 578018.00 | 1065377.00 | 995776.67 | 1032118.67 | 1213424.67 | 1004636.33 | 1211454.00 | 994508.33 | 837984.33 | 801594.00 | 829167.67 | 1127444.33 | 963820.67 | 995100.00 | 1230118.67 | 838092.67 | 932444.00 | 1107675.75 | |
| Cys/Cys/Phe/Met/Gln | - | 432342.00 | 351240.00 | - | 854731.00 | 754282.00 | - | - | - | - | 325879.67 | 334935.00 | 344958.50 | 355497.50 | 322385.00 | 323510.67 | 325779.67 | 349277.33 | 339952.00 | 593159.67 | 634500.67 | 669216.00 | 702450.50 | 659953.33 | 734605.67 | 695734.33 | 708214.33 | 698485.67 | - | - | - | - | 331971.00 | - | - | - | - | - | - | 314772.08 | |
| Cys/His/Arg/Ser/Ser | 171598.00 | 198765.50 | 198486.00 | 179980.33 | 185218.50 | 183841.00 | 198582.67 | 190297.00 | 188200.67 | 196927.67 | 198888.00 | 209501.00 | 191470.00 | 189742.50 | 187165.00 | 182711.33 | 183619.00 | 197394.67 | 160603.00 | 155540.00 | 201180.00 | 182882.50 | 169159.50 | 166122.67 | 186743.00 | 168003.00 | 191550.67 | 179993.00 | 164165.00 | 203779.00 | 170815.33 | 202713.00 | 182276.33 | 169729.67 | 168217.00 | 178648.00 | 171007.33 | 172407.33 | 166044.33 | 180957.25 | |
| Cys/Phe/Gly/His/Ile | 5062684.67 | 4476643.00 | 4159089.33 | 4993122.33 | 4085559.00 | 4165407.00 | 4644405.00 | 3377108.33 | 3201443.00 | 4672706.67 | 1548190.67 | 1119434.33 | 1076765.00 | 694918.00 | 3976401.33 | 3756934.00 | 2863962.67 | 4415738.67 | 2343619.00 | 3173139.33 | 2657184.33 | 2964096.00 | 941189.00 | 3666028.33 | 4017951.33 | 3890965.00 | 4278312.00 | 3987457.00 | 4154975.67 | 616446.67 | 570503.33 | 554339.00 | 1867608.67 | 2184668.67 | 1088487.33 | 721825.00 | 4134225.33 | 646329.33 | 3613885.00 | 3079721.17 | |
| Cys/Phe/His/Pro/Pro | 782528.00 | 879506.50 | 733112.33 | 794532.00 | 815339.50 | 827479.67 | 750471.00 | 738782.67 | 860227.33 | 790588.67 | 639216.33 | 642851.67 | 837779.00 | 663115.00 | 602465.33 | 568808.67 | 739272.33 | 715182.67 | 813640.00 | 549271.33 | 611648.00 | 752362.00 | 684175.50 | 670012.67 | 633325.00 | 706984.67 | 835138.33 | 823007.00 | 735070.67 | 666661.33 | 600081.00 | 658745.00 | 705135.33 | 814404.00 | 728430.00 | 767538.67 | 774118.33 | 750091.67 | 731474.67 | 835193.17 | |
| Dehydrorotenone | - | - | - | - | - | - | - | 223592.00 | 268419.00 | - | 239896.00 | 243688.67 | 231557.00 | 225294.50 | - | 105549.00 | 169930.00 | 17149.00 | 181945.00 | 146381.50 | 198731.50 | 148246.00 | 195914.00 | 12028.00 | - | - | 9221.00 | 14153.00 | - | 246595.00 | 215823.67 | 226628.00 | 191959.50 | 191490.33 | 183001.67 | 229866.33 | 117411.67 | 217372.33 | - | 74101.92 | |
| Dibenzo[a,l]pyrene | 1191552.33 | 1136402.00 | 1202594.33 | 1188047.67 | 1144610.50 | 1198552.67 | 1206043.67 | 1171329.00 | 1125769.33 | 1235966.00 | 1089491.67 | 1028469.67 | 872548.50 | 927534.00 | 1057489.33 | 1175097.33 | 1187283.00 | 1195487.00 | 1015367.33 | 1140068.67 | 1152548.33 | 1123978.00 | 1014472.50 | 1101529.67 | 1118157.33 | 1112181.67 | 1147344.67 | 1152114.67 | 1057207.67 | 1103665.00 | 625057.67 | 974595.00 | 1022001.00 | 1160669.00 | 1148133.67 | 1137893.67 | 1004204.67 | 1088724.67 | 1113725.00 | 1118161.75 | |
| Dihydrothymine | 528018.33 | 552270.00 | 505764.67 | 538802.00 | 559807.50 | 543077.00 | 512773.33 | 495897.33 | 568545.67 | 478904.67 | 483403.33 | 468009.33 | 567988.00 | 497714.50 | 496209.67 | 475516.33 | 520522.00 | 499520.67 | 527231.00 | 427949.67 | 469508.33 | 525608.00 | 517673.50 | 530510.33 | 535129.33 | 534945.00 | 559422.00 | 560338.00 | 484994.67 | 468661.00 | 465018.33 | 448489.00 | 508978.00 | 549853.67 | 519044.67 | 507345.67 | 555939.33 | 536526.33 | 545685.67 | 508146.25 | |
| Dodecanoic acid | 825268.67 | 3580206.50 | 945699.67 | 1165532.00 | 1785652.00 | 1355508.67 | 1270553.33 | 1047976.33 | 1313454.00 | 1664593.33 | 1549788.00 | 3065729.00 | 1468948.00 | 1666268.50 | 1548025.67 | 611126.00 | 1199720.00 | 1913316.00 | 1252363.67 | 1066202.33 | 1041475.67 | 1701851.00 | 1074616.00 | 1221658.00 | 1237673.67 | 1891329.33 | 1074460.00 | 1246369.33 | 1135496.67 | 1094859.67 | 1398777.33 | 1598280.00 | 1331400.67 | 1267693.00 | 1324041.00 | 1442298.00 | 1054211.67 | 1523181.67 | 2172662.67 | 1867622.25 | |
| dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose | 3058780.67 | 2668411.50 | 3603013.33 | 3305110.00 | 2229106.50 | 2868098.00 | 3309811.00 | 2579668.33 | 2906870.67 | 3014844.33 | 3063312.00 | 2880781.33 | 2816328.50 | 2524107.00 | 3428529.00 | 2564716.67 | 2831621.00 | 3133454.00 | 2631122.00 | 3048910.67 | 2754121.67 | 2789411.00 | 2427761.00 | 3059731.33 | 3170806.00 | 3141291.33 | 2632096.33 | 3227048.33 | 2972547.67 | 2734483.67 | 2833380.67 | 3073827.00 | 3218351.00 | 2790791.67 | 2442789.67 | 3082707.67 | 2758316.33 | 2582794.00 | 2943532.33 | 803535.33 | |
| erythronate | 7851344.33 | 13039684.00 | 12734164.33 | 7381976.00 | 15388731.00 | 16262663.33 | 9289369.33 | 8895951.00 | 15811894.67 | 8883526.33 | 7183695.33 | 6270392.00 | 15782608.50 | 11705978.50 | 12094767.33 | 12935062.00 | 15043483.33 | 10773240.33 | 15044698.67 | 6634984.33 | 5906295.67 | 13925419.50 | 13478087.50 | 13444832.67 | 15871858.67 | 15350080.33 | 11332215.33 | 15725074.67 | 9656847.00 | 6998852.67 | 6363054.33 | 12018173.00 | 13440182.00 | 15301069.00 | 14383153.33 | 15636216.33 | 12905059.67 | 14781045.67 | 15655869.33 | 22674157.83 | |
| Ethylmethylacetic acid | 904964.00 | 2203656.00 | 2290929.67 | 871661.00 | 2606535.00 | 2452511.33 | 1642280.33 | 5614559.33 | 3152300.67 | 1177747.33 | 5752567.67 | 6022503.00 | 9916956.50 | 11512389.50 | 2164698.33 | 2351051.67 | 3389718.33 | 1728561.33 | 4455111.33 | 1596428.00 | 2022616.33 | 3917448.50 | 7103340.00 | 2021517.67 | 2203533.67 | 2412398.67 | 1669108.00 | 2618704.67 | 1720059.67 | 10479183.67 | 11859385.00 | 15439815.00 | 11420888.33 | 3379576.00 | 4517590.00 | 6472128.33 | 2202941.33 | 8864075.00 | 2504742.33 | 4587410.17 | |
| FA (19:1) | - | - | 17963.00 | - | - | 24586.00 | - | 7348549.00 | 40915.00 | - | 860904.67 | 1694229.33 | 3065834.50 | 5659312.50 | - | 38918.00 | 356111.00 | - | 527140.50 | 212305.50 | 817306.50 | 862902.00 | 2995948.50 | - | 33521.67 | 29109.00 | - | - | - | 785571.33 | 953637.33 | 1042185.00 | 5545299.00 | - | 31720.33 | 81402.00 | - | 361674.67 | 32603.00 | 515839.75 | |
