Data for ST003521   

(Analysis AN005782): Average values per metabolite and experimental factor (Units:peak height)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53
10,11-dihydro-20-trihydroxy-leukotriene B4
280668.00 179652.00 152334.00 186482.00 452100.00 733604.00 420211.00 450253.00 431965.00 388727.00 601752.00 388851.00 1818857.00 1375962.00 1509317.00 1681759.00 884417.00 794581.00 1994645.00 1348747.00 467774.00 663895.00 784321.00 835575.00 1368279.12 798333.44 1856543.00 1409286.25 545794.00 516368.72 887164.44 909613.81 777604.31 466885.12 451567.16 788775.31 269053.00 585805.12 605523.81 757481.38 193776.84 244367.77 273454.25 450595.75 257433.80 234823.47 366864.47 156483.89 1853824.25 1553839.12 1535762.38 1698413.50 881474.88
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-g...
49312.00 52133.00 54610.00 16889.00 86925.00 73106.00 52103.00 76944.00 65142.00 59515.00 76767.00 68061.00 106742.00 102989.00 103047.00 120336.00 118662.00 108991.00 81850.00 113313.00 101862.00 104434.00 131257.00 97158.00 121270.77 89541.43 88246.15 97507.39 100288.45 92955.97 101954.67 98742.24 110264.81 81395.59 98310.16 77048.60 64934.00 71493.54 72008.92 47840.11 78057.03 88198.67 88070.41 68595.87 27290.17 84942.77 73122.06 89298.75 126771.12 182426.77 207762.97 217815.06 91794.55
1,2-dihexadecanoyl-sn-glycero-3-phosphosulfocholine
22367.00 1054362.00 127405.00 7622910.00 1115624.00 874283.00 6799985.00 870091.00 1522665.00 4207413.00 604828.00 5465581.00 3847236.00 4486209.00 1516420.00 1830488.00 106654.00 965914.00 6384843.00 506936.00 367294.00 2919519.00 600041.00 707990.00 425224.91 693338.69 2045336.88 450899.97 144449.91 704337.00 679523.25 1846743.75 432232.50 609650.62 292579.12 426231.81 629381.00 249339.69 2021466.25 8257482.50 737428.44 233692.16 413207.22 2721615.25 9374632.00 459783.38 1253944.25 175183.91 1981206.62 2417474.75 2593358.50 2272343.75 1803045.88
1,3,5-trimethoxybenzene
12447.00 - 9947.00 - 15240.00 48843.00 33415.00 24876.00 45447.00 12455.00 28990.00 11414.00 84947.00 128149.00 60962.00 65129.00 124665.00 237731.00 78899.00 108125.00 246021.00 89555.00 172785.00 98790.00 73381.91 57658.30 67583.39 77058.89 212783.16 124644.37 135956.58 74438.63 85776.06 40105.14 60916.61 118543.59 10144.00 24189.11 14465.55 - 15076.38 12003.70 19639.07 12696.07 13465.14 49697.35 34237.33 17987.28 138008.47 211598.03 159640.03 174708.31 141130.84
1-4-beta-D-Glucan
92754.00 151013.00 108064.00 177670.00 138774.00 171814.00 189911.00 175622.00 119701.00 130112.00 136338.00 139970.00 442106.00 409274.00 481459.00 361730.00 122187.00 202180.00 354376.00 266421.00 99922.00 201860.00 181206.00 188752.00 282749.97 291757.94 492493.31 328415.31 156992.03 229934.44 292763.84 323432.88 122845.92 132327.39 128582.52 158017.58 112056.00 103789.20 187231.88 189065.73 129670.80 132373.16 186734.38 493180.56 120960.38 75497.72 188186.59 51642.46 289663.06 602814.56 568196.19 510402.66 256229.20
1,6-anhydro-N-acetylmuramate
159694.00 222957.00 246475.00 178822.00 208951.00 237917.00 190438.00 249728.00 292673.00 336180.00 226382.00 264382.00 443963.00 331631.00 457979.00 505645.00 272411.00 266485.00 301057.00 315926.00 189732.00 295567.00 247358.00 144490.00 617145.06 476714.69 612405.00 506788.19 352351.19 403477.69 439974.31 459863.44 421238.94 534918.94 362823.56 420443.34 251053.00 216165.17 339886.66 317651.50 513024.03 620721.75 754682.38 1054005.12 324754.56 636336.56 652709.19 553809.44 2716046.00 490059.34 527350.25 537212.25 493097.28
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
157407.00 118697.00 98355.00 57821.00 64563.00 107946.00 - 69193.00 99636.00 66361.00 121294.00 72413.00 100525.00 65407.00 78231.00 95856.00 158640.00 77658.00 88177.00 113831.00 108454.00 82652.00 133225.00 161118.00 227957.88 126077.67 240218.50 242998.75 211559.55 142542.80 220125.97 208723.06 272866.88 140307.02 171993.31 218791.59 36092.00 100150.05 75471.66 53681.52 81017.94 129040.09 129085.41 154005.83 32666.36 86602.84 147159.00 34436.22 217371.92 313885.22 329644.31 298191.69 154016.91
1-carboxymethylpyridinium
88726.00 179481.00 283192.00 357103.00 151205.00 188483.00 208739.00 197235.00 303367.00 111166.00 203178.00 244843.00 257997.00 199727.00 267458.00 221802.00 350823.00 182763.00 216400.00 185229.00 103262.00 239207.00 77348.00 138407.00 77116.81 189249.02 153018.94 291993.84 173912.50 133115.14 151078.56 156797.00 217875.47 87176.53 286256.75 147594.20 79967.00 165521.20 154419.28 158838.00 145769.83 231727.77 156528.89 253126.47 358857.22 221542.75 230653.72 405394.59 90593.44 184613.56 178148.78 155951.83 211030.50
1-deoxyxylonojirimycin
85908.00 60717.00 65437.00 37010.00 105943.00 145960.00 97785.00 124727.00 122542.00 82463.00 125778.00 93559.00 182768.00 183843.00 206758.00 212514.00 264925.00 219409.00 239197.00 269467.00 173719.00 199822.00 298281.00 252378.00 268920.16 152456.12 247780.44 217860.05 283926.56 245939.22 305979.00 297896.94 233561.61 120509.41 154036.81 190437.28 57530.00 110577.98 68485.73 29550.46 102321.36 95398.15 121952.03 125918.62 37233.41 97703.38 115339.44 86937.73 195656.27 316738.19 301916.22 352902.75 193187.53
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5^-...
95089.00 85478.00 70942.00 41815.00 126359.00 177773.00 111933.00 114080.00 154569.00 134736.00 168404.00 112190.00 245878.00 193425.00 216310.00 248013.00 327738.00 301721.00 310823.00 367845.00 243841.00 413852.00 397152.00 409580.00 230063.64 162146.97 255178.89 241692.52 245253.14 217248.92 257801.81 257960.72 338211.88 246919.16 209137.42 310575.69 68089.00 127994.02 103628.65 67855.53 72684.31 94867.77 131813.03 122910.39 100573.73 148408.64 165010.44 105670.09 518375.84 855530.25 891253.38 896639.81 231017.75
1-Hydroxypyrene
2406176.00 792605.00 1441473.00 449946.00 1138570.00 1741226.00 871736.00 1529581.00 1538029.00 1052152.00 1908738.00 1143493.00 1458521.00 1059815.00 1090177.00 1894859.00 2049409.00 1072862.00 1409681.00 2271628.00 1464664.00 892034.00 1986326.00 2805509.00 2829715.75 1792086.75 1886821.75 2850101.75 2362486.75 1241750.00 1639130.62 2311944.75 2699493.00 1772278.38 1501828.25 2503408.25 694361.00 2107060.50 923600.00 482587.09 693476.12 1404060.00 1653260.12 2375094.75 734632.69 854110.88 898878.12 1003388.94 2702125.25 2581742.00 2681102.75 2943958.25 2350973.75
1-Methyl-1,3-cyclohexadiene
1883764.00 988235.00 1087481.00 528521.00 497920.00 786373.00 187718.00 672163.00 597325.00 321773.00 893956.00 446726.00 765121.00 460058.00 534815.00 889702.00 1068903.00 600158.00 606699.00 862757.00 860360.00 599490.00 1103607.00 1584124.00 1110515.50 864267.12 877309.12 1313809.12 1041003.81 557363.19 734441.44 709628.62 1192370.00 766604.38 606798.06 1167000.25 366846.00 1096860.25 567477.94 253756.05 667514.94 1085078.62 1186368.12 1376407.75 278860.69 364892.81 518151.66 257718.41 890616.12 1172677.88 1166913.75 1202908.62 976845.19
1-Pyrroline-2-carboxylate
106922.00 248332.00 129653.00 238894.00 264704.00 350278.00 303762.00 266158.00 309515.00 266970.00 251374.00 238475.00 964742.00 796546.00 698931.00 581974.00 297774.00 553460.00 771630.00 547623.00 276264.00 988740.00 511055.00 477915.00 386522.94 371243.94 566566.69 370028.25 319234.94 485933.94 427873.34 666134.12 343707.97 258256.66 345725.81 398901.00 187803.00 163965.22 319205.44 251800.44 209059.05 231258.72 228396.17 607716.00 325789.25 193326.84 403458.50 109850.20 1061346.00 2160732.50 2247983.50 2346050.50 536470.31
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazol...
89022.00 64544.00 90869.00 132789.00 34702.00 178248.00 66892.00 122305.00 82165.00 191966.00 120904.00 68389.00 95245.00 164447.00 96634.00 57554.00 98253.00 85109.00 67049.00 87722.00 41437.00 186179.00 84499.00 134707.00 89097.70 77857.51 124515.80 102792.02 40305.85 89383.34 77549.92 76252.14 88386.11 101855.62 121974.02 137590.48 81331.00 62204.89 96057.66 79559.41 121220.21 114893.58 101681.43 136600.39 84136.30 116547.21 159293.16 109192.89 155746.84 256990.03 247557.14 285763.31 178191.91
(1R,4S)-fenchan-2-one
251158.00 199123.00 154598.00 108976.00 178856.00 266802.00 136512.00 229778.00 289442.00 222588.00 270198.00 218059.00 344371.00 308968.00 337701.00 350450.00 391457.00 428099.00 470151.00 398930.00 501529.00 614731.00 604462.00 557507.00 374831.34 279453.66 440700.97 379811.75 431592.53 414045.16 583476.62 594049.06 737709.69 380713.19 545206.94 582964.19 141557.00 220903.75 176932.55 134937.22 172667.77 197238.83 230269.95 332986.44 140800.09 253227.03 262776.50 196458.09 463495.12 589775.00 660915.38 592719.38 406924.94
(1-Ribosylimidazole)-4-acetate
138429.00 108168.00 114693.00 65395.00 444278.00 549844.00 322616.00 381749.00 421006.00 326601.00 455543.00 332012.00 840305.00 648724.00 747356.00 978482.00 1152002.00 1076697.00 882057.00 1261722.00 866856.00 930693.00 1072224.00 924827.00 962219.38 661077.38 1045947.81 892554.31 1039575.94 972604.50 1434728.62 1192226.62 884888.31 440882.72 698115.44 785959.81 172911.00 325115.09 247541.05 138886.06 241668.44 255515.44 435257.84 446317.06 200754.86 321331.97 390329.25 299807.62 1024205.19 1541323.88 1527474.00 1580755.38 735793.38
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carbo...
114700.00 262619.00 341850.00 105031.00 396659.00 307439.00 385768.00 433622.00 578917.00 150421.00 477006.00 122990.00 258377.00 390968.00 491250.00 621568.00 638852.00 482800.00 415660.00 360071.00 156302.00 117647.00 105574.00 283488.00 90764.24 392859.50 232697.12 546707.88 285241.62 230215.00 250369.62 415229.06 378008.12 126748.02 474542.06 392946.03 34896.00 279680.44 299260.78 150562.48 262014.22 505805.41 221731.69 140311.86 219149.84 488388.72 619502.44 581301.06 127074.48 350420.59 355110.19 343622.09 333116.69
20-COOH-leukotriene E4
225289.00 205362.00 280194.00 141185.00 237367.00 356948.00 245520.00 290833.00 265165.00 218125.00 339171.00 237738.00 1468809.00 1041583.00 1519851.00 1295850.00 811925.00 1055795.00 1126391.00 939636.00 650853.00 720840.00 830948.00 624205.00 1130179.00 707243.81 1349322.75 905617.88 626267.38 521333.72 777866.94 654466.50 468511.75 274263.84 392413.62 406038.12 193322.00 276099.69 290459.81 183970.06 310299.19 471402.75 737836.12 763406.25 135278.23 315204.88 268691.34 169991.97 1109506.75 2422319.25 2451856.50 2401964.75 703985.31
2,3-Dimethylmaleate
28241.00 15614.00 15310.00 - 44250.00 52633.00 49775.00 44235.00 50041.00 42352.00 51112.00 39699.00 113055.00 95875.00 140079.00 122726.00 144124.00 164199.00 203153.00 138126.00 152959.00 161166.00 159797.00 145156.00 88280.91 68554.35 114904.92 93544.99 94246.73 111305.36 162114.50 116813.64 111119.88 69268.71 129918.70 78504.48 17453.00 34433.59 35574.55 19922.05 32781.91 34744.57 50165.70 59117.41 42140.71 54349.05 54720.39 35577.66 83805.20 84070.68 95820.82 96937.65 73112.74
2-acetamidoglucal
- - - - 44890.00 114668.00 44703.00 - 33865.00 49418.00 62382.00 10180.00 171201.00 87421.00 93164.00 111497.00 197733.00 128409.00 196683.00 184616.00 161797.00 145079.00 171028.00 202723.00 126603.48 56186.64 158621.80 118441.06 143475.80 140064.80 201060.45 142492.59 66636.84 59541.17 140190.67 177974.39 - - 10891.04 - - - 39743.38 48328.43 - 44031.36 52793.36 38444.53 261586.02 322222.66 249871.41 379688.31 176971.33
2-Amino-2-deoxy-D-gluconate
59881.00 206956.00 221420.00 487071.00 195927.00 186511.00 288045.00 194759.00 130699.00 - 132228.00 267484.00 244455.00 443747.00 364931.00 195209.00 130285.00 134783.00 225108.00 200347.00 150879.00 232004.00 96010.00 160041.00 25689.34 187670.23 224370.03 207872.44 79288.12 95111.08 100113.70 - 295530.25 131025.53 131117.97 78930.77 20659.00 82953.03 118751.43 334753.88 222424.88 212550.72 46013.01 169323.27 286229.25 153113.81 169104.55 143745.61 184696.84 139029.80 145563.16 146589.25 205673.78
2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine
- - - - 58552.00 76929.00 99966.00 73758.00 77885.00 63872.00 82691.00 30009.00 140217.00 135526.00 215808.00 196790.00 161085.00 187685.00 220462.00 191962.00 182024.00 185047.00 207240.00 166873.00 107857.43 106053.71 173392.39 141052.44 133967.27 124110.58 204381.92 172030.89 70310.67 84848.00 113792.94 88880.08 29200.00 30956.48 54429.34 29682.41 31109.41 56333.60 79367.90 48351.69 28671.51 72610.22 55584.55 43220.29 96710.46 119031.30 114483.68 111676.64 122621.70
2-Amino-5-phosphopentanoic acid
11224.00 18714.00 8648.00 - - - - - - - - - 102394.00 115347.00 127460.00 156063.00 98591.00 90807.00 69423.00 93251.00 47950.00 61821.00 50447.00 30875.00 106334.22 86252.97 115084.29 102024.81 65689.90 114662.40 79804.52 78594.74 56974.95 21545.07 14871.48 33408.34 9488.00 - - - 51172.44 77599.16 69221.79 101792.72 12894.63 47099.49 23418.45 23289.96 73301.06 142124.17 126796.31 118086.62 55419.73
2-Aminobutan-4-olide
30091.00 23877.00 24005.00 - 35411.00 74312.00 35224.00 63528.00 81454.00 52962.00 79003.00 59502.00 101388.00 80637.00 111955.00 133191.00 160055.00 167653.00 137634.00 147237.00 119588.00 182784.00 160087.00 162619.00 81705.02 82862.50 89461.90 101060.57 105433.95 116116.28 149143.61 144223.52 154085.30 87098.50 102894.57 132589.38 - 54481.99 32385.18 - 24626.05 40985.51 56378.52 67510.06 30042.10 58292.09 69667.86 27291.28 95449.77 162242.89 151929.05 165525.61 110319.86
2 -(Butylamido)-4-hydroxybutanoic acid
48657.00 69072.00 77486.00 60485.00 71702.00 73988.00 66534.00 70144.00 70289.00 73892.00 58445.00 76492.00 141422.00 68029.00 108600.00 110678.00 41602.00 74751.00 84494.00 80954.00 - 70309.00 55821.00 72774.00 124697.38 76644.45 43337.99 96914.45 54576.66 70873.70 80489.66 56258.56 68455.59 101865.04 79962.16 57685.38 112419.00 100604.87 109869.01 86727.14 164179.08 164975.83 171762.69 262760.25 26182.75 79230.84 79327.59 68807.36 55436.17 87171.73 117952.15 108698.56 101249.90
2-chlorohexadecanol
- - - - - - - - - - 19530.00 - 27060.00 - 20164.00 34734.00 55350.00 29089.00 25309.00 41184.00 26170.00 32355.00 50892.00 37996.00 40314.27 - 22232.10 24537.85 27970.58 31282.82 27096.96 26853.46 39760.27 - 30665.16 21518.56 - - - - - - - - - - - - 53117.36 116285.06 104824.80 99389.32 24904.62
2-C-Methyl-D-erythritol 4-phosphate
155816.00 146665.00 178001.00 114870.00 193611.00 270242.00 142642.00 189228.00 233815.00 189091.00 183250.00 156641.00 96968.00 177385.00 88979.00 170524.00 182150.00 182848.00 149737.00 173928.00 198521.00 172235.00 234249.00 190940.00 145840.28 112684.48 102328.23 139988.45 196492.56 228174.77 179894.41 178361.52 190651.83 187029.12 171415.28 178797.31 164373.00 198121.80 204522.44 146836.56 - 87079.27 134733.20 237243.91 131896.84 164362.95 184010.97 158655.73 - - - - 130815.02
2-Dehydro-3-deoxy-D-gluconate
99364.00 163000.00 115779.00 207350.00 299373.00 307681.00 446880.00 261231.00 239323.00 193572.00 186175.00 212573.00 892919.00 704246.00 826360.00 739910.00 280728.00 593956.00 1089677.00 639465.00 269635.00 638150.00 469626.00 408631.00 437909.84 395484.84 840690.69 501794.69 299970.03 547476.88 658459.00 854021.94 209194.38 167788.91 294081.25 294250.41 163127.00 130158.65 253061.09 264012.84 146962.78 197044.64 262898.22 646641.12 246846.41 113945.24 257966.20 69325.72 496935.84 542172.12 524755.50 508139.31 423437.72
2-Ethylhexyl phthalate
59983.00 35799.00 39548.00 32296.00 11546.00 13648.00 80231.00 66485.00 26123.00 21919.00 150287.00 148433.00 32412.00 36472.00 56598.00 63675.00 41844.00 44165.00 88568.00 96198.00 66700.00 94398.00 241140.00 203619.00 51031.11 45128.04 90212.80 95101.62 62670.28 43925.00 112989.06 126005.70 113005.65 51467.21 214996.06 200592.12 13884.00 36738.24 46599.29 41938.19 17018.10 31077.83 65455.62 90552.91 19780.86 25946.50 171548.41 219911.58 83230.82 81261.81 77393.55 78107.99 78793.48
2-hydroxymethylolanzapine
72614.00 49730.00 54821.00 - 51084.00 86441.00 28012.00 64135.00 62627.00 36191.00 81246.00 72516.00 90805.00 117054.00 102942.00 137965.00 137252.00 113394.00 143672.00 100120.00 88241.00 81280.00 138087.00 134975.00 77839.66 75875.90 64183.28 90658.76 72397.14 88535.34 108179.57 123418.74 115203.14 92905.45 96863.88 123334.12 24655.00 78362.42 41014.00 - 29922.55 61027.36 80624.12 58018.78 - 61515.54 72377.42 46531.22 66042.19 101792.23 84557.53 84990.65 83651.98
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate
123827.00 79333.00 116909.00 85998.00 83279.00 109410.00 70305.00 112571.00 69201.00 86836.00 83507.00 85067.00 90270.00 84785.00 68146.00 72374.00 107273.00 74213.00 60515.00 85277.00 93599.00 68049.00 82055.00 116744.00 69089.17 60542.18 72114.90 86672.16 101169.35 60829.43 75627.64 57234.16 101742.68 96986.54 99857.75 115741.04 75938.00 119961.59 79402.14 86374.66 75577.36 93531.41 109030.48 154247.03 66682.31 88878.01 87477.80 107671.13 38069.27 115902.06 124368.59 187226.67 130805.41
2-Oxobutanoate
23741268.00 15033932.00 13599854.00 6916575.00 21920802.00 30826338.00 16945856.00 20749738.00 34153268.00 23133586.00 37314804.00 22296286.00 34875392.00 30894684.00 26746868.00 29331218.00 57258080.00 54664892.00 57764316.00 57441084.00 72143408.00 83894952.00 80538568.00 82082288.00 27829704.00 23610580.00 35004088.00 31516432.00 61971720.00 53674812.00 75756472.00 64412724.00 81487408.00 51259108.00 72279952.00 72866312.00 10866914.00 24350294.00 14874843.00 7902099.00 9628061.00 12304255.00 14250970.00 18666864.00 15750270.00 30195424.00 35097640.00 21758172.00 60024740.00 69714360.00 74899664.00 71295312.00 44528448.00
(2R,4S)-2,4-Diaminopentanoate
- 82688.00 - 672783.00 37694.00 31228.00 170069.00 - 30788.00 40981.00 - 53485.00 356486.00 573661.00 161554.00 202866.00 - 94822.00 317589.00 22916.00 - 63634.00 - 45127.00 25246.09 65932.40 193221.52 43799.76 - - 36595.62 75468.59 - - 17706.98 - 21103.00 - 36095.04 291036.75 71086.14 20779.87 22036.21 545025.12 423307.72 - 78020.39 - 58345.59 74774.11 67368.76 52428.33 86990.30
(2S,4S)-Monatin
339842.00 1065301.00 636252.00 - 939146.00 640064.00 794183.00 1109171.00 857646.00 893017.00 903032.00 279302.00 973880.00 880655.00 673390.00 892929.00 969517.00 769090.00 1369558.00 1095617.00 1003647.00 261271.00 929340.00 1132055.00 119135.84 1294030.25 1255180.12 971848.00 589800.31 1483611.50 1366024.88 1039529.56 1159918.00 1172859.00 766154.88 1287353.88 355552.00 695589.50 1161143.12 1428356.88 1041332.62 618749.25 335504.38 1167460.75 625507.94 695548.38 1281783.50 1321529.62 375747.09 827297.06 900943.50 835730.50 532181.31
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
15690.00 - 31831.00 - 45351.00 57713.00 53459.00 67504.00 53679.00 30537.00 131482.00 85717.00 100643.00 80443.00 128728.00 127952.00 158161.00 150008.00 149791.00 207031.00 268950.00 220848.00 382591.00 331003.00 93120.08 38613.52 124029.67 95026.85 119442.46 97175.48 181633.31 135079.55 160026.72 81270.23 237514.12 192596.98 9334.00 24431.12 46728.95 26562.34 18009.23 38601.79 65436.20 74401.20 23501.46 54488.43 95992.12 135185.41 157131.17 253590.45 218094.73 228137.42 112127.56
3,6-Dideoxy-L-galactose
20831.00 16436.00 18121.00 - 53718.00 85316.00 62011.00 54584.00 65329.00 40018.00 58374.00 22377.00 147569.00 118741.00 181380.00 154751.00 247726.00 218227.00 191223.00 214008.00 234028.00 213147.00 214838.00 166316.00 149803.38 110077.53 195054.06 150339.53 218676.28 203146.19 231122.39 177630.31 136277.88 77004.44 139335.55 128691.99 28774.00 41216.85 27129.83 16453.45 58398.36 59313.75 89043.64 66292.99 41048.57 91092.56 61742.66 60188.16 160533.55 212405.34 203342.22 198293.89 126459.85
3-Acetamidobutanal
105760.00 273315.00 194443.00 - 229566.00 179859.00 143635.00 303504.00 245403.00 155800.00 228038.00 113596.00 183083.00 167088.00 158939.00 234371.00 252680.00 152448.00 247599.00 302366.00 179246.00 65137.00 216658.00 300482.00 41090.06 337978.03 239777.23 289940.91 191559.48 330558.09 338434.25 271910.62 310031.78 274663.94 233429.42 335830.22 98819.00 188083.12 304808.41 304243.31 294387.88 185836.45 96106.15 409130.44 136423.48 212711.06 330186.03 377565.34 138513.84 225684.52 256909.38 264780.97 258578.47
3-Butynoate
24085.00 1320422.00 125577.00 12428640.00 456683.00 425911.00 3484643.00 418089.00 615156.00 1715239.00 252387.00 2038423.00 15592807.00 20322936.00 4921069.00 5931713.00 233947.00 2088753.00 17287812.00 1091622.00 562241.00 3781003.00 728961.00 945473.00 1142754.88 2073740.38 7019681.00 1189303.25 208054.80 1299666.38 1192791.50 3145993.75 416240.34 632813.62 273809.84 453410.31 528194.00 213804.00 1787578.25 7945502.50 1236155.88 436716.31 845161.69 6953720.00 15896892.00 701883.44 1463645.50 169809.39 3988759.25 4522524.00 4695584.50 4636340.00 3367219.50
3-Dehydroxycarnitine
4092780.00 3186030.00 2806317.00 2618657.00 6716791.00 9125065.00 9119533.00 6740893.00 8625926.00 6210365.00 8651962.00 5831566.00 16579367.00 16550030.00 16556590.00 19631606.00 22400608.00 24513314.00 28517912.00 21350188.00 20003256.00 26129702.00 26508302.00 22925116.00 13508437.00 10819203.00 18653118.00 13881013.00 19837358.00 18148504.00 25256764.00 24864440.00 23373034.00 11834233.00 16841876.00 18832718.00 3185256.00 5971839.00 4779306.00 4247503.50 3610462.25 4450253.00 5258312.50 8035977.00 7115240.50 7259484.50 8132330.50 4641598.00 22887198.00 29458056.00 29914006.00 29430062.00 14039528.00
3-Hydroxyhexobarbital
592297.00 566079.00 560468.00 545788.00 110019.00 158521.00 74994.00 144031.00 160622.00 184224.00 138535.00 141326.00 68361.00 58062.00 56550.00 69322.00 77717.00 73794.00 47875.00 87925.00 81925.00 97001.00 86229.00 96759.00 117347.05 81260.72 57712.86 80937.30 70517.14 74363.21 131548.81 110489.98 120423.59 138801.80 102239.28 107829.09 161813.00 173338.77 191183.86 191201.41 205537.77 249336.34 285149.97 509953.97 82223.25 103429.80 147760.34 89020.89 185958.00 333634.47 337842.88 335650.69 197485.83
3-Ketosphingosine
202000.00 110647.00 157215.00 97237.00 122083.00 191090.00 110030.00 169371.00 176718.00 118026.00 214696.00 131968.00 242486.00 176738.00 194164.00 203688.00 301427.00 221258.00 295024.00 296373.00 203463.00 252875.00 261441.00 351499.00 200163.61 142162.34 277554.59 260420.61 302019.03 193525.83 251162.11 246585.23 307478.31 219136.83 235381.70 247399.83 91628.00 162155.48 121848.88 69489.87 76092.65 124816.48 144944.50 218963.52 145374.86 212995.27 136852.56 169179.11 167430.47 193391.86 215585.33 262151.31 222455.41
3-Methylbutanoic acid
30867.00 26043.00 34302.00 41597.00 61459.00 96066.00 98791.00 106183.00 68346.00 60945.00 98113.00 74677.00 171517.00 206626.00 314181.00 371779.00 220706.00 227677.00 441880.00 350675.00 174975.00 223430.00 175368.00 258547.00 158121.28 165874.92 354421.12 267361.91 157116.27 234419.78 329909.88 330392.94 145779.05 129490.42 198211.84 174831.62 47087.00 51055.29 87154.98 64515.96 61143.04 90136.80 138994.91 210994.42 60166.90 109081.59 120711.39 77970.55 106788.43 117035.07 141341.70 153640.73 195225.36
3-Methylcrotonylglycine
30372.00 29708.00 23252.00 18812.00 70537.00 84127.00 59896.00 73734.00 94228.00 71646.00 79328.00 48808.00 145138.00 124855.00 149701.00 156113.00 192032.00 177728.00 207079.00 173438.00 170675.00 181471.00 212769.00 175773.00 137320.81 96897.50 137270.64 128879.15 157559.86 160344.62 197964.47 186391.66 188915.56 99090.84 148916.83 170964.70 27117.00 58160.61 42599.62 22971.12 26984.84 64753.56 60791.49 89623.11 26170.77 80738.85 70706.48 52772.43 94708.23 199305.59 217881.77 196384.39 129491.41
3-Methylguanine
44272.00 48073.00 45185.00 38320.00 88582.00 122084.00 95791.00 99845.00 69837.00 73279.00 77471.00 64530.00 221139.00 218578.00 323280.00 253175.00 163222.00 201704.00 294842.00 234968.00 156358.00 263835.00 170382.00 192378.00 141945.19 163715.23 209833.30 227309.89 158655.89 171169.92 178171.23 204042.58 90375.91 85632.39 114815.67 99890.09 86228.00 46699.39 87296.34 83485.30 102866.95 108226.74 180409.25 175789.70 99845.65 86774.20 102305.82 51426.80 127903.52 137183.78 140343.75 132087.14 140178.84
3-nitro-2-pentanol
- - 60307.00 66329.00 - - 313938.00 309796.00 - - 675446.00 576802.00 - - 302493.00 293375.00 - - 229220.00 431094.00 - - 720917.00 574995.00 - - 391657.75 302893.44 - - 388647.66 407472.25 - - 671608.62 508599.31 - - 300534.56 229540.84 - - 242908.77 300912.84 - - 616735.25 792975.19 405902.41 728980.25 631452.31 712232.50 264733.19
3-Phospho-D-glycerate
80618.00 179921.00 197969.00 328749.00 171923.00 184112.00 277721.00 183759.00 147565.00 118957.00 161154.00 140308.00 204485.00 357127.00 215871.00 347771.00 121448.00 158877.00 227651.00 170345.00 87500.00 130982.00 104182.00 129712.00 78169.83 185050.08 108904.07 270882.72 233191.31 119741.77 142911.80 225373.83 256233.08 122994.23 118879.05 114585.77 78234.00 100702.36 103973.97 175941.19 180808.36 201745.05 76471.53 263325.22 359467.09 221929.02 370316.34 114409.85 155297.95 305703.69 308374.16 288649.31 320134.94
3-(Pyrazol-1-yl)-L-alanine
10005.00 9125.00 - - 29513.00 37626.00 11744.00 14048.00 23742.00 18605.00 46188.00 22366.00 65383.00 13747.00 44381.00 20638.00 58860.00 49634.00 36151.00 57376.00 38755.00 69201.00 46188.00 54802.00 40608.56 20308.86 37755.06 32379.44 49883.15 25119.87 43412.70 48864.03 47379.93 16989.75 24778.47 56845.83 - 13939.51 9267.35 - 17580.23 13319.72 16012.95 11876.94 - 27466.52 17910.64 - 84859.05 161652.78 168171.55 157054.48 57926.77
(3R,7R)-1,3,7-Octanetriol
127715.00 78143.00 107363.00 50387.00 105803.00 111732.00 97386.00 99529.00 80453.00 56407.00 110280.00 80009.00 210532.00 182227.00 292558.00 362328.00 313995.00 274211.00 352704.00 439885.00 170520.00 131079.00 238349.00 233675.00 233215.55 184670.34 442052.06 413407.12 171160.05 174520.34 366144.44 225693.97 118958.92 65617.26 84132.34 113549.14 58623.00 94894.34 72588.10 62363.02 71789.65 88468.34 116796.31 143903.91 - 37049.81 66680.49 22665.37 163390.78 397477.28 395910.78 408911.84 204290.53
(3R)-hydroxy-N-acetyl-(L)-arginine
121755.00 85527.00 79437.00 63681.00 127408.00 184318.00 111254.00 112153.00 149670.00 111940.00 152019.00 113771.00 258032.00 242747.00 269861.00 238345.00 297178.00 296168.00 357503.00 320496.00 280648.00 330829.00 330436.00 276738.00 281902.44 169782.42 272252.03 231437.59 282572.44 294227.59 250712.94 359159.59 274972.06 194549.12 253453.98 239626.56 85005.00 111808.48 97538.23 66650.08 116882.16 104321.96 122807.65 155388.58 113986.62 190323.92 148365.69 129093.60 175209.55 198754.94 253244.47 232011.55 209123.58
3-Ureidoisobutyrate
109977.00 69634.00 64894.00 20422.00 129923.00 186125.00 102587.00 116930.00 172494.00 104165.00 158888.00 90235.00 249385.00 183923.00 187264.00 224651.00 417135.00 302129.00 291960.00 339465.00 410703.00 350608.00 379114.00 313545.00 276641.91 182939.67 233528.09 230822.00 366388.97 291622.09 391646.97 356630.66 355369.72 205791.86 219511.36 270858.88 63027.00 115320.38 93255.88 41494.82 83559.77 107615.78 127424.31 112166.05 72369.50 174062.89 129099.82 106777.46 269256.12 444536.41 438248.72 453132.97 197477.53
4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate
175094.00 96909.00 144690.00 - 184993.00 165559.00 164873.00 173976.00 167502.00 206806.00 142374.00 76144.00 66008.00 154422.00 179699.00 194818.00 237633.00 173280.00 152833.00 142911.00 274524.00 141514.00 98895.00 178564.00 186871.88 227529.53 91458.71 247793.73 169902.14 182652.08 186456.38 197030.12 66848.99 159317.75 67087.16 74529.90 263279.00 223184.30 104834.37 70025.42 185182.58 211633.78 151038.39 131749.48 162302.69 172337.09 157848.47 119579.88 65255.95 - - - 58111.44
4,6,8-Trimethyl-2E,4E,6E,8E-undecatetraene
199188.00 219360.00 208685.00 279907.00 51943.00 127838.00 - 113688.00 84365.00 44348.00 109169.00 74519.00 224746.00 177190.00 100405.00 138171.00 104831.00 25624.00 185246.00 162984.00 67874.00 128714.00 145967.00 272512.00 133006.98 171001.44 131049.44 192186.75 99148.11 65487.12 79637.73 121307.20 140468.05 118162.62 108470.83 207020.50 61761.00 105754.41 151243.48 107648.77 165654.03 173005.58 187977.47 813426.88 - 50914.21 104257.20 - 231094.77 425969.16 522329.66 539350.38 253195.27
4,8-Dimethyl-1,3E,7-nonatriene
75548.00 74567.00 64159.00 29027.00 119382.00 147537.00 97223.00 78754.00 113607.00 105087.00 128481.00 78442.00 363777.00 215512.00 303458.00 301592.00 436313.00 349557.00 332381.00 374161.00 213570.00 370535.00 325207.00 278220.00 295298.25 186938.91 278832.69 253094.66 341654.88 271000.69 402025.72 276351.44 273607.06 139127.22 173818.97 174087.11 56472.00 97880.44 89723.77 61608.17 61880.41 87753.20 117296.34 116587.70 54467.83 124257.35 147455.58 66761.11 384853.25 765890.62 865154.12 855777.00 221685.86
4-Aminobutanoate
13522.00 2129491.00 137452.00 8639238.00 2389564.00 1316763.00 11253917.00 1475410.00 3058182.00 5679489.00 714646.00 6860534.00 21417158.00 17870850.00 14122914.00 15270084.00 305796.00 7039929.00 26113752.00 3202829.00 1144841.00 16398350.00 3425666.00 1758412.00 3331834.25 6480850.50 18675604.00 4709022.50 499758.50 4419185.50 5749158.00 13650006.00 1191003.50 2048749.38 948124.50 1620172.62 1552885.00 288652.06 4648958.00 14683663.00 1902643.62 764947.31 1074095.00 8043724.50 17294054.00 1196582.38 7705248.50 439514.12 5025389.00 8683803.00 8527937.00 9137616.00 6036302.00
4-amino-MX
52924.00 53391.00 45658.00 24039.00 476632.00 572052.00 351004.00 341042.00 736914.00 536972.00 619875.00 380181.00 829575.00 421744.00 481654.00 683273.00 1242844.00 1156855.00 730578.00 862366.00 1990460.00 2343169.00 1831501.00 1651809.00 451971.41 351205.91 555569.31 378147.78 641828.56 746777.62 916632.50 671460.88 1455298.38 925801.31 1338793.12 1074754.62 168548.00 257218.95 174592.30 107569.60 157713.91 146751.00 145778.11 119873.11 312619.06 725299.69 540287.94 414676.22 877913.38 1323073.88 1213694.62 1110027.25 710453.50
4-Carboxymethyl-3-methylbut-2-en-1,4-olide
259444.00 187542.00 238187.00 89330.00 399406.00 505742.00 269760.00 316437.00 385620.00 325255.00 404816.00 295259.00 855082.00 757586.00 925069.00 985109.00 1277962.00 1051783.00 837991.00 1034094.00 1014453.00 1085259.00 918445.00 862642.00 964817.19 667176.88 875101.25 737253.06 915671.31 803542.00 886091.75 814437.50 881166.81 591989.62 796121.06 655999.50 209508.00 332780.53 246774.09 142652.20 349364.91 409311.84 507815.00 400016.81 194433.91 614200.12 433011.03 379410.19 850786.69 1434258.62 1597882.25 1599059.75 767529.94
4-Guanidinobutanoate
52583.00 51161.00 51207.00 26701.00 218180.00 343218.00 246048.00 189010.00 234122.00 168698.00 218754.00 98827.00 914186.00 617741.00 902084.00 958856.00 1195064.00 1173641.00 1229475.00 998445.00 932789.00 1103854.00 751699.00 526983.00 545174.38 352867.62 789826.88 511462.41 455101.34 432968.16 705683.69 550311.19 516370.81 276301.78 401956.75 316028.97 115159.00 151877.59 145257.22 115801.98 116773.56 111090.60 191490.86 134545.06 86599.74 167891.67 136645.88 90392.39 669480.19 1081793.25 1106840.62 1089753.50 502682.47
4-Imidazolone-5-propanoate
400208.00 229198.00 232037.00 122371.00 244563.00 375722.00 154062.00 261871.00 347138.00 227967.00 383460.00 224127.00 501328.00 433963.00 466608.00 582497.00 799094.00 696786.00 651870.00 711795.00 587908.00 550153.00 729291.00 730473.00 517741.16 380720.12 499748.78 497631.53 515141.75 437080.53 613362.44 563580.62 681919.25 448239.72 537001.75 674087.31 163012.00 307219.31 197894.06 108249.38 206666.17 290420.16 302285.47 350101.38 149361.88 230379.97 279949.97 155959.48 642490.19 881184.38 906120.31 940380.44 473909.34
4-[N-γ-L-glutamyl-)-p-(β-aminoethyl)phenoxy-methyl]-2-(ami...