| FA methyl(12:0) dodecanoic acid | 473696.67 | 487259.50 | 463119.00 | 462177.00 | 449214.50 | 439982.00 | 413400.67 | 458216.00 | 462483.00 | 429667.67 | 474931.67 | 418874.00 | 429582.00 | 441457.50 | 446490.67 | 472817.67 | 458130.00 | 431086.00 | 448893.00 | 461689.67 | 429055.67 | 420288.00 | 411353.50 | 430011.00 | 488276.67 | 487408.67 | 433847.00 | 447128.33 | 441680.33 | 467129.33 | 470797.33 | 396867.00 | 427746.33 | 423486.33 | 483170.33 | 429622.67 | 460720.67 | 452650.33 | 440548.00 | 439907.08 | |
| FA methyl(16:1) | 24778.50 | 32919.00 | 30237.50 | 45973.00 | 66957.00 | 33009.00 | 31658.50 | 1370053.67 | 59718.00 | - | 419462.33 | 882619.00 | 1522302.00 | 2518138.50 | 53904.00 | 30343.50 | 112755.00 | 31654.50 | 248680.67 | 113330.00 | 521618.00 | 211646.00 | 1698744.50 | 23802.00 | 48093.33 | 49901.00 | 20440.00 | 30594.00 | 28430.00 | 341128.67 | 489320.33 | 451142.00 | 2776385.00 | - | 36649.00 | 52333.67 | - | 178471.67 | 39353.67 | 283640.33 | |
| Floxuridine | 80790.00 | 73738.50 | 75820.33 | 74955.33 | 70583.50 | 73912.67 | 70635.33 | 87636.00 | 79509.00 | 69419.67 | 92801.67 | 92854.33 | 82278.00 | 73867.00 | 68750.33 | 70909.00 | 74073.33 | 70860.33 | 69576.67 | 80588.67 | 84338.67 | 78998.00 | 73287.50 | 76565.67 | 72193.33 | 77872.67 | 72407.00 | 79415.00 | 56808.33 | 83254.33 | 86364.67 | 95651.00 | 90300.33 | 71380.00 | 63949.00 | 81842.33 | 80151.67 | 81677.33 | 73053.00 | 115260.42 | |
| Flurbiprofen | 1864712.67 | 2090083.00 | 1886839.33 | 1917505.67 | 2329530.00 | 2387880.67 | 1769770.33 | 2172312.67 | 2254631.33 | 1931704.33 | 1876030.33 | 1877600.33 | 2287487.50 | 1808975.00 | 1991294.00 | 1826634.00 | 2232243.00 | 1836568.33 | 2100464.33 | 1727619.33 | 2043057.00 | 2133134.00 | 1924843.00 | 2157853.33 | 2173323.00 | 2008238.67 | 2113986.67 | 2135723.67 | 1714676.67 | 1918748.67 | 1715605.00 | 1677422.00 | 2022369.67 | 2197587.00 | 1633413.67 | 1974838.33 | 2059765.33 | 1953223.67 | 2159238.33 | 1362920.42 | |
| Fructose | 4068528.67 | 3704434.50 | 3218135.33 | 3920484.67 | 3858077.00 | 4258870.00 | 3814696.00 | 3246026.67 | 4282715.00 | 3806603.33 | 3428444.00 | 3617053.00 | 4749377.50 | 3517617.00 | 3219720.00 | 3135883.67 | 4082950.33 | 3565534.00 | 3637104.00 | 3424675.00 | 3703316.00 | 3988934.50 | 3545338.50 | 3973436.00 | 3945184.00 | 3530674.67 | 3850827.00 | 3736541.33 | 3526481.67 | 3533021.67 | 3475079.67 | 2832822.00 | 3598119.67 | 4069152.33 | 3637266.67 | 3835150.67 | 4010692.67 | 3651217.67 | 3606827.00 | 8110847.00 | |
| furaneol glucopyranoside | 1906820.67 | 509028.50 | 472044.67 | 2252080.33 | 417649.50 | 384951.33 | 1094383.33 | 1781178.33 | 379891.67 | 1703177.33 | 2679220.67 | 2853792.33 | 635814.00 | 466110.50 | 601817.00 | 451088.67 | 380097.00 | 1185789.33 | 352368.67 | 2616240.00 | 2868396.33 | 700287.50 | 378131.50 | 848668.00 | 394676.67 | 354100.00 | 1309240.67 | 365938.67 | 963430.67 | 2753645.33 | 2722034.67 | 690395.00 | 828808.67 | 465841.00 | 356752.00 | 382719.67 | 690921.67 | 399181.67 | 371300.33 | 884550.42 | |
| gamma-Glutamylvaline | 8557470.33 | 7104159.00 | 8144136.67 | 8769997.67 | 8426117.50 | 8380976.00 | 8724894.33 | 8558985.33 | 9274324.00 | 8690253.00 | 9614626.33 | 9551551.33 | 10138252.00 | 8258789.50 | 9009147.67 | 7813283.33 | 8762219.33 | 9175650.67 | 9003453.67 | 7527729.67 | 8404690.67 | 9182565.00 | 7838610.00 | 8913573.00 | 9179307.33 | 8159249.67 | 8332642.33 | 9687203.67 | 7856981.00 | 8890148.67 | 9586400.00 | 10189975.00 | 9842291.67 | 8891545.00 | 7038189.67 | 8893449.33 | 8616587.00 | 8094413.67 | 7772383.33 | 23712851.42 | |
| Garcinia acid | 101307.00 | - | 41279.00 | 61440.00 | - | 46496.00 | - | 82457.00 | - | 41402.00 | 80037.00 | 41352.00 | 66612.00 | 42518.00 | 517231.00 | 76350.00 | 59530.00 | 137873.00 | 77630.50 | 62189.00 | 44627.67 | 100477.00 | 59905.50 | 310699.00 | 101365.00 | - | 174190.33 | 40498.00 | - | 36662.50 | - | - | 63098.00 | - | - | 47119.50 | - | 65932.50 | - | 56904.40 | |
| Gentisate aldehyde | 592769.00 | 1156227.50 | 882909.00 | 625872.00 | 1173090.50 | 1311266.00 | 796250.67 | 1195600.67 | 1350187.00 | 785976.33 | 1136965.33 | 1006984.67 | 2673513.50 | 2655160.50 | 1812458.33 | 1177818.67 | 1662894.00 | 3075662.00 | 2008137.67 | 877876.33 | 658609.67 | 1780168.50 | 2998208.00 | 2280782.00 | 1177842.00 | 888749.00 | 2575866.67 | 1311813.33 | 751888.33 | 934848.00 | 961155.00 | 1923549.00 | 2590817.33 | 3831433.67 | 1542927.67 | 1623798.67 | 4526506.00 | 2037572.67 | 1101286.33 | 1480724.33 | |
| Gingerdiol 4^-O-beta-D-glucopyranoside | 3493900.67 | 4088365.00 | 3866000.33 | 4104153.67 | 4010239.00 | 4247643.67 | 3318660.33 | 4459130.67 | 3731641.33 | 3400476.00 | 5246583.67 | 5464409.67 | 3903211.50 | 3243493.00 | 3557664.33 | 3962088.67 | 3763048.00 | 3997790.33 | 4699820.00 | 3986701.33 | 4365051.67 | 4320808.00 | 4422552.00 | 3690998.33 | 4032419.00 | 3973423.00 | 4251706.67 | 4145978.67 | 3352591.00 | 5042127.33 | 5644521.67 | 5187871.00 | 4154526.00 | 3631040.33 | 3927533.00 | 4450014.33 | 4180369.67 | 3965027.33 | 3640506.00 | 3970884.58 | |
| glorin | 5133490.33 | 6271564.50 | 6453031.00 | 7461900.00 | 6240843.00 | 7497499.33 | 5742557.00 | 5031319.33 | 6653819.33 | 6391720.00 | 2649202.33 | 2799343.00 | 3739654.00 | 2898448.00 | 4582969.00 | 5971738.00 | 6457778.33 | 5244914.00 | 5372801.33 | 4223754.67 | 4028639.33 | 6367213.00 | 3103215.00 | 6665342.33 | 7579782.67 | 6561100.00 | 7270847.00 | 7162358.33 | 6012102.67 | 2769006.00 | 2338134.67 | 2748457.00 | 3648562.00 | 6210656.33 | 4532090.00 | 3544122.67 | 6835593.33 | 3134487.00 | 8189651.00 | 5281306.83 | |
| Glu/Ala/Thr | - | - | - | - | - | - | - | 1036181.00 | 67423.00 | - | 1033415.33 | 1333690.67 | 1370498.00 | 2155589.50 | 25294.00 | 162045.00 | 431557.50 | 23019.00 | 804715.00 | 630167.50 | 1140865.00 | 335843.00 | 1846597.00 | 18994.00 | - | - | 27626.00 | 97373.00 | - | 375666.67 | 482360.33 | 384016.00 | 467176.00 | 40634.33 | 80719.67 | 180056.00 | - | 355087.33 | - | 294896.17 | |
| Glu/Arg/Glu | 158655.33 | 170667.00 | 178866.67 | 181776.33 | 205297.00 | 198590.67 | 154228.00 | 171798.00 | 155249.67 | 176619.00 | 98875.00 | 93720.33 | 46314.00 | 41393.00 | 174142.33 | 162450.67 | 174291.33 | 171708.33 | 134328.00 | 157670.33 | 144198.67 | 136697.00 | 82288.50 | 185665.33 | 196046.33 | 184807.00 | 186389.33 | 195094.33 | 151595.67 | 45728.00 | 74648.00 | 77097.00 | 107176.67 | 134315.67 | 68923.33 | 47003.67 | 165999.00 | 47692.67 | 179577.67 | 135904.17 | |
| Gluconic acid | 1649206.00 | 3206319.50 | 2661061.67 | 1415963.00 | 3347862.00 | 3510712.33 | 1920466.33 | 1746855.00 | 3344493.67 | 1877077.67 | 1216604.00 | 961833.67 | 3122900.50 | 2761085.50 | 2174805.00 | 2783472.00 | 2833222.33 | 2104110.00 | 2849384.00 | 1010645.67 | 1141241.33 | 2640979.00 | 3005688.00 | 2389169.67 | 3160219.67 | 2997961.33 | 2375038.00 | 3057898.33 | 1928213.67 | 1434131.00 | 1075759.00 | 1369306.00 | 2303345.00 | 2877240.33 | 2773654.00 | 2678355.33 | 2529893.67 | 3019494.33 | 2902128.67 | 5470595.75 | |
| Glu/Glu/Gln/Phe | 416176.00 | 409500.50 | 380112.00 | 370482.67 | 383269.50 | 379704.33 | 412279.33 | 485497.67 | 377285.33 | 379793.67 | 398743.00 | 432575.00 | 363221.50 | 354855.50 | 362271.67 | 353469.33 | 336417.33 | 400547.33 | 333053.67 | 339492.33 | 362446.67 | 327711.50 | 318774.50 | 351950.67 | 349676.00 | 364428.00 | 370134.67 | 360084.67 | 350634.33 | 442210.67 | 445583.00 | 475883.00 | 445399.00 | 378669.67 | 318836.33 | 339324.67 | 397134.67 | 391097.67 | 368376.33 | 445285.50 | |
| Glu/Glu/Glu/Glu | - | - | - | - | - | - | - | 40536.00 | 484529.00 | 10491.00 | 62775.33 | 49406.00 | 68236.00 | 10873.00 | 13256.00 | 70876.00 | 110984.00 | 42517.67 | 133013.67 | 117260.50 | 75917.50 | 29941.00 | 28156.00 | 24099.00 | - | - | 43718.67 | 56625.00 | - | 263939.67 | 158901.00 | 113957.00 | 45969.00 | 499611.00 | 567287.67 | 570744.67 | 227170.67 | 517672.33 | 24532.67 | 104085.33 | |
| Glu/Pro/Tyr | 6659840.33 | 5801916.00 | 5128284.33 | 5942937.67 | 4847792.50 | 5640130.67 | 6274586.00 | 4551094.33 | 5007368.00 | 6199986.00 | 3104005.33 | 2884043.67 | 1958560.00 | 957562.00 | 5013936.00 | 5067611.00 | 4336338.67 | 5831462.67 | 3175118.00 | 3912360.33 | 4819829.67 | 4488526.00 | 1891149.00 | 5088870.67 | 4821187.33 | 4820471.00 | 5710835.67 | 5111855.33 | 6235870.00 | 3346955.33 | 2679774.00 | 2332544.00 | 2890921.67 | 5007167.00 | 4191921.67 | 4274558.00 | 5506391.33 | 3713353.00 | 4671325.33 | 4602424.33 | |
| Glu/Ser/Val | 3028236.00 | 3144000.50 | 2801928.00 | 3012798.67 | 2940787.00 | 3255516.33 | 2801829.00 | 3090297.67 | 2981086.33 | 2814003.33 | 3024208.00 | 2989608.00 | 3310570.50 | 2715036.00 | 2705847.33 | 2614266.67 | 2794312.00 | 2982428.00 | 2749309.00 | 2734987.67 | 3147790.00 | 3136903.50 | 2956178.00 | 2759301.00 | 3150910.00 | 2883894.67 | 2895888.33 | 2918691.33 | 2601781.00 | 2811244.00 | 2923940.67 | 3050554.00 | 3003936.67 | 2787539.67 | 2653433.00 | 2852373.00 | 2908711.67 | 2768697.67 | 2886245.33 | 6704066.42 | |
| Glutamylalanine | 189887.33 | 645083.50 | 835100.00 | 110372.00 | - | - | 321402.00 | 350367.00 | 624398.00 | 217043.67 | 165454.00 | 122512.50 | 792754.00 | 695624.50 | 599007.50 | 686449.33 | 812106.50 | 431901.33 | 756684.00 | 197727.00 | 115978.67 | 748155.50 | 895944.00 | 428912.00 | 882209.50 | 628227.33 | 389823.33 | 861426.33 | 351933.00 | 215033.00 | 89133.00 | - | 657175.00 | 708923.00 | 748352.50 | 854325.50 | 430423.67 | 810413.50 | 764696.00 | 661838.44 | |
| Glutamyllysine | 257471.67 | 231987.00 | 223557.67 | 230707.00 | 230212.50 | 233524.33 | 226664.00 | 311313.33 | 277845.33 | 233379.67 | 391765.00 | 385494.00 | 413920.50 | 462735.50 | 224875.67 | 233653.00 | 285011.00 | 236679.67 | 297889.00 | 242930.33 | 286716.67 | 290724.00 | 370334.00 | 217180.00 | 233827.00 | 226974.67 | 234169.33 | 232248.00 | 209277.00 | 402882.33 | 403800.00 | 377401.00 | 361936.33 | 280629.67 | 322503.00 | 378656.33 | 237865.00 | 378876.67 | 221422.00 | 292232.33 | |
| Glu/Thr/Ala/Asp | 88869.33 | 89408.00 | 77793.33 | 79745.67 | 80551.50 | 79991.33 | 92484.00 | 86230.33 | 82579.00 | 84277.33 | 94930.67 | 94894.00 | 93451.00 | 91756.50 | 73905.67 | 80510.00 | 75975.67 | 85636.00 | 80718.33 | 82835.33 | 88790.33 | 89103.50 | 90398.00 | 76912.67 | 91783.67 | 82285.33 | 81026.67 | 82723.67 | 78882.00 | 88933.00 | 86933.00 | 86488.00 | 80029.33 | 82138.33 | 79771.33 | 74141.67 | 80188.33 | 90214.67 | 67129.67 | 86530.58 | |
| Glycerol | 836937.67 | 1211197.50 | 1111733.00 | 1152836.00 | 1080260.50 | 1145576.00 | 945585.67 | 1108707.00 | 857763.67 | 8016254.33 | 752368.67 | 753648.67 | 713006.50 | 714834.50 | 1282984.00 | 883239.67 | 582472.67 | 3432078.67 | 482803.00 | 654520.00 | 558260.67 | 1050927.50 | 556110.50 | 2171191.00 | 1158951.33 | 1075147.00 | 3598763.67 | 852216.67 | 8117975.67 | 624358.33 | 731240.33 | 834978.00 | 1585461.67 | 279389.00 | 654857.00 | 609143.00 | 1949577.67 | 594599.33 | 758655.33 | 1489975.58 | |
| Hydroxypyruvic acid | 275626.00 | 668574.00 | 622105.33 | 295215.00 | 741955.50 | 795417.00 | 351314.67 | 519670.00 | 1051868.33 | 374955.33 | 792042.67 | 657741.67 | 1517930.50 | 1060399.00 | 673966.67 | 853443.00 | 1235405.00 | 525105.67 | 1586668.33 | 521490.67 | 520111.00 | 873009.00 | 1118164.00 | 680632.33 | 866750.33 | 829768.00 | 583705.00 | 894476.00 | 428242.33 | 783606.67 | 601695.67 | 1050067.00 | 955601.00 | 1349398.67 | 1296210.67 | 1391361.33 | 666000.00 | 1278288.33 | 850362.33 | 935572.83 | |
| Ile/Arg/Thr/Thr/Val | 4070112.00 | 3513289.50 | 3609350.33 | 4303443.00 | 3866835.00 | 3956095.67 | 3429283.33 | 3749871.00 | 3971271.33 | 3933920.67 | 3140830.33 | 2670073.67 | 2473318.50 | 1530701.50 | 3493006.33 | 3472240.00 | 3672799.67 | 3823390.33 | 3320576.33 | 3821655.67 | 4006602.67 | 3351638.50 | 2609713.00 | 3792926.33 | 3968724.33 | 3650980.33 | 4143836.00 | 3894990.33 | 3326490.00 | 3447972.00 | 3018430.67 | 2525291.00 | 2914438.00 | 3866143.00 | 3526910.00 | 3563781.00 | 3707279.67 | 3484257.67 | 3669516.67 | 3462069.67 | |
| Ile/Cys/Ser | 1041802.33 | 3368630.00 | 3130245.33 | 1034044.33 | 3484894.50 | 3717493.33 | 1675848.67 | 1603843.67 | 3804736.67 | 1477296.33 | 758696.00 | 509855.33 | 3932093.50 | 3104388.50 | 2953675.67 | 2941810.67 | 3557320.33 | 2222757.00 | 3549093.00 | 811865.33 | 509180.00 | 3490377.50 | 3689180.50 | 2829601.00 | 3735157.00 | 3690394.00 | 2330176.67 | 3786332.67 | 1916431.00 | 817759.00 | 568050.33 | 2487682.00 | 3084210.00 | 3448178.33 | 3545956.67 | 3426715.67 | 2678873.33 | 3590363.33 | 3431377.00 | 2909407.00 | |