89436.00 82797.00 82167.00 51593.00 132794.00 174026.00 108417.00 125118.00 145168.00 126385.00 129694.00 84865.00 208698.00 197958.00 224059.00 258221.00 325129.00 282338.00 327218.00 296230.00 300135.00 282684.00 285073.00 319858.00 222858.84 179744.80 225137.42 232241.83 292387.34 227290.33 332038.50 298155.72 293502.78 161178.84 243640.70 217776.70 84497.00 104104.38 89907.41 54114.83 89430.40 103465.63 139089.28 137245.92 97981.29 154283.52 126668.29 103095.24 184618.83 223476.67 219279.33 258073.06 211536.80
4-Oxoproline
- - - - 217163.00 172822.00 221114.00 136809.00 393138.00 340309.00 213867.00 546901.00 - - 52332.00 40830.00 67849.00 179413.00 249921.00 204780.00 120417.00 453252.00 306250.00 213907.00 23282.33 46015.94 - 48736.14 86081.43 293179.38 263207.94 409528.81 283290.03 270344.97 196458.42 269276.41 17049.00 16470.31 38110.50 - - - - - 249435.33 136226.12 440844.53 191799.73 91486.62 234742.38 211374.67 258582.05 208540.52
4-(Trimethylammonio)but-2-enoate
19615.00 - - - 66660.00 48445.00 27856.00 57603.00 79862.00 30072.00 74851.00 44869.00 60343.00 76064.00 65419.00 101894.00 144598.00 181101.00 163651.00 165618.00 147561.00 197986.00 144643.00 167665.00 82880.73 50513.82 131860.00 93504.88 141683.12 208988.19 315723.72 223754.67 212297.61 123775.02 192486.25 149970.91 - 39115.92 15549.17 - - 33591.04 49660.23 49561.89 - 71992.07 55812.60 20265.80 72083.48 124218.10 119657.38 142107.16 62291.05
5,6-Dihydrothymine
213793.00 161285.00 157429.00 181612.00 378597.00 433597.00 316834.00 420441.00 463722.00 579758.00 390735.00 392753.00 511415.00 580614.00 539819.00 474593.00 415329.00 532657.00 805323.00 612230.00 429815.00 691765.00 530446.00 554473.00 795797.25 299548.81 572023.25 277633.41 606219.75 722885.69 774724.62 715566.44 621142.81 640607.31 701278.25 534984.31 273918.00 276568.12 327752.53 300496.12 154481.28 139419.03 277169.44 525260.50 318102.91 548556.50 569750.88 560684.00 511672.94 465978.47 436329.44 450461.88 515360.12
5-exo-Hydroxy-1,2-campholide
150908.00 63301.00 89883.00 63206.00 102548.00 239640.00 88920.00 127963.00 183373.00 94879.00 255322.00 114687.00 314016.00 205511.00 237584.00 296877.00 522737.00 386936.00 462177.00 610848.00 429110.00 378982.00 520176.00 713890.00 290755.03 219480.09 273944.00 280042.88 343880.25 319620.69 477691.12 382635.16 460336.44 313085.62 401849.62 448043.69 52068.00 165346.36 102520.91 71034.93 54094.93 138822.44 172448.30 304770.84 88978.90 241125.58 195599.58 198492.17 452859.59 852425.06 908076.56 896631.06 500727.72
5-Guanidino-2-oxopentanoate
- - - - 37085.00 83159.00 38231.00 31027.00 46705.00 67451.00 85919.00 57096.00 214283.00 124567.00 259862.00 281916.00 247017.00 216232.00 377665.00 283937.00 240430.00 319853.00 338659.00 260888.00 136364.77 103918.05 253761.73 196519.36 141171.62 112418.16 231583.80 240714.73 153123.14 96503.91 148290.25 148226.67 - 62135.79 50857.63 23473.32 23709.51 36131.62 60784.48 29507.63 30397.21 60981.09 100407.86 35384.57 293291.59 351919.72 377519.75 372489.31 175134.81
5-Methylcytidine
37067.00 65867.00 29480.00 34273.00 66825.00 76702.00 40424.00 40915.00 92278.00 90798.00 112222.00 94326.00 105512.00 54558.00 60555.00 76513.00 96946.00 80373.00 47143.00 87734.00 35637.00 153648.00 121985.00 102971.00 100475.53 44820.25 103403.23 69024.72 102734.77 93068.62 89305.98 89259.27 136094.30 108417.64 79035.12 110725.98 38638.00 60999.11 74905.06 57020.08 86638.73 70093.53 83099.29 81217.52 - 86543.38 98028.90 72863.36 159354.64 251532.19 266924.31 244003.50 102828.82
5-Methyltetrahydropteroyltri-L-glutamate
84900.00 65656.00 92625.00 80909.00 118385.00 201228.00 134126.00 205063.00 154933.00 223456.00 160487.00 147002.00 222344.00 200518.00 236949.00 254009.00 264252.00 215074.00 353351.00 304648.00 221986.00 356373.00 266235.00 313358.00 275758.00 188888.67 242308.62 197654.73 236477.64 242074.77 349937.69 252623.89 278864.53 262972.84 333057.34 232841.03 120873.00 139225.11 176736.78 140693.39 120895.49 115914.45 127408.96 169642.95 121298.86 205228.59 244438.48 224561.11 239526.44 490625.25 447582.81 444960.91 246006.50
5^-methylthioformycin
30372.00 29708.00 27036.00 21399.00 70537.00 84127.00 59896.00 73734.00 94228.00 71646.00 79328.00 48808.00 145138.00 124855.00 149701.00 156412.00 192032.00 177728.00 207079.00 170031.00 170675.00 181471.00 212769.00 190614.00 124493.30 96897.50 142282.83 120645.72 148781.47 157805.30 197964.47 173526.77 188915.56 95435.92 148916.83 170964.70 31816.00 58160.61 42599.62 24291.68 37793.72 64753.56 63023.70 89623.11 46050.78 80738.85 70706.48 52772.43 82290.23 182078.84 231891.08 206511.58 129491.41
5-Oxo-1,2-campholide
- - - - - - - - - - - - 133647.00 165476.00 70848.00 - 237381.00 152038.00 159594.00 164018.00 - 275762.00 138812.00 194974.00 57560.48 - 48234.36 99906.89 162577.28 103022.01 157622.41 169340.83 154068.89 - 149694.25 165461.06 - - - - - - - - - - 82569.72 - - 335135.94 273649.56 375287.66 -
6-deoxy-5-ketofructose-1-phosphate
368382.00 444871.00 333934.00 655906.00 293170.00 403566.00 312314.00 364585.00 620906.00 609258.00 466238.00 601093.00 683332.00 531503.00 250713.00 446150.00 182862.00 267913.00 473122.00 258353.00 286656.00 799913.00 628070.00 472691.00 333274.47 410593.34 419510.09 406425.53 289128.84 327960.56 416124.44 514164.81 673285.88 690016.25 547124.88 684199.44 241160.00 351716.34 433215.34 492951.34 234451.67 321402.75 303363.38 926759.00 926132.88 334345.56 674727.25 237676.62 162267.81 554263.62 618996.12 581483.06 465790.62
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a...
216464.00 115875.00 126450.00 63501.00 61513.00 98620.00 25030.00 88208.00 72649.00 51143.00 91990.00 62844.00 74170.00 69037.00 81099.00 129615.00 101138.00 71335.00 82329.00 92413.00 84735.00 69894.00 86549.00 103811.00 129255.37 101472.86 99721.91 169428.73 104073.66 73878.23 82531.10 84524.42 99356.80 85082.33 85707.41 116715.92 61408.00 127168.98 68567.48 37796.07 101935.59 129530.37 131686.22 172150.14 32864.30 69556.55 69888.04 30786.09 78785.20 114181.59 88420.71 98823.02 106669.46
7,8-Diaminononanoate
196245.00 83946.00 124005.00 79455.00 61887.00 135679.00 29530.00 92822.00 80390.00 39279.00 125230.00 54189.00 132563.00 90500.00 88612.00 146803.00 232994.00 102476.00 123592.00 196622.00 149664.00 110640.00 157107.00 311218.00 188884.41 135518.31 124467.62 202642.75 200826.88 90944.72 156085.81 132837.81 222933.02 103931.36 128633.53 217058.14 63840.00 154401.45 68707.62 49685.89 71048.30 156034.64 164858.39 321992.41 - 76544.66 74983.23 51235.41 700132.88 356736.25 310467.72 430788.28 212703.06
7-Aminomethyl-7-carbaguanine
659952.00 384892.00 990877.00 556193.00 491064.00 626906.00 3400865.00 4514159.00 481698.00 452383.00 9116264.00 7500684.00 823260.00 873407.00 3983147.00 3675009.00 1216173.00 1000314.00 2718886.00 5114883.00 708233.00 738119.00 8295711.00 6649750.00 1311779.38 779373.50 4688774.50 4403923.00 814667.88 740727.88 5250805.50 4860114.00 978441.50 597377.62 6444796.00 6188278.00 329649.00 578314.44 3798384.75 2801310.25 440167.75 666690.88 3589568.75 3774133.50 193077.14 523619.25 7542352.50 9322168.00 4048405.50 4435770.50 4372497.00 4304065.50 3477450.75
7-Methylguanine
675049.00 468355.00 479868.00 595474.00 991813.00 1617202.00 1003122.00 1625748.00 1354843.00 1609867.00 1421238.00 1342334.00 1605934.00 2277488.00 1477692.00 1395385.00 1417604.00 1565445.00 2429164.00 1757421.00 1647641.00 2141331.00 1921299.00 1999930.00 2523262.50 1523721.25 1826927.62 1288451.88 2033539.62 1779511.88 2162910.25 2176353.50 2131022.25 2733311.50 2654937.75 2068139.12 1082224.00 1072465.88 1118551.00 1063842.38 937624.38 849214.69 958777.12 1305533.75 1606514.38 2036223.88 1956778.25 2153456.00 477481.72 1620951.12 1714054.62 1909025.25 1803734.25
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b^]dipyran-4-one
345609.00 293061.00 230236.00 112262.00 550397.00 757939.00 406315.00 532122.00 567688.00 410846.00 574093.00 446689.00 935673.00 844752.00 956162.00 1067577.00 1387000.00 1236265.00 994448.00 1471834.00 976359.00 979481.00 1254216.00 1126812.00 1223488.50 788611.38 1213937.00 1101893.75 1483024.62 1390351.12 1611864.38 1571145.50 1298139.25 667489.50 942069.38 1087453.62 265140.00 476031.56 308487.62 198445.19 372623.16 448275.31 646486.31 550904.31 255805.67 492768.31 487544.44 369743.28 1197454.62 2033214.50 2024805.00 1937762.75 836758.50
8-Oxodeoxycoformycin
120620.00 67224.00 84517.00 47831.00 101887.00 146071.00 77176.00 117628.00 141629.00 89560.00 106809.00 86611.00 171665.00 164192.00 161496.00 197353.00 279275.00 285904.00 237667.00 220701.00 275231.00 221144.00 212964.00 227875.00 194489.75 144763.39 192758.98 209520.64 212272.19 230429.89 265295.72 226039.94 253291.70 146726.23 182284.70 192061.12 67167.00 105543.81 70426.64 49850.82 92145.67 104189.88 101099.41 120896.07 74959.62 134276.38 100043.35 97735.55 123068.44 180501.72 147479.14 182970.11 170149.62
9-mercaptodethiobiotin
2156016.00 1044065.00 1429688.00 807285.00 16895868.00 18152738.00 19260906.00 15459970.00 11101878.00 7556075.00 15585440.00 7107536.00 32044962.00 30709748.00 40526344.00 50167764.00 65563160.00 66477120.00 48934972.00 49655680.00 39112448.00 27585670.00 34906380.00 26085124.00 34136952.00 26275644.00 41944404.00 38034504.00 43020884.00 43908776.00 57115560.00 45475280.00 28212652.00 13540975.00 28772216.00 22941134.00 5926475.00 8143996.00 8659415.00 5847362.50 4132319.00 4695178.50 6136614.00 2198706.50 6585916.50 8715249.00 12215510.00 9816001.00 27173050.00 31753826.00 31744422.00 32075260.00 26295554.00
9-methylthiononylhydroximate
110064.00 168363.00 148134.00 163793.00 151025.00 201881.00 237237.00 207349.00 171431.00 145453.00 127648.00 128236.00 363998.00 384356.00 354697.00 270109.00 207783.00 279841.00 315542.00 302901.00 217061.00 405771.00 254465.00 274759.00 247954.28 228667.22 300149.78 283521.12 197912.31 288298.31 277882.41 303840.56 155574.83 166794.09 189676.77 171397.59 128870.00 136313.81 190416.80 156782.00 186996.16 160829.70 164190.16 417623.56 212347.72 165800.31 282864.75 96759.82 224108.97 216719.06 240763.59 275144.41 213180.64
(Ac)2-L-Lys-D-Ala
1952485.00 1839526.00 1976970.00 832966.00 2690449.00 3527214.00 2033048.00 2525037.00 3070048.00 2357155.00 3617302.00 2275723.00 15086761.00 10473360.00 14010217.00 14112062.00 12913905.00 11993450.00 9192210.00 11455193.00 8309645.00 10009130.00 9678814.00 8922397.00 11257851.00 8020302.00 11376817.00 9897601.00 9881389.00 8004760.00 9512010.00 8185626.50 9320351.00 4846249.50 6810151.50 7519965.50 1562116.00 2462753.75 2501903.75 1327578.75 3796768.50 5410938.00 6738861.50 6445455.00 1748771.25 5219395.50 4120949.00 3447703.00 11377591.00 19919012.00 19766328.00 19608450.00 8550311.00
Acetyl-CoA
2504889.00 1151551.00 1424282.00 752582.00 1138570.00 1741226.00 871736.00 1480893.00 1538029.00 1052152.00 1771356.00 1143493.00 2657570.00 1979042.00 2204325.00 2483537.00 2223158.00 1455345.00 2724148.00 2271628.00 1488698.00 1487162.00 2065216.00 2465678.00 3327383.50 2390584.75 3229322.25 3337058.25 2227544.50 1707230.00 2029960.25 2311944.75 2699493.00 1899881.38 1701908.88 2472654.50 1034734.00 2032981.88 1284149.38 1007522.88 1070500.62 1674007.88 1839284.12 1730219.50 734632.69 947486.06 1310220.75 816093.31 2702125.25 2634454.50 2681102.75 2943958.25 2350973.75
Acrylamide-acrylic acid resin
25235.00 8064.00 17865.00 - 20648.00 95828.00 60571.00 37735.00 52022.00 16601.00 29700.00 14723.00 190427.00 209130.00 193770.00 150767.00 349920.00 362382.00 296748.00 314940.00 410274.00 181953.00 382593.00 264115.00 239656.64 127722.34 212270.53 117526.26 392079.44 313644.91 445799.59 241673.42 128880.55 67763.30 85991.76 237028.05 - 19948.57 11496.23 - 33558.88 24322.93 51933.16 39592.23 18949.32 52600.43 44799.02 20767.94 208971.47 151230.61 154023.55 178569.05 226501.78
Adenine
- - - - 59322.00 65666.00 29965.00 30439.00 58032.00 26351.00 60557.00 26912.00 70511.00 58587.00 83105.00 94598.00 141731.00 119464.00 132413.00 127184.00 111439.00 110345.00 132510.00 116248.00 84867.51 64503.82 92204.30 84600.92 105287.79 87972.11 147236.22 146669.58 94842.77 49289.60 70104.69 106383.30 - 20774.79 - - 26449.15 22522.38 31094.73 43351.14 - 35603.00 52050.00 34464.22 101345.96 142703.86 122010.06 129670.27 83300.85
Adenosine
44852.00 39396.00 68705.00 47493.00 148234.00 247820.00 216693.00 205725.00 134604.00 131544.00 141988.00 95694.00 472113.00 484988.00 797805.00 542810.00 333915.00 451338.00 671922.00 547000.00 304998.00 582897.00 311381.00 397448.00 320555.62 340581.91 511048.78 432690.41 314406.53 358120.59 419171.66 464858.19 177034.17 148187.64 230009.23 188998.73 178362.00 107609.80 180972.75 166019.34 226546.81 225191.72 339325.75 429329.62 193826.14 154487.97 188394.34 76404.03 281506.34 304899.22 312696.28 271422.88 280977.72
ADP
17667.00 269948.00 72286.00 1758217.00 305481.00 157758.00 1042562.00 180417.00 251658.00 436321.00 104118.00 610859.00 1083882.00 1200811.00 583225.00 458399.00 27756.00 315764.00 1054001.00 125663.00 31495.00 363865.00 107120.00 77707.00 163398.89 295386.41 701732.50 197204.16 44020.00 145163.94 213123.14 486221.56 69503.91 94450.35 49415.68 67551.80 121991.00 23728.97 206360.25 1024739.50 242473.86 110219.62 110022.99 1548755.25 1550468.50 124207.34 459220.56 67517.91 305271.16 284915.72 354721.97 326142.69 323729.53
ADP ribose 1^^,2^^-phosphate
316221.00 187618.00 201807.00 69441.00 175331.00 233646.00 96062.00 181482.00 224171.00 148264.00 252670.00 170455.00 384243.00 272762.00 365737.00 389762.00 423249.00 284838.00 323203.00 462919.00 279257.00 252362.00 378304.00 472649.00 458618.53 346974.00 407697.38 384373.44 284577.28 227654.72 350186.59 320025.78 356968.16 310887.94 251013.80 354957.66 119718.00 246555.88 163612.02 90989.92 179918.53 253704.95 258756.20 311947.84 92755.77 154472.16 155166.94 116301.70 430925.84 1090121.62 1137898.50 1085996.75 339600.19
Ala-Ala-Asn-Pro
72398.00 86042.00 62711.00 56018.00 123241.00 148368.00 83643.00 115431.00 105781.00 88891.00 113592.00 85381.00 175677.00 145256.00 200604.00 241679.00 203420.00 197043.00 216226.00 266324.00 169943.00 154271.00 189951.00 211893.00 212213.09 148330.62 174504.03 198928.67 173820.56 143753.89 232649.83 223731.70 181513.62 128788.83 134977.05 166841.70 69255.00 111614.02 83891.69 57617.79 75854.74 103181.85 132558.02 142949.14 64726.55 119046.94 109634.80 86416.04 168758.08 413554.12 378631.69 401142.19 182075.11
Ala-Ala-Asp-Pro
- 24940.00 - 20523.00 - 33291.00 - - - 22344.00 25078.00 20637.00 148468.00 78953.00 90273.00 62715.00 - - 61534.00 53924.00 - 109168.00 36492.00 49693.00 38864.55 34645.57 50728.60 46861.80 - - - 52585.02 38454.57 - - - - - 33089.46 - - 22960.10 28618.04 40929.18 - - 52031.80 - 209100.31 323191.78 323032.06 346199.66 65420.03
Ala-Ala-Cys-Cys
43190.00 75508.00 60675.00 237715.00 67612.00 62753.00 86308.00 57423.00 43315.00 96954.00 45632.00 140961.00 121222.00 109131.00 119018.00 76227.00 23907.00 81304.00 76444.00 71685.00 43041.00 77069.00 43374.00 90295.00 107900.32 75542.67 87881.32 84349.70 36642.19 66582.27 95526.50 86714.00 94598.21 49775.58 83487.09 62155.00 121564.00 42723.80 113500.30 88183.30 109585.02 57653.32 84958.78 206740.89 134752.09 43172.23 53077.14 52916.55 53314.42 80300.53 75293.08 78984.10 82402.37
Ala-Ala-Cys-Pro
282864.00 196551.00 221811.00 221270.00 233397.00 519609.00 177957.00 347911.00 429588.00 279184.00 663893.00 429240.00 1093880.00 546456.00 821559.00 1115020.00 952283.00 815850.00 1359451.00 1332123.00 544685.00 934585.00 1042540.00 1327070.00 801127.06 619314.94 927884.50 979743.88 621779.75 614335.12 831892.94 926328.50 801244.88 528961.38 677225.12 985343.50 201801.00 266787.41 396072.78 245967.38 167533.88 354458.84 323127.00 700547.81 195830.89 388925.47 505619.28 247878.47 2873410.75 1769212.88 2116969.75 2403814.50 1087928.00
Ala-Ala-Pro
1907993.00 1532164.00 1266207.00 910934.00 3230681.00 4756994.00 2682617.00 2909408.00 4408951.00 3318356.00 4288322.00 2745488.00 7085961.00 6104239.00 6470133.00 6676539.00 10811943.00 9264276.00 9363868.00 9907883.00 8303730.00 10794668.00 9885552.00 8827466.00 5830801.50 4240383.50 6451991.50 5322078.50 7784742.50 7626307.00 8937301.00 8153026.50 9429294.00 5779712.00 7818365.50 7665035.50 1639394.00 2923892.00 2118807.00 1391538.62 1756562.25 2294848.75 2829752.00 3085789.25 2638071.75 4514531.00 4384599.50 3154734.50 10238998.00 12839638.00 11730990.00 12476714.00 6535793.50
Ala-Asn-Pro-Pro
386182.00 336215.00 372436.00 193718.00 266057.00 319590.00 221192.00 389934.00 231306.00 259789.00 303487.00 241140.00 151312.00 185986.00 199482.00 216393.00 359820.00 197514.00 124280.00 334713.00 270261.00 228223.00 259086.00 315518.00 240626.69 248405.91 172935.25 241739.91 340821.06 303730.03 208288.89 175422.94 360402.81 288353.06 392625.84 386459.91 292526.00 338054.38 264063.44 177017.95 315977.31 388007.78 341477.47 288920.50 166272.86 437289.50 284280.41 372942.62 357758.81 279095.28 284599.41 398354.91 319607.72
Ala-Asn-Ser
137532.00 96883.00 91965.00 71629.00 69526.00 105550.00 30435.00 66058.00 83502.00 54426.00 92065.00 67930.00 142371.00 99643.00 133213.00 153676.00 160752.00 120022.00 99952.00 172146.00 111707.00 192855.00 159222.00 216221.00 129991.06 125873.69 179948.55 206039.00 119878.68 78531.63 150486.86 119056.41 172539.78 97720.54 76882.37 145347.75 45253.00 109364.62 78930.62 44987.76 63010.73 105070.48 102087.16 136440.67 41092.14 39978.54 102557.49 57025.02 132567.58 632576.75 711327.50 614509.81 154235.91
Ala-Cys-Arg-His
25463.00 12976.00 19657.00 - 36667.00 58594.00 38572.00 30938.00 38098.00 31351.00 51746.00 27776.00 44412.00 47114.00 58647.00 56329.00 101022.00 102041.00 71458.00 91378.00 94495.00 87602.00 103746.00 85143.00 50967.05 44265.54 73068.02 58076.47 85649.20 76828.84 110174.45 70029.80 77432.40 65324.26 74607.24 69279.45 20854.00 29978.94 23244.22 7154.82 23528.97 25574.12 40582.56 24341.27 21596.27 65312.48 47422.80 32186.92 43613.84 54502.16 62752.32 59932.04 52664.52
Ala-Glu-Asp-Ile
69990.00 83102.00 56202.00 122638.00 137663.00 190072.00 183485.00 160418.00 122444.00 219802.00 127782.00 145110.00 293446.00 252975.00 160446.00 171411.00 119654.00 129435.00 327070.00 162118.00 114745.00 270500.00 171656.00 158307.00 176970.41 129879.50 207918.89 131512.27 135680.55 181830.17 214224.12 251897.11 144514.23 181820.53 162883.19 163644.98 114281.00 108523.31 177720.81 191848.02 112132.75 109212.73 121457.91 294994.59 206723.22 147840.89 257575.23 138627.39 293346.31 233988.67 270224.00 263502.81 237546.41
Ala-Gly-Pro
3624245.00 2183204.00 2179394.00 813442.00 4174585.00 5667056.00 2971692.00 3888214.00 5408553.00 3250634.00 5282351.00 3311178.00 8334448.00 7096398.00 8461984.00 9215824.00 14505009.00 14144107.00 10243797.00 14099822.00 12493168.00 11021596.00 13714237.00 12548875.00 10081658.00 6838074.00 9362253.00 8339876.00 12512047.00 10573709.00 13585042.00 11843208.00 11957073.00 6269965.50 9324598.00 10073587.00 2079063.00 4200041.50 2661681.00 1328685.88 3088180.75 3893129.50 4950943.00 4212409.50 2203602.00 4999658.00 4496276.50 2974448.50 9155661.00 13559959.00 13813332.00 14079699.00 7648595.00
Ala-Gly-Pro-Pro
4998133.00 2951835.00 3223384.00 1933036.00 20038494.00 29600166.00 26188730.00 18899624.00 35503176.00 31649430.00 34384432.00 17941888.00 91211000.00 68661824.00 74229832.00 96940736.00 105828424.00 146669280.00 119797968.00 100008576.00 114240856.00 130416752.00 105645152.00 103313536.00 54781732.00 39997536.00 84431792.00 60541204.00 97337520.00 100048400.00 165596704.00 122295240.00 150199632.00 100332632.00 158356352.00 131237576.00 12052959.00 18937764.00 20971514.00 12109087.00 23252538.00 23497232.00 35342396.00 23016054.00 48872780.00 82976752.00 79407232.00 55608336.00 69310160.00 72795336.00 74170344.00 74297336.00 73373232.00
Ala-Gly-Pro-Ser
106922.00 248332.00 129653.00 238894.00 264704.00 350278.00 303762.00 260059.00 309515.00 266970.00 251374.00 238475.00 913920.00 796546.00 721875.00 514117.00 343091.00 553460.00 742913.00 562155.00 276264.00 988740.00 511055.00 477915.00 410037.16 413585.16 535258.44 417721.84 319234.94 485933.94 427873.34 666134.12 343707.97 258256.66 345725.81 398901.00 146608.00 157509.95 319205.44 257403.56 254220.33 229196.38 287673.94 706861.31 325789.25 185969.70 403458.50 109850.20 1061346.00 2160732.50 2247983.50 2346050.50 536470.31
Ala-Leu-Gly-Pro
- 169413.00 12273.00 691011.00 474289.00 298122.00 1700527.00 297826.00 587559.00 1013738.00 170871.00 1180915.00 1121258.00 1075778.00 994828.00 953255.00 48716.00 703086.00 2018330.00 350773.00 188058.00 1863221.00 525058.00 280980.00 212466.58 449884.09 1048808.25 290012.31 46223.09 399419.66 552482.56 1088910.75 144675.41 259892.41 131196.25 185586.31 209891.00 40979.74 693824.31 1495299.12 231174.41 100043.07 128306.98 689926.62 1424509.50 127567.23 810534.38 89000.61 451809.38 767965.44 899989.69 863408.62 584317.81
Ala-Leu-Trp-Asp
- - - - - - - - 73921.00 103690.00 66617.00 59561.00 - - - - 104213.00 93935.00 79489.00 91419.00 111176.00 192474.00 109356.00 126574.00 68931.96 - - - 116903.77 151952.91 164568.88 168494.31 170035.77 154986.05 162373.92 184777.22 - - - - - - - - - 123726.95 128802.20 139969.39 113840.91 44171.73 45742.80 48128.66 39972.02
Ala-Pro
550260.00 440947.00 462091.00 225823.00 671727.00 939571.00 546390.00 631780.00 730646.00 539750.00 697880.00 484095.00 1079425.00 998048.00 1163328.00 1166700.00 1776437.00 1642133.00 1575904.00 1584369.00 1421424.00 1623632.00 1613555.00 1486231.00 1249773.12 929023.75 1212866.25 1099171.75 1536159.88 1345456.75 1733458.50 1580170.00 1423593.12 1054747.00 1315845.12 1300631.00 360513.00 610677.62 436263.09 263441.09 341595.47 559967.25 595680.75 858937.81 505070.59 832484.75 752852.81 510660.38 667817.25 1415956.50 1323325.12 1291870.00 1088560.25
Ala-Pro-Pro
64293.00 87966.00 63870.00 69741.00 50454.00 101122.00 75845.00 71007.00 63961.00 83819.00 52728.00 92376.00 20279.00 31660.00 31153.00 26585.00 33485.00 41895.00 - 18509.00 37564.00 43352.00 59527.00 61082.00 41503.34 48845.89 24735.74 32346.67 20190.05 23062.62 - 20806.21 58166.67 67251.30 54076.53 92364.88 60141.00 98257.19 69451.38 84145.65 41188.88 36100.19 30408.94 59164.97 71832.88 44186.29 88044.41 105686.28 50899.78 59084.83 60985.28 62605.37 83087.42
Ala-Pro-Ser
3006111.00 1582101.00 1853526.00 251672.00 1700023.00 2382955.00 1373298.00 2300805.00 2017486.00 1428056.00 2486511.00 1664932.00 4082616.00 3658635.00 3541027.00 4535791.00 3164663.00 2586278.00 4295719.00 3963347.00 2041248.00 2148949.00 3033146.00 3530871.00 5045065.00 3289971.50 5682848.50 4704337.00 3606804.50 2857129.75 3595459.75 3959501.00 3586633.75 2471460.00 2338924.75 3681934.50 1204006.00 2818436.00 1853830.75 1425079.12 1291626.25 2054762.62 2581065.50 2156081.00 783051.31 1143070.88 1726964.12 1082785.25 4154624.50 3590908.00 3517943.75 4170690.00 3108828.25
Ala-Val-Asp-Ser