| Ile/Glu/Glu/Glu | 200045.33 | 197943.50 | 201318.33 | 219774.00 | 191716.50 | 187659.67 | 189446.67 | 282823.33 | 221035.67 | 228492.67 | 307469.67 | 332089.67 | 354374.50 | 335001.00 | 213825.67 | 195474.33 | 232679.33 | 212142.67 | 226616.33 | 234768.67 | 280388.00 | 286186.00 | 351112.50 | 182152.33 | 225324.67 | 193733.67 | 200795.33 | 221641.33 | 173746.67 | 392752.33 | 423387.67 | 378807.00 | 358231.00 | 203723.67 | 267432.00 | 327348.33 | 191428.00 | 327576.00 | 179364.00 | 256592.50 | |
| Ile/Ile/Asn/Pro/Pro | 1348030.67 | 814329.00 | 1037048.00 | 1159507.33 | 1222439.50 | 1012920.33 | 1223554.33 | 1838508.00 | 1312811.00 | 1081308.67 | 2095668.00 | 2515062.00 | 1677543.50 | 1802303.00 | 1181051.00 | 1361964.67 | 1454708.00 | 1032129.67 | 1558041.67 | 1840638.00 | 1804126.67 | 2001700.50 | 1793386.50 | 1094213.00 | 1220089.33 | 1334480.67 | 1257631.50 | 1350017.67 | 1108860.00 | 2576623.33 | 2594872.67 | 2128742.00 | 1707208.00 | 1231285.33 | 1414587.00 | 1738267.33 | 1003836.00 | 1965704.33 | 1206641.00 | 1454135.33 | |
| Ile/Ile/Ile/Ile/Pro | 769364.33 | 730055.00 | 771472.67 | 766795.67 | 615679.00 | 820851.00 | 821481.33 | 892536.33 | 781906.33 | 748987.00 | 973904.33 | 999014.00 | 1228924.00 | 1134830.00 | 796235.67 | 704068.67 | 715470.00 | 758402.33 | 834039.00 | 707902.33 | 745436.00 | 873186.00 | 988429.50 | 665548.00 | 827039.00 | 783551.00 | 664102.00 | 699284.00 | 794061.33 | 996193.33 | 1016172.33 | 1200849.00 | 1084581.67 | 710254.67 | 609310.67 | 863898.67 | 717757.33 | 743934.00 | 724138.00 | 532176.00 | |
| Ile/Ile/Ile/Ile/Ser | 946885.00 | 841999.00 | 912987.67 | 872581.33 | 862661.50 | 908100.33 | 953728.00 | 876123.00 | 860604.33 | 902944.00 | 735425.33 | 787097.67 | 719935.50 | 670750.00 | 892983.33 | 940539.00 | 868101.00 | 914912.67 | 808764.00 | 784095.00 | 918002.33 | 778676.00 | 634373.50 | 842137.00 | 940939.67 | 827462.00 | 847112.00 | 937999.33 | 886782.33 | 913279.33 | 949934.33 | 932841.00 | 917095.00 | 864239.67 | 918508.00 | 791147.00 | 871570.33 | 886463.67 | 880872.33 | 860235.42 | |
| Ile/Lys/Thr | 6030399.67 | 4958108.00 | 4643515.33 | 5905717.33 | 5045087.50 | 5168036.33 | 5253460.00 | 5165903.33 | 5212488.67 | 5720851.00 | 4673648.00 | 4351322.67 | 3491722.00 | 2533965.00 | 4479430.33 | 4573511.67 | 4578060.67 | 5392406.33 | 4298450.67 | 4884637.00 | 5057133.67 | 4659131.00 | 3658777.00 | 4574180.33 | 4796646.33 | 4696382.33 | 5311756.67 | 4832847.00 | 4944970.00 | 5208958.33 | 4845000.33 | 4200443.00 | 4208560.67 | 4896999.33 | 4489593.67 | 4800578.00 | 5137583.00 | 4462129.00 | 4708599.00 | 5079334.75 | |
| Isoleucyl-Tyrosine | 287853802.67 | 257212752.00 | 246660373.33 | 299401952.00 | 245225992.00 | 246438570.67 | 265828352.00 | 191698668.00 | 247131498.67 | 258501776.00 | 162201282.67 | 131242088.00 | 98246350.00 | 35270448.00 | 251462741.33 | 240835082.67 | 221309829.33 | 276054176.00 | 181484224.00 | 240116485.33 | 238663754.67 | 157911404.00 | 105487042.00 | 229611296.00 | 235717488.00 | 255772986.67 | 258969765.33 | 246104149.33 | 258696122.67 | 153193194.67 | 107619776.00 | 93227808.00 | 109348210.00 | 250177322.67 | 230380714.67 | 231536848.00 | 253971088.00 | 196201429.33 | 227041978.67 | 219417077.33 | |
| Isovaleric acid | 7882423.33 | 21365717.00 | 18346565.33 | 7620822.67 | 19917691.00 | 25008238.00 | 14779862.67 | 72099256.33 | 32884210.00 | 10848893.67 | 64318573.33 | 69851330.67 | 136688616.00 | 138566408.00 | 19327576.00 | 22696268.67 | 32879227.33 | 18051591.00 | 49420714.67 | 17061276.33 | 19245050.33 | 37527887.00 | 84497088.00 | 21242809.33 | 21557053.67 | 24803356.00 | 15058684.00 | 26374134.67 | 16522814.33 | 131663672.00 | 146305360.00 | 180774112.00 | 158569678.00 | 31063002.67 | 43175925.33 | 78855541.33 | 20596483.00 | 105160842.67 | 26100690.67 | 49767065.67 | |
| Leu/Thr/Arg | 1914513.00 | 1778686.50 | 1748242.33 | 1875047.33 | 1819025.50 | 1855026.67 | 1890723.67 | 1672487.00 | 1865442.00 | 1787143.33 | 1733250.00 | 1711393.33 | 1420127.50 | 983506.00 | 1691101.33 | 1690328.67 | 1659906.00 | 1773838.67 | 1721751.67 | 1575514.00 | 1762193.33 | 1676226.00 | 1507129.50 | 1742683.67 | 1674830.33 | 1727180.67 | 1826817.67 | 1745285.67 | 1699522.00 | 1748383.00 | 1546425.33 | 1512280.00 | 1369145.67 | 1832036.33 | 1594864.67 | 1697955.67 | 1735853.00 | 1711803.33 | 1594364.67 | 1707377.67 | |
| Lys/Lys/Val | 819200.00 | 770143.50 | 706447.00 | 805284.00 | 753363.50 | 782651.67 | 773793.00 | 712554.00 | 771434.33 | 796326.67 | 577297.33 | 533070.33 | 464655.50 | 333469.00 | 720109.67 | 695647.00 | 665346.67 | 778824.00 | 634329.00 | 668563.67 | 675523.33 | 624674.00 | 522487.50 | 706774.67 | 741672.00 | 705475.67 | 783097.33 | 764444.00 | 675944.33 | 650577.67 | 561175.33 | 469187.00 | 538413.67 | 718168.00 | 671101.33 | 710848.33 | 749758.33 | 664050.00 | 699125.00 | 666172.42 | |
| Lys/Val/Ser | 4611656.33 | 3974994.00 | 3646341.33 | 4461235.33 | 3847141.50 | 3993372.67 | 4002333.67 | 4355418.67 | 4048727.00 | 4155828.33 | 3979169.67 | 3829559.00 | 3208144.00 | 2750460.50 | 3708995.33 | 3764028.33 | 3623398.67 | 4143557.00 | 3709218.00 | 3963781.33 | 4124105.00 | 3685404.50 | 3241722.00 | 3886164.00 | 3661165.67 | 3824514.33 | 3966516.00 | 3827098.33 | 3718009.00 | 4035568.33 | 3980582.33 | 3664584.00 | 3572997.67 | 3742821.33 | 3358203.00 | 3479521.00 | 3843600.67 | 3517731.00 | 3615783.33 | 8146229.50 | |
| Maltoundecaose | 142454.00 | 150825.50 | 126946.67 | 138721.67 | 135740.00 | 155249.33 | 136111.33 | 121943.33 | 137234.67 | 148572.33 | 82824.67 | 94764.33 | 69595.00 | 67402.50 | 131749.00 | 140231.00 | 135600.67 | 138413.33 | 114485.33 | 124916.33 | 101225.67 | 102613.00 | 107157.50 | 127918.33 | 133259.00 | 127933.33 | 131424.67 | 145270.00 | 132121.00 | 122349.67 | 106236.67 | 86198.00 | 93750.67 | 122127.33 | 131517.67 | 127237.67 | 142169.67 | 121636.00 | 126499.00 | 129876.17 | |
| Mesylate | 1059259.67 | 2893533.50 | 3029948.67 | 1227291.00 | 3690188.50 | 3998463.67 | 1367683.00 | 2010136.33 | 3498304.67 | 1343386.67 | 1279638.33 | 1023800.00 | 4998657.50 | 2783629.50 | 2780509.67 | 2828819.00 | 3862248.67 | 2138097.67 | 3757070.00 | 1200432.33 | 978689.67 | 3620560.50 | 3527058.00 | 3266155.33 | 4016583.00 | 4002796.33 | 2530244.00 | 3837367.67 | 1624994.67 | 1382355.67 | 1043093.67 | 2121897.00 | 3036856.00 | 3255329.67 | 3081057.33 | 3476779.33 | 2466607.33 | 3522906.33 | 3949039.33 | 3432699.92 | |
| methyl diphosphate | 5034730.67 | 4584056.00 | 4967085.33 | 4892656.67 | 4531286.50 | 4670885.33 | 5032859.33 | 4358744.67 | 4906666.33 | 4844269.00 | 4664515.33 | 4652023.33 | 4707799.50 | 4713942.50 | 4895178.67 | 4511546.00 | 4441322.33 | 4635478.67 | 4597440.33 | 4224153.00 | 4375098.67 | 4553865.50 | 4457773.00 | 4319231.00 | 4763379.33 | 4671470.33 | 4814909.33 | 4626538.67 | 4788756.00 | 4295728.00 | 4031845.00 | 4310833.00 | 4392816.67 | 4514349.00 | 4308236.67 | 4636441.00 | 4615879.33 | 4423473.67 | 4495079.00 | 153081.33 | |
| myo-Inositol | 640480.00 | 614140.50 | 574239.33 | 591066.67 | 566414.50 | 562989.67 | 669548.33 | 607530.00 | 624336.33 | 626822.33 | 627804.67 | 626462.33 | 603150.50 | 631711.00 | 565810.33 | 564711.00 | 561540.00 | 606558.67 | 590279.33 | 520093.33 | 571279.33 | 564384.00 | 558300.00 | 538204.33 | 574434.67 | 516102.33 | 582382.67 | 543587.67 | 601680.00 | 633230.33 | 614237.33 | 603322.00 | 620635.67 | 609634.33 | 587514.33 | 611195.67 | 591013.00 | 613685.33 | 546243.33 | 581051.42 | |
| Myristic acid | 3599597.00 | 7417846.00 | 2988653.67 | 4175418.33 | 7802856.50 | 5321211.67 | 2931516.33 | 5387649.67 | 6301070.33 | 5335820.67 | 5370947.33 | 13235842.67 | 5155190.50 | 4732159.50 | 7769255.67 | 4335353.33 | 7710898.67 | 7721123.00 | 4456384.00 | 7553191.67 | 5653972.00 | 9594453.00 | 9693322.00 | 3841827.33 | 5610235.67 | 5840166.33 | 6111623.00 | 5479616.67 | 5639659.00 | 8790404.67 | 8838410.67 | 6090047.00 | 6550035.33 | 4076544.67 | 3922241.67 | 8835317.33 | 4190959.67 | 3146058.00 | 2276587.67 | 6127236.67 | |
| N1-Methyl-2-pyridone-5-carboxamide | 925767.67 | 1396449.50 | 1288465.33 | 1190074.67 | 855343.00 | 1426335.67 | 1075025.33 | 1799136.67 | 1229849.67 | 1165842.00 | 1179002.67 | 944696.33 | 1126970.00 | 1292866.50 | 1366293.33 | 1310067.67 | 1597466.33 | 1429415.33 | 1509639.00 | 1231895.33 | 793262.00 | 1285773.00 | 1005132.50 | 1023020.00 | 2093457.00 | 1907943.33 | 1202887.00 | 1493921.33 | 1018299.33 | 1564264.00 | 1129264.00 | 1699170.00 | 1522435.00 | 1010847.00 | 1530027.00 | 1136817.67 | 856824.67 | 1258533.00 | 1299955.67 | 1209051.92 | |
| N-Acetylglucosamine 6-phosphate | 1381815.33 | 1347118.00 | 1188077.00 | 1184899.00 | 1275971.50 | 1273582.00 | 1220239.33 | 1375802.00 | 1158503.00 | 1243527.33 | 1210971.00 | 1173796.00 | 1253557.00 | 1243091.00 | 1146674.67 | 1161464.67 | 1189385.33 | 1164108.00 | 1134658.67 | 911002.67 | 1095814.67 | 1253785.00 | 1188951.00 | 1073109.33 | 1142448.33 | 1193898.00 | 1323403.33 | 1142374.67 | 1064675.33 | 1141282.33 | 1139682.67 | 1047084.00 | 1197159.00 | 1234317.00 | 1155880.00 | 1113602.67 | 1259502.33 | 1182107.33 | 1138274.00 | 1928773.17 | |
| N-Acetylglutamic acid | 410752.67 | 437762.00 | 445273.33 | 407534.00 | 626347.50 | 721768.33 | 362984.33 | 937832.67 | 718015.00 | 502452.00 | 1315895.00 | 1416652.33 | 1465652.50 | 1479270.50 | 418433.33 | 627171.33 | 1015276.67 | 508369.00 | 1170343.00 | 765845.67 | 1114010.67 | 1315765.00 | 1745061.00 | 548824.00 | 614255.00 | 546136.33 | 515955.00 | 587823.33 | 358123.00 | 1039326.00 | 873470.00 | 906075.00 | 907956.33 | 892973.33 | 983959.33 | 832059.00 | 478446.00 | 953069.00 | 563057.67 | 4618192.50 | |
| Neryl rhamnosyl-glucoside | 773036.33 | 689904.50 | 679129.67 | 757287.33 | 765746.00 | 793549.00 | 784340.00 | 819045.33 | 828974.33 | 738794.00 | 954744.67 | 960452.33 | 1062652.50 | 747809.50 | 672456.33 | 597017.67 | 754691.67 | 803333.33 | 863373.00 | 736765.67 | 851130.67 | 845064.00 | 850381.00 | 698960.00 | 723306.00 | 779319.33 | 725135.67 | 720013.33 | 642375.00 | 994685.67 | 940357.67 | 1019712.00 | 853067.67 | 765307.67 | 662860.33 | 824972.00 | 760526.00 | 800017.33 | 703909.33 | 1708184.33 | |
| N-Formimino-L-aspartate | 1284974.67 | 1102868.00 | 1112714.67 | 1115049.33 | 1388065.00 | 1220028.67 | 962365.67 | 1413273.33 | 1185053.00 | 1084139.00 | 1098608.00 | 1151744.67 | 980953.00 | 955574.50 | 1055266.00 | 1164724.00 | 1074465.33 | 1131648.00 | 1111054.00 | 1097571.67 | 1227568.00 | 1071075.00 | 1126119.00 | 1111757.00 | 1094616.67 | 1070533.00 | 1139571.33 | 1133380.67 | 1018979.33 | 1219112.67 | 1102942.33 | 1063785.00 | 1042931.67 | 1075288.00 | 1023317.67 | 957601.33 | 1187006.67 | 1065112.33 | 1098419.67 | 1969178.25 | |
| N-Formimino-L-aspartate_1 | 1070456.00 | 880598.00 | 898626.00 | 1155016.33 | 947669.50 | 972025.33 | 949742.67 | 1105858.00 | 988119.67 | 979039.33 | 1042680.33 | 1121626.33 | 958611.00 | 868425.50 | 854091.67 | 840987.00 | 864198.33 | 1000613.00 | 931065.00 | 1087328.00 | 1140863.33 | 1023595.00 | 1009648.50 | 943528.33 | 959002.67 | 961723.00 | 953446.33 | 912970.00 | 831213.00 | 1101319.00 | 1053466.00 | 987295.00 | 935660.67 | 921568.00 | 843222.33 | 986617.33 | 888036.00 | 863031.33 | 896817.33 | 1659561.92 | |
| N-Formyl-L-aspartate | 423916.33 | 966349.50 | 922635.67 | 388183.67 | 1094218.00 | 1161128.33 | 514245.33 | 591618.33 | 1093737.33 | 510868.00 | 360924.00 | 272770.67 | 1124848.00 | 869723.00 | 877052.33 | 862294.00 | 1019001.67 | 658339.00 | 1003497.00 | 326409.67 | 280647.33 | 916748.00 | 972512.00 | 883841.67 | 1084046.33 | 1086007.33 | 733243.00 | 1112659.67 | 578268.33 | 405512.67 | 319450.67 | 710248.00 | 889412.00 | 971626.00 | 916879.00 | 978336.00 | 784938.00 | 1003581.00 | 1043290.67 | 892874.00 | |
| N-hydroxy-L-leucine | 1049928.33 | 1255027.00 | 1248814.00 | 1024898.67 | 1345479.00 | 1399766.67 | 1002555.33 | 1126017.00 | 1372254.33 | 1063216.33 | 1029606.00 | 947029.67 | 1460958.00 | 1236705.50 | 1110914.00 | 1188681.67 | 1325423.67 | 1068556.67 | 1344933.67 | 922015.67 | 954898.33 | 1242545.00 | 1305464.00 | 1150525.00 | 1310563.33 | 1314150.33 | 1159327.67 | 1268983.33 | 984910.33 | 1029542.00 | 940592.67 | 1109372.00 | 1248377.67 | 1267482.67 | 1217405.33 | 1249600.00 | 1153930.33 | 1252146.33 | 1277062.33 | 1164730.67 | |