31333.00 20827.00 26037.00 16401.00 53143.00 59344.00 42960.00 54016.00 61701.00 45063.00 60668.00 39602.00 80599.00 77435.00 102549.00 102178.00 144989.00 157846.00 135126.00 140161.00 137645.00 129838.00 147105.00 132068.00 82014.73 57974.79 98132.00 92351.07 108107.36 99283.20 124244.55 111851.89 110572.17 77204.59 103046.54 110011.66 27296.00 46944.93 31702.53 25010.64 37110.41 36875.70 44748.70 57602.38 34633.60 61749.93 63428.77 40983.82 72039.33 81406.89 82878.19 87899.61 85848.51
Ala-Val-Gly-His
- 1059628.00 95645.00 3645329.00 1796681.00 969808.00 5926215.00 1122506.00 2454781.00 4473492.00 763899.00 5711320.00 3079183.00 2520158.00 2013215.00 1997266.00 88955.00 1496280.00 4462496.00 883616.00 509159.00 5203373.00 1599405.00 795611.00 526235.12 1111345.62 2699393.25 780376.38 179863.03 1277718.12 1696089.00 3345564.50 541956.38 1078780.50 640857.69 763091.19 833563.00 166400.69 2334923.00 5768561.50 514731.91 231214.02 285201.69 1689700.75 3681431.25 487531.81 2581757.50 282467.28 1298720.00 2464583.50 2404677.00 2597303.75 1688914.25
Ala-Val-Gly-Pro
450867.00 310842.00 256748.00 142187.00 213756.00 282843.00 160440.00 245724.00 377876.00 257225.00 398219.00 288698.00 263750.00 152130.00 155209.00 146640.00 294769.00 276080.00 278915.00 308194.00 362430.00 454644.00 547684.00 547611.00 236255.86 203865.27 198393.56 242647.16 369597.00 218340.34 355496.09 344749.94 805060.38 462116.09 487257.59 643442.38 130307.00 358712.03 215324.84 117417.56 175730.77 219968.84 211821.83 277842.09 118696.26 245855.08 338992.00 230017.75 556330.62 1112150.38 1211427.62 1293347.12 318204.84
Ala-Val-Val-Pro
33202.00 190580.00 46948.00 735844.00 183707.00 115040.00 131750.00 44852.00 210917.00 214315.00 28785.00 106397.00 252389.00 259400.00 45430.00 40921.00 37080.00 129819.00 55017.00 - 36254.00 100991.00 15819.00 - 44160.27 213799.92 78614.27 34360.04 53378.89 56946.14 12643.76 52619.27 42816.59 37561.20 10354.05 11053.52 133588.00 58787.02 85643.27 225794.33 402681.75 125674.20 60185.38 229505.23 247976.38 68916.81 41814.04 13708.68 113139.62 86621.74 80574.13 94597.35 110509.09
alpha,beta-Dihydroxyethyl-TPP
266088.00 267151.00 268493.00 258723.00 248882.00 297861.00 169769.00 353432.00 203130.00 245112.00 259510.00 261851.00 281948.00 279832.00 302133.00 285453.00 179957.00 222430.00 219314.00 196212.00 179268.00 204992.00 192010.00 187583.00 335551.69 271048.16 267648.34 261468.97 227107.36 216986.41 219787.27 245026.61 234128.34 206006.03 224071.33 213960.61 219007.00 230763.81 203242.84 213843.91 367240.12 397235.69 428784.25 448406.38 203243.73 333132.75 252420.08 326273.28 216022.11 333596.91 307076.75 287347.94 280047.09
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene...
242894.00 154046.00 168646.00 124542.00 97552.00 163009.00 53719.00 147608.00 171477.00 101337.00 176267.00 139319.00 84227.00 79581.00 49151.00 93152.00 145526.00 46937.00 112303.00 114610.00 105291.00 119855.00 204913.00 231490.00 145807.36 118014.91 89658.62 141001.19 142879.55 86071.24 95508.95 131801.59 329493.53 242325.98 228662.25 284826.88 92837.00 197052.03 108951.20 81249.46 87480.06 123655.04 126680.77 283883.56 108648.92 124649.48 174499.59 97225.71 105998.08 164863.08 191563.41 190201.03 161752.06
alpha-D-Galactosyl-N-acetyllactosamine
416429.00 219257.00 258334.00 187464.00 60897.00 158465.00 29191.00 111986.00 97492.00 47925.00 157536.00 97493.00 321174.00 97669.00 134914.00 241107.00 253287.00 151771.00 231354.00 183263.00 219800.00 171313.00 190748.00 363629.00 235103.25 159449.69 215530.89 259866.03 177606.50 92740.84 155128.47 164923.39 220494.03 82839.73 124753.62 187906.39 89865.00 216127.73 155274.75 83298.92 142838.39 259268.78 335287.53 349788.69 - 62048.38 98208.00 41458.82 - 365969.62 332541.94 393471.88 194454.47
alpha-Irone
21837.00 73643.00 32257.00 - 62353.00 59811.00 64792.00 59757.00 65171.00 31232.00 30626.00 - 153788.00 146152.00 181691.00 163938.00 37245.00 112279.00 174964.00 100549.00 24699.00 72190.00 85290.00 58092.00 132654.38 170454.56 193650.80 129552.46 44689.53 89904.93 133453.92 171995.56 45888.04 75025.23 56232.23 31589.92 62500.00 40924.77 65614.69 62245.14 42876.49 26309.38 57661.59 92756.96 - 19143.17 92955.30 - 35898.89 - - - 56769.91
alpha-Methylstyrene
- - - - - - - 52937.00 - - - 48095.00 - - - - - - - 28565.00 - 41192.00 - - - - - - - - - - 26292.76 - - - 29806.00 15290.00 - - - - - 64848.67 - - - 20573.22 - - - - -
alpha-Ribazole
51547.00 270620.00 94942.00 88893.00 190752.00 128543.00 127577.00 174215.00 101713.00 223484.00 127756.00 65967.00 231324.00 226491.00 113777.00 146465.00 125253.00 111021.00 334222.00 208645.00 202353.00 52888.00 270272.00 244741.00 17571.11 363752.19 393167.12 148493.09 104354.68 410842.31 368979.56 261340.05 254450.61 309811.19 118356.84 265285.31 86937.00 100037.95 281586.78 582102.31 267284.44 80800.44 47363.70 395886.38 112607.59 111564.33 228961.38 182752.97 182824.12 261868.67 302735.69 287124.53 282433.03
Ammodendrine
839328.00 499210.00 665343.00 309131.00 798370.00 1540594.00 1066044.00 1181584.00 1697777.00 964505.00 1560434.00 916079.00 2037995.00 1656879.00 2072361.00 2289739.00 3471643.00 3225431.00 3170099.00 3521929.00 3369765.00 2878282.00 3574619.00 3427232.00 2612817.25 1660304.25 2417586.50 2013423.38 2865650.25 - 3155163.25 2852803.50 3175070.25 1931542.12 2600007.25 2721426.75 590913.00 934669.56 802536.12 440264.12 702471.31 855735.69 1045263.62 969827.31 853671.31 1516077.38 1357385.88 986407.31 2332139.00 2379645.75 2362009.25 2488248.50 2111111.50
AMP
65583.00 51671.00 83615.00 56445.00 67841.00 90626.00 386057.00 164429.00 71420.00 58106.00 346478.00 332915.00 276244.00 210123.00 377994.00 487853.00 431352.00 423411.00 747717.00 836231.00 575976.00 648277.00 1079192.00 1128964.00 212731.55 130435.38 609266.69 231773.41 297956.59 315335.19 1121563.62 796411.06 284471.44 118283.73 1173590.25 981591.00 32728.00 67815.20 277021.75 40688.20 47151.64 51514.80 110530.12 258863.73 45378.52 75823.16 812617.56 585385.12 609166.44 1058831.50 922555.56 946921.69 431568.00
Apigenin
- - - - 8049.00 13480.00 - - 13068.00 - 20839.00 - 56132.00 26170.00 51194.00 49575.00 79747.00 75490.00 89996.00 65424.00 73912.00 92071.00 102108.00 94567.00 45621.30 34859.13 50636.39 36709.04 57780.12 45044.76 89962.95 70229.21 52651.82 26285.26 51120.98 46779.63 - - - - 10137.46 11551.00 13087.31 - - 14666.17 18710.44 8348.65 70515.94 133704.00 127307.17 117462.27 42492.45
Apigenin 7-O-beta-D-glucoside
239824.00 203012.00 124825.00 34214.00 57752.00 86005.00 - 56776.00 137760.00 97601.00 267007.00 131886.00 14168.00 - - 17606.00 113828.00 40967.00 25650.00 56445.00 116736.00 244390.00 229215.00 293358.00 62347.09 39660.71 14974.89 37059.47 115056.09 78445.03 57215.27 51262.74 626005.00 321742.78 198979.09 399301.22 35037.00 219247.02 71251.37 10070.13 61358.96 157752.48 124042.24 69564.05 26479.83 93455.78 182243.72 64160.69 417516.31 793304.44 736615.50 783120.06 168193.08
Apigeninidin
25722206.00 16963304.00 15738957.00 8957549.00 24627126.00 36410556.00 17582812.00 22372662.00 38591960.00 26154238.00 40614912.00 25614798.00 38088364.00 33349708.00 30349224.00 29331218.00 59057228.00 54664892.00 57616812.00 63442816.00 72175120.00 83894952.00 88744904.00 85968592.00 27829704.00 26691466.00 42911788.00 35235956.00 67311296.00 53674812.00 75756472.00 64412724.00 89058104.00 57491548.00 76856560.00 79160016.00 12351351.00 27850010.00 16685965.00 7902099.00 10356976.00 14428983.00 17279262.00 21158760.00 18032440.00 32119932.00 35097640.00 23869342.00 71290360.00 81815368.00 77709248.00 85125896.00 51307828.00
Asn-Glu-Ile-Pro
30986.00 - - - 30614.00 64372.00 31791.00 58796.00 76148.00 41400.00 77771.00 40214.00 82336.00 80102.00 100894.00 97573.00 112515.00 123829.00 149762.00 112923.00 127135.00 126902.00 143443.00 136014.00 83254.20 61369.89 86174.52 78291.95 97200.90 93720.48 171845.97 115814.47 106093.49 74952.73 107896.59 114861.49 21730.00 45357.13 28291.85 22425.52 27623.45 31254.94 52710.18 70179.32 25755.27 74915.55 83657.34 44527.26 78009.24 103679.12 87784.41 84099.38 80297.92
Asn-Leu-Pro-Pro
104302.00 218804.00 147733.00 121825.00 129623.00 133794.00 74085.00 131101.00 123153.00 114515.00 109648.00 223658.00 288255.00 275608.00 292924.00 290363.00 125981.00 173009.00 343389.00 212629.00 309503.00 829861.00 540814.00 637350.00 172411.91 116900.98 191240.94 170744.45 152321.36 235452.70 281417.91 505128.78 118462.47 168014.34 237439.75 230567.22 73624.00 136950.91 139769.19 81064.91 96493.64 107392.78 120560.09 377938.28 108783.45 157709.41 404805.62 113268.34 177589.30 264660.62 304857.84 175844.16 210360.16
Asn-Pro
2381313.00 2000063.00 1708617.00 1171355.00 3539021.00 5615985.00 2989730.00 3553985.00 4810191.00 3796025.00 5641509.00 3266122.00 8912683.00 7080611.00 7006085.00 7248632.00 9731444.00 8586899.00 11085951.00 2766938.00 8459217.00 13213465.00 11034681.00 11139673.00 6997777.00 4852268.00 6979160.50 6501130.50 8530777.00 7780828.00 9427138.00 8223382.00 11876078.00 7050196.00 8217299.50 10023341.00 2053123.00 3495586.75 3061532.25 1603609.00 1950302.25 3141866.00 3092641.50 4322923.00 2625279.00 5050083.50 5321619.50 3452747.50 10241466.00 22881916.00 22059590.00 20405466.00 8281991.00
Asn-Thr-Pro-Pro
- 20796.00 22887.00 - 58835.00 80442.00 99966.00 76475.00 77885.00 63872.00 82691.00 30538.00 150163.00 135526.00 215808.00 196790.00 234391.00 184674.00 245950.00 210025.00 182024.00 190042.00 207240.00 166873.00 136189.38 106053.71 188022.08 153097.66 142607.14 124110.58 204381.92 172030.89 130758.60 70868.53 142618.38 119274.00 29200.00 37930.03 54429.34 29682.41 32200.65 56333.60 79367.90 54735.07 29879.01 72610.22 60051.34 43220.29 102049.11 130223.42 143430.41 120511.89 122621.70
Asp-Arg
144277.00 50604.00 167316.00 25048.00 234523.00 476127.00 231537.00 325216.00 229595.00 118807.00 437651.00 105010.00 346932.00 440375.00 555851.00 509371.00 1599314.00 1541364.00 987253.00 1289169.00 1231493.00 807558.00 993067.00 880500.00 584251.88 407922.72 547020.38 635128.44 1103620.38 823545.81 978959.06 867884.31 821107.81 470016.59 645364.50 679942.62 132403.00 281570.88 139152.67 87974.09 177233.28 326405.56 344023.75 230252.73 108951.70 665899.12 170460.20 324138.50 564803.38 619001.50 620407.44 667154.00 565497.06
Aspartyl-L-proline
144254.00 110198.00 106372.00 81543.00 175280.00 247637.00 125532.00 188135.00 205462.00 152581.00 191469.00 143657.00 298997.00 370402.00 263582.00 338938.00 433580.00 416354.00 649709.00 443210.00 443761.00 380457.00 421715.00 444219.00 299593.62 236943.97 315496.84 368298.06 345499.81 391514.19 506112.94 457211.53 366648.59 270871.28 334678.56 379053.72 103500.00 148115.08 130870.68 88170.88 96593.27 149509.75 160189.56 266718.69 128844.33 234390.03 198594.27 151537.23 149815.62 314132.12 347881.22 367989.03 324509.66
Asp-Cys-Cys-Ser
39854.00 44700.00 50558.00 44662.00 35250.00 68672.00 58610.00 71930.00 73168.00 60143.00 39467.00 60856.00 103022.00 94064.00 133345.00 105773.00 148418.00 116957.00 160822.00 132066.00 105319.00 156180.00 109072.00 106310.00 103239.48 91419.09 139343.08 120493.29 96263.90 113581.48 146182.38 121984.50 98267.95 65639.16 72372.86 92259.84 48410.00 43249.54 56092.92 48654.70 88737.32 95799.92 114350.40 112811.88 59613.29 66650.91 74001.05 51201.12 213111.67 203895.06 176259.52 201917.19 121496.01
Asp-Ile-Ile-Trp
96562.00 306709.00 124798.00 479540.00 83226.00 144989.00 100976.00 120091.00 165750.00 121257.00 103721.00 114007.00 380698.00 304851.00 303984.00 348401.00 75262.00 189517.00 366691.00 137828.00 62042.00 286547.00 135644.00 165200.00 171023.34 238104.03 269973.84 214799.42 86639.24 131612.81 145379.56 232637.92 126754.38 154487.70 116660.99 170482.59 97759.00 82454.16 215021.81 235329.38 150683.12 150858.19 153292.23 557194.69 253148.08 46976.05 210696.12 31470.40 160358.23 269725.22 204210.52 222989.78 245477.50
Asp-Leu-Gln-Pro
215623.00 141784.00 123514.00 67043.00 198266.00 253729.00 223511.00 258856.00 218326.00 147278.00 266350.00 211002.00 402656.00 294017.00 478482.00 688147.00 438321.00 436490.00 423571.00 665719.00 276623.00 288110.00 429649.00 471790.00 576768.50 424097.81 788321.75 635905.25 451981.16 443999.34 717229.94 707776.81 358862.38 275890.44 275366.56 445038.62 117088.00 195448.14 177239.72 104117.29 133506.53 213643.09 342180.75 234330.19 47299.90 147443.64 227436.69 125089.62 391364.59 456108.41 493530.00 530612.50 367013.38
Asp-Leu-Pro-Pro
269335.00 245153.00 272397.00 103914.00 728647.00 1041895.00 545082.00 664947.00 691636.00 494411.00 1045504.00 523443.00 2472018.00 1853142.00 2863889.00 2589688.00 4392397.00 3600177.00 2918498.00 3634049.00 3323800.00 3089730.00 3850464.00 3198718.00 2678745.00 1778974.25 2733236.25 2559204.00 3136110.75 2291058.50 3510894.25 2651196.25 2388470.25 1074360.62 2081218.62 2036031.00 376572.00 572184.50 565802.38 266441.97 778306.25 1017926.62 1397452.12 1102402.25 369978.22 1196547.38 907930.62 795191.00 3355729.00 7399174.50 7460723.00 6990132.50 2131060.50
ATP
73646.00 43277.00 82160.00 24543.00 46682.00 92594.00 59395.00 59290.00 91897.00 46400.00 79174.00 29819.00 273689.00 229392.00 271337.00 214232.00 277526.00 364226.00 301681.00 234220.00 305730.00 228611.00 350433.00 241399.00 229227.33 168898.42 191906.61 158657.58 182492.06 181870.42 226670.84 186785.66 119712.48 72960.27 93056.89 144982.88 20588.00 37942.07 24888.19 20931.85 76228.82 85679.43 98633.58 77578.43 42052.26 118088.76 83557.05 56144.29 204324.14 322878.84 368798.88 345310.50 199852.83
Balofloxacin
52559.00 25461.00 60829.00 21863.00 74693.00 78043.00 112401.00 125535.00 95407.00 87758.00 158764.00 92065.00 147332.00 141050.00 195411.00 181672.00 412885.00 428190.00 561094.00 464015.00 446959.00 406291.00 559246.00 449092.00 126224.08 99510.76 182354.08 160166.62 270997.97 258009.55 525811.50 486644.72 276574.97 183915.31 312966.97 318165.56 25118.00 34409.90 74745.26 36309.69 26740.17 52880.57 82164.86 96747.57 75007.98 132402.94 207770.58 161889.70 217488.50 233086.88 267529.62 227686.34 242848.89
Bendiocarb
59403.00 36841.00 40355.00 - 63158.00 102826.00 104424.00 68523.00 89403.00 105562.00 81935.00 125266.00 170892.00 106644.00 173260.00 196802.00 121421.00 173198.00 381800.00 178673.00 135232.00 407236.00 187317.00 176099.00 104650.65 79381.98 215793.75 139435.22 104011.71 107967.99 124110.48 240832.84 166524.98 113692.87 145730.08 162870.73 21687.00 63603.61 75349.38 35457.41 - 50934.93 62622.03 114517.83 46221.52 78557.30 126194.72 52413.57 87995.94 273866.03 235967.45 277504.12 156244.45
beta-D-Glucosyloxydestruxin B
149225.00 110556.00 93730.00 34521.00 175207.00 269807.00 164530.00 165708.00 267953.00 176000.00 253225.00 170527.00 564494.00 400733.00 451841.00 520150.00 670171.00 792810.00 552694.00 667016.00 740144.00 744874.00 646073.00 690232.00 497113.25 326238.03 497353.59 360523.31 688242.81 533350.69 714546.44 631944.69 727667.75 339872.22 462011.31 522595.06 93674.00 189682.52 131793.91 76625.52 139093.42 163594.08 194420.28 216613.03 153314.72 286577.75 250133.95 158248.52 498767.50 1047018.19 1055874.75 1038364.12 395010.81
Betaine
3180635.00 4503049.00 3870513.00 5177752.00 3813594.00 4415060.00 3950092.00 4353898.00 3851415.00 4369093.00 4720815.00 4908799.00 5203214.00 4192045.00 4180397.00 4471979.00 3713798.00 3492805.00 4104001.00 4285860.00 3093305.00 5424237.00 4586845.00 5524368.00 4159416.75 3871963.75 4494311.50 4779164.00 3661811.25 4147935.00 3925427.00 4773224.00 4902553.00 4460062.00 4636318.00 5454970.50 3712264.00 3879171.25 5167450.50 4624611.50 3823859.75 4609239.00 4243108.50 7319741.50 3408905.25 3890913.25 5426760.00 4136473.25 7762689.00 20472948.00 21381342.00 20930398.00 6366906.00
Bicozamycin
- 730787.00 81723.00 7181157.00 133631.00 104803.00 636927.00 105361.00 115261.00 386416.00 69538.00 424556.00 5682761.00 8434392.00 1803555.00 2116506.00 77270.00 569233.00 5147852.00 303834.00 202065.00 1094559.00 220444.00 270589.00 413897.41 762830.31 2167056.25 374768.72 56676.41 441126.53 343180.97 765144.62 127142.83 211034.34 91355.20 154619.38 165263.00 82958.13 524889.69 2324162.00 437138.62 185847.56 267777.00 2236489.00 4801050.00 212376.81 329278.31 58939.25 1396639.62 1640827.12 1571620.75 1608179.38 1169918.88
Brunfelsamidine
138444.00 75650.00 71535.00 29551.00 22396.00 67079.00 22623.00 32690.00 73768.00 27569.00 63110.00 42391.00 52624.00 32933.00 27096.00 32086.00 52855.00 28967.00 30735.00 25631.00 37843.00 46356.00 68639.00 79726.00 70963.14 33903.03 28008.70 91263.17 42126.26 30432.83 84765.53 30458.41 118661.21 75912.15 77182.55 77135.95 55305.00 113080.85 54740.88 21981.61 47021.78 69885.07 57815.08 111553.14 27598.13 63778.92 59271.05 43959.36 63643.47 58933.93 68375.57 61420.43 70622.33
butyrylcholine
509787.00 1597509.00 614850.00 1904473.00 360280.00 479098.00 349971.00 524609.00 503870.00 452424.00 371872.00 478832.00 1466004.00 836399.00 1183212.00 1154766.00 213251.00 494877.00 1123783.00 471631.00 216391.00 889275.00 485159.00 688996.00 668353.19 988857.69 1210343.38 1133058.88 325177.84 486913.25 501159.78 1035704.56 468446.94 469121.62 400323.03 619033.31 406079.00 421587.19 1086175.38 1015788.69 657026.00 696940.75 742790.81 3192025.25 543030.00 149612.12 722416.38 117458.27 493692.94 976485.00 1125342.38 1017411.94 875020.19
Calystegine C1
15697.00 12911.00 - - - 15478.00 - - - - 21097.00 14864.00 25147.00 - 56096.00 24702.00 30524.00 29632.00 - 32714.00 - - 27312.00 55502.00 57995.24 25709.07 33175.48 28175.81 25138.56 31175.73 26284.63 24778.77 33819.52 17954.77 - 27633.54 - 17098.54 17493.06 - - - 19736.60 - - - 18137.37 - 41044.88 98345.67 102593.98 81424.30 18670.85
(-)-Camphor
1195518.00 1585196.00 1727079.00 1037727.00 2179796.00 2397319.00 2255709.00 2196350.00 2158772.00 2135624.00 2175450.00 2060942.00 1409528.00 1311970.00 1588732.00 1750087.00 1545517.00 1794268.00 1104350.00 1651932.00 1665322.00 1361135.00 1823690.00 1600806.00 2037932.38 2020459.50 1696776.62 2010292.00 1576214.00 1631701.38 1709451.25 1493047.50 1621084.00 1840971.75 1752250.00 1847903.12 1912860.00 2081117.62 2167686.25 2065655.62 1719646.12 1621512.25 1680625.00 1652820.00 1025764.81 2052385.12 1812647.62 2222741.25 1739698.75 1827538.75 1729247.50 1746635.12 1736102.50
Caproylcholine
13429.00 29227.00 14698.00 33922.00 85191.00 137879.00 118105.00 105846.00 107810.00 132135.00 64389.00 65019.00 165327.00 201135.00 146596.00 134108.00 90887.00 152439.00 231404.00 120805.00 114810.00 161856.00 115204.00 125688.00 195904.97 121672.36 165561.55 143181.16 103790.77 131995.78 146199.89 181890.28 130295.16 134989.77 142423.98 116321.37 51789.00 51074.71 65060.19 70201.16 52298.70 39648.48 79383.56 203328.22 125479.37 124105.43 112768.57 78852.78 123698.13 122211.62 127629.73 128668.82 124280.55
CAPS
1350697.00 1235423.00 1442503.00 729931.00 1921945.00 2459236.00 1635360.00 1890609.00 2109066.00 1668633.00 2545801.00 1576461.00 9354871.00 7943120.00 10066558.00 10388284.00 8315801.00 8497153.00 6971706.00 8009714.00 6038998.00 6882979.00 6526416.00 6279268.00 7055733.50 5557992.00 8419587.00 7302777.50 7053146.50 5763926.50 7166643.00 6243028.00 5824467.50 3575236.25 4653960.00 5292575.00 1245001.00 1912737.12 1755560.88 1037787.69 2812618.25 3894746.75 4772568.50 5167686.00 1350434.88 3431446.00 3013716.50 2395083.75 8777052.00 12403332.00 12492002.00 13035856.00 5545516.50
carbidopa
13288.00 6974.00 11154.00 - 47728.00 71134.00 59152.00 46472.00 73187.00 51555.00 83780.00 47549.00 77731.00 66205.00 96080.00 102212.00 190646.00 226227.00 211295.00 175847.00 266403.00 242491.00 284143.00 261037.00 78596.70 57557.99 94347.55 75992.62 152997.84 136706.11 197349.88 171203.78 172193.12 103823.24 165618.72 165787.31 20947.00 27752.30 26751.17 18019.79 20595.03 26310.32 30218.54 28491.00 39166.17 72175.03 56630.82 45415.97 93455.52 98946.14 108130.80 98397.66 119144.29
Cardiospermin
- 72064.00 - 534215.00 31928.00 23175.00 173790.00 32818.00 63532.00 100000.00 - 145548.00 410302.00 452319.00 264698.00 233840.00 - 114515.00 358732.00 35673.00 - 132439.00 24363.00 54945.00 62699.39 168921.05 286238.03 55106.43 - 47515.34 44738.57 207686.42 25048.27 41631.65 - - 24492.00 - 75337.28 300684.41 69871.66 30594.46 42544.64 369907.56 369229.84 62135.46 156369.45 - 60116.89 116317.92 185085.67 115715.46 127490.77
Casimiroedine
19655.00 11319.00 22824.00 12470.00 43105.00 70489.00 76697.00 58005.00 67784.00 43932.00 58765.00 41734.00 150980.00 276535.00 167589.00 122338.00 162002.00 403028.00 144265.00 119310.00 673800.00 246689.00 462909.00 227100.00 130210.86 62968.16 109869.89 141538.12 238523.25 133400.42 234065.08 114191.64 123225.99 90105.71 151354.66 234689.48 30033.00 59710.32 33208.08 21114.93 21525.06 17149.75 36492.80 43156.98 38938.81 96554.35 87520.20 61778.42 344988.44 692250.19 639139.62 646059.62 229415.08
CDP
62756.00 52036.00 66011.00 42284.00 47584.00 56846.00 51548.00 59028.00 35553.00 55031.00 68665.00 52953.00 44827.00 37770.00 40204.00 48378.00 48334.00 43361.00 49829.00 41733.00 49384.00 50492.00 48300.00 67810.00 60609.89 39866.25 43186.50 53162.99 58554.50 41271.82 51101.73 39384.92 52652.40 63231.19 63784.61 63602.26 59911.00 72374.16 45037.34 52724.03 58547.22 56842.46 48730.86 88757.30 59231.27 52943.67 48308.86 56058.21 42374.14 93765.71 97097.54 113571.57 81275.98
CDP-DG(16:0/18:2(9Z,12Z))
63551.00 56217.00 65165.00 20592.00 105880.00 160796.00 90812.00 102214.00 97018.00 89938.00 116757.00 65947.00 177801.00 145406.00 194719.00 184608.00 207717.00 193550.00 185302.00 236285.00 151889.00 152696.00 211671.00 162765.00 219601.73 186987.34 268707.03 215130.44 258029.12 206426.95 333690.28 338813.94 155040.91 91868.84 138668.05 186170.08 46575.00 89403.15 59190.64 41318.43 75214.20 85520.90 123446.02 121094.39 40482.89 70845.64 86548.65 66551.67 131033.87 227805.58 240934.66 254357.09 156215.12
CDP-N-dimethylethanolamine
220868.00 120520.00 265374.00 82263.00 147987.00 353323.00 188493.00 229599.00 211787.00 103367.00 205490.00 103114.00 493936.00 529580.00 637863.00 549671.00 1231854.00 1379851.00 663067.00 914157.00 901785.00 643103.00 813352.00 652878.00 579756.25 489766.69 577899.19 535581.25 931396.19 810717.56 868024.38 715921.06 523005.31 255346.95 364556.97 492898.75 105174.00 160003.58 120621.52 106958.47 146210.75 201264.95 304944.19 213229.98 84631.49 325932.47 172805.56 172476.27 565519.81 820372.88 827930.62 796298.62 530494.50
CHAPS
342361.00 323167.00 279901.00 297227.00 261605.00 433283.00 154704.00 386084.00 424916.00 308317.00 477796.00 296581.00 389469.00 293771.00 255159.00 347278.00 471808.00 342767.00 546230.00 514645.00 362240.00 609776.00 598498.00 761947.00 356341.50 402897.69 345768.34 380858.50 527228.31 365261.09 478884.41 511435.66 647375.75 601305.69 602544.31 782342.50 192590.00 330465.53 299427.06 230992.25 148726.48 322615.47 319588.91 468244.75 242117.89 376968.41 448086.81 256727.39 363660.31 848436.25 827924.31 960232.06 519921.69
Choline