| N-hydroxy-L-pipecolate | 2372361.67 | 2307073.00 | 2386008.00 | 2342525.00 | 2380126.00 | 2409940.00 | 2412554.67 | 2154632.00 | 2721482.00 | 2471735.33 | 1743932.00 | 1871588.33 | 2137174.00 | 1744074.50 | 2292971.33 | 2155662.67 | 2447770.67 | 2347189.00 | 2300890.33 | 1992486.33 | 1892171.00 | 2181282.00 | 1856482.00 | 2323987.67 | 2407871.33 | 2297334.33 | 2567440.33 | 2433779.00 | 2291707.33 | 1667307.67 | 1719920.33 | 1761039.00 | 2023104.67 | 2613725.67 | 2103821.33 | 2183354.67 | 2377032.33 | 2065259.00 | 2183665.33 | 2100168.25 | |
| nicotine blue leuco form | - | - | - | - | - | - | - | 170207.00 | 149825.00 | - | 165558.67 | 185880.33 | 182230.50 | 154256.50 | 11116.00 | 88310.00 | 133564.00 | 20265.67 | 124167.67 | 119732.00 | 144399.50 | 132825.00 | 144274.50 | 12930.50 | - | - | 19074.00 | 23500.00 | - | 161216.67 | 162308.00 | 157337.00 | 170884.50 | 138334.67 | 144835.67 | 153088.00 | 107630.67 | 153608.67 | - | 69326.00 | |
| O-Acetylserine | 2959086.00 | 4251033.50 | 4204595.33 | 2666708.67 | 4410160.50 | 5019755.33 | 3323953.67 | 3305497.00 | 4705604.67 | 3107317.33 | 4171939.67 | 3715305.00 | 6236519.00 | 4815589.50 | 10165595.67 | 5728296.67 | 5503209.33 | 5128456.33 | 5527446.67 | 3414019.33 | 3481441.67 | 5716037.00 | 6006476.00 | 7784658.33 | 5194791.00 | 4489580.00 | 5286819.33 | 4590469.33 | 3253586.33 | 2823412.67 | 2508102.33 | 3992992.00 | 4816605.67 | 4794367.00 | 4481095.00 | 4638342.33 | 4066589.33 | 4723411.00 | 4484446.67 | 4888696.08 | |
| Oleic acid | 239116.00 | 1578269.00 | 265021.33 | 293838.33 | 997013.00 | 257821.00 | 594463.00 | 7036271.00 | 633689.67 | 484188.67 | 3236960.33 | 5767927.33 | 8312137.00 | 12331837.00 | 1156580.33 | 238449.33 | 1062294.00 | 560456.67 | 2011636.00 | 698181.33 | 2125511.00 | 2051053.00 | 7059771.00 | 436682.67 | 459314.00 | 214363.33 | 330935.67 | 247529.33 | 158726.67 | 3028366.33 | 2795069.33 | 2079041.00 | 8127465.33 | 152519.33 | 761680.33 | 531568.67 | 192000.00 | 1808805.33 | 993279.67 | 1951016.92 | |
| Orotic acid | 16710804.33 | 15526722.50 | 15244796.00 | 17049513.67 | 15406926.00 | 16306150.33 | 16065711.67 | 16674813.33 | 16193303.33 | 16255273.67 | 17163920.67 | 17990823.33 | 19776891.00 | 18776419.00 | 15364579.67 | 15527919.67 | 16356983.33 | 15854287.67 | 16627119.33 | 14355988.67 | 15907056.67 | 17451702.00 | 18536803.00 | 15441407.33 | 16549664.67 | 16303520.00 | 15489846.67 | 16016739.00 | 15753775.00 | 17222274.00 | 17378581.00 | 19574458.00 | 18874910.67 | 15000983.33 | 14132441.67 | 16392950.00 | 16207792.00 | 16918813.00 | 14938274.67 | 17761681.00 | |
| Oxalic acid | 780526.33 | 1568515.50 | 1352373.00 | 714524.67 | 1752317.50 | 1682763.33 | 980315.67 | 950796.00 | 1683951.67 | 930489.67 | 752027.00 | 595615.00 | 2094941.00 | 1775820.50 | 1353716.00 | 1451915.00 | 1783120.33 | 1215571.00 | 1765910.00 | 586520.67 | 586097.67 | 1451361.50 | 1856083.00 | 1339044.67 | 1762137.67 | 1507566.33 | 1280546.67 | 1644164.33 | 1005086.33 | 824009.00 | 550628.00 | 1084156.00 | 1540118.00 | 1568534.00 | 1549861.00 | 1629773.67 | 1250218.00 | 1663755.67 | 1585391.33 | 1567115.92 | |
| Oxalureate | 319226.33 | 1213319.50 | 1119832.67 | 324354.00 | 1210857.50 | 1162049.33 | 559240.33 | 530975.33 | 1216270.33 | 437714.67 | 275366.00 | 168451.00 | 1692323.50 | 1310987.00 | 1064742.67 | 1095708.67 | 1417562.67 | 748185.67 | 1417614.00 | 275779.00 | 133040.00 | 1074992.00 | 1224286.50 | 988597.33 | 1179697.00 | 1209975.33 | 759019.33 | 1319270.67 | 637596.67 | 256048.67 | 153848.00 | 928529.00 | 1166196.33 | 1215204.67 | 1129530.33 | 1231114.67 | 940995.33 | 1227529.33 | 1226720.00 | 1130689.17 | |
| Palmitic acid | 4537806.33 | 25598407.50 | 6382231.00 | 5565220.67 | 18245177.50 | 6700041.67 | 10222799.33 | 16557433.67 | 8670256.33 | 10468944.67 | 13687133.67 | 19273781.33 | 13575737.50 | 20064677.00 | 11916408.67 | 5881437.00 | 10017108.00 | 12752877.67 | 7817092.67 | 8544032.67 | 8538550.33 | 13397928.50 | 15235187.00 | 10225026.33 | 8850953.00 | 7137824.00 | 9165844.00 | 7046470.00 | 7714430.00 | 21303236.33 | 14944040.00 | 11101917.00 | 14214492.00 | 6519917.00 | 8410661.33 | 8383531.67 | 6205385.00 | 10223971.33 | 16318258.33 | 14919697.08 | |
| Palmitoleic acid | 78214.67 | 179011.00 | 96363.00 | 150865.67 | 261365.50 | 88991.67 | 99054.67 | 1989552.00 | 157713.67 | 54256.33 | 741222.33 | 1331116.00 | 2138724.00 | 2850069.00 | 124943.33 | 52582.00 | 274352.33 | 78293.00 | 413682.67 | 180563.00 | 501382.00 | 410941.00 | 1517115.50 | 86522.00 | 172393.33 | 124907.33 | 74562.00 | 60987.67 | 49607.67 | 545197.67 | 698910.33 | 489069.00 | 2298999.00 | 41540.00 | 146844.67 | 159108.00 | 49050.00 | 344530.33 | 141331.33 | 440167.75 | |
| Paracetamol sulfate | - | 125263.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 113114.00 | - | - | - | - | - | - | - | 197441.00 | - | - | 220345.17 | |
| para-hydroxyrosiglitazone | 1121628.67 | 1057405.00 | 1053512.67 | 1116028.00 | 1147157.00 | 1043016.33 | 971852.33 | 994430.33 | 1245775.00 | 1083755.67 | 677741.67 | 623836.33 | 598464.50 | 367504.00 | 1025045.33 | 948449.00 | 935402.33 | 1107722.00 | 854755.33 | 851954.33 | 887025.33 | 939527.00 | 602721.00 | 1000875.33 | 1128165.67 | 1111187.67 | 1071959.67 | 1152009.00 | 1056480.67 | 684508.67 | 642470.67 | 563535.00 | 690498.33 | 1074621.00 | 931287.33 | 893028.33 | 1068360.33 | 791506.67 | 1080577.67 | 836671.92 | |
| PG(12:0/13:0) | 34899.00 | - | 183874.00 | - | 28398.00 | 102146.50 | - | 857391.00 | 121287.00 | 29778.00 | 981819.67 | 1079598.00 | 1094979.00 | 739776.00 | 86044.33 | 217347.00 | 479959.33 | - | 678853.00 | 439226.67 | 666613.00 | 651029.00 | 1205528.50 | 66431.50 | 170280.67 | 147948.67 | 30426.00 | 133550.33 | - | 1213310.33 | 1170226.67 | 916723.00 | 567003.67 | 58223.00 | 179839.67 | 514083.33 | - | 724129.33 | 24377.00 | 370683.08 | |
| Phosphophosphinate | - | - | 355763.00 | - | - | 386526.00 | - | 4084788.00 | - | - | 2939607.33 | 3613312.33 | 4533445.50 | 4971838.50 | 149799.33 | 579781.00 | 935652.00 | - | 2097716.00 | 940232.00 | 1837634.50 | 3842393.00 | 4040925.50 | 82997.00 | 672877.67 | 432656.67 | - | 190978.67 | - | 3088306.00 | 3444383.67 | 3881330.00 | 4861860.50 | - | 122757.33 | 646266.67 | - | 1525297.33 | - | 1133128.42 | |
| Phytuberin | 570322.67 | 852868.50 | 790997.33 | 1370896.33 | 775535.50 | 1037516.00 | 824822.67 | 1389168.67 | 1065283.67 | 1042944.33 | 1346997.67 | 1052497.67 | 1371365.00 | 1441540.00 | 711853.00 | 638012.00 | 1045305.00 | 1526298.67 | 740700.33 | 1087746.00 | 724755.33 | 2214543.00 | 1558282.00 | 950168.00 | 1048479.50 | 837424.33 | 1035546.67 | 1487762.33 | 1186754.33 | 995846.33 | 1098642.67 | 1443805.00 | 1297389.67 | 908870.33 | 901963.00 | 909027.33 | 1558027.67 | 894034.67 | 1156673.67 | 6817027.83 | |
| polyprenylpyrophosphate | - | 6732590.00 | 6795400.00 | - | 14532118.00 | 13323753.00 | - | - | - | - | 6367986.00 | 6150372.00 | 5983835.50 | 6182633.50 | 6557556.33 | 6578210.67 | 6076969.00 | 6431801.33 | 5783283.33 | 11232994.67 | 12434623.67 | 13745752.50 | 11131776.50 | 11902147.33 | 13587391.67 | 12737626.67 | 12493342.67 | 13228180.00 | - | - | - | - | 7240920.00 | - | - | - | - | - | - | 6496205.25 | |
| Polysorbate 20 | 9132414.67 | 7637054.00 | 7125740.33 | 8768889.33 | 7046152.00 | 6573538.33 | 8531485.67 | 7601721.50 | 6041764.33 | 7837140.33 | 1046866.00 | 590941.67 | 604192.00 | - | 6503509.00 | 6164360.33 | 4385728.00 | 8047831.33 | 2587411.00 | 4455817.67 | 4247296.33 | 4855998.50 | 194566.50 | 6692496.67 | 6894530.67 | 6695326.33 | 7495952.00 | 6480691.67 | 8199737.33 | 455858.00 | 155043.67 | 187437.00 | 3937829.00 | 5044055.00 | 2701781.67 | 1982220.67 | 7227876.00 | 1020112.67 | 6654383.00 | 4431978.83 | |
| Proacacipetalin | 1304280.67 | 1541912.50 | 1445415.00 | 1260259.00 | 1678288.00 | 1661327.00 | 1347507.00 | 1394614.33 | 1595961.67 | 1346699.00 | 1180925.67 | 1195876.67 | 1720261.50 | 1320204.00 | 1439341.67 | 1420138.33 | 1657317.00 | 1490550.00 | 1553260.33 | 1053251.33 | 1125723.33 | 1559758.00 | 1492020.00 | 1435514.67 | 1680576.67 | 1638388.67 | 1419057.00 | 1588201.67 | 1279177.33 | 1206718.00 | 1079125.67 | 1467881.00 | 1506937.67 | 1531896.67 | 1414808.67 | 1588700.67 | 1488137.67 | 1425657.00 | 1476128.00 | 1538162.50 | |
| Pyrimidine nucleoside | 6337591.33 | 6872624.50 | 6196467.00 | 6472969.00 | 7050969.00 | 7382914.33 | 6060015.33 | 6358819.67 | 7251556.33 | 6210160.67 | 5976597.33 | 6080551.67 | 8270816.50 | 6427729.50 | 6064884.67 | 5842137.33 | 6676066.00 | 6372767.00 | 6834900.33 | 5601781.00 | 6047169.67 | 7324638.50 | 6966874.50 | 6602044.00 | 6939383.33 | 6765355.67 | 6854394.33 | 6964046.67 | 5895648.33 | 6072252.00 | 6316110.33 | 6050863.00 | 6888497.33 | 6896059.67 | 6611508.67 | 7091895.67 | 6318324.67 | 6849471.33 | 6643019.00 | 6576967.58 | |
| Pyruvic acid | 730881.67 | 195706.50 | 1528294.00 | 1106076.33 | 200712.00 | 1496572.33 | 206204.00 | 2615194.33 | 223596.67 | 713105.67 | 33193844.67 | 42704458.67 | 40745372.00 | 40368846.00 | 13360073.67 | 6039923.33 | 5753311.67 | 3169052.67 | 12461085.00 | 22998638.00 | 26724098.33 | 30092024.50 | 46127716.00 | 8152798.00 | 4548514.67 | 684150.67 | 3245053.67 | 1228171.67 | 385015.33 | 4112432.33 | 4605605.33 | 3622902.00 | 3904790.33 | 165377.33 | 378877.33 | 918776.33 | 466998.67 | 1309144.33 | 202626.67 | 8279414.42 | |
| (R) 2,3-Dihydroxy-3-methylvalerate | 2078281.67 | 2155830.00 | 2047981.33 | 1986102.00 | 2173006.50 | 2568521.00 | 2088909.67 | 1849487.33 | 2383944.00 | 2117621.33 | 3020389.00 | 2983332.67 | 3546110.00 | 3315108.00 | 2309004.00 | 2438990.33 | 2986413.00 | 2154981.33 | 3161520.67 | 2662880.33 | 3023451.67 | 3908321.50 | 4229686.00 | 2105863.67 | 2410671.00 | 2297206.67 | 2346797.33 | 2550044.00 | 2085780.00 | 1999141.00 | 2076357.67 | 2213485.00 | 2450012.67 | 2374971.33 | 2200171.67 | 2303468.67 | 2288132.67 | 2432332.33 | 2147333.00 | 2392334.75 | |
| Rhamnose | 57561.00 | 86053.50 | 242652.00 | - | 176866.00 | 178210.00 | - | 319795.33 | 307736.00 | 853601.67 | 356968.00 | 301341.00 | 159781.50 | 49499.00 | 531445.33 | 785446.00 | 111198.00 | 1542643.33 | 877152.00 | 304195.33 | 1346402.33 | 340584.00 | 104580.00 | 1766559.33 | 148545.50 | 87957.00 | 1078700.67 | 253699.67 | 66174.00 | 342938.33 | 255698.67 | 792422.00 | 540652.33 | 117065.00 | 90231.00 | 376158.67 | 2065819.33 | 52543.50 | 92269.00 | 462732.17 | |
| Ribose | 4987788.33 | 4602917.00 | 3952857.67 | 4818295.00 | 4727362.00 | 5429147.00 | 4908454.00 | 4580441.67 | 5293436.33 | 4413682.33 | 5070587.33 | 5047025.67 | 7280062.00 | 5121397.50 | 4241055.33 | 3905266.33 | 4762305.67 | 4506155.67 | 4808539.00 | 4058302.67 | 4677925.00 | 5307186.00 | 4940837.00 | 4749311.00 | 5111783.33 | 4526361.00 | 4673293.00 | 4611453.67 | 4348463.00 | 5384517.00 | 5062878.67 | 5385275.00 | 5491221.67 | 5160323.67 | 4986661.33 | 5366340.67 | 4914460.67 | 5321694.00 | 5026248.33 | 8557262.67 | |
| Sinapoylspermine | 216036.33 | 239157.50 | 262353.67 | 266589.33 | 330460.00 | 347731.00 | 203105.33 | 241140.67 | 512443.67 | 249674.33 | 392164.33 | 317084.33 | 336299.50 | 173871.00 | 274537.00 | 251295.33 | 498315.33 | 245511.00 | 574344.33 | 366684.33 | 335298.00 | 387368.00 | 328536.50 | 309683.67 | 321352.33 | 366159.67 | 321989.33 | 333241.33 | 208369.00 | 315079.33 | 236594.33 | 248151.00 | 213985.00 | 542636.67 | 690744.67 | 646353.00 | 236501.67 | 592723.33 | 303659.33 | 336115.50 | |
| Ssioriside | 1696733.67 | 1591328.50 | 1594326.00 | 1679547.00 | 1642241.50 | 1681104.33 | 1544253.33 | 1293371.33 | 1636997.00 | 1716849.00 | 860884.67 | 656551.00 | 602957.50 | 149661.50 | 1573489.67 | 1476770.67 | 1356899.67 | 1637706.67 | 1165790.67 | 1336844.00 | 1188189.00 | 1152400.00 | 772130.00 | 1612955.33 | 1600414.00 | 1605908.67 | 1708726.00 | 1647607.33 | 1436971.33 | 711899.33 | 455483.67 | 294516.00 | 872541.67 | 1526404.67 | 1417752.67 | 1253057.33 | 1585554.00 | 1239912.67 | 1529906.33 | 1326541.25 | |
| Stearic acid | 2505781.00 | 21374694.00 | 3919588.33 | 3223562.33 | 15616550.50 | 3856573.33 | 5952086.67 | 8263812.67 | 6918781.67 | 7309685.00 | 7923597.67 | 12866900.67 | 4884417.00 | 7742625.00 | 7801523.67 | 3679781.67 | 5399291.67 | 9522883.67 | 3484022.67 | 5271298.00 | 4981996.00 | 8964339.50 | 7506183.00 | 6104690.67 | 5351952.33 | 3495980.33 | 5688004.67 | 4589657.33 | 3559411.67 | 14741918.00 | 9112126.67 | 6179814.00 | 5711925.67 | 3641856.00 | 5088125.00 | 6875376.33 | 3403499.00 | 5958496.33 | 12741944.67 | 9602402.08 | |