167527.00 93624.00 132148.00 71259.00 143223.00 182638.00 109918.00 121282.00 127720.00 106757.00 141803.00 131298.00 217598.00 198052.00 267857.00 326656.00 223589.00 236283.00 161630.00 343591.00 142365.00 141667.00 234101.00 265866.00 341226.78 226379.25 374980.09 360880.56 293603.88 252514.92 309668.41 308749.97 237930.45 189493.81 219077.55 221735.89 86932.00 154458.28 113997.99 70671.92 97229.09 174801.80 222084.95 172633.11 77487.33 100450.45 143611.58 126079.42 473762.94 442094.00 446103.25 456937.31 244669.95
Choline phosphate
191920.00 823413.00 336931.00 173483.00 646031.00 389032.00 358194.00 697043.00 445940.00 559141.00 419240.00 193592.00 350211.00 378109.00 276926.00 440566.00 438948.00 276432.00 407333.00 757771.00 648064.00 163871.00 792552.00 923626.00 67361.92 1081169.50 874212.81 576143.38 355100.50 1289627.38 1146164.88 770689.56 815998.38 1053287.25 402205.44 1021233.88 357371.00 395682.41 1094950.12 1596603.00 895292.12 333744.78 181376.16 1699724.88 456121.44 332630.44 794109.12 897513.62 425585.19 783542.19 796156.06 819875.62 804236.44
Chrysophanol 8-O-beta-D-glucoside
62260.00 34934.00 57493.00 - 136815.00 230544.00 125567.00 178036.00 197715.00 112976.00 225735.00 126133.00 234374.00 228391.00 236747.00 282643.00 583756.00 562281.00 332374.00 566605.00 645340.00 363377.00 619458.00 527281.00 301641.62 185283.77 287356.31 275326.19 600991.75 486308.12 603001.56 462283.62 431499.81 208376.66 329803.81 437738.81 65381.00 135142.05 82892.84 36122.69 73920.26 107041.42 169100.34 125599.02 87950.16 221637.72 176294.70 161174.11 325359.16 308479.41 298735.12 312471.88 298287.84
CL(1^-[18:2(9Z,12Z)/0:0],3^-[18:2(9Z,12Z)/0:0])
739566.00 563170.00 438170.00 324161.00 247324.00 489189.00 157190.00 375125.00 414191.00 240992.00 393927.00 264500.00 466087.00 299640.00 434015.00 527201.00 560114.00 371125.00 438231.00 490388.00 442709.00 440873.00 545879.00 848808.00 563803.12 490965.81 514862.62 688546.62 510996.38 350849.09 470317.03 475026.81 658968.00 484530.28 443064.03 704135.44 210673.00 512266.72 366987.34 223570.06 308864.28 453345.66 517925.66 826559.00 166910.45 245288.17 398384.22 197550.78 689714.50 1936746.75 1969219.88 1985525.12 597435.88
CMP
32954.00 58123.00 47828.00 85711.00 41341.00 48563.00 35088.00 46679.00 50419.00 45180.00 36028.00 39316.00 198284.00 96448.00 88980.00 92682.00 49812.00 72055.00 101971.00 96124.00 21151.00 117523.00 61320.00 76659.00 55815.30 65578.98 85082.01 68336.98 47734.27 41450.86 56173.76 75107.16 44623.20 54656.05 50090.87 65921.80 18487.00 32102.17 58806.98 62031.50 28684.23 51998.88 40382.85 193189.91 36747.57 18258.35 62600.23 16751.36 109957.30 149645.45 123885.93 133723.39 85723.23
CoA
65427.00 62906.00 47704.00 59964.00 61590.00 86119.00 40998.00 74787.00 66013.00 59873.00 81893.00 65406.00 76512.00 64681.00 75730.00 75258.00 100044.00 81296.00 86707.00 83354.00 96506.00 94627.00 109253.00 118821.00 71361.45 65424.92 78623.95 71747.14 93633.62 87914.15 92732.40 79976.59 104699.64 78909.22 75245.37 88554.19 62798.00 68930.80 60094.86 74922.52 70707.51 75644.16 64825.55 86375.72 41763.58 70505.05 90806.46 61704.11 84968.05 107473.49 107240.38 107482.91 91973.55
Coformycin
61898.00 38351.00 46296.00 19412.00 86476.00 124051.00 55563.00 70335.00 113563.00 74360.00 121208.00 68062.00 175580.00 163339.00 184219.00 186426.00 357206.00 311263.00 196239.00 248494.00 351536.00 238576.00 266937.00 238571.00 184896.09 118204.17 188554.80 159999.75 197818.91 155818.98 220802.52 192379.59 286769.53 119230.77 186612.83 200719.09 41506.00 89870.97 54384.60 23501.36 60086.47 74498.12 98380.75 83898.64 50003.51 111273.57 99428.60 74374.99 185977.00 344843.31 360043.69 344599.94 162726.88
Cohibin A
- 73470.00 - 572368.00 74690.00 71137.00 439721.00 55523.00 81537.00 207968.00 26072.00 255829.00 572953.00 320673.00 409894.00 310710.00 - 164715.00 498824.00 89396.00 21915.00 242822.00 78441.00 47082.00 81898.85 171406.17 361878.47 119924.19 - 50988.21 99359.77 315485.75 - 32172.22 18616.98 21601.12 76538.00 37481.39 178655.53 699247.81 95200.24 21755.88 60635.59 372919.59 452112.44 18137.25 91556.66 - 139373.92 264107.81 222042.36 211683.94 166632.56
Cohibin C
19682.00 - - - 50587.00 42104.00 27134.00 35480.00 59215.00 21166.00 55757.00 27223.00 73692.00 68445.00 83081.00 160848.00 168598.00 158703.00 116412.00 140524.00 78501.00 79926.00 79622.00 76347.00 110268.31 60025.22 147059.05 116772.55 92842.12 122844.53 189603.69 125650.79 95178.95 60506.48 70038.02 80498.67 - 19789.74 30336.34 - 23266.18 34181.65 63331.17 71086.66 - 32706.68 23813.03 - 65638.98 117308.41 96090.70 115811.08 54714.64
Cordycepin
9338.00 8470.00 7936.00 - 17590.00 31511.00 - 12091.00 17999.00 32249.00 49331.00 27396.00 66455.00 15845.00 43073.00 20884.00 65931.00 36008.00 49355.00 67918.00 42625.00 57129.00 50231.00 41381.00 51728.60 17549.04 32552.88 31705.51 53435.38 33780.61 46343.17 24973.32 45057.62 24928.35 22024.39 23902.78 10462.00 9060.45 10773.45 - 15234.71 14591.81 15492.38 - - 27362.30 16713.70 - 85695.62 132047.45 137807.77 125587.72 57839.14
CPPU
45779.00 35182.00 35541.00 13562.00 99730.00 152401.00 98214.00 102950.00 108353.00 76017.00 121035.00 70940.00 217092.00 188845.00 200836.00 239992.00 509561.00 474694.00 249107.00 562343.00 437391.00 294752.00 444606.00 401682.00 335809.94 176015.00 297184.59 248409.34 472211.53 353606.72 457876.31 402124.72 301295.91 132464.00 232903.02 276541.41 48662.00 84891.07 55338.12 29375.44 93538.48 109289.90 183450.16 121327.48 42179.90 85221.81 87631.05 99835.58 291359.78 508361.25 489106.78 525242.50 236647.58
CPX
1419818.00 1062037.00 925642.00 614939.00 2124224.00 3165524.00 1797705.00 2193139.00 2683184.00 2224077.00 2581829.00 1700887.00 4891448.00 4091186.00 4595961.00 4831734.00 7467549.00 6872000.00 6360618.00 7156798.00 6073618.00 7917439.00 7545146.00 6916835.00 4402579.00 3026165.75 5089424.00 4020581.00 5405016.00 5545543.00 7122104.50 6431762.50 6788214.00 4212066.50 5114574.50 5766658.50 1117065.00 1885255.25 1429251.12 859871.50 1336940.00 1758112.50 1998360.12 2491572.25 1495667.25 2786693.50 2697756.25 1947718.88 6955840.50 13348053.00 15289154.00 14075153.00 4249734.50
Creatine
535874.00 285263.00 362502.00 141716.00 397889.00 577358.00 287433.00 403738.00 475793.00 238536.00 491463.00 259624.00 717889.00 775743.00 986809.00 1017400.00 1236545.00 1057075.00 1010725.00 1415541.00 1032981.00 650872.00 1214035.00 1077299.00 1196656.12 805559.31 1100838.50 1201250.88 1153103.75 834440.88 1295063.75 1123252.62 887498.69 463826.38 589384.75 804948.06 239116.00 490621.50 337806.28 149404.33 337141.66 407576.66 524768.81 464156.75 168402.59 300582.31 342736.81 211554.20 898773.69 528368.31 564916.94 597546.50 838023.81
CTP
233799.00 104214.00 128744.00 64338.00 172958.00 236192.00 135252.00 202717.00 176657.00 139516.00 228684.00 160072.00 308140.00 222204.00 322342.00 362552.00 345316.00 310434.00 333930.00 437128.00 220829.00 189236.00 314325.00 342806.00 367226.16 323564.16 461119.62 441092.56 372689.69 326428.00 370667.50 402595.28 288256.69 211229.53 195022.23 257186.92 113145.00 220316.91 147377.31 84455.77 134339.50 155762.88 227695.41 201504.03 68945.50 93404.95 146906.88 104760.73 281885.09 499069.75 482418.81 553844.19 278682.50
Cuauhtemone
25550.00 20048.00 - - 114276.00 117105.00 95764.00 87372.00 132359.00 81425.00 83642.00 68031.00 140979.00 163146.00 147726.00 188500.00 205598.00 224341.00 183835.00 188899.00 196903.00 188126.00 171729.00 139229.00 137031.47 118233.48 165500.39 158225.16 171676.39 154844.38 160935.70 191077.88 166630.58 122198.93 145906.25 154241.75 37694.00 62783.01 63403.55 35147.72 92164.31 67353.63 78969.91 70501.56 78979.98 118568.32 88879.90 38542.48 117922.72 143802.69 126794.70 107891.80 124514.99
Cumene
312691.00 1563303.00 451011.00 413099.00 1307359.00 638862.00 866558.00 1309537.00 687011.00 1367276.00 662806.00 452102.00 1681819.00 1349104.00 427987.00 724903.00 624834.00 507883.00 1974916.00 1418853.00 1508724.00 437290.00 1653978.00 1763251.00 145131.95 1812185.88 1818004.38 902514.25 523494.94 2172034.50 2200995.25 1328245.88 1466770.00 1920896.88 538738.62 1756654.62 605244.00 650035.62 1721998.88 2450638.50 1559135.25 323047.72 268050.53 2025035.12 1257970.62 349806.16 1254379.62 1260673.00 627050.38 1118271.50 1197490.62 1203718.62 1222569.62
Cyclo(deltaAla-L-Val)
242894.00 154046.00 168646.00 124542.00 53493.00 92243.00 53262.00 87666.00 171477.00 101337.00 176267.00 139319.00 84227.00 79581.00 49151.00 93152.00 145526.00 79556.00 112303.00 114610.00 105291.00 112527.00 204913.00 231490.00 145807.36 118014.91 89658.62 141001.19 142879.55 105461.80 127822.75 131801.59 198292.02 178590.23 150243.72 186427.91 92837.00 197052.03 108951.20 81249.46 87480.06 123655.04 126680.77 283883.56 108648.92 124649.48 174499.59 97225.71 105998.08 164863.08 191563.41 190201.03 161752.06
Cys-Cys-Cys-Gly
- - - - - - - - - - - - 23144.00 30301.00 - - 129195.00 247148.00 124086.00 115638.00 398120.00 138052.00 314553.00 222924.00 - - - - 86998.59 37408.59 75243.74 25942.47 24226.49 45269.51 60501.93 143676.94 - - - - - - - - - - - - - 56617.70 57537.06 64340.41 103198.99
Cys-Gly
75431.00 50906.00 63158.00 26360.00 106885.00 135648.00 81406.00 121620.00 160073.00 88854.00 103347.00 76339.00 61980.00 149825.00 189794.00 139754.00 272539.00 264447.00 244147.00 248879.00 172646.00 137408.00 112510.00 228538.00 141588.77 120349.67 170749.19 99167.23 171181.42 219947.64 162024.73 142021.27 248208.11 174593.62 237220.95 196259.36 61968.00 78410.91 66481.93 45416.07 63845.74 77942.95 76216.95 94440.51 73573.18 76104.53 66366.95 54047.54 214362.70 203723.86 195300.61 189436.34 133684.70
Cys-Lys-Gly-His
195708.00 446981.00 295368.00 423045.00 344515.00 360327.00 475120.00 380634.00 371908.00 471396.00 410586.00 527398.00 508867.00 476101.00 470701.00 460909.00 288712.00 399080.00 445270.00 361911.00 286489.00 540844.00 402067.00 363779.00 456661.69 408931.31 565924.31 438179.78 283909.09 381625.62 400097.66 484051.78 337680.25 379332.19 415421.66 441680.97 384821.00 312139.44 489898.00 588987.50 360856.12 403833.53 419471.38 373287.12 312137.72 320902.34 475158.84 299515.16 235865.97 916844.44 987818.50 941158.38 415986.12
Cytidine
870205.00 1012969.00 1104975.00 1314823.00 876856.00 850832.00 1141528.00 919037.00 865145.00 1069668.00 1033279.00 1192931.00 885747.00 927978.00 783088.00 939826.00 841905.00 683983.00 814252.00 773009.00 908808.00 806835.00 835593.00 864586.00 931409.38 1029207.12 798904.44 1077685.12 783531.25 824918.56 848742.50 901661.44 1000144.69 1135386.38 1069398.25 938776.31 1059011.00 1018765.69 1063444.75 1170220.25 1077917.88 1162073.75 1057047.38 1009848.94 1057351.50 938157.12 1144613.88 1185196.75 320873.34 947566.31 1132396.88 1262911.50 1125146.62
D-4-Hydroxyphenylglycine
95173.00 115547.00 135127.00 75371.00 172116.00 163464.00 177598.00 156380.00 167626.00 146984.00 143870.00 156025.00 128533.00 94555.00 105728.00 125281.00 128517.00 132866.00 86773.00 132598.00 122004.00 115969.00 137348.00 127045.00 151506.44 130965.00 128912.98 158709.92 122721.03 131241.72 134080.19 121584.80 139604.92 144022.52 129060.83 145212.77 151028.00 158198.33 157642.81 169184.34 121109.07 125885.30 118702.47 133993.50 119254.22 158685.11 139516.69 157459.03 130728.99 133209.45 147352.44 132384.34 133753.80
dADP
90966.00 79120.00 130282.00 57246.00 161329.00 273757.00 141095.00 205585.00 181512.00 164890.00 226810.00 148366.00 266717.00 237942.00 293636.00 390560.00 299397.00 267559.00 193592.00 404663.00 207180.00 202633.00 342641.00 401790.00 359934.12 362299.47 413779.12 432085.75 359259.12 341712.44 418685.88 409374.94 317018.28 137925.77 273729.62 343889.12 91060.00 203143.81 122989.16 61593.25 104999.52 165958.72 277613.47 269038.41 61223.02 155984.53 175912.48 172677.80 625046.50 588847.62 536648.19 629335.75 378530.47
Daidzin
27467.00 27986.00 22174.00 21740.00 29547.00 62496.00 26308.00 37772.00 31055.00 22235.00 43896.00 27216.00 80062.00 77752.00 112786.00 104089.00 141112.00 89526.00 118320.00 118977.00 99130.00 109468.00 111661.00 132905.00 132599.53 102932.09 115502.60 141887.59 59747.95 62489.21 94195.88 89481.85 60332.13 57255.66 75509.77 93421.18 19827.00 21439.90 44147.92 42363.52 134214.20 127339.69 166415.77 131946.31 34676.77 78795.83 55878.10 59442.51 123027.02 184278.52 193803.45 196737.78 100750.87
D-Alanyl-D-alanine
973592.00 600317.00 746906.00 340978.00 789740.00 883070.00 546942.00 968637.00 912709.00 634044.00 1081371.00 713390.00 1180975.00 935559.00 1254128.00 1554784.00 1261096.00 952123.00 1356273.00 1855390.00 898814.00 953361.00 1491142.00 1679455.00 2015933.12 1491535.50 1969456.12 2209447.00 1353103.12 1115505.38 1658794.00 1609385.88 1504277.50 1187197.88 1112872.25 1446873.50 429093.00 862902.38 575523.50 350212.50 448675.75 888956.56 983117.38 1397498.50 367312.00 728044.06 1010470.12 838998.81 2273175.00 1874994.62 1620877.12 1949561.75 1515821.75
Damascenine
18464.00 40166.00 47663.00 21441.00 56344.00 57289.00 62933.00 54156.00 45479.00 64363.00 60161.00 43637.00 132222.00 124947.00 119060.00 110344.00 73277.00 99924.00 136028.00 99649.00 71544.00 174440.00 111427.00 88364.00 69781.32 66917.38 81282.23 67625.48 64137.75 96481.53 97882.63 115621.99 70159.85 51991.82 76957.06 64959.83 23115.00 21085.19 51818.79 19656.48 49711.62 45539.47 60319.45 89154.23 54628.95 50021.60 64228.27 19668.04 96088.30 224649.92 211449.47 226100.02 88235.27
Daminozide
- - 18355.00 - 72868.00 63634.00 54061.00 54610.00 106554.00 48946.00 77880.00 111734.00 - - - - 47393.00 106741.00 105843.00 114344.00 64951.00 138972.00 100710.00 102973.00 - - - 34645.13 69332.93 135836.25 148290.86 192193.66 139348.25 198008.50 153997.48 114485.90 - 20701.05 - - - 18792.68 - - 93752.77 130241.55 158971.52 78264.95 51032.79 61431.18 57628.00 46066.48 52965.74
dAMP
21511.00 21973.00 27104.00 192156.00 31860.00 17715.00 32495.00 18797.00 17269.00 24528.00 20586.00 24538.00 34559.00 15503.00 20263.00 22360.00 22762.00 18299.00 20644.00 21000.00 19361.00 26142.00 34563.00 30207.00 19808.00 15820.91 28671.31 18137.55 32576.76 12225.89 18435.50 33873.79 23156.62 30478.40 30017.65 23171.65 19965.00 25449.33 19136.98 24297.66 16093.60 25827.88 21378.34 27940.87 119934.66 16197.99 24727.28 28061.49 20541.12 23912.27 24273.30 28483.37 27662.37
Dap
214230.00 209529.00 186636.00 106259.00 290772.00 553853.00 305816.00 256607.00 338493.00 298867.00 404644.00 225029.00 1205745.00 741004.00 882954.00 966938.00 1498506.00 1155529.00 1290263.00 1194418.00 650391.00 1155023.00 1085850.00 875854.00 805249.25 543232.94 896033.88 794495.38 1031126.12 878379.50 1215012.62 963793.88 949009.19 384541.53 618986.56 615767.75 181812.00 285631.59 310843.81 174391.86 201925.12 280909.66 351675.66 348065.25 199138.88 375479.16 428308.34 181334.56 1381735.62 2714650.50 2826798.50 3064712.00 702332.88
D-Apiitol
80065.00 41108.00 47530.00 21140.00 72365.00 119141.00 79714.00 84609.00 120758.00 83610.00 149736.00 69124.00 236854.00 160449.00 192707.00 213501.00 456332.00 367890.00 427173.00 411825.00 670687.00 688349.00 777393.00 666102.00 149824.86 112316.17 205611.67 162964.09 222524.05 197946.00 325723.72 222733.81 385164.47 175704.23 422303.19 362723.91 51668.00 75368.97 60046.20 44454.02 56259.70 70283.02 104704.69 85607.38 67838.01 104425.24 110781.55 78026.17 371210.69 615443.62 599035.75 660390.06 233078.25
d-biotin d-sulfoxide
88313.00 70792.00 84342.00 27853.00 194624.00 261698.00 170589.00 194823.00 199206.00 137744.00 176223.00 130055.00 351682.00 350546.00 373737.00 369511.00 556664.00 426291.00 405074.00 410243.00 415529.00 400162.00 326664.00 376337.00 339458.88 255482.88 309182.03 294061.41 273342.50 308236.19 346642.53 296549.56 279839.31 189136.88 248555.02 220639.56 112180.00 175976.62 149879.48 95423.36 91448.38 109306.12 207611.47 142444.86 86812.20 140260.95 118513.03 84824.77 261107.62 258564.42 248296.73 231230.73 273098.97
decanamide
108316.00 104395.00 116752.00 163492.00 145658.00 192160.00 146399.00 195268.00 189098.00 186082.00 200235.00 156986.00 293446.00 292503.00 235745.00 232831.00 216627.00 224957.00 358206.00 238204.00 217434.00 247276.00 276032.00 292421.00 263727.88 200048.03 270335.75 230240.67 255950.78 207609.88 292027.22 276450.69 223440.81 221138.44 274402.44 262981.06 135985.00 132063.38 163900.70 171108.31 135747.92 182645.61 197215.69 488406.12 248454.58 214703.45 210541.02 244005.56 118390.96 262652.06 326250.69 263502.81 280107.53
delta1-Piperideine-2-carboxylate
66209.00 124745.00 74208.00 129904.00 107902.00 87035.00 140847.00 114243.00 92559.00 147515.00 96323.00 135449.00 129082.00 117753.00 117068.00 139813.00 68775.00 113177.00 113648.00 106107.00 82296.00 136220.00 116582.00 104991.00 104786.27 108355.21 132752.66 127436.16 71754.17 125013.77 126822.25 119113.30 86859.75 93432.91 87901.03 115211.94 84642.00 67990.95 127410.04 124423.59 82281.48 85129.68 99317.34 133881.25 89174.53 75837.73 139934.77 83758.11 23545.70 188262.59 196881.16 194034.61 157419.66
Deoxyadenosine
63816.00 79968.00 52171.00 51458.00 144778.00 139052.00 98847.00 109061.00 143342.00 147544.00 179204.00 143735.00 183043.00 129650.00 150352.00 146330.00 192958.00 155455.00 139775.00 140156.00 106404.00 164602.00 169346.00 143828.00 226718.50 146371.91 164268.48 133115.27 170753.89 159091.25 162910.77 172321.77 224378.48 161079.59 160541.06 178587.00 87484.00 96606.63 92077.13 85891.73 112338.13 143310.48 143867.61 207447.62 82749.70 175320.14 178563.42 125990.35 358018.84 561400.62 522899.62 548357.00 157946.44
Deoxycytidine
28241.00 15614.00 15310.00 - 44250.00 52633.00 49775.00 44235.00 50041.00 42352.00 51112.00 39699.00 113055.00 99523.00 140079.00 134183.00 144124.00 164199.00 203153.00 151165.00 136501.00 139722.00 167922.00 145156.00 88280.91 68554.35 114904.92 93544.99 100118.32 110195.51 162114.50 126576.02 96332.21 66632.02 120182.34 89434.58 17453.00 34433.59 35574.55 18672.47 32781.91 34744.57 50165.70 59117.41 42140.71 54349.05 54720.39 35577.66 70597.71 80687.91 89358.76 89587.31 99016.00
Deoxyguanidinoproclavaminic acid
96058.00 77850.00 79965.00 39144.00 205210.00 263750.00 217540.00 168009.00 213781.00 147674.00 166868.00 130055.00 398989.00 364834.00 356569.00 457547.00 563084.00 534148.00 444447.00 435643.00 415529.00 422609.00 378355.00 346253.00 387275.75 302895.94 359653.06 294061.41 294780.25 285875.56 390736.88 307680.28 277853.53 192096.89 258108.23 220047.22 122710.00 170478.92 155414.36 110637.69 96247.54 103466.43 212795.64 166684.08 99496.10 148955.56 119205.41 84824.77 258302.62 268797.75 256142.55 250389.17 277588.66
Dethiobiotin
78113.00 75188.00 83868.00 54651.00 106751.00 133080.00 115598.00 88067.00 113558.00 110278.00 84497.00 79328.00 391916.00 349431.00 364854.00 409255.00 263246.00 317822.00 270304.00 265829.00 177835.00 304620.00 214340.00 180227.00 296339.84 219394.53 290313.94 226669.34 253507.52 248258.77 248959.08 289878.56 194722.22 129540.07 173890.56 194375.73 105698.00 104009.45 122494.88 78572.23 193600.48 212993.33 239122.78 299356.03 112304.69 188510.28 165148.30 129537.62 221994.34 338278.72 299592.75 289876.38 167106.89
D-Gluconic acid
178088.00 154894.00 113351.00 176337.00 256734.00 357525.00 312308.00 280099.00 329561.00 279807.00 352054.00 255664.00 1307348.00 1335273.00 607484.00 765831.00 705168.00 804864.00 1961159.00 817928.00 566800.00 977957.00 850269.00 677800.00 530683.00 368264.91 936780.62 506242.75 519840.31 623297.19 803875.31 920429.00 650511.19 418910.91 554183.06 610054.94 157826.00 210177.48 212136.45 329834.44 122268.35 196373.14 268486.38 407527.53 371244.44 362106.94 406892.47 170501.86 1030885.38 1447614.88 1330036.12 1301071.88 531299.69
D-Glucono-1,5-lactone
85664.00 104829.00 74763.00 116507.00 42842.00 38218.00 22325.00 37226.00 50084.00 38575.00 29846.00 42611.00 40700.00 45398.00 44640.00 51197.00 34092.00 30002.00 45520.00 23338.00 32177.00 40155.00 29054.00 32622.00 48887.46 38486.42 41996.97 42706.04 35766.69 40449.44 42567.75 39400.25 57418.17 56516.72 47234.48 41866.04 34568.00 33465.65 54134.68 49459.36 49570.48 34561.79 29758.78 71809.77 54894.26 36388.77 35424.18 32454.14 43711.04 37697.96 34390.14 41987.02 44601.22
D-Glucosamine
214230.00 188708.00 172802.00 98742.00 283370.00 532256.00 305816.00 251362.00 338493.00 243661.00 404644.00 225029.00 1205745.00 741004.00 866765.00 836290.00 976276.00 981404.00 1290263.00 1142510.00 650391.00 1155023.00 1085850.00 764264.00 784904.38 514959.00 816010.25 680412.75 772316.25 878379.50 1171778.75 963793.88 927419.00 262885.12 316653.12 487426.88 157148.00 263205.25 310843.81 106922.01 181726.00 280909.66 349785.66 309318.34 164213.89 354902.97 326088.47 181334.56 1695197.38 2714650.50 2665013.50 3064712.00 712112.56
D-Glucosamine 6-phosphate
59021.00 72202.00 32752.00 17199.00 18937.00 32510.00 25206.00 - 31820.00 26061.00 52312.00 30360.00 163951.00 127857.00 171757.00 95997.00 111751.00 103545.00 97079.00 87286.00 66098.00 104557.00 46544.00 46047.00 116654.18 108820.12 117267.16 72365.80 76222.81 79288.23 78484.37 105704.08 101990.42 40495.64 43724.86 81276.15 33717.00 27222.19 62655.79 29481.60 69753.08 109841.42 93587.19 128573.01 - 78435.13 73081.57 22352.27 153827.89 297658.84 235336.62 271475.31 97842.70
D-Glyceraldehyde
37601.00 - - - - 49991.00 36202.00 20330.00 32494.00 26612.00 48584.00 29918.00 144991.00 96059.00 58079.00 67862.00 188466.00 104010.00 217818.00 192824.00 98733.00 71105.00 123171.00 173860.00 80126.14 71329.49 71246.80 101508.51 139508.70 119264.53 103254.38 74288.45 136376.17 52015.68 86581.45 109976.05 - 47337.41 44001.99 27941.23 - 45278.76 59972.44 101129.85 - 54851.98 43738.41 - 336991.47 63716.96 150673.64 186964.17 117973.45
Dicyclohexyl disulfide
878280.00 1132530.00 697455.00 1003214.00 558654.00 848262.00 457695.00 725880.00 1223309.00 898420.00 904000.00 913607.00 954946.00 774976.00 371242.00 617364.00 612407.00 605479.00 1156652.00 545304.00 614274.00 1115020.00 1119953.00 1027347.00 752342.00 823482.56 660144.56 853610.19 656872.38 659586.69 772431.19 954225.56 1412043.50 1480570.62 1087155.50 1377650.62 515615.00 821827.81 748821.06 751963.56 591824.12 717760.38 679512.00 1827496.25 931822.00 602876.06 1218841.50 459629.06 227672.58 975601.19 944065.12 997137.06 908122.19
dihydrothymidine
14018.00 - - - 24788.00 32055.00 18526.00 20374.00 22540.00 12681.00 38608.00 19632.00 59124.00 41844.00 52583.00 58032.00 71077.00 65530.00 62103.00 95985.00 65346.00 67429.00 60367.00 71277.00 49877.11 35635.85 61065.80 54145.96 48700.07 47437.19 68735.87 62383.91 64804.96 40989.71 44883.95 56263.45 - 15604.51 17142.54 - 15076.11 14741.69 15610.45 16695.16 - 22539.01 31085.70 19648.12 84477.12 139977.95 121429.28 104896.90 43109.25
D-Proline
26659.00 15847.00 13437.00 - 59495.00 73103.00 61421.00 59382.00 66529.00 57833.00 57934.00 52373.00 123350.00 123536.00 146271.00 178458.00 196245.00 180224.00 177930.00 202447.00 173978.00 145445.00 175161.00 141982.00 116735.48 98467.50 142413.53 148427.52 126762.34 134464.39 180827.92 127922.06 123308.83 57649.68 116824.71 118605.23 43925.00 45288.44 36398.58 12981.35 36883.11 39011.96 62498.22 67213.01 32228.13 81292.13 58451.40 47549.30 97528.30 108127.25 107745.25 91235.31 109383.77
Enprofylline
121930.00 67101.00 141183.00 34291.00 216067.00 390941.00 271939.00 246753.00 278079.00 186192.00 256971.00 136378.00 402847.00 449497.00 508843.00 432681.00 804685.00 796439.00 482677.00 620927.00 923121.00 622401.00 742108.00 614576.00 509261.62 331904.84 485128.78 376138.91 590387.06 582169.50 662287.56 488415.62 568039.75 481313.81 488425.97 474595.22 111903.00 193604.89 162992.86 91873.93 150327.41 152676.98 194016.83 154467.66 111492.76 416491.53 242475.09 220045.33 412526.59 713521.69 737067.50 656112.75 449939.25
Epsilon-(gamma-Glutamyl)-lysine
7180252.00 4850381.00 6462522.00 2845505.00 7215883.00 9603855.00 7033211.00 7782581.00 8047492.00 6442052.00 9904679.00 6320363.00 9777646.00 10290466.00 13540110.00 11993184.00 15565538.00 15668057.00 14036128.00 16489721.00 14099384.00 14286582.00 16926012.00 16769852.00 11435732.00 9914817.00 13044183.00 12562250.00 13472125.00 13393009.00 15816929.00 14072781.00 12450676.00 9590523.00 13364951.00 12569864.00 4836214.00 7341217.00 5869807.00 3476196.75 5082097.50 6766329.50 8529014.00 8853925.00 5324334.50 10339297.00 9677814.00 7413910.00 9494480.00 10497953.00 11096687.00 10774030.00 10199664.00
FA (12:1) dodecenoic acid
487806.00 176729.00 240604.00 180404.00 72547.00 217039.00 59103.00 197316.00 188899.00 86971.00 236130.00 107914.00 243059.00 159107.00 147479.00 276961.00 356542.00 177937.00 249663.00 292300.00 243189.00 152005.00 244561.00 482235.00 252191.30 185525.25 202345.86 329353.03 300276.69 125443.94 167221.59 202770.08 301211.78 160852.91 192000.67 341348.53 70277.00 332571.09 143416.34 108161.64 121611.27 247177.98 293525.91 569153.38 101746.69 19079.32 124903.12 78974.58 734266.06 539469.38 547386.00 719547.19 352957.84
[FA (14:2)] 5,8-tetradecadienal
- - - - - - - - - - - - 886381.00 330252.00 609138.00 763173.00 - 233593.00 610638.00 325948.00 212964.00 511130.00 142617.00 - 283536.88 395851.06 672529.06 546674.94 123062.19 293380.97 196986.17 424745.53 - - - - - - - - 88176.56 168335.72 261594.48 296789.12 - - - - 446586.88 694301.12 578744.62 798704.75 269675.84
FA (14:2) tetradecadienal
25112.00 27550.00 28332.00 24021.00 82116.00 69714.00 28911.00 71699.00 76776.00 83195.00 88291.00 72178.00 114253.00 61195.00 73985.00 71677.00 112305.00 94261.00 103606.00 90920.00 86362.00 137312.00 112975.00 77968.00 106497.37 81284.56 92548.46 72814.65 107978.80 94005.37 93677.52 93984.77 150278.64 89069.57 97597.51 115506.34 40291.00 50501.42 52980.99 40775.75 62139.16 83963.03 95290.15 103533.50 33109.86 97319.20 92485.94 65801.04 229758.23 432830.91 377832.75 424145.00 102947.14
FA (16:2)
96220.00 122384.00 138012.00 76623.00 91021.00 94409.00 106052.00 106938.00 73551.00 96584.00 99645.00 111727.00 111432.00 118138.00 86090.00 81955.00 83973.00 97692.00 106808.00 116176.00 97654.00 75384.00 80127.00 107120.00 83581.41 100304.06 87318.05 98578.28 116328.48 100059.86 80345.86 77878.40 110593.89 114043.80 107128.61 108834.41 116190.00 112841.09 98009.39 123677.12 91000.30 133115.23 88728.93 129048.85 135310.95 92159.01 99266.32 95918.03 123292.19 115533.58 105204.75 93183.84 119998.93
[FA (16:2)] N-hexadecyl-ethanolamine
863262.00 586696.00 726626.00 560946.00 1131460.00 1303885.00 845849.00 1041937.00 1345169.00 952219.00 1747044.00 1091268.00 1671257.00 1246765.00 1647099.00 2055444.00 2704354.00 2054071.00 2264683.00 2785123.00 1977184.00 1932832.00 3228182.00 3168607.00 2781516.25 1960343.25 3086326.00 3133449.50 2602051.50 2332397.50 3235716.75 2884079.50 2929712.50 1527159.38 1961672.00 2505470.50 565320.00 1195155.12 759141.81 514000.81 755970.62 972570.25 1420222.88 1700409.50 612876.44 914532.12 1466289.38 1187021.50 1924248.25 3443489.50 3100841.75 3355148.25 2505623.75
[FA (18:0)] N-(9Z-octadecenoyl)-ethanolamine
774679.00 591126.00 468908.00 264588.00 1203212.00 1930360.00 979607.00 1101414.00 1566342.00 1178357.00 1723713.00 1111446.00 3180806.00 2397371.00 2881788.00 2901126.00 3815698.00 4220469.00 4304767.00 3781262.00 3621342.00 5163201.00 4468138.00 3971903.00 2514390.50 1667546.25 2800659.50 2124669.25 3392264.75 2985572.75 3850913.25 3675022.50 4697105.50 2357624.00 3188748.50 3629751.75 636275.00 1398093.25 1008772.19 587540.94 755565.75 1093966.88 1150491.38 1234208.88 886535.75 1413166.38 1725260.88 887460.75 5094865.00 8103332.00 8401062.00 7890613.00 2754637.75
FA (18:1)
17692.00 - - - 53142.00 84964.00 69426.00 47284.00 86353.00 53342.00 69718.00 53529.00 135540.00 101824.00 85146.00 80738.00 770216.00 838765.00 501970.00 437232.00 1318282.00 1408260.00 1059294.00 773099.00 67739.88 65321.85 80431.99 52842.73 167005.12 160810.03 252751.59 142389.28 392403.66 227984.14 380798.16 396277.84 12846.00 32356.14 19120.05 15677.05 10026.13 - 12523.64 12649.66 17804.58 67069.92 58705.00 34443.34 303924.53 380523.34 444354.38 446651.38 242007.73
FA (18:3)
647670.00 261765.00 366639.00 224109.00 83942.00 200039.00 18927.00 194473.00 92443.00 56309.00 258635.00 117395.00 241157.00 109300.00 101008.00 170806.00 330535.00 79357.00 245823.00 256575.00 197868.00 131315.00 234974.00 481118.00 244607.95 167296.11 146036.72 349015.38 279592.81 100030.26 108817.27 170670.17 370920.47 143431.42 150979.08 299562.53 67858.00 337368.47 156629.66 73368.29 120460.93 383480.03 355075.56 611415.44 65025.38 80060.27 81204.88 36845.43 487205.50 550833.00 553709.75 620849.19 320623.16
[FA amino(14:0)] 2-amino-tetradecanoic acid
366788.00 238591.00 264634.00 137080.00 142296.00 196613.00 47095.00 165749.00 170215.00 109575.00 197523.00 110619.00 278802.00 181173.00 199782.00 359022.00 321661.00 212917.00 213576.00 290596.00 218182.00 134132.00 268716.00 331195.00 319171.91 245756.91 294719.81 295761.97 213129.62 195702.20 235457.48 263571.94 285956.28 210520.69 186916.72 270790.53 141025.00 217570.62 139598.16 83039.59 212578.00 260122.09 298749.28 393073.97 104961.56 143591.80 148570.81 101243.62 200611.06 213902.41 223455.22 225297.19 230347.14
FAD
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Fagomine
201933.00 119472.00 127404.00 64976.00 72707.00 112490.00 28929.00 105396.00 91392.00 51288.00 95289.00 64959.00 93463.00 82178.00 87157.00 141756.00 125906.00 101213.00 103181.00 118250.00 117420.00 104963.00 156340.00 158410.00 146374.31 158016.12 106642.22 145306.52 109976.15 84892.09 128840.66 112563.45 160576.11 125268.91 111335.28 146837.25 42390.00 136580.55 73065.44 30849.39 124344.23 93414.41 109701.57 165089.91 49585.24 86392.80 87791.15 56026.22 87957.41 119261.55 125319.49 141423.09 107930.27
FA hydroxy(18:0)
99150.00 81989.00 70176.00 82067.00 62912.00 79357.00 53100.00 71576.00 52105.00 69019.00 89781.00 68108.00 60148.00 43440.00 68171.00 51808.00 54035.00 44296.00 48200.00 60884.00 66743.00 61760.00 56726.00 75009.00 68581.80 48396.67 48045.31 80771.89 91521.33 58340.24 77219.73 53080.93 75442.41 74449.59 94379.30 72493.04 62402.00 107778.40 55817.39 63881.68 59403.36 69644.45 69701.00 75600.35 78127.70 70669.77 51073.18 95425.89 44026.38 93027.48 115521.92 105281.09 95875.71
FA hydroxy(18:1)
53239.00 31899.00 53329.00 - 79573.00 106068.00 62853.00 68870.00 83666.00 56790.00 99566.00 63452.00 154328.00 128176.00 154036.00 181001.00 235815.00 262322.00 209855.00 219982.00 191492.00 181013.00 236947.00 215220.00 138663.16 104913.30 179499.52 169945.39 179485.05 159796.98 227485.06 171534.09 170338.83 89741.23 145015.03 174051.06 24788.00 64493.06 51379.12 - 49113.29 61949.92 89189.84 85408.12 36799.71 104905.12 76434.66 57553.21 173573.77 332390.66 304301.78 292447.34 141326.00
FA hydroxy(20:3)
- - - - 40413.00 56838.00 14437.00 13052.00 72349.00 29282.00 86368.00 18435.00 180338.00 93447.00 124265.00 108002.00 190551.00 213782.00 162383.00 180021.00 211138.00 256133.00 223059.00 195203.00 117489.29 55320.82 97594.62 87545.76 191122.17 157288.05 190251.08 129004.44 195186.09 115834.22 156954.20 178306.69 - 23541.39 - - 23407.59 34355.06 49311.99 24748.33 13771.01 72566.86 49886.31 13361.05 167410.88 405930.66 429150.66 418075.34 137638.12
FA oxo(9:0) oxo-nonanoic acid
205111.00 324116.00 193816.00 549150.00 301526.00 225533.00 378782.00 198883.00 337922.00 368652.00 213164.00 335550.00 508732.00 387447.00 324046.00 364217.00 228929.00 384062.00 425742.00 226166.00 182731.00 359684.00 259982.00 205510.00 279996.00 332499.56 370132.03 241298.69 206695.94 363403.19 317840.03 406842.56 216314.25 211301.22 212952.88 198727.14 284985.00 187817.61 390026.62 550449.31 282038.09 226373.69 213249.72 246584.12 532971.75 213734.34 351456.69 184874.50 5683894.50 260433.67 207091.89 215064.88 252973.31
Fasoracetam
28606.00 - - - 29914.00 87226.00 - 26536.00 52655.00 27816.00 60972.00 23710.00 104754.00 71543.00 107788.00 101779.00 126644.00 114871.00 99590.00 128933.00 72937.00 82454.00 89999.00 98726.00 106755.11 92861.40 107638.51 128360.40 81509.57 71354.02 132094.92 80351.05 95672.45 56299.46 52857.10 82690.92 27254.00 54398.17 49984.82 - 18499.13 23873.12 45694.38 23274.29 - 26258.81 27622.72 - 121183.42 240838.47 265309.44 283625.91 85871.05
[FA trimethyl(13:2)] tridecadienoic acid
- 354642.00 29887.00 2226010.00 205366.00 98188.00 1139720.00 111847.00 312414.00 485130.00 69806.00 687902.00 3112953.00 2923351.00 1677607.00 1771072.00 37289.00 688812.00 3097189.00 305474.00 109127.00 1712024.00 333791.00 212505.00 400664.31 864605.44 2267547.75 491425.66 45939.59 461334.72 570369.12 1536056.62 129449.06 218202.56 112516.55 178605.67 156085.00 40887.47 496461.41 1828256.88 236464.45 93002.64 120854.55 1111489.38 2150154.25 152269.72 736440.56 50634.70 585522.88 1049616.00 1062743.88 1219950.50 705903.25
Fibrin
152186.00 173761.00 247153.00 144603.00 582764.00 786980.00 790160.00 853013.00 501921.00 438086.00 843185.00 633048.00 1593279.00 1634331.00 2781048.00 3630010.00 1592097.00 2385921.00 3529586.00 3110518.00 1468031.00 1783272.00 2289601.00 1957504.00 1311151.00 1637241.12 2795930.75 2861475.50 1311231.00 1963522.62 2690290.00 2611095.25 790942.19 683267.25 1365594.12 1205642.12 313511.00 363634.78 663904.00 425344.41 541541.06 705918.44 938969.75 1706293.62 231202.02 725700.00 962294.94 622240.38 838564.19 1202778.25 1638906.00 1838863.38 2229984.00
FMN
562527.00 255457.00 302327.00 147241.00 102938.00 168739.00 49531.00 145924.00 138283.00 67193.00 183521.00 95784.00 213229.00 138489.00 162476.00 259483.00 451590.00 179514.00 175603.00 227062.00 255592.00 154369.00 270948.00 420396.00 279989.03 248489.19 223522.77 362082.12 292971.25 154188.84 195933.58 178082.31 258696.92 130850.77 138614.11 223458.86 119642.00 252038.58 130391.35 57934.17 200516.08 318306.66 335225.56 405718.19 54355.63 78923.11 108347.36 67444.20 296905.12 481710.44 501197.84 516463.84 225683.36
Formyl-5-hydroxykynurenamine
64968.00 25948.00 21425.00 19484.00 30588.00 72684.00 29216.00 57396.00 59864.00 40824.00 74758.00 58955.00 80790.00 72261.00 68496.00 79818.00 111748.00 105643.00 107319.00 179252.00 108744.00 135659.00 123061.00 155157.00 82885.23 49011.43 79815.02 60008.98 123677.12 105179.11 118193.13 112581.08 145976.66 89810.02 111467.10 148429.92 - 27800.47 38511.14 17738.85 17482.29 35326.67 54556.63 70261.29 34458.71 62697.08 78216.95 49661.88 165968.81 244600.39 249224.73 231654.67 86726.79
Formylfusarochromanone
92778.00 67718.00 67025.00 28952.00 371597.00 499609.00 342577.00 370673.00 309626.00 198902.00 325292.00 203398.00 1380651.00 929241.00 1202771.00 1322881.00 1502004.00 1387869.00 804998.00 1021012.00 1284689.00 1068228.00 899554.00 849727.00 1255344.00 794653.50 1391210.75 1119737.75 915079.75 817041.38 984741.62 777924.06 513638.06 218628.77 385052.72 417250.88 216651.00 337816.22 247926.53 170212.12 346543.19 317341.44 463324.53 218004.39 61145.27 167583.64 104840.00 115349.85 941239.06 2147024.75 2147481.50 2198162.50 631905.56
Fructosamine
161228.00 110128.00 128015.00 94929.00 154822.00 273764.00 130273.00 200554.00 212768.00 204655.00 280178.00 194686.00 277404.00 221310.00 257872.00 318055.00 582185.00 353989.00 504988.00 553768.00 377715.00 574579.00 507194.00 630828.00 248396.72 187055.20 264746.50 277576.00 389660.88 345350.16 456249.31 464308.94 580369.06 355760.41 498127.50 645252.25 104012.00 142650.22 153005.55 89386.70 72180.56 138851.56 165113.03 225016.45 138046.66 243806.12 290793.44 150411.39 324993.25 974734.00 1053587.12 1088824.88 465359.62
Fumarate
171759.00 134084.00 141623.00 94586.00 571662.00 668208.00 557821.00 578700.00 550747.00 388589.00 597606.00 379664.00 1113428.00 961387.00 1326816.00 1309868.00 1302638.00 1459034.00 1528085.00 1283514.00 1245196.00 1296349.00 1364319.00 1020807.00 812499.88 762894.31 1208994.50 887338.75 1130154.75 1087934.62 1459367.75 1381934.25 1050293.38 667630.62 1008191.31 884319.56 307491.00 392215.53 414391.06 271993.12 330255.25 402748.47 591358.00 621041.56 234244.41 548729.62 345125.75 336659.25 794287.56 954133.31 1044225.31 979064.19 839457.69
Furfural diethyl acetal
96304.00 84831.00 82167.00 40715.00 115941.00 161540.00 108417.00 125118.00 145168.00 126385.00 124081.00 84865.00 219202.00 219506.00 224059.00 214065.00 325129.00 289241.00 327218.00 293223.00 253737.00 259626.00 265936.00 319858.00 222858.84 179715.58 225137.42 204091.81 292387.34 257623.34 332038.50 273170.03 258532.27 170337.86 217521.52 190954.42 79437.00 104104.38 74541.53 54114.83 89430.40 88162.97 119551.34 137245.92 96199.28 159126.09 134717.31 85357.62 184618.83 193295.62 203639.08 207061.17 201131.39
gamma-Glutamyl-beta-aminopropiononitrile
31663.00 33346.00 28121.00 27530.00 33823.00 47361.00 23268.00 49613.00 34723.00 29316.00 42392.00 29829.00 76251.00 48197.00 52320.00 50310.00 69320.00 41226.00 80707.00 79434.00 60068.00 73089.00 95295.00 120914.00 54353.64 39646.19 57386.32 53294.73 76931.60 42219.73 74435.31 60532.73 84736.18 57533.53 67951.88 76451.91 24932.00 36352.11 27633.20 33549.13 15741.21 28394.54 23859.54 49580.34 - 39692.83 41548.67 52453.24 29262.86 107691.16 94319.53 132349.48 86596.52
gamma-Glutamyl-gamma-aminobutyraldehyde
4577424.00 2835384.00 3889196.00 1354517.00 6357855.00 9274821.00 6281688.00 6798039.00 7585041.00 5913884.00 8402839.00 4882525.00 11205823.00 10928963.00 13134688.00 12678891.00 17564136.00 18210452.00 16195654.00 16786102.00 16706960.00 16728876.00 17555276.00 16553031.00 10393353.00 9444353.00 12854352.00 11743415.00 15240246.00 14243754.00 17063812.00 14237528.00 14242636.00 9940786.00 12899404.00 12858373.00 3425315.00 5964460.50 4288723.50 2071988.12 3422446.75 5237725.50 6911373.00 6357096.50 4499272.50 9688042.00 7735306.50 5326285.00 8728370.00 10650543.00 11060786.00 10861950.00 10202455.00
Gamma-Glutamylglutamine
18420.00 11393.00 31570.00 12824.00 17752.00 34772.00 19485.00 18255.00 37634.00 14399.00 20957.00 15878.00 59546.00 63576.00 69200.00 58182.00 89114.00 100487.00 78788.00 81407.00 103837.00 80230.00 79221.00 65677.00 57519.36 61521.77 64818.72 61165.60 74855.44 74002.95 104222.08 62612.32 65943.05 36916.80 41929.68 68159.59 11107.00 16821.21 14616.50 10471.27 28037.96 19331.80 33480.07 19634.50 11762.01 39733.15 26512.18 13570.72 60204.87 150179.19 154241.38 150714.78 53005.17
Gamma-glutamyl-Histidine
7669483.00 3319686.00 4671091.00 2328800.00 1407146.00 2897173.00 463572.00 2793424.00 2174290.00 1038057.00 3307828.00 1719760.00 2136485.00 1289731.00 1502697.00 2736069.00 2923207.00 1090539.00 1389512.00 2352803.00 2029511.00 1010879.00 2265924.00 5665166.00 4157762.50 2965823.00 2643843.50 4925539.00 3656661.25 1355867.88 1788734.25 1621259.25 4456292.50 2856839.00 2100425.25 4512379.00 1383204.00 5020543.50 2493228.75 1381407.00 2112796.50 3826346.50 4216882.00 8910544.00 713736.62 936269.19 1674198.88 1554472.12 4336640.50 7322745.50 6986361.00 7891129.50 4692942.00
gamma-Glutamyl-Se-methylselenocysteine
- - - - - 37764.00 - 16509.00 28403.00 27122.00 37008.00 16768.00 55074.00 26724.00 35570.00 23247.00 71473.00 92529.00 78387.00 87244.00 66538.00 117754.00 79355.00 76849.00 29681.56 - 39515.88 26511.54 62490.14 54736.86 64031.63 74334.87 85323.88 49970.88 55387.01 54377.55 - - 11720.21 - - - 26102.35 17526.53 - 41289.09 27605.26 15188.04 - 148823.23 118658.16 141773.05 56255.21
Gamma-Glutamyltyrosine
154756.00 127169.00 103717.00 100504.00 222272.00 275482.00 256535.00 205988.00 276506.00 249256.00 337073.00 182075.00 529020.00 457328.00 501046.00 514072.00 672878.00 623804.00 785870.00 611160.00 543242.00 824016.00 736957.00 716027.00 448580.81 329726.38 569301.94 444831.03 480157.62 524394.38 630565.19 702913.25 570854.31 401115.19 516888.34 555698.44 144357.00 203016.53 184601.31 117275.80 85927.81 196585.09 160908.56 251133.73 209527.84 333569.81 315064.25 172136.80 439962.12 1202377.25 1121833.12 1159980.88 513999.94
gamma-L-Glutamyl-D-alanine
4876227.00 4750044.00 4370935.00 2795289.00 5356992.00 7018660.00 4543710.00 6059022.00 8101274.00 5972183.00 6639335.00 4806022.00 11543390.00 10261010.00 8704061.00 9763977.00 9227889.00 11045521.00 9774084.00 9497387.00 8859997.00 11353563.00 10619198.00 10431215.00 8153457.00 6435690.00 8754187.00 7545831.00 10381263.00 10486712.00 10808751.00 10878920.00 7852599.00 9636995.00 10600342.00 9863807.00 3263975.00 5407872.00 3768940.50 2398589.00 4464831.00 5522187.00 6503157.50 11079309.00 5354132.50 9469187.00 8801326.00 6567162.50 7805169.00 8731539.00 8949482.00 8905336.00 9304691.00
gamma-L-Glutamyl-L-cysteine
- - - - - - - - 10239.00 - 22884.00 - - - - - 44970.00 21687.00 20307.00 39020.00 29906.00 66481.00 45383.00 53426.00 - - - - 12790.53 - 16279.17 - 37814.46 - 17543.45 48225.03 - - - - - - - - - - - - 78927.44 155560.09 144941.06 146092.91 24208.37
GDP
65074.00 26417.00 30707.00 37431.00 31711.00 25889.00 21031.00 28205.00 36579.00 28445.00 50182.00 69849.00 39329.00 - 32689.00 29202.00 29392.00 22760.00 31006.00 38655.00 30787.00 32945.00 59230.00 64710.00 44904.39 33564.16 - 34515.86 33057.03 27913.17 24129.61 - 70944.93 48853.43 56028.54 60776.57 21502.00 67436.21 25482.74 27103.18 20853.53 49741.26 34942.54 120844.57 25191.81 26691.19 55984.55 22491.92 18921.75 73820.12 102556.00 107019.74 39884.23
GF 109203X
109820.00 122709.00 114274.00 107006.00 146755.00 205122.00 165778.00 190097.00 152112.00 166911.00 172184.00 197428.00 170569.00 120820.00 155542.00 180428.00 173998.00 154371.00 197851.00 253080.00 145334.00 289598.00 239073.00 316641.00 152480.09 112294.35 159228.75 154801.70 189206.81 190590.88 279006.81 280649.00 216137.09 202267.88 247581.30 269337.69 94891.00 156790.89 161503.92 145668.17 70989.49 91972.30 117949.96 237311.77 87102.30 184781.88 207714.83 155753.69 417172.97 326790.38 316769.31 355374.09 234246.20
Gln-Leu-Thr-Pro
820924.00 2447296.00 1527455.00 509056.00 2374921.00 1573401.00 1705593.00 2587083.00 2091685.00 2109543.00 1981454.00 674449.00 2039595.00 2161618.00 1443248.00 1990109.00 2365533.00 1623321.00 2874744.00 2654034.00 2647442.00 573356.00 2493839.00 3196597.00 255916.45 3035861.25 2392643.50 2232254.75 1521767.50 3504263.75 3509807.50 2370001.50 2732585.25 2924502.75 1692253.62 3074567.25 1011603.00 1653339.50 3041538.25 3202200.00 2428465.00 1295970.88 823845.19 2589387.00 1477196.88 1699520.38 3139185.50 3143290.75 752079.19 1999757.62 2059619.62 2020821.88 2083522.00
Gln-Phe-Pro-Pro
677653.00 798383.00 814508.00 633457.00 824860.00 920757.00 625384.00 914434.00 1042197.00 1195655.00 835244.00 869323.00 1812429.00 1537588.00 1276565.00 1628830.00 949952.00 879573.00 1312465.00 1065485.00 636089.00 1141635.00 1132676.00 833661.00 2262858.75 1623452.12 2126474.50 1694444.25 1455238.75 1554017.00 1583370.00 1628249.12 1427048.12 2246127.75 1380643.75 1369869.88 960361.00 831065.62 1196597.75 1056968.88 1944884.75 2465268.00 2929389.00 3798300.00 1200432.50 2698294.50 2411900.75 1942472.25 4394502.50 2566634.75 2650454.00 2816368.25 2358786.00
Gln-Pro
88155.00 47753.00 79907.00 72577.00 32415.00 75435.00 16524.00 54195.00 61087.00 46976.00 98493.00 62018.00 134804.00 124156.00 73899.00 78786.00 97884.00 80005.00 141442.00 124266.00 78922.00 95301.00 138025.00 185599.00 67369.44 46391.36 62666.55 51925.40 87210.13 59428.69 116456.32 106698.56 134319.47 88449.82 148097.70 124426.84 19082.00 72768.99 56751.10 39031.50 29838.53 56056.27 102215.42 147424.95 - 60678.70 54744.46 48938.34 115198.15 76720.84 73738.48 79425.13 103968.64
Gln-Pro-His-His
274474.00 149766.00 196982.00 136672.00 273064.00 420784.00 243889.00 296614.00 251777.00 225828.00 485830.00 225449.00 606974.00 621932.00 797726.00 823821.00 684452.00 682153.00 746387.00 963078.00 486558.00 503038.00 776117.00 720688.00 1178390.88 1012390.94 929146.25 847803.81 657505.31 535545.25 921640.88 827733.50 510070.12 263603.28 373642.78 499004.12 185147.00 255368.58 340855.47 186179.97 197996.78 176879.70 273231.31 289032.50 170233.14 196827.16 334493.62 155702.88 386151.47 402346.56 354011.75 348881.25 526057.06
Glu-Arg
2911701.00 2282050.00 2355068.00 1435276.00 2593634.00 4505616.00 2031901.00 3695423.00 3949224.00 3644642.00 5477097.00 4507147.00 7905892.00 6552051.00 10623154.00 11054422.00 8894819.00 5767744.00 8299209.00 8107863.00 10488647.00 16870026.00 13319685.00 15444684.00 7570018.00 5224627.50 11972080.00 9015555.00 6110035.00 4763664.00 6902592.50 6929879.50 12271377.00 4331942.00 8613902.00 7786081.50 2365106.00 4527057.50 4842148.50 3100977.00 1766975.00 2661495.00 3555101.50 5636140.50 1460807.25 2513483.75 2946424.50 1639923.75 11757490.00 13978164.00 13525765.00 13958366.00 8633977.00
Glu-Ile-Pro
12825.00 - 9622.00 - 14754.00 15541.00 11732.00 8764.00 31200.00 15358.00 34050.00 13546.00 67095.00 26472.00 37486.00 33205.00 106563.00 132879.00 134836.00 115770.00 137829.00 141827.00 121434.00 86921.00 54867.36 22134.15 38505.44 22729.10 66707.07 56629.88 117339.03 94109.45 91030.91 54044.18 85684.20 69290.38 12379.00 10616.68 10709.85 - 13110.82 15702.18 13095.93 10595.41 26187.37 55214.42 41399.58 21107.30 54103.59 59048.00 68828.21 66271.88 41230.50
Glu-Phe-Pro-Pro
- 215679.00 17203.00 677910.00 537147.00 295562.00 2040426.00 350438.00 661091.00 1210784.00 195147.00 1351101.00 1362708.00 1175702.00 1028262.00 1037749.00 49611.00 802315.00 2165481.00 347233.00 204464.00 2186639.00 561942.00 300158.00 235169.94 426907.22 1103142.12 344007.62 57314.80 394840.59 568099.19 1130577.50 175993.28 295406.66 150742.50 202027.41 246269.00 47793.45 700052.69 1749165.12 221411.11 100784.85 130203.27 762075.81 1555933.88 166182.64 983051.50 79860.74 485637.81 873114.81 857692.38 879341.06 613867.44
Glu-Pro
466000.00 318485.00 290152.00 148512.00 296828.00 458919.00 200082.00 348278.00 423664.00 258996.00 472355.00 299258.00 649276.00 497984.00 587501.00 690742.00 1017688.00 814693.00 702362.00 894834.00 689180.00 660501.00 789557.00 897785.00 687185.81 517887.00 633384.62 632329.88 653097.94 535112.50 653519.06 665064.94 747155.44 566978.31 609902.19 674087.31 216400.00 460909.53 307861.62 148007.91 267406.81 393570.31 445183.72 513235.31 213131.64 348192.53 406785.09 249833.33 767598.50 1073253.38 1032720.44 1103061.38 610858.81