| Threoninyl-Proline | 2575212.67 | 4410733.50 | 2384037.33 | 3217417.33 | 3509364.50 | 2120986.33 | 3871516.33 | 3498204.33 | 2688159.67 | 2647231.67 | 1945444.00 | 1849688.00 | 2369613.00 | 1851244.00 | 1877026.00 | 2807896.33 | 2326569.67 | 3441842.00 | 1771350.33 | 2429165.67 | 1895770.00 | 2084940.50 | 1844837.50 | 3013968.67 | 3098750.67 | 2996024.00 | 2349815.00 | 2336362.00 | 2831355.00 | 1947775.67 | 1834673.67 | 1775513.00 | 2498869.67 | 2706345.67 | 2612063.67 | 2056313.33 | 2981449.33 | 1900087.33 | 2846257.00 | 3111752.08 | |
| Thymine | 3757542.67 | 3317027.00 | 3430181.00 | 2799812.33 | 3176630.50 | 3105941.00 | 3517436.00 | 7309930.00 | 5391346.00 | 3937050.67 | 13651908.67 | 14344692.33 | 14568241.50 | 14221182.50 | 4341346.67 | 4846566.00 | 7702027.33 | 3916784.67 | 10543993.33 | 6318063.33 | 8483232.67 | 7241098.00 | 11979637.50 | 3793184.67 | 3358434.00 | 3736193.00 | 3885777.00 | 3447352.67 | 3199206.67 | 14114718.00 | 14102267.33 | 16215659.00 | 12253231.33 | 9178581.67 | 9749912.00 | 13460922.00 | 4943442.33 | 12094969.67 | 3287773.00 | 6602203.33 | |
| Trehalose 6-phosphate | 67025.33 | 71647.50 | 79422.00 | 62998.33 | 65159.00 | 67411.00 | 63066.00 | 70517.33 | 72836.33 | 68094.67 | 597999.33 | 624072.00 | 812059.00 | 666481.00 | 86643.33 | 109591.00 | 260356.33 | 71187.33 | 378307.67 | 279976.67 | 306187.33 | 322987.50 | 840172.00 | 67294.67 | 83790.67 | 76580.33 | 65112.67 | 73299.67 | 63571.00 | 106449.00 | 105898.67 | 84534.00 | 90609.00 | 66192.00 | 63329.00 | 84432.67 | 62126.00 | 86219.33 | 55971.67 | 131054.25 | |
| Tridecanoic acid | 89057.00 | 115098.50 | 102811.33 | 148793.33 | 121590.50 | 121551.00 | 107293.67 | 143551.00 | 97271.33 | 140050.00 | 208968.33 | 178591.33 | 187463.00 | 186675.50 | 95116.33 | 74691.00 | 107150.00 | 163836.33 | 114475.67 | 127311.00 | 106087.00 | 238730.00 | 146989.00 | 129663.33 | 112272.00 | 288993.33 | 111024.67 | 134713.67 | 146941.00 | 113195.67 | 155747.00 | 194763.00 | 178571.67 | 126426.33 | 112690.67 | 139288.67 | 101833.33 | 134449.67 | 142042.33 | 112424.67 | |
| Undecanoic acid | 169378.33 | 213140.00 | 184673.67 | 243765.67 | 180550.50 | 279672.00 | 184840.33 | 243590.33 | 236494.33 | 354292.33 | 330363.00 | 388892.00 | 312306.00 | 326804.50 | 234575.33 | 210782.67 | 300549.67 | 317995.33 | 264149.67 | 267788.67 | 276817.33 | 376637.00 | 290251.00 | 252691.00 | 260776.33 | 392120.00 | 260555.33 | 280477.00 | 367081.33 | 266110.33 | 330362.00 | 346664.00 | 305019.33 | 294491.33 | 253609.67 | 277103.67 | 296832.00 | 269582.33 | 231418.67 | 197963.75 | |
| Valproic acid | 2350004.67 | 3343358.00 | 1945732.33 | 3018646.67 | 3103811.50 | 4122631.00 | 1918766.00 | 3415305.00 | 3244472.00 | 3798547.67 | 4978029.33 | 5282226.00 | 6165019.50 | 4798228.50 | 2826066.33 | 2877734.00 | 5118722.33 | 3777848.33 | 4559414.67 | 4133207.67 | 7314232.00 | 4862940.00 | 3316240.50 | 3036640.33 | 3209630.67 | 4731675.33 | 2746277.00 | 4333764.33 | 4034884.00 | 4561517.33 | 4595571.00 | 5273557.00 | 6104687.33 | 3409591.67 | 3014742.00 | 4167411.00 | 3638563.00 | 4678623.00 | 2965964.33 | 2825251.67 | |
| Xanthine | 1089540.67 | 902627.50 | 1661902.00 | 951234.00 | 790326.00 | 1369343.33 | 1095314.00 | 8717598.33 | 3932861.67 | 821544.00 | 16662359.00 | 18488897.33 | 16985764.00 | 18189502.00 | 9205861.00 | 5307866.00 | 6926413.33 | 5102905.33 | 8693360.33 | 7315856.00 | 9536934.00 | 7419329.50 | 13791469.50 | 6958665.33 | 2663950.33 | 1477475.33 | 5095359.33 | 4604648.33 | 836682.00 | 22971660.00 | 23670858.00 | 20826464.00 | 16137945.33 | 2759946.67 | 9993672.67 | 16251775.00 | 3142255.33 | 19410643.33 | 1109222.33 | 6335136.08 | |
| xi-gamma-Undecalactone | 49151.00 | 70396.00 | 58479.00 | 129807.00 | 47061.50 | 59644.00 | 66484.00 | 1367271.00 | 232208.00 | 69137.00 | 1602410.00 | 2173782.33 | 2402496.50 | 3592715.50 | 60211.00 | 82095.33 | 145824.67 | 69138.33 | 634406.33 | 587073.67 | 905836.33 | 1007186.00 | 2209243.50 | 62336.67 | 51899.67 | 56533.00 | 57236.33 | 43494.00 | 72882.00 | 1803887.00 | 2432689.33 | 3457513.00 | 2978538.33 | 172736.67 | 373939.67 | 613386.00 | 83215.00 | 944183.33 | 53583.50 | 776100.67 | |
| Zinc dithionite | 352866.67 | 315737.00 | 365310.67 | 379101.33 | 282686.50 | 335229.33 | 386454.33 | 320371.00 | 374313.33 | 342530.00 | 402774.00 | 423055.33 | 414843.50 | 359495.00 | 323325.33 | 341142.33 | 370198.00 | 351070.33 | 403147.67 | 366137.33 | 386881.67 | 390929.00 | 373249.50 | 340463.33 | 369352.67 | 357167.67 | 340018.33 | 367373.67 | 334935.67 | 379359.67 | 390417.00 | 499984.00 | 407373.67 | 371216.67 | 391373.67 | 409525.67 | 332447.67 | 383587.33 | 389418.67 | 383211.33 |
Factors:
| F1 | treatment:BR_Cefto3g_0h |
| F2 | treatment:BR_Cefto3g_215h |
| F3 | treatment:BR_Cefto3g_47h |
| F4 | treatment:BR_Cefto6g_0h |
| F5 | treatment:BR_Cefto6g_215h |
| F6 | treatment:BR_Cefto6g_47h |
| F7 | treatment:BR_Control_0h |
| F8 | treatment:BR_Control_215h |
| F9 | treatment:BR_Control_47h |
| F10 | treatment:M_Cefto3g_0h |
| F11 | treatment:M_Cefto3g_143h |
| F12 | treatment:M_Cefto3g_167h |
| F13 | treatment:M_Cefto3g_191h |
| F14 | treatment:M_Cefto3g_215h |
| F15 | treatment:M_Cefto3g_23h |
| F16 | treatment:M_Cefto3g_47h |
| F17 | treatment:M_Cefto3g_71h |
| F18 | treatment:M_Cefto3g_7h |
| F19 | treatment:M_Cefto3g_95h |
| F20 | treatment:M_Cefto6g_143h |
| F21 | treatment:M_Cefto6g_167h |
| F22 | treatment:M_Cefto6g_191h |
| F23 | treatment:M_Cefto6g_215h |
| F24 | treatment:M_Cefto6g_23h |
| F25 | treatment:M_Cefto6g_47h |
| F26 | treatment:M_Cefto6g_71h |
| F27 | treatment:M_Cefto6g_7h |
| F28 | treatment:M_Cefto6g_95h |
| F29 | treatment:M_Control_0h |
| F30 | treatment:M_Control_143h |
| F31 | treatment:M_Control_167h |
| F32 | treatment:M_Control_191h |
| F33 | treatment:M_Control_215h |
| F34 | treatment:M_Control_23h |
| F35 | treatment:M_Control_47h |
| F36 | treatment:M_Control_71h |
| F37 | treatment:M_Control_7h |
| F38 | treatment:M_Control_95h |
| F39 | treatment:M_ControlWS_0h |
| F40 | treatment:Pooled_QC |