Glu-Pro-Pro
150284.00 153355.00 155473.00 137093.00 133929.00 141742.00 119443.00 139347.00 126021.00 118813.00 115930.00 134325.00 129006.00 127383.00 153556.00 149722.00 111248.00 155053.00 142805.00 126090.00 147511.00 136080.00 141252.00 145625.00 141172.31 135078.81 176934.75 154703.22 136582.53 138168.06 154762.39 156805.50 131157.27 138834.88 141735.88 145474.33 160569.00 107437.73 133507.41 112647.81 117389.65 138475.16 119926.21 135228.61 133191.42 129812.05 137371.31 140239.77 156057.84 145426.27 142934.22 149292.48 126302.20
Glu-Pro-Ser
2396726.00 1109530.00 1508463.00 907226.00 19293740.00 18984366.00 20447148.00 15658851.00 11468995.00 7249764.00 16150078.00 7077616.00 32824218.00 32383848.00 37875660.00 53097860.00 70288400.00 70906064.00 50885116.00 53511864.00 43014816.00 28249438.00 35336664.00 27327478.00 35969360.00 27568948.00 39631428.00 40555060.00 43416936.00 48149564.00 57115560.00 47321648.00 29936042.00 14229407.00 28772216.00 23458906.00 6270024.00 9022705.00 9136189.00 5970987.00 4263909.00 5155521.50 6445028.50 2236490.50 7066936.50 9394329.00 12733072.00 10693273.00 27227418.00 31748968.00 32808030.00 33886832.00 27621018.00
Glu-Pro-Thr
36624.00 33028.00 33552.00 21020.00 40201.00 52278.00 34616.00 37303.00 38956.00 42771.00 40538.00 31584.00 75615.00 61359.00 62374.00 81442.00 86756.00 90874.00 100314.00 76684.00 64785.00 104835.00 76713.00 85196.00 60337.05 37374.08 68196.68 57554.00 78511.44 70638.41 51501.52 100704.67 73895.73 42898.31 59087.55 66395.70 25154.00 35269.12 24681.72 34416.62 35951.43 39594.86 53854.36 66804.92 25432.56 52329.51 40538.71 29697.91 103235.55 96295.91 98902.29 109085.09 54129.55
Glu-Pro-Val
73392.00 2683971.00 244734.00 24635336.00 2199896.00 1861313.00 13795188.00 1917168.00 2869736.00 8656062.00 1184686.00 10330336.00 19120550.00 32701448.00 8130114.00 9566601.00 425895.00 3749660.00 31099048.00 2007973.00 1277898.00 8678774.00 1619519.00 2155847.00 2161275.00 4140737.75 10989262.00 2177732.00 517227.56 3303203.00 2881498.00 7859840.50 1161998.50 2143976.25 807077.50 1357967.00 1592884.00 727489.00 5504742.50 23579632.00 2265196.50 823840.38 1507692.88 11390794.00 40459244.00 1871030.75 3923194.50 528695.00 7631497.50 9093271.00 9616448.00 9261649.00 6641730.00
Glu-Ser-Val
- - - - - 36962.00 - - 42013.00 - 53725.00 - 56795.00 76537.00 97927.00 101769.00 185348.00 142556.00 218180.00 188789.00 129377.00 167135.00 214012.00 236411.00 78959.64 30734.10 101461.53 86492.71 120929.05 154820.73 193388.05 153726.14 178246.36 62143.16 110774.91 182050.77 - - - - - - - 31412.22 - 72077.12 29067.93 - 85138.05 - - - 65413.64
Glutathione
126748.00 96834.00 89356.00 49313.00 114402.00 167225.00 114836.00 162157.00 120149.00 103783.00 182721.00 125575.00 265995.00 248753.00 313341.00 469323.00 295185.00 248957.00 489461.00 410241.00 194190.00 197961.00 288777.00 305714.00 343023.38 247616.34 429266.25 415846.62 245380.08 232548.41 345057.84 332702.28 235770.02 166428.09 161173.94 251569.31 84881.00 164339.22 164347.69 99133.95 93458.12 115229.63 147920.53 194057.64 52251.54 78128.05 129130.42 84839.73 1150675.88 858591.88 989587.81 982237.00 279547.88
Glutathione disulfide
31375.00 23850.00 26136.00 41234.00 30042.00 53572.00 31304.00 60969.00 28340.00 26336.00 48867.00 30748.00 59890.00 38972.00 58783.00 57812.00 81413.00 65443.00 64392.00 78810.00 69785.00 90099.00 71073.00 102715.00 48313.23 33941.59 57796.70 60062.01 62773.86 66749.52 73682.92 76016.47 82366.98 55214.61 63062.23 80133.85 21646.00 22518.11 28880.17 21753.28 24762.31 24808.07 27331.68 28296.60 58750.00 40575.93 39631.98 38475.36 51267.40 85227.42 67085.36 81016.02 50524.37
Glu-Thr
- - - - 45615.00 84161.00 40467.00 52488.00 49473.00 43679.00 58168.00 31965.00 117989.00 93765.00 67174.00 118581.00 192358.00 157775.00 122378.00 160657.00 118620.00 148596.00 174121.00 131516.00 91751.27 54666.76 133801.44 58695.82 134246.78 123272.33 168978.03 154070.84 135716.20 58186.33 96711.30 116592.21 22880.00 36566.57 18123.25 - 33100.64 43864.45 49055.60 41040.37 22356.79 62722.17 55250.59 47889.55 160234.88 232662.22 230688.72 261816.88 63597.04
Gly-Arg
4261896.00 1445976.00 2590904.00 1089098.00 1861480.00 3237628.00 1227251.00 3050411.00 2301654.00 1411728.00 3616353.00 1724965.00 3937773.00 3013724.00 3126349.00 4682545.00 4151354.00 2622576.00 4114124.00 4947149.00 2787608.00 1759048.00 3476276.00 5400846.00 5571874.50 3623394.25 5428437.00 6830981.50 4788328.00 2792210.00 4310750.00 3912699.75 4364547.00 3420632.75 2894992.50 4788539.50 1403413.00 3971754.25 2050745.00 1412611.88 1354863.25 2899803.00 3399661.50 3996075.00 1038001.44 1366059.88 1929800.25 1650040.50 2187973.00 4975259.00 5333523.00 5766349.50 4459506.50
Glycerol 1-propanoate
171476.00 157236.00 150647.00 154332.00 85733.00 81378.00 69295.00 90350.00 119820.00 112370.00 77468.00 78697.00 76124.00 70860.00 56384.00 70298.00 74347.00 89796.00 63448.00 35804.00 64430.00 84371.00 74256.00 67237.00 87741.19 61491.04 33092.70 71658.66 70277.54 69901.31 75329.02 76076.91 93781.49 100990.56 89981.40 85194.34 79719.00 79012.23 76535.88 71575.12 71644.46 99587.72 74329.54 129449.41 76458.11 109868.21 95936.24 102234.25 77917.54 77960.96 74930.41 77153.95 87993.73
Glycerone phosphate
- 101715.00 70558.00 255984.00 202389.00 122234.00 221590.00 145258.00 256769.00 254091.00 136442.00 274325.00 4270846.00 2049595.00 4172131.00 4613425.00 424121.00 2081135.00 3616109.00 1539755.00 1419298.00 1925448.00 729874.00 294291.00 1900998.38 2725350.00 3714621.25 2878280.50 846136.06 2064933.62 1600113.50 2495277.25 209197.80 257157.83 216676.62 297922.03 194221.00 81700.93 229074.42 201910.22 689244.69 956547.19 1290540.00 1681662.50 364937.78 203482.77 236864.02 83181.75 - 1004417.69 1031113.31 1049284.38 987875.25
Glycerophosphoglycerol
27268.00 14239.00 22824.00 - 76752.00 103445.00 90044.00 62661.00 92226.00 66318.00 77833.00 48472.00 265047.00 286747.00 332470.00 343805.00 371987.00 351444.00 394603.00 308014.00 188998.00 317075.00 188732.00 142297.00 187549.70 147277.53 293536.38 189325.69 152868.77 143159.33 177009.56 176362.19 161923.34 99555.26 124438.72 92058.41 56050.00 78079.19 71146.62 53420.91 73648.88 109187.59 162061.61 187169.75 86142.70 98315.74 86645.27 61078.34 248614.84 268743.25 287207.19 278152.66 146034.17
Glycyl-leucine
81073.00 269169.00 158196.00 71293.00 232442.00 171203.00 178790.00 257080.00 231823.00 213656.00 188343.00 109080.00 203457.00 267177.00 182823.00 227100.00 221728.00 207790.00 355083.00 266895.00 209274.00 57227.00 213824.00 274909.00 22825.68 331717.69 294939.59 213213.47 139092.22 301399.50 330932.16 287237.41 246215.78 251541.73 179427.42 245544.84 94852.00 169197.25 247982.50 298501.84 195546.11 145273.14 92117.33 264247.00 94190.63 168245.59 289590.38 316461.75 123889.46 219024.97 234344.70 191405.95 187158.31
Glycylproline
79099.00 41521.00 41677.00 19200.00 46574.00 63707.00 34125.00 44994.00 68056.00 28859.00 63574.00 42721.00 93982.00 80102.00 95372.00 131300.00 154096.00 117613.00 113588.00 132738.00 95870.00 87736.00 159919.00 134828.00 107273.34 72369.62 110874.72 129309.69 95948.27 86539.02 99059.34 100041.45 130785.30 79947.48 92771.14 110589.41 26130.00 73632.83 47292.11 16052.43 41450.64 58079.40 60849.20 64373.03 29047.17 50594.64 61412.07 23770.22 128884.48 265371.38 277022.12 256245.86 74824.16
Gly-Pro-Pro
263867.00 295435.00 232661.00 143515.00 239334.00 269868.00 207684.00 250854.00 226555.00 241695.00 243765.00 262470.00 257617.00 256248.00 350785.00 351668.00 436063.00 402200.00 393174.00 364831.00 464985.00 419824.00 441919.00 379580.00 380368.84 318248.53 378870.59 318124.09 446402.41 410515.12 505894.94 539537.06 675757.50 514626.62 571192.69 659281.56 219569.00 275599.16 241740.16 168306.11 225963.45 291628.81 300647.69 357345.94 231974.34 463298.94 351778.00 389588.91 639686.00 357083.19 406692.91 340515.50 373267.69
GMP
- 991330.00 62266.00 6046493.00 614814.00 320732.00 3123486.00 337651.00 859577.00 1607032.00 157252.00 2099083.00 9763714.00 8883302.00 4956905.00 5527365.00 96229.00 2113666.00 9446196.00 898167.00 295279.00 5162738.00 929815.00 484770.00 1012453.00 2494007.75 7052380.00 1355793.12 149667.38 1502555.12 1692883.75 4940372.50 342955.72 639483.44 251147.66 529647.62 440349.00 88156.07 1421229.12 6476406.50 690936.06 235291.58 332750.78 3556977.00 7178361.50 412905.12 2244803.25 123111.58 2659076.50 3208737.25 3004026.75 3417885.50 2191191.50
GTP
423993.00 194372.00 346897.00 135968.00 316586.00 545302.00 241921.00 390507.00 410282.00 266962.00 462570.00 305950.00 605131.00 402485.00 748537.00 775956.00 923704.00 575945.00 591833.00 917927.00 438164.00 434645.00 856490.00 736942.00 923968.75 701281.69 1037400.81 956807.56 872208.31 550377.56 874324.31 884386.81 652629.88 427224.09 463256.41 702197.81 202459.00 468024.62 278653.53 114794.68 220376.42 400725.66 474673.59 624293.94 92980.66 264844.06 457786.81 331961.75 651974.50 1063921.00 977177.00 1162550.62 719529.75
Harmalol
83330.00 57178.00 45977.00 25674.00 79869.00 96750.00 87979.00 82233.00 107896.00 102942.00 96960.00 69444.00 134889.00 112962.00 136960.00 164076.00 215349.00 193773.00 196682.00 216896.00 156290.00 200398.00 229242.00 226549.00 142700.36 112280.22 141093.06 144471.20 161662.84 182350.91 196878.48 174243.89 187418.56 157271.03 161240.64 180449.64 42884.00 79735.38 57841.86 25778.30 54635.51 73300.45 82808.02 103254.00 90101.82 114519.80 92769.60 71264.79 136317.16 179148.70 153681.42 176973.30 135483.17
Harman
287542.00 220831.00 204049.00 144577.00 419699.00 667554.00 336297.00 418024.00 559712.00 428006.00 657388.00 416536.00 964069.00 794929.00 882181.00 802706.00 1132517.00 1193974.00 1310851.00 1203413.00 995515.00 1651684.00 1380869.00 1410686.00 790006.38 511770.84 811924.56 747896.81 919940.06 869434.56 1208046.62 1067404.88 1117451.00 703221.50 791456.12 1039203.19 248663.00 384433.69 262526.44 202259.20 250773.81 358958.94 367431.31 501145.78 302758.47 535174.38 534877.25 292597.16 1194088.00 2385085.75 2341360.00 3058233.50 750901.25
Heptanoylcholine
56023.00 28907.00 66563.00 29879.00 55611.00 87479.00 283662.00 388977.00 90354.00 55823.00 925400.00 631071.00 142539.00 84854.00 302136.00 363048.00 200711.00 227307.00 395955.00 659733.00 197536.00 296313.00 1191900.00 975777.00 125174.92 67692.27 367663.50 312585.00 157887.95 153909.55 657248.94 676219.31 226345.45 122161.55 907487.12 931717.75 28554.00 60706.93 246866.56 144598.72 33794.43 48623.07 289753.09 250967.11 18060.32 80136.23 868605.12 797467.31 523400.38 553163.31 579944.62 546055.00 339323.44
Hercynine
- 33976.00 - 281957.00 60802.00 22008.00 395759.00 37521.00 114674.00 199290.00 21410.00 283955.00 470621.00 491529.00 342161.00 300562.00 - 224295.00 849527.00 110079.00 44169.00 579950.00 120176.00 64091.00 101612.80 216621.58 598850.06 132176.31 16733.42 206203.28 266795.69 610798.81 60576.12 102996.53 41676.23 76030.37 45481.00 - 113169.55 374005.16 61825.56 14568.90 19820.43 218610.64 1668906.00 112481.82 708445.31 39936.05 177919.67 309693.88 325136.78 352627.50 206791.00
Hexadecasphinganine
1247326.00 475891.00 743027.00 650792.00 639030.00 1224943.00 783582.00 1079123.00 930507.00 585279.00 1344956.00 775641.00 2058785.00 1841302.00 997491.00 1760121.00 2564928.00 1337669.00 3002979.00 2730650.00 1696030.00 1005665.00 2139585.00 2999075.00 2029326.12 1537093.75 2111779.50 2649061.75 2859666.00 1654338.00 2711339.50 2169190.75 2423803.75 1207310.12 1742610.75 2641594.00 466378.00 1013443.38 724439.75 685148.19 566787.75 1006602.81 1396137.25 2288340.75 774379.38 853295.69 931038.38 1398225.38 1912997.88 2149580.75 2306629.25 2559507.75 2155003.25
Hexanoic acid
3521341.00 2317294.00 2207459.00 1411047.00 1559091.00 2524159.00 784366.00 2347453.00 2543502.00 2057190.00 2828139.00 2195756.00 1288664.00 975638.00 745776.00 1567035.00 2168307.00 1304023.00 1602478.00 1750861.00 1972052.00 2079895.00 2976854.00 3946875.00 1982892.25 1948491.25 1250959.50 2047412.38 2267055.00 1650641.25 2360205.50 2112972.50 5269359.50 4132868.25 3494571.25 4387417.50 1261797.00 2891732.75 1775923.50 1130855.75 1467157.38 2026581.75 2067963.75 3843534.25 1392196.50 1960927.88 2875450.50 1510785.75 4668119.00 4665833.50 4131351.25 4226949.00 2631205.00
His-Leu
384764.00 271749.00 283398.00 173363.00 319723.00 392547.00 274177.00 351349.00 366664.00 298493.00 378165.00 345151.00 523480.00 440885.00 558088.00 640556.00 604113.00 579409.00 705834.00 824506.00 488256.00 435092.00 656626.00 569983.00 721330.69 464401.19 764803.31 630047.38 697107.81 658827.25 857603.81 832016.94 542082.38 396263.12 490594.59 589471.44 168655.00 340557.53 230342.69 128088.45 253434.59 344647.31 472557.62 584497.31 196777.39 244628.69 328139.38 252728.55 441390.16 626512.06 592551.81 582776.38 518316.84
Histidinyl-Threonine
2143278.00 1713236.00 1266207.00 1015172.00 3963591.00 5915020.00 3840753.00 3730253.00 5347743.00 3826875.00 5077772.00 3622926.00 9006119.00 10554189.00 7519172.00 6676539.00 13790619.00 11960774.00 22649808.00 13709376.00 11038895.00 17026480.00 13510145.00 13665291.00 8683085.00 4772177.50 8416268.00 7020298.50 16952532.00 15639685.00 27072054.00 20298134.00 14491709.00 7452474.50 26455558.00 11086486.00 1770911.00 3383691.25 2605713.50 1680691.38 1756562.25 2294848.75 2829752.00 3665989.00 2638071.75 4514531.00 5474052.00 3154734.50 13423412.00 18850888.00 20456110.00 19741972.00 8655556.00
homomethionine
31355.00 18883.00 - - 47012.00 73045.00 39497.00 63738.00 68167.00 33555.00 70474.00 59164.00 102612.00 90548.00 110826.00 140587.00 178852.00 146495.00 193385.00 155939.00 130963.00 189057.00 181076.00 167751.00 100283.83 64370.62 115695.96 114777.92 142617.52 121589.97 166008.45 137336.62 164013.72 85753.31 124514.49 130677.55 - 51774.51 43261.18 19815.30 40295.07 32355.39 51454.50 61714.38 28057.20 65625.81 78864.48 56698.98 101967.91 211601.05 254519.28 250849.53 107532.55
Hydroxypropionylcarnitine
175057.00 93832.00 131982.00 111118.00 73767.00 100994.00 92972.00 88966.00 71982.00 55768.00 102195.00 76143.00 209024.00 135089.00 129988.00 185701.00 163863.00 138981.00 264008.00 179957.00 120147.00 86830.00 155990.00 121915.00 199119.02 139445.58 238953.20 223793.22 146591.58 80402.52 139370.67 144346.44 121370.23 88497.63 85582.86 142319.67 47691.00 93913.13 100518.52 79266.16 50030.65 103221.84 116332.20 209123.41 28079.28 64208.84 84909.70 60168.47 320467.19 290852.50 289029.38 292036.69 119560.17
Hypoxanthine
52583.00 51161.00 51207.00 26701.00 203628.00 308169.00 220081.00 153628.00 234122.00 168698.00 218754.00 100547.00 914186.00 617741.00 902084.00 958856.00 1195064.00 1173641.00 1240332.00 998445.00 711504.00 1099848.00 634411.00 497693.00 487539.78 324670.25 703846.38 452921.66 455101.34 432968.16 705683.69 550311.19 481609.34 276301.78 399428.84 300769.31 100971.00 185766.12 145257.22 108856.87 114816.22 133100.94 205689.97 134545.06 99107.28 167891.67 136645.88 90392.39 563556.06 810925.44 912739.88 874706.19 427227.00
Ile-Ala
- - - - - 21829.00 - - - - - - 119915.00 184839.00 189595.00 133580.00 172191.00 109375.00 109526.00 156452.00 104519.00 104627.00 114165.00 121583.00 212210.81 146634.62 130721.27 125426.51 138805.61 98808.91 73899.04 117411.71 30442.44 23680.50 43487.59 30218.45 - - 55567.32 - 51615.23 36319.97 67868.77 - - - - - 162350.84 246257.23 251249.84 207302.67 88575.22
Ile-Ala-Pro
53006.00 246212.00 89539.00 105749.00 186243.00 109218.00 180541.00 209198.00 126245.00 201197.00 138429.00 45782.00 273778.00 231963.00 139739.00 173989.00 150989.00 137840.00 337281.00 202813.00 222759.00 46377.00 296202.00 258491.00 22185.70 379838.47 350118.78 138139.34 110079.93 408530.19 383101.22 170329.53 258718.00 338962.12 122701.49 280732.84 102365.00 104900.73 299506.41 540924.81 251904.28 89763.92 50425.86 347929.03 149077.39 101083.31 258556.88 196666.67 180395.36 302240.28 249204.06 259259.94 307851.25
Ile-Arg
- - - - 37224.00 45604.00 29439.00 - 26189.00 23790.00 37590.00 19871.00 76338.00 38770.00 62563.00 84889.00 85861.00 82363.00 79244.00 123664.00 97529.00 80082.00 83388.00 87154.00 68940.36 35423.52 82272.70 45991.67 82815.35 94049.05 102807.22 92488.44 76075.56 33847.25 54885.91 66427.02 - - - - 21982.84 23843.66 27443.93 27836.48 - - 32725.49 - 67991.57 121097.59 99480.50 110156.91 65857.46
Ile-Ile
226479.00 151633.00 155356.00 64982.00 82960.00 140775.00 57412.00 144223.00 128796.00 94630.00 152173.00 107632.00 123416.00 81260.00 116236.00 180824.00 186511.00 117929.00 143807.00 200093.00 133436.00 124594.00 166326.00 264216.00 177226.02 145865.09 185783.98 256319.09 161900.61 96687.80 139619.11 143353.39 209982.67 156334.42 134017.23 242017.83 73138.00 187291.31 124784.59 77773.16 91794.32 158303.09 180272.33 279475.75 23104.69 80439.71 133933.47 70053.25 255110.19 463156.97 493546.94 513598.84 183357.95
Ile-Ile-Pro
802035.00 397452.00 540033.00 233479.00 570001.00 780094.00 419849.00 623490.00 590401.00 416019.00 798201.00 518460.00 926101.00 800014.00 989455.00 1147032.00 1083765.00 810996.00 930365.00 1340421.00 598822.00 582228.00 891401.00 1161354.00 1394402.62 1065891.25 1589356.62 1806472.00 1066076.75 865275.06 1289697.25 1179629.62 1070355.62 725876.44 720001.56 1030988.56 362159.00 802949.12 576101.69 354750.31 398788.59 634620.19 844820.06 908158.19 219732.94 375244.50 531100.31 380066.84 2367782.50 1346594.50 1342393.00 1453066.75 1001557.06
Ile-Ile-Pro-Val
23339.00 14239.00 - - 76829.00 85253.00 67000.00 62774.00 72725.00 60574.00 60535.00 47775.00 265047.00 252829.00 263591.00 223877.00 313097.00 248599.00 306010.00 238451.00 154654.00 227149.00 154937.00 126086.00 169890.80 127277.54 257126.95 151778.77 109601.37 131119.11 141838.27 127926.62 127146.25 80123.10 106029.29 92058.41 46571.00 71648.97 47482.74 31162.53 73648.88 93935.30 131948.19 139211.09 74735.57 87100.18 75554.81 61078.34 216754.88 257465.69 216266.14 207018.64 132879.33
Ile-Ile-Ser
216160.00 124615.00 87456.00 - 24884.00 49921.00 - 32122.00 70727.00 45007.00 124175.00 35491.00 - - - - 75617.00 18799.00 - 27535.00 80496.00 66241.00 85672.00 121201.00 32739.09 15056.25 - 20401.95 69219.95 43380.41 33852.13 26494.55 245951.95 123520.10 113599.72 162690.62 15347.00 86597.98 37488.49 - 30125.30 99721.90 52165.03 34946.25 - 58183.42 83796.64 37487.53 225282.83 490838.25 527772.19 488079.50 65601.37
Ile-Leu-Pro
93255.00 154007.00 104278.00 199230.00 139514.00 96573.00 156263.00 94098.00 120610.00 161006.00 92164.00 160082.00 213492.00 159417.00 152111.00 170086.00 89216.00 154519.00 116278.00 95297.00 102846.00 170201.00 104114.00 84489.00 108879.73 125296.83 123944.80 120858.26 84845.14 135677.17 154493.72 184780.08 82981.69 85788.11 89451.45 97358.75 115960.00 93188.98 166087.28 183423.16 131048.68 91689.98 87213.14 98319.56 174053.53 85300.45 164255.66 96964.82 357758.81 92163.91 117706.67 101038.61 111601.35
Ile-Lys-Pro
522218.00 451985.00 369256.00 208157.00 615943.00 820709.00 426492.00 521133.00 735608.00 544392.00 636324.00 413375.00 1198910.00 909862.00 1010589.00 1059014.00 1628893.00 1285807.00 1279939.00 1377113.00 1103640.00 1534211.00 1315513.00 1279155.00 983027.50 743338.94 969883.38 953584.31 1180483.62 1241597.25 1301799.62 1273778.00 1441019.00 808915.94 918475.00 1163503.88 314426.00 585863.19 397180.62 240442.89 378862.00 537067.31 484256.25 604209.00 369555.78 730815.81 597651.12 387021.94 1182977.12 1403099.88 1357465.75 1344859.75 1003749.69
Ile-Met-Ser
266088.00 267151.00 242158.00 258723.00 227860.00 225868.00 169769.00 268330.00 203130.00 245112.00 259510.00 261851.00 281948.00 248810.00 281738.00 224182.00 179957.00 193677.00 171594.00 183491.00 179268.00 204992.00 192010.00 187583.00 335551.69 223419.64 206848.02 230421.81 227107.36 216986.41 219787.27 245026.61 234128.34 206006.03 224071.33 213960.61 219007.00 230763.81 179072.89 207901.12 289834.22 351426.88 352521.00 506289.69 192157.34 303548.72 227626.72 276362.34 221219.89 287453.09 292929.34 312639.09 252670.14
Ile-Pro-Pro
838210.00 595645.00 641307.00 298605.00 1151969.00 1445512.00 914003.00 1071246.00 1286146.00 1007126.00 1451757.00 1056234.00 2645963.00 2195765.00 2537098.00 3242831.00 3795296.00 3428660.00 2699492.00 3770176.00 2513790.00 2711922.00 3381978.00 2976957.00 2830398.00 1867699.25 2723497.50 2243530.75 3184154.00 2794773.25 3894087.50 3820870.50 2789539.75 1680480.38 2536167.75 2699922.00 575969.00 1051992.62 750350.44 378231.41 895155.00 1210091.38 1926119.62 1752215.88 605370.06 1208128.88 1341091.00 1082786.88 2727797.25 3742860.25 3752914.00 4016810.00 2247997.75
Ile-Pro-Ser
151392.00 78213.00 119508.00 57347.00 413799.00 862289.00 451979.00 448540.00 617171.00 451677.00 1213664.00 385641.00 3503403.00 1836649.00 3480747.00 2646419.00 5946839.00 5118844.00 4815965.00 5010122.00 5327900.00 7979876.00 7245877.00 5805513.00 2655708.50 1448692.00 2870693.50 2338911.00 4266966.00 3310291.00 5061874.50 4630289.50 4821991.50 1578663.50 3322117.50 4015846.25 97171.00 224510.67 285113.50 119504.66 297337.09 590574.19 991023.88 538177.69 279216.72 926872.50 1177269.50 409533.31 8658316.00 14174211.00 14172422.00 14190314.00 3655893.25
Ile-Pro-Thr
430787.00 230174.00 224286.00 126005.00 202674.00 248941.00 108512.00 239983.00 291084.00 159885.00 270522.00 169376.00 313014.00 207444.00 323162.00 423364.00 294096.00 228375.00 222592.00 336327.00 231120.00 188451.00 350831.00 335250.00 513215.59 364216.66 480655.09 487139.16 296446.50 237883.11 344285.41 277115.62 405252.97 289941.00 240470.27 345100.34 157271.00 283783.03 214701.84 136971.64 178961.06 215197.92 270442.59 276228.19 128244.98 117790.23 197510.81 115077.52 158474.50 403603.97 412716.56 474747.28 284002.28
Ile-Pro-Tyr
- - - - - 19290.00 - - 14940.00 - 18201.00 - 27797.00 24960.00 34000.00 28073.00 100780.00 96321.00 74617.00 77095.00 101114.00 88834.00 107702.00 67014.00 50693.20 20991.19 30287.46 23986.87 56798.95 38024.41 78422.65 41446.17 59014.62 31091.69 62144.55 72363.12 - 10427.99 - - - 35458.12 23630.30 11504.23 - 13215.24 15984.39 - 56459.84 95481.42 87842.59 91356.46 25086.88
Ile-Pro-Val
12058.00 11545.00 22443.00 14572.00 55692.00 85337.00 65025.00 82780.00 72998.00 61956.00 80948.00 64124.00 111001.00 95425.00 118639.00 136922.00 195019.00 225358.00 220995.00 241732.00 226072.00 302282.00 258315.00 219593.00 97750.30 77303.63 94587.91 81563.34 107228.45 140926.94 152497.02 142154.19 114445.25 85495.96 135059.88 124099.59 39592.00 53047.30 57702.99 44412.52 28702.14 34701.58 48462.97 49796.91 40183.48 77303.97 74092.71 61694.72 146306.12 195180.80 175954.12 173086.58 145112.30
Ile-Ser
- 859884.00 109806.00 533851.00 91143.00 65027.00 69357.00 51569.00 98430.00 129438.00 62272.00 58117.00 326843.00 182234.00 536951.00 368622.00 32257.00 250263.00 370228.00 261400.00 141863.00 565785.00 398967.00 166057.00 189990.03 318838.44 588525.62 351907.69 47837.83 230050.91 338233.03 455509.72 62085.77 115408.37 148690.22 148445.48 49923.00 - 97813.27 - 138969.73 109420.36 102148.30 149536.42 - 71895.87 208555.53 46873.51 193069.41 208486.84 305621.34 284593.91 187771.53
Ile-Thr
68203.00 55530.00 27016.00 22888.00 90061.00 130160.00 82903.00 74853.00 97434.00 83818.00 102348.00 88887.00 216385.00 140471.00 183174.00 182143.00 236291.00 243731.00 274448.00 286192.00 187431.00 291205.00 262595.00 259803.00 155448.02 121732.71 202050.17 210877.58 155668.50 181750.56 261208.81 210326.20 222759.12 128313.59 174133.02 216363.73 44920.00 81224.55 75268.95 39623.29 59816.16 81786.22 102788.83 103094.57 37717.60 122819.66 115792.30 84718.93 210897.36 484420.19 500602.09 490310.09 200701.53
Ile-Thr-Pro-Pro
105073.00 204682.00 149964.00 211821.00 114056.00 119517.00 106657.00 122087.00 124995.00 125543.00 143727.00 116987.00 558738.00 448412.00 371093.00 466936.00 147231.00 296457.00 520725.00 256959.00 96958.00 352028.00 195191.00 229421.00 217381.53 231279.44 249575.44 253507.88 131897.23 199212.69 205758.86 265745.03 177431.59 214805.62 202660.67 179366.95 87450.00 97462.09 172703.44 251062.36 144096.33 171342.62 228381.17 506974.19 119967.13 122035.98 229666.36 48138.31 - 253728.30 294709.44 318007.84 209264.05
Ile-Val
115545.00 147998.00 149702.00 134912.00 149943.00 164835.00 172545.00 130402.00 146127.00 173318.00 166149.00 214978.00 146091.00 76789.00 173105.00 175714.00 162613.00 141621.00 146394.00 162015.00 148239.00 196812.00 170157.00 133224.00 182636.94 157594.06 144446.84 151177.33 139516.62 151977.50 161811.45 181814.33 159006.17 162489.12 179395.98 190628.45 137015.00 173514.89 156385.20 156846.25 103760.70 218427.84 170665.94 107823.06 109548.84 140418.45 181995.73 151314.02 140793.44 206652.17 167660.19 121047.61 153603.52
Ile-Val-Pro-Ser
302709.00 321270.00 296759.00 604850.00 202863.00 233653.00 171492.00 269809.00 253773.00 239944.00 194092.00 258941.00 187648.00 192422.00 153490.00 184594.00 103490.00 106838.00 126822.00 141054.00 98511.00 142839.00 129341.00 120402.00 273584.72 201247.06 150330.61 170306.28 148918.66 189879.53 145415.97 169547.45 182699.62 171468.97 162074.95 165343.94 291713.00 263377.69 239407.86 337589.41 220641.64 224845.03 179182.53 399479.62 254434.92 182212.30 231389.64 212017.02 251595.45 260888.19 236123.12 278991.50 229046.06
Imidazol-4-ylacetate
1420173.00 735261.00 1088167.00 946010.00 304016.00 609454.00 221883.00 674004.00 529827.00 290733.00 819885.00 413003.00 1096124.00 701946.00 575181.00 953147.00 564825.00 306862.00 661128.00 591314.00 357263.00 339117.00 551146.00 1107992.00 979779.25 731186.50 1103862.25 1276924.75 817801.56 371929.31 471416.91 554336.31 1118919.62 767749.12 528781.81 1147517.25 311638.00 1009243.75 694304.06 644298.44 460080.25 772125.50 811097.06 1680371.62 295303.44 261482.03 458046.22 374139.69 655740.50 1512175.25 1854830.00 1827969.25 1001417.06
Imidazol-5-yl-pyruvate
31821.00 31415.00 36287.00 26451.00 109573.00 226085.00 140945.00 121719.00 148722.00 98861.00 183173.00 94096.00 214890.00 280227.00 382555.00 262423.00 316257.00 383976.00 345538.00 353435.00 339940.00 415092.00 431734.00 297448.00 166160.45 140449.23 283395.00 146731.83 373510.34 341508.91 400827.62 295887.94 385219.69 229249.20 349010.72 263586.38 60397.00 86866.62 76158.27 73642.24 109099.07 131887.11 253172.31 194551.92 91300.84 235608.16 176628.30 109321.91 166342.83 211160.55 260042.11 201594.33 192445.67
IMP
- - - - 8639.00 30316.00 34744.00 12612.00 18182.00 10236.00 15067.00 - 44465.00 65506.00 21986.00 30892.00 59301.00 96224.00 39180.00 45697.00 123411.00 49605.00 100867.00 44687.00 34487.42 31805.83 34353.28 34354.84 77913.02 52298.82 63067.95 46152.36 34113.86 19557.10 35377.89 70903.74 - 10006.92 - - - - 12643.08 12717.40 - 34520.95 19572.21 9689.25 82241.08 98860.66 101046.62 109989.81 76327.46
indole-3-acetyl-valine
25113.00 19585.00 19346.00 18882.00 26036.00 43029.00 30911.00 41501.00 35683.00 31181.00 39443.00 29254.00 66981.00 82195.00 45883.00 56711.00 102876.00 111852.00 46500.00 92153.00 82494.00 103746.00 107560.00 93255.00 51850.18 33444.08 76617.94 59716.52 53128.94 74227.84 92645.30 86224.83 118681.62 62901.43 81046.80 70738.44 17395.00 28398.99 24312.87 - 18776.15 30560.97 29523.87 40503.90 21731.87 38483.68 54892.33 53374.46 94744.50 116390.56 115148.28 136149.52 73758.05
Indoleacrylicacid
164319.00 143328.00 103049.00 108019.00 286070.00 400393.00 249052.00 283072.00 342617.00 296214.00 373609.00 292954.00 694464.00 538673.00 576503.00 563857.00 780590.00 797157.00 833728.00 801330.00 693236.00 1056828.00 919664.00 938760.00 587049.94 373994.91 625836.19 522998.41 631072.44 635030.56 743182.00 697495.62 763721.19 455289.22 558329.75 636850.31 166276.00 272988.84 204430.52 143235.02 198372.02 251599.42 284159.88 384011.97 236522.67 347302.91 363862.22 274639.12 920922.56 1625513.62 1769581.00 1810334.12 555598.94
Indolelactate
104581.00 98008.00 84814.00 91023.00 28179.00 37996.00 18798.00 31905.00 30653.00 49106.00 24797.00 29098.00 36170.00 38930.00 23506.00 33937.00 27691.00 26064.00 30496.00 26454.00 38636.00 49409.00 48374.00 30739.00 52286.05 24269.72 60361.40 24975.08 36521.22 33069.34 31384.02 33765.46 74614.02 63874.79 50011.65 56960.62 32653.00 50590.79 35010.94 22002.86 37474.38 49495.78 52795.81 59485.35 21291.97 47242.20 41274.21 61555.57 30982.61 42615.66 45075.91 55979.88 55808.44
Indolepyruvate
97618.00 111868.00 131759.00 119635.00 105800.00 120164.00 109632.00 108025.00 140384.00 118329.00 125799.00 114619.00 99392.00 99789.00 134829.00 123342.00 104344.00 123245.00 120177.00 138453.00 96046.00 126866.00 146096.00 193123.00 129143.45 122602.86 121289.19 126458.92 116827.23 121283.26 130680.30 97245.45 179025.25 152129.55 149042.69 198970.61 111738.00 139089.02 119307.70 111341.36 100813.35 101553.28 107287.30 212245.67 99221.33 120753.52 132123.38 102246.60 126730.16 212985.06 218282.16 210407.67 169733.73
Inosine
155184.00 107898.00 131072.00 119094.00 118398.00 124488.00 93122.00 96337.00 157632.00 109912.00 195950.00 128107.00 194823.00 152234.00 239469.00 291883.00 293793.00 210561.00 312054.00 370869.00 162658.00 145628.00 314277.00 316600.00 369671.94 283312.56 384156.62 388002.34 250236.34 171674.27 249963.97 271761.72 266605.16 209720.67 163061.17 248969.27 106580.00 175497.67 131553.59 - 124645.38 186395.16 189929.23 395037.06 - 151271.41 136797.16 183078.33 400488.56 525969.12 606092.75 544105.25 289974.41
Jubanine B
249168.00 254204.00 317062.00 165065.00 301451.00 470846.00 316528.00 350106.00 350099.00 238223.00 333666.00 276368.00 2071510.00 1230424.00 1816500.00 1547542.00 1141593.00 1202342.00 1221038.00 1120551.00 697209.00 911241.00 868076.00 750744.00 1207742.75 745275.81 1620393.25 1138378.50 705467.38 596335.12 856240.50 829908.31 512662.94 344364.66 464165.03 464373.03 242496.00 308903.81 370921.34 227557.00 359627.50 557506.56 894347.25 937860.25 164210.11 306048.56 297855.88 169991.97 1420190.12 2971861.50 2857937.75 3425711.25 817903.94
L-2-Aminoadipate 6-semialdehyde
80719.00 48315.00 51969.00 33699.00 72815.00 122081.00 71330.00 95048.00 106063.00 63230.00 100504.00 59432.00 116724.00 138440.00 136407.00 145458.00 217731.00 232017.00 142695.00 215830.00 218151.00 169950.00 185872.00 235271.00 124726.14 116616.05 138127.48 162331.02 195823.55 156753.64 200770.97 181806.59 187498.08 121832.03 125820.63 158693.34 56746.00 60382.30 62203.11 42254.38 61250.55 81524.77 89646.09 105489.77 70895.45 136460.20 94872.52 94391.91 138677.70 148402.55 159122.03 160859.42 137558.41
Laccarin
- 71163.00 16972.00 309679.00 153490.00 150457.00 243581.00 88331.00 113206.00 390680.00 178194.00 496099.00 181293.00 566222.00 167856.00 156973.00 107456.00 201447.00 347941.00 89532.00 24442.00 190099.00 200484.00 215510.00 261121.09 137320.59 226862.03 96816.98 16785.51 108641.61 127741.53 177721.62 145901.27 186064.42 168473.48 149289.42 86880.00 47331.87 118846.41 293677.44 128177.64 98918.34 62495.47 140997.11 570855.19 141711.41 447464.44 183742.30 533682.38 287794.41 299845.72 261984.94 186497.42
L-Alanine
251158.00 205560.00 145217.00 96559.00 163969.00 262333.00 161359.00 219885.00 265094.00 193851.00 277373.00 210019.00 303510.00 269956.00 284153.00 258754.00 391457.00 428099.00 470151.00 398930.00 501529.00 614731.00 604462.00 557507.00 374831.34 280236.34 389159.66 334972.62 431592.53 414045.16 583476.62 594049.06 737709.69 396578.81 496734.53 609819.06 141557.00 230515.62 183569.03 107755.27 172667.77 197238.83 230269.95 332986.44 147601.02 226505.86 280871.69 196458.09 495754.62 755547.75 742882.88 738931.94 400763.97
L-Arginine
1001957.00 543891.00 622690.00 212033.00 1203967.00 1892229.00 863925.00 1217006.00 1663698.00 1048948.00 1692956.00 978386.00 2815948.00 2110370.00 2436319.00 2775879.00 5621090.00 5088450.00 3269347.00 4650303.00 6073833.00 4265359.00 5693025.00 5453575.00 3281005.00 1923993.88 2763888.00 2825084.25 4271545.00 3111707.50 4170380.50 3249891.50 4312398.00 2205330.75 3457747.25 3598024.25 598120.00 1251001.38 649990.69 296249.19 926999.88 1224418.75 1588254.25 1238815.62 665068.94 1819135.75 1351353.50 1171607.12 2824489.50 3349890.25 3457018.00 3506226.50 2619198.75
L-Aspartate
243164.00 205208.00 181225.00 103868.00 361725.00 430861.00 253828.00 301229.00 396615.00 300179.00 374358.00 238392.00 566401.00 482628.00 540986.00 569995.00 927639.00 836196.00 789151.00 808082.00 771585.00 757369.00 871320.00 794737.00 574331.19 426292.94 567435.62 574313.25 740061.69 713913.38 807531.81 787177.56 893248.12 483095.53 648764.50 644059.94 190931.00 319442.84 216257.83 145583.98 219984.44 282198.66 284790.47 302602.25 258270.34 428258.28 393585.34 260096.47 483578.31 718182.62 722208.81 806724.94 515869.62
Lauroyl diethanolamide
134642.00 66644.00 83953.00 52765.00 58527.00 99162.00 74215.00 80928.00 65982.00 47804.00 69304.00 74503.00 98891.00 85101.00 100392.00 97185.00 124606.00 113957.00 96098.00 105845.00 156166.00 120031.00 155407.00 147573.00 117475.26 99591.28 83252.04 83825.88 123166.41 94930.52 108041.26 133568.34 106584.83 76408.67 73603.69 104933.95 48209.00 95207.23 51079.38 26566.32 52716.92 65505.47 116880.65 116441.77 55178.32 68465.07 55449.14 63434.14 118081.15 229574.12 225065.91 195825.77 118192.44
L-beta-aspartyl-L-leucine
906785.00 903014.00 1033101.00 3382771.00 804147.00 699274.00 530088.00 638497.00 1243363.00 1282376.00 660130.00 1055406.00 861215.00 756874.00 811343.00 571802.00 515480.00 909155.00 1161528.00 630456.00 585470.00 1102685.00 653936.00 537230.00 1022502.88 883718.12 946059.56 751630.94 663157.06 1376800.50 796511.38 1123992.75 1046224.00 1103851.00 766996.19 738997.19 745686.00 510391.53 922150.44 1328681.12 859279.94 653601.81 572449.56 2265817.25 1620589.62 674741.44 856626.44 496829.78 825391.25 834121.88 824253.56 851400.81 934973.62
L-beta-aspartyl-L-threonine
- - - - 35168.00 47950.00 25082.00 16834.00 25567.00 25637.00 22054.00 28762.00 65640.00 64873.00 52537.00 51698.00 100365.00 79759.00 45318.00 77375.00 97767.00 80037.00 85819.00 75422.00 56167.12 38131.77 67713.02 43614.03 112743.74 82303.97 95606.21 92923.64 90131.57 37361.48 62745.34 77323.69 16998.00 20618.79 12593.26 - 17684.22 14886.17 37434.91 20538.51 - 34091.35 32817.46 28170.81 69780.42 123883.28 111445.24 115423.30 54686.44
L-Carnitine
49915.00 117144.00 52535.00 83061.00 95013.00 41694.00 68662.00 69016.00 76660.00 102046.00 68650.00 85943.00 183317.00 111722.00 90963.00 60101.00 66218.00 38523.00 154298.00 119528.00 85067.00 40315.00 81145.00 116722.00 27967.01 172164.00 115656.66 81859.34 63440.78 132660.20 139383.66 70956.62 119705.41 121577.67 77633.27 103745.66 45668.00 70876.90 113529.20 170186.31 128417.96 57525.37 37544.05 219597.11 106265.60 74219.95 66390.59 102422.70 42080.78 59513.01 90185.04 124310.27 110268.24
L-Citrulline
48349.00 27086.00 34942.00 12854.00 42703.00 77076.00 48800.00 51845.00 56682.00 46343.00 73646.00 52220.00 117373.00 86441.00 84948.00 79012.00 151173.00 143889.00 118927.00 193501.00 194186.00 168547.00 185837.00 216701.00 126494.61 86447.09 80955.24 113940.34 157252.56 104587.35 128322.92 115766.24 117539.63 73141.70 99827.02 126075.67 33757.00 61782.30 49910.15 14075.89 32788.77 44152.57 77777.84 87889.07 30656.34 59600.04 55460.78 52264.87 130877.84 130445.50 107897.19 108925.48 98786.16
Leucyl-Histidine
451938.00 279465.00 263225.00 153840.00 444766.00 686776.00 316607.00 440427.00 570666.00 365781.00 546306.00 410132.00 735727.00 681636.00 601081.00 634140.00 1128668.00 1073621.00 927461.00 1014669.00 1168458.00 1086388.00 1257059.00 1151451.00 759888.19 558580.06 773294.00 659795.62 1118983.75 841689.06 1090009.88 880895.00 1295796.88 806331.19 971846.25 1047235.12 263658.00 514249.91 303431.53 172962.05 274641.88 233068.52 360659.50 386368.47 253600.88 589203.44 537604.50 351568.50 1037134.56 1741086.62 1844357.50 1804288.62 744471.25
Leucyl-Hydroxyproline
18611.00 13222.00 15118.00 - 43197.00 48238.00 19873.00 19374.00 32108.00 24682.00 41238.00 24637.00 60253.00 61697.00 47204.00 30720.00 75010.00 51369.00 35486.00 64417.00 66350.00 72534.00 94748.00 72915.00 64501.60 52087.34 51024.93 21784.08 67907.82 50042.52 67691.66 53701.77 87991.18 58587.05 63673.17 65352.36 20231.00 24095.31 35706.22 14812.83 23662.75 38204.08 43037.84 12425.09 15555.01 38441.57 45830.30 34670.46 65044.09 102013.16 117139.59 55159.88 52128.53
Leucyl-leucine
37296.00 17997.00 63991.00 19687.00 19063.00 67157.00 84699.00 56815.00 74330.00 20256.00 33361.00 28021.00 138403.00 240506.00 155880.00 178672.00 124414.00 267732.00 262138.00 188888.00 309147.00 114437.00 285466.00 194995.00 120957.02 106916.02 154410.42 155093.00 155475.30 159086.77 230720.77 138510.23 49390.77 36382.86 66352.46 145513.75 12582.00 13461.79 11725.88 25059.74 36886.54 43276.35 69462.45 74598.40 15949.21 84244.20 68347.77 42833.64 43814.46 258622.73 287494.50 264388.88 208829.61
Leucyl-Threonine
85622.00 73705.00 59229.00 39975.00 108027.00 112545.00 94651.00 93106.00 143261.00 103657.00 142332.00 85636.00 218825.00 138666.00 167897.00 160651.00 235892.00 191579.00 221206.00 292745.00 147790.00 326705.00 276845.00 307409.00 183903.97 128349.37 175142.22 189803.14 198374.44 171637.70 229953.62 214801.36 308639.44 144544.20 139611.02 228645.80 33664.00 102321.15 80478.61 60451.31 75757.48 86717.17 121473.55 105053.82 82491.48 130152.80 144661.38 78139.11 295350.41 584114.88 552882.94 542584.25 219816.70
leu-FMDP
- 790259.00 75965.00 3135361.00 306938.00 212603.00 1810859.00 239933.00 438537.00 1062642.00 156699.00 1261636.00 2119651.00 2203982.00 1061843.00 1058024.00 41141.00 503061.00 2656704.00 291184.00 137202.00 1498760.00 316370.00 250853.00 223972.64 539122.94 1248765.62 322080.00 55674.80 389186.25 372784.59 961512.12 132706.81 212434.19 130203.01 167787.75 202698.00 74756.67 588216.31 2271007.75 268341.88 95265.35 162513.78 831699.56 2693204.00 150141.73 575955.12 63216.80 793717.50 1048876.25 1032437.38 959335.75 787401.62
Leu-Gly-Pro
287816.00 1299437.00 447946.00 276941.00 1017125.00 582053.00 477741.00 973934.00 544707.00 801308.00 502885.00 402982.00 602009.00 543636.00 330433.00 554974.00 394088.00 296035.00 660303.00 1263637.00 942798.00 277112.00 1197796.00 1562856.00 109810.43 1263148.62 1284334.62 773454.06 454736.38 1653350.62 1594223.00 1110273.50 1215496.75 1498619.12 431002.16 1299568.00 432067.00 449867.66 1372526.62 763480.94 1293072.62 290308.44 202138.67 2887605.75 436951.06 280996.75 924221.88 1233252.38 954686.31 816287.62 804163.19 862145.75 872161.25
Leu-Pro-Pro
448716.00 273342.00 399037.00 152903.00 2044495.00 3070564.00 1617347.00 1704939.00 3440664.00 1914221.00 3431338.00 1592643.00 7987154.00 5157989.00 5268521.00 6599617.00 13576201.00 14433934.00 10018371.00 10764504.00 21825464.00 17370078.00 17667678.00 14244425.00 4992606.00 2869543.25 5184255.00 4214339.00 9724627.00 8146944.50 10527826.00 7859683.50 11406949.00 5411728.00 9682475.00 9359677.00 693912.00 1299622.75 767199.38 388640.97 1030985.19 1702079.38 2333651.25 1662814.25 1458694.25 3934679.75 2409195.00 1723003.75 7853788.50 19671346.00 21915756.00 20087850.00 6202441.00
Leu-Val-Pro
133272.00 329915.00 195505.00 438008.00 298684.00 300669.00 451752.00 293323.00 309804.00 312757.00 211869.00 309326.00 1030143.00 720814.00 886117.00 791520.00 248792.00 604584.00 1113439.00 541290.00 280902.00 745677.00 503711.00 454123.00 562244.12 726760.31 1061476.50 686214.69 306394.50 646877.06 644452.75 957330.62 274995.88 260711.89 316196.81 377442.81 225492.00 162130.98 369767.28 479037.09 287703.69 234751.70 348097.88 1013698.19 443650.91 118739.80 448321.34 146700.55 303097.22 560458.38 481808.47 544709.25 472073.59
L-gamma-glutamyl-L-isoleucine
37296.00 17997.00 63991.00 19687.00 19063.00 67157.00 84699.00 56815.00 74330.00 20256.00 33361.00 28021.00 163414.00 227823.00 167087.00 178672.00 124414.00 267732.00 262138.00 188888.00 279580.00 114437.00 326059.00 199296.00 136385.77 106916.02 184741.56 177410.39 144489.06 159086.77 230720.77 138510.23 49390.77 36382.86 66352.46 145513.75 12582.00 13461.79 11725.88 25059.74 36886.54 43276.35 69462.45 74598.40 15949.21 84244.20 68347.77 42833.64 43814.46 258622.73 287494.50 264388.88 208829.61
L-Glutamate
55002.00 33264.00 28476.00 18770.00 46371.00 86130.00 29810.00 51959.00 61733.00 50026.00 72322.00 50094.00 117163.00 70685.00 110896.00 119790.00 106549.00 127703.00 116139.00 137065.00 68461.00 80574.00 100680.00 131302.00 133312.52 77678.17 144393.75 123388.53 106278.88 101232.61 134610.41 109451.10 131228.23 57537.42 76866.47 105324.02 - 65316.77 54576.38 17905.32 24098.35 49616.12 71137.14 81967.23 - 25963.70 53599.20 22496.23 117774.46 169504.28 193850.30 160838.42 98362.86
L-Glutamate 5-semialdehyde
90974.00 57311.00 65595.00 37008.00 40374.00 55500.00 42091.00 45867.00 64200.00 35178.00 56243.00 33671.00 68593.00 55466.00 82888.00 90295.00 80968.00 62883.00 55039.00 97811.00 75331.00 49086.00 62068.00 103461.00 130287.23 93532.24 108078.75 113561.40 96713.41 82293.41 92490.34 83031.13 78423.36 60582.77 52925.60 66764.76 30387.00 45536.74 32550.71 17795.70 78902.73 106858.80 99868.89 103339.68 35490.16 59310.61 54038.76 68826.12 67802.07 64323.46 62546.00 61261.53 78972.10
L-Glutamate methylester
- - - - 53100.00 71668.00 64566.00 96291.00 78303.00 69469.00 93680.00 62540.00 83204.00 79305.00 75356.00 85556.00 115830.00 147524.00 139892.00 179881.00 119137.00 107967.00 153796.00 134389.00 100816.73 74753.54 92134.54 102700.98 187180.62 188758.36 221567.22 159453.36 143859.56 87990.73 120064.85 159922.98 - 30497.49 - - 28310.12 54060.10 77143.59 93049.20 27620.92 78356.08 70093.91 83219.18 354434.06 181738.08 237022.67 278220.94 134876.69
L-Glutamine
436249.00 228549.00 246177.00 116321.00 254329.00 307200.00 178462.00 256905.00 246141.00 168328.00 359335.00 187833.00 429858.00 468060.00 504885.00 579292.00 704716.00 656769.00 525978.00 753447.00 762421.00 320101.00 583302.00 571899.00 573225.19 446220.25 621178.19 630723.56 596983.06 481277.09 712220.31 601565.56 499431.50 276514.16 375500.19 425944.06 191266.00 330508.59 226677.25 121906.23 185144.03 274736.12 365731.38 325622.09 117285.89 179718.00 202943.16 141618.00 706754.94 532772.81 432829.44 477645.59 518867.78
L-Histidine
4092780.00 3186030.00 2806317.00 2618657.00 6716791.00 9125065.00 9119533.00 6740893.00 8625926.00 6210365.00 8651962.00 5831566.00 16579367.00 11282147.00 12403967.00 13249033.00 22400608.00 24513314.00 28517912.00 21350188.00 20003256.00 26129702.00 26508302.00 22925116.00 13508437.00 10819203.00 18653118.00 13881013.00 19837358.00 18148504.00 25256764.00 24864440.00 23373034.00 11834233.00 16841876.00 18832718.00 3185256.00 5971839.00 4779306.00 4247503.50 3610462.25 4450253.00 5258312.50 8035977.00 7115240.50 4598040.50 7046856.50 3394566.25 22887198.00 29458056.00 29914006.00 29430062.00 14039528.00
Linatine
42726.00 32578.00 24034.00 - 19444.00 40543.00 - 26327.00 40616.00 12637.00 39655.00 18365.00 81585.00 54532.00 65708.00 62645.00 130669.00 97257.00 64013.00 104116.00 135109.00 85441.00 159890.00 117814.00 86183.03 42943.29 80132.31 67433.66 64731.96 51860.59 78742.19 32210.97 83957.29 44073.11 56610.75 73677.34 12145.00 28770.65 22593.37 10877.97 21836.11 36393.20 36397.95 60046.87 - 23120.91 24079.88 13322.25 81407.12 215343.80 226127.94 208530.88 67117.83
L-Isoleucine
7928729.00 5848192.00 5054863.00 5555970.00 2199586.00 3516890.00 1313117.00 3257802.00 3430314.00 2109119.00 4539932.00 2838930.00 6497184.00 4247999.00 4236229.00 5477129.00 3435206.00 2157145.00 3957894.00 3374940.00 2849152.00 2923723.00 3426641.00 5414800.00 5936665.50 5408901.50 6322403.50 7050151.00 3948134.50 2501754.50 3016116.00 3696980.00 5900501.50 4076979.25 2859266.00 5346093.00 2123335.00 5069858.50 4230902.50 3851551.50 3320274.00 4575083.50 5128681.50 7188189.00 1587225.12 1422123.88 2921053.25 1364393.62 4890386.00 8490524.00 8260291.00 8493292.00 5290674.50
L-isoleucyl-L-proline
53528.00 72616.00 56160.00 66717.00 95324.00 166527.00 128053.00 138884.00 127118.00 205339.00 120873.00 116367.00 255202.00 260555.00 208281.00 222569.00 126432.00 189672.00 350593.00 203247.00 125837.00 269517.00 193205.00 173973.00 255266.81 137539.41 227048.09 144135.41 130288.84 221742.80 239787.56 271277.31 210952.48 204571.05 237089.16 182516.11 137456.00 98279.42 129949.84 138386.23 81802.64 81257.55 113429.85 290919.91 186479.16 154681.09 186880.77 178727.02 194471.52 222815.00 235885.59 240086.98 208050.16
Lithocholate3-O-glucuronide
141594.00 98643.00 157416.00 102027.00 84418.00 110204.00 63250.00 52324.00 62690.00 51386.00 58770.00 23570.00 720536.00 543074.00 655071.00 659136.00 692444.00 640454.00 490634.00 468220.00 325537.00 375365.00 248271.00 235310.00 618681.75 412320.09 607635.12 427137.16 292960.38 260064.16 349293.38 314957.72 178357.17 79740.29 109690.23 144409.36 57375.00 86537.25 68991.67 54673.91 147053.97 238397.16 223932.39 222368.55 58048.56 89488.24 79982.60 70820.65 551818.75 981454.12 1061600.62 937201.00 292445.19
LL-2,6-Diaminoheptanedioate
59892.00 27986.00 20828.00 21886.00 - 21412.00 - 23592.00 24106.00 - 33394.00 - 27783.00 27884.00 35706.00 34859.00 61985.00 55469.00 62302.00 66052.00 31998.00 38578.00 67568.00 84171.00 32300.02 27380.24 45049.72 107893.43 32472.30 25652.74 38302.91 65624.12 56465.10 27619.31 55314.74 59648.15 - 43946.08 - - - 29981.74 38457.52 34601.54 - - 26204.22 - 24063.75 117754.98 142716.59 125393.34 49311.69
L,L-Cyclo(leucylprolyl)
368382.00 405220.00 286696.00 610602.00 264733.00 349972.00 228561.00 354252.00 542940.00 502817.00 415488.00 538858.00 412543.00 353497.00 211187.00 365441.00 265688.00 303800.00 908395.00 258353.00 231685.00 681690.00 530047.00 472691.00 295616.88 410593.34 270008.25 358003.59 288178.47 324089.69 381293.31 510735.00 585617.00 600033.06 473565.16 609918.19 173008.00 249783.45 265476.28 446786.34 234451.67 321402.75 288099.44 890689.06 505570.09 281306.41 614295.94 232889.73 162267.81 478549.38 507665.50 542144.81 405383.81
L-Leucine
4876227.00 4829074.00 4370935.00 2795289.00 5598971.00 7244143.00 4543710.00 6059022.00 7924891.00 5972183.00 6639335.00 4806022.00 11097180.00 9160524.00 8497296.00 10296753.00 9227889.00 10122895.00 9496734.00 9497387.00 8859997.00 11088217.00 10619198.00 10431215.00 8153457.00 6435690.00 8754187.00 7545831.00 10381263.00 10486712.00 10808751.00 10878920.00 11390824.00 10129640.00 10600342.00 10151304.00 3263975.00 5407872.00 3768940.50 2398589.00 4464831.00 5522187.00 6503157.50 11079309.00 5663643.50 9469187.00 8801326.00 6567162.50 7805169.00 9042722.00 8949482.00 8905336.00 9304691.00
L-Lysine
6116209.00 4653500.00 4170345.00 3125390.00 8087212.00 12887047.00 7278858.00 8651166.00 11376459.00 9190068.00 11818454.00 8216990.00 20084100.00 15556575.00 16176673.00 18056938.00 25897820.00 22048740.00 27402118.00 26080802.00 20765212.00 33257440.00 28230618.00 27246494.00 16508107.00 11489741.00 17204652.00 16136887.00 20072854.00 19790884.00 26474710.00 24248496.00 26424754.00 15274409.00 18716082.00 23575842.00 4459090.00 8298804.50 6622817.00 4210434.50 4564813.00 6846566.00 8304136.50 10963656.00 6668578.50 11061229.00 12151618.00 7560658.50 26293706.00 49377504.00 49875556.00 48436288.00 19873806.00
L-Lysine 1,6-lactam
26431.00 25237.00 29793.00 27900.00 58174.00 99508.00 70312.00 62323.00 73047.00 47569.00 85957.00 49617.00 100810.00 127704.00 167938.00 111962.00 139746.00 157096.00 147781.00 152395.00 147891.00 183611.00 184432.00 137841.00 79417.59 66044.55 129833.36 79302.23 166075.09 164566.17 164449.41 121837.05 178860.08 108383.52 148420.16 118967.16 34557.00 40414.47 40219.40 45354.09 61031.80 68289.62 119854.98 85671.43 50105.68 111996.00 90944.48 57830.11 90523.40 99794.80 104163.10 102463.71 96238.05
L-Methionine
82521.00 68553.00 100371.00 37423.00 368219.00 336255.00 457672.00 329539.00 341448.00 175263.00 391328.00 167010.00 729425.00 615267.00 1266110.00 1492928.00 1582684.00 1804615.00 1586809.00 1477006.00 1120118.00 1215547.00 819276.00 879494.00 1000448.81 593902.44 1925560.62 1306912.38 1219137.38 1422844.00 1988983.88 1595340.62 932673.81 453305.91 846677.94 763370.62 167396.00 144816.41 164134.58 72670.59 197044.70 318303.22 736539.81 380507.91 112204.65 583710.25 248813.62 133075.62 401603.81 594771.44 554780.50 582736.31 448179.97
L-Methionine S-oxide
408919.00 307091.00 268086.00 134215.00 287230.00 518694.00 214329.00 308135.00 480131.00 308295.00 495781.00 326600.00 604226.00 434301.00 566655.00 579741.00 964206.00 761944.00 786731.00 977177.00 742540.00 1076234.00 1131616.00 976135.00 870344.31 582972.75 956473.94 849661.31 1561587.62 1071355.12 1710618.75 1324169.12 1460552.12 629170.19 1075313.38 1265032.75 134823.00 352684.22 137481.42 195030.70 271050.16 323567.12 406172.50 455437.56 238391.88 483182.75 655633.75 385638.44 1777155.12 4109213.50 4051265.75 4073920.50 777523.38
L-N2-(2-Carboxyethyl)arginine
246885.00 185457.00 171533.00 90412.00 86379.00 127325.00 59610.00 122462.00 140005.00 100079.00 136744.00 106854.00 146391.00 122894.00 124693.00 159061.00 138921.00 113513.00 110106.00 155801.00 136755.00 96261.00 162264.00 197475.00 201881.14 154399.22 205420.39 224949.00 173201.12 121947.51 162780.58 141001.83 193179.11 163135.84 132054.22 170526.75 87149.00 180870.45 102900.49 83252.07 146040.64 148103.00 120836.34 206920.16 90339.67 109372.66 133524.55 128971.12 93622.45 190047.94 222387.58 181813.92 149392.19
L-Ornithine
171426.00 92516.00 152667.00 126840.00 279242.00 506125.00 225160.00 350428.00 265120.00 353025.00 324195.00 240810.00 387914.00 391351.00 470661.00 339718.00 395159.00 381163.00 455946.00 511213.00 518390.00 598010.00 554809.00 576008.00 570239.81 350490.00 496688.28 370369.28 527693.00 551013.25 558074.44 481994.41 532382.75 462375.28 629347.19 512818.84 219067.00 225757.30 279749.25 178888.55 187030.22 176121.69 278713.81 338869.06 202129.36 367057.59 344261.53 384740.69 322892.44 443073.38 463484.28 420559.31 518535.56
L-Phenylalanine
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 9222743.00 11463733.00 12520116.00 15566113.00 16672450.00
L-Proline
429836.00 295688.00 303797.00 167293.00 324895.00 344505.00 318980.00 351309.00 397176.00 269591.00 446265.00 384718.00 520085.00 436703.00 594581.00 864053.00 501510.00 507191.00 564281.00 796443.00 374694.00 442264.00 641090.00 660207.00 969913.69 647878.38 1229992.75 939143.94 542353.44 509417.12 701690.25 751521.06 619576.69 525724.06 488438.12 685059.88 230604.00 335421.69 321624.69 210822.06 265100.19 352734.25 487580.72 463666.91 138911.84 293302.12 442028.94 308413.25 520604.31 602905.19 694812.44 626290.06 512375.72
L-Serine
- - 21151.00 - 15140.00 51786.00 53459.00 58112.00 52973.00 12699.00 104620.00 60915.00 79955.00 80443.00 128728.00 93316.00 146433.00 101008.00 149791.00 150432.00 262150.00 220848.00 336775.00 285235.00 78404.24 38613.52 104644.57 75231.63 111332.57 91688.13 181633.31 135079.55 124074.51 81270.23 200233.77 164999.17 - 24431.12 46728.95 26562.34 18009.23 38601.79 52736.00 61577.35 19720.90 53580.19 90666.60 107552.20 157131.17 209495.34 210201.23 224389.11 91589.23
L-Threonine
93531.00 72150.00 64114.00 23764.00 129923.00 179428.00 88238.00 110234.00 152615.00 122709.00 163077.00 104081.00 266246.00 193340.00 222294.00 275635.00 398597.00 373854.00 339876.00 352295.00 341873.00 449785.00 421215.00 353719.00 260080.09 163949.22 273598.31 240027.64 323299.69 325682.75 394926.28 352055.44 412762.91 216396.59 325408.84 358054.94 63027.00 123646.93 94678.47 47244.45 83559.77 116783.18 127424.31 112166.05 72369.50 174062.89 159706.16 106777.46 524083.00 846990.56 866760.38 902688.81 278727.78
L-Tryptophan
610556.00 362820.00 366946.00 168005.00 418385.00 565749.00 271376.00 516479.00 526562.00 358769.00 545106.00 392607.00 740910.00 555560.00 718715.00 978970.00 955402.00 739709.00 703642.00 923629.00 516999.00 680588.00 1034700.00 887431.00 1204484.00 757244.25 1285173.88 1209939.25 790636.88 644192.69 926445.50 906011.81 1036845.69 679865.00 601584.56 786220.50 297442.00 602147.88 450555.75 242480.91 334721.56 531289.94 521726.94 592506.94 183742.70 320543.12 417173.56 283914.56 375036.47 1559483.25 1444211.00 1303109.75 890430.81
L-Tyrosine
287542.00 220831.00 204049.00 144577.00 419699.00 667554.00 336297.00 418024.00 559712.00 428006.00 657388.00 416536.00 1054761.00 794929.00 785546.00 851306.00 1132517.00 1052303.00 1310851.00 1203413.00 971797.00 1456810.00 1380869.00 1096191.00 890176.50 613477.88 997407.06 779103.25 1010442.75 970165.06 1208046.62 1141656.25 1264805.25 629480.94 1030472.19 1040060.12 248663.00 383318.56 306730.41 231667.11 247622.83 358958.94 410390.81 536558.12 316796.66 592313.06 571758.94 350633.34 1429482.62 2887620.00 3076841.50 3058233.50 940938.44
L-Tyrosine methyl ester
105176.00 81097.00 62592.00 25453.00 67529.00 98631.00 21098.00 45242.00 35633.00 24454.00 111510.00 57564.00 89728.00 80868.00 94173.00 144982.00 106486.00 78082.00 84622.00 135170.00 50306.00 39187.00 87273.00 103810.00 136611.88 103257.23 167576.61 165860.92 115485.92 53384.00 114255.04 108466.28 101558.56 71165.31 34456.44 95106.76 30289.00 93784.59 62271.28 19134.44 63716.59 98699.54 100732.45 124333.31 - 23051.29 36026.05 28691.03 76215.34 119376.88 129987.73 108067.58 111519.24
L-Tyrosyl-L-arginine
510936.00 811447.00 551096.00 1038546.00 157540.00 365075.00 267968.00 148726.00 620104.00 640049.00 347481.00 488853.00 525833.00 482116.00 434019.00 501042.00 291821.00 451288.00 570342.00 299395.00 322503.00 191867.00 119277.00 124064.00 532779.88 416895.09 395632.66 353691.16 362725.69 629813.38 384782.00 536958.94 600117.19 562387.38 419287.66 358356.19 357600.00 308083.22 478190.16 512673.25 492943.56 322137.16 283057.22 1201450.00 644286.06 342022.97 462328.19 278915.88 661865.00 442245.44 502147.97 410730.78 447694.47
L-Valine
107012.00 50342.00 111335.00 71747.00 67841.00 90626.00 350094.00 164429.00 98466.00 64128.00 445124.00 422765.00 324668.00 234190.00 498892.00 567120.00 646270.00 506231.00 768642.00 1018016.00 629567.00 650276.00 1261598.00 1306037.00 230559.41 182164.92 684619.69 280698.66 419786.16 356412.66 1217181.25 854655.62 342085.12 134765.56 1397256.75 1171093.88 54075.00 102144.01 308269.38 42153.27 56993.12 64392.67 174751.55 266837.62 51423.83 127204.70 1034044.25 788410.88 621270.56 887011.44 954884.38 1099613.50 570340.44
Lys-Gly
507933.00 1388760.00 1186920.00 1009971.00 678380.00 920927.00 1413996.00 1077562.00 1423283.00 134422.00 713541.00 2178989.00 395786.00 936719.00 1366048.00 1409737.00 1294462.00 595665.00 926269.00 1617667.00 174397.00 657815.00 239973.00 817576.00 37010.46 1273632.12 667548.38 1811402.00 2142730.50 301464.97 491932.94 1316254.25 1359401.62 206849.61 1114153.12 543430.31 20552.00 389117.91 379118.72 251419.61 1335590.12 998395.69 109080.04 661708.88 998388.75 1690436.50 1979614.12 750377.94 858338.12 882932.88 945377.12 999440.00 1005510.25
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine
51416.00 31532.00 32576.00 - 54337.00 74769.00 28172.00 47761.00 84895.00 49300.00 64621.00 39600.00 133873.00 123111.00 101101.00 125518.00 250300.00 253269.00 145525.00 233217.00 224487.00 221866.00 246982.00 277585.00 143500.17 95539.29 145203.03 105199.93 185006.58 138827.95 172193.30 127632.11 226786.58 92074.74 150299.78 181936.88 33319.00 61392.59 30843.72 14216.21 41659.00 45508.90 73617.70 66733.38 22257.15 58058.18 59138.82 51479.33 186668.44 530229.88 622476.06 558119.25 126655.84
LysoPC(16:0)
130765.00 134458.00 86503.00 83367.00 119370.00 101441.00 123469.00 110116.00 118668.00 179013.00 129057.00 130625.00 115335.00 111808.00 93697.00 86324.00 79031.00 59325.00 29712.00 64951.00 39776.00 61280.00 88987.00 109490.00 294354.72 250338.77 86970.69 162822.98 116016.55 131656.55 104620.81 113251.40 134096.55 199446.31 136782.62 148642.91 124567.00 119276.38 125290.79 88323.34 146485.45 207817.88 204205.67 222662.94 124852.13 168109.95 184208.41 200821.20 61417.80 68070.86 85533.52 75589.85 132551.11
LysoPC(18:0)
24237.00 24354.00 - 21740.00 26426.00 53379.00 23201.00 37772.00 26635.00 21895.00 27665.00 18938.00 116178.00 65691.00 112786.00 95344.00 119954.00 89526.00 127526.00 111543.00 88619.00 108715.00 108344.00 118372.00 141093.62 95530.04 124759.70 103028.02 36985.61 57798.30 91630.29 72288.42 60332.13 31095.43 59928.98 69275.10 - 21439.90 38609.40 42363.52 126127.59 115288.42 114576.92 107394.72 28695.74 78795.83 50993.55 59442.51 11133.54 155902.20 139384.86 135837.19 92453.04
LysoPE(18:1)
29093.00 19770.00 15513.00 - 11186.00 39945.00 - 14499.00 22352.00 14613.00 34763.00 12223.00 50391.00 29442.00 27018.00 41796.00 80634.00 54892.00 57114.00 57601.00 53114.00 75406.00 84531.00 76087.00 38859.22 24122.32 33521.54 42846.48 46059.23 39419.87 66701.06 50155.57 78755.46 31777.19 53618.44 61679.32 - 27239.45 14823.33 - 14108.32 30197.18 19894.36 32579.82 - 19145.67 21404.82 - 106910.29 197240.39 194862.61 201244.33 50735.25
Lys-Pro
17401.00 - - - 16445.00 - 169216.00 44257.00 53862.00 13089.00 33603.00 - 586648.00 1062876.00 706472.00 796969.00 827895.00 1379085.00 871039.00 671119.00 582687.00 446043.00 137163.00 151200.00 250273.70 127021.07 872326.56 464616.22 742538.38 626578.88 1095091.88 698570.31 130992.06 40522.59 134093.72 196882.53 - - - - 24426.95 84611.76 158723.69 204730.77 12228.38 129767.01 35531.69 - 112636.08 118437.98 108294.97 100138.33 92255.21
Lys-Pro-Pro
17597.00 - 18125.00 - 11768.00 22440.00 16299.00 17822.00 29733.00 10110.00 16285.00 9500.00 13816.00 34018.00 12831.00 - 17905.00 45381.00 20719.00 21531.00 52883.00 20374.00 34951.00 25623.00 20270.35 12045.72 17651.58 15226.96 46274.01 25476.19 29553.54 20180.29 24105.63 28249.91 20321.22 42411.84 - 12600.05 - - - 8249.25 10896.97 12631.64 8667.09 20126.12 15851.90 17807.01 46097.07 123445.98 128053.91 122545.70 38297.52
Lys-Thr
56535.00 - 19623.00 - 17989.00 53182.00 16233.00 48497.00 13234.00 15477.00 48727.00 21452.00 107776.00 87125.00 49678.00 101809.00 135475.00 62696.00 119173.00 117465.00 63914.00 54929.00 97287.00 139212.00 98568.03 60920.38 90254.56 142014.47 122659.98 68563.73 71091.14 80072.73 80140.96 45257.78 53429.45 67648.85 16191.00 73893.91 35292.47 32258.98 22816.12 43295.50 71783.33 115416.45 - 44707.94 44934.78 46208.75 59612.05 136509.30 152601.44 173187.02 116972.09
Lysyl-Histidine
- 37708.00 - 58691.00 39567.00 62358.00 57465.00 65097.00 41238.00 38116.00 73556.00 62934.00 288616.00 317869.00 172229.00 151477.00 80417.00 118633.00 315999.00 175187.00 28510.00 224821.00 117898.00 167807.00 56854.46 83372.83 118155.96 117378.63 75519.24 82786.96 141423.36 147736.33 94258.45 48568.98 87331.09 87842.59 19191.00 21083.99 51327.14 69570.69 25515.17 61698.56 56329.31 226483.77 80306.03 52502.34 106307.47 20458.36 136698.25 240789.34 281981.53 275705.72 165630.19
Maculosin
163355.00 139809.00 147918.00 95381.00 48446.00 85032.00 - 39913.00 103796.00 50517.00 100314.00 73684.00 88826.00 60268.00 74425.00 134589.00 94065.00 75976.00 88781.00 89013.00 54443.00 61761.00 80899.00 98775.00 116061.92 98950.84 103019.90 131139.64 85490.67 40321.39 99490.76 88815.24 113295.43 84333.48 90835.05 99759.34 71295.00 96112.98 77582.27 29199.85 81177.62 123244.61 107405.41 156719.56 55785.11 84294.98 98236.40 81005.71 76175.28 98275.62 96632.77 82477.73 86727.93
Mannitol
29074.00 17598.00 14218.00 - 68836.00 85920.00 56811.00 66001.00 70134.00 57833.00 63011.00 52373.00 120276.00 133487.00 141012.00 168355.00 203273.00 218313.00 191228.00 202447.00 173978.00 145445.00 175161.00 149380.00 122318.17 98467.50 144792.80 148427.52 126762.34 134464.39 194957.97 154616.28 123308.83 76804.37 123962.48 119891.01 43925.00 58686.12 42302.71 25037.79 38542.98 50216.48 62498.22 68659.02 33755.71 93048.92 62912.72 56405.51 105176.93 129528.17 133147.30 112190.94 104050.14
me-iP
766702.00 623090.00 487553.00 436607.00 334031.00 512844.00 154532.00 507339.00 471139.00 258983.00 737868.00 405239.00 562222.00 404975.00 398856.00 535907.00 610593.00 394263.00 549036.00 599151.00 412062.00 449730.00 674396.00 1040694.00 651672.12 566535.88 611128.50 693403.25 514400.44 315697.16 484786.59 415143.34 764921.06 605549.56 470227.84 741053.94 258638.00 652083.94 461232.97 307866.72 380791.91 605778.06 703803.12 1101501.62 167084.62 287817.47 435091.78 235700.62 1853015.88 1392606.38 1406572.12 1653666.75 834025.56
meso-2,6-Diaminoheptanedioate
41271.00 22130.00 87801.00 88994.00 192620.00 211313.00 285049.00 294323.00 223969.00 149522.00 370358.00 177605.00 560010.00 593416.00 947574.00 1509476.00 717250.00 827861.00 1515021.00 1237670.00 575604.00 592845.00 566982.00 819244.00 453329.84 620796.75 1011850.88 1117514.25 473214.62 718454.62 948034.31 1123513.00 364462.78 349576.44 547288.56 512074.09 112823.00 147760.25 177387.09 163867.56 198690.72 261648.56 421800.69 717160.62 137349.12 307277.78 309071.09 274142.34 107505.16 365748.19 380315.16 468530.81 638232.94
Metharbital
32239.00 100051.00 31250.00 75934.00 105961.00 115029.00 101603.00 133667.00 140619.00 101819.00 63356.00 140166.00 145854.00 157552.00 190794.00 208793.00 192020.00 192636.00 286292.00 313764.00 161662.00 261625.00 257732.00 271863.00 225241.16 121233.15 203344.23 279340.78 176314.78 222501.77 305453.66 283152.66 167504.92 134619.61 205386.91 214117.36 125966.00 50543.54 44071.54 53086.41 57291.30 49669.53 109047.34 458592.97 130661.13 126696.05 123719.64 88739.14 27733.58 316862.94 243623.05 249882.36 113578.49
Methionyl-Hydroxyproline
666598.00 274801.00 351557.00 167589.00 135819.00 234095.00 115202.00 168068.00 194120.00 123082.00 275872.00 185211.00 265473.00 155510.00 230652.00 276675.00 421241.00 259472.00 217126.00 318822.00 416313.00 235658.00 368809.00 537455.00 413754.75 369810.56 293651.81 518326.12 296255.28 208242.14 298860.84 224841.36 320276.31 169096.30 212428.67 273990.50 202144.00 445321.22 224967.14 105651.38 233098.38 422803.72 509424.00 536522.31 100539.09 106094.76 115106.22 117921.34 376544.62 500563.91 521392.06 528166.19 328692.41
Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid
745104.00 973533.00 1029350.00 827283.00 991958.00 1204524.00 712233.00 1195882.00 1334719.00 1401288.00 1084037.00 1065493.00 2032697.00 1537588.00 1746350.00 1907138.00 1252869.00 1043030.00 1444092.00 1379462.00 816564.00 1405988.00 1311495.00 1135810.00 2805887.50 2110526.25 2340090.75 2088284.12 1927231.75 1792996.12 2039895.50 1784580.25 1802772.75 2246127.75 1626048.00 1834116.88 1174164.00 1059969.88 1440219.12 1116107.50 2362983.75 3132436.00 3636850.00 5146301.00 1244642.88 3298500.75 2731321.50 2733005.50 4394502.50 2566634.75 2650454.00 2816368.25 2358786.00
methyl pyruvate
249690.00 256434.00 201940.00 132452.00 239334.00 269868.00 213171.00 250854.00 207705.00 214453.00 213708.00 214577.00 289110.00 256248.00 350785.00 341694.00 436063.00 402200.00 393174.00 364831.00 372298.00 419824.00 376218.00 308117.00 380368.84 318248.53 378870.59 305857.88 446402.41 391772.22 456497.06 539537.06 488138.75 514626.62 469372.00 647211.31 214059.00 253150.78 241740.16 168306.11 188030.55 229681.84 242302.70 333972.97 231974.34 463298.94 351778.00 389588.91 147276.14 357083.19 406692.91 340515.50 373267.69
Met-Val
67117.00 82520.00 63592.00 51438.00 82203.00 101701.00 151129.00 105575.00 67180.00 99188.00 106899.00 95772.00 180256.00 156889.00 617438.00 358647.00 213994.00 202617.00 317154.00 247316.00 148280.00 140350.00 159706.00 174793.00 189379.22 150546.95 296663.03 271357.56 137248.89 185934.30 258146.11 202007.81 133443.67 107851.74 168372.61 145780.12 107551.00 80099.59 102258.80 76584.26 91379.24 91181.69 200057.31 303525.25 80318.02 123534.70 94653.48 111802.96 97555.11 132387.02 124647.52 127727.15 153821.31
Montecristin
79728.00 55355.00 39553.00 29338.00 82286.00 127794.00 50252.00 78519.00 103212.00 92119.00 104654.00 72891.00 178301.00 117953.00 185175.00 184494.00 236022.00 216626.00 230528.00 231391.00 166722.00 280017.00 229832.00 151218.00 167774.62 116548.80 198024.53 166161.47 161729.53 170784.86 312073.06 228458.19 241677.23 147938.84 163986.94 195793.03 30641.00 85748.59 87749.55 57066.97 66038.23 98493.63 89119.27 106894.23 63583.94 115056.44 121512.69 78886.66 197775.28 289188.25 274348.56 283573.19 184748.48
Myxochlin B
34038.00 47082.00 33627.00 43554.00 33578.00 41785.00 33085.00 48359.00 39515.00 41917.00 39246.00 48645.00 45621.00 52308.00 55248.00 58445.00 22744.00 47430.00 64926.00 70037.00 53879.00 122951.00 72347.00 75542.00 38093.78 47295.00 63504.25 47830.72 44126.98 55414.54 58412.54 89873.39 52774.83 59191.46 74461.69 54692.89 22649.00 26523.30 37763.61 28303.35 28519.34 26118.61 37482.66 54312.80 23787.04 30188.79 68692.35 23268.81 42407.65 73419.02 78406.07 63943.94 57878.39
N-(1-Deoxy-1-fructosyl)isoleucine
28606.00 16660.00 29435.00 - 51440.00 87226.00 23349.00 29862.00 52655.00 27816.00 60972.00 43338.00 104754.00 75847.00 107788.00 102230.00 121919.00 115697.00 99590.00 164586.00 96900.00 83838.00 111864.00 129475.00 106755.11 92861.40 107638.51 128360.40 149036.17 135304.72 159683.69 160548.97 102305.91 56299.46 80236.72 91253.83 27254.00 54398.17 49984.82 - 40708.02 38513.17 54258.77 56415.54 - 27361.88 48870.04 24311.07 116593.89 256019.14 251719.72 197803.31 64763.96
N-(1-Deoxy-1-fructosyl)threonine
- - - - 113487.00 22376.00 212212.00 95209.00 64669.00 - 35514.00 64155.00 633347.00 289530.00 392668.00 358268.00 61520.00 141513.00 906958.00 252238.00 62950.00 164959.00 72058.00 85082.00 25817.23 293287.12 656556.56 255125.25 124491.27 427701.09 825033.69 803489.44 134384.41 87864.84 87161.63 70758.90 - - 33066.24 180093.53 - - - 117763.77 307047.09 53726.33 138865.19 22293.12 120330.80 116794.39 83142.47 131283.42 136054.44
N2-Acetyl-L-aminoadipate
220480.00 116785.00 193907.00 58765.00 180369.00 297483.00 178952.00 170212.00 248247.00 239295.00 416020.00 178348.00 1800891.00 945649.00 2237561.00 1879519.00 2472139.00 2145786.00 2611609.00 1840576.00 2440558.00 2542045.00 2855445.00 1844266.00 1039213.88 634882.81 1857463.75 1228256.50 944850.62 661081.12 1938863.62 1281875.25 1121060.75 377728.84 1030606.56 1106179.12 100866.00 162291.64 169852.59 75550.07 96384.23 167258.69 261789.06 88786.40 53223.17 150104.50 211256.77 105859.31 1630639.00 2477365.50 2541526.75 2467963.25 1005909.44
N2-(D-1-Carboxyethyl)-L-arginine
13288.00 6974.00 11154.00 - 51147.00 74726.00 54766.00 53389.00 73187.00 57570.00 86619.00 47549.00 77731.00 76044.00 96080.00 102212.00 214508.00 226227.00 224081.00 181385.00 285641.00 241119.00 271795.00 217964.00 78596.70 57557.99 94347.55 75992.62 152997.84 146100.86 197349.88 171203.78 172193.12 103823.24 165618.72 165787.31 20947.00 27752.30 26751.17 18019.79 20595.03 26310.32 30218.54 28491.00 36257.40 70597.49 61401.93 45415.97 92285.77 99124.30 108130.80 108947.27 93701.31
N2-Fructopyranosylarginine
88074.00 55744.00 58274.00 21153.00 67414.00 103755.00 65288.00 66295.00 35791.00 64512.00 69044.00 45994.00 138891.00 84631.00 154606.00 187286.00 150260.00 156445.00 147884.00 209210.00 106697.00 85773.00 157673.00 128601.00 182826.81 131842.31 233435.28 187487.42 127823.24 110132.44 206100.20 190323.72 96329.77 58065.29 81429.32 97730.98 53297.00 67577.92 55833.75 39561.16 22883.85 45474.57 72969.38 75245.85 - 25769.87 54719.82 29288.71 96987.38 265531.84 266322.03 236241.86 113610.76
N2-Succinyl-L-arginine
2539315.00 1455229.00 1490935.00 850267.00 659375.00 932487.00 341071.00 837033.00 842732.00 430702.00 1028947.00 574935.00 942351.00 568456.00 739031.00 1217010.00 1209574.00 735961.00 821383.00 916462.00 1034589.00 650324.00 1069577.00 1581359.00 1325169.88 1241260.62 1278252.25 1721204.62 1153000.38 672449.94 911891.56 883007.06 1318112.62 816919.12 749879.12 1148761.62 558309.00 1382900.62 797156.38 485261.12 951740.31 1252809.00 1287957.12 1765715.25 376668.69 397900.66 619324.25 328789.56 1739850.00 1742014.88 1764441.12 1761391.25 1113865.75
N2-Succinyl-L-ornithine
3395688.00 2955213.00 2584831.00 1604945.00 4439781.00 6363759.00 3151072.00 4037754.00 6186406.00 4345419.00 5976024.00 3938526.00 9023900.00 6758411.00 7394332.00 7450431.00 11686623.00 9912977.00 10861098.00 11071040.00 10303966.00 15521287.00 14396334.00 13316199.00 7460852.00 5079895.00 7333118.50 6928595.00 9866691.00 8971274.00 11335770.00 10731602.00 14546444.00 8547081.00 10557847.00 11896207.00 2420104.00 4194933.00 3393068.00 2072941.75 2584248.25 3819965.50 3688643.00 4805210.00 3346456.25 5715941.00 6063793.50 3611931.25 12367695.00 20310880.00 20243720.00 21763552.00 8511865.00
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate
15124.00 130202.00 32780.00 407670.00 34426.00 44283.00 404797.00 92417.00 - 51276.00 26551.00 215708.00 186404.00 300562.00 208012.00 138401.00 18795.00 66497.00 90632.00 31136.00 61244.00 138382.00 42801.00 114468.00 - 46641.03 195009.88 100285.93 13440.76 49018.61 48507.16 155464.30 154846.27 - 21558.62 56840.63 24897.00 30479.23 39509.05 196451.75 42398.22 28570.87 - 108500.34 114529.38 31927.73 253503.17 52475.93 81554.86 186673.67 188996.89 273964.31 237797.42
N-(3-acetamidopropyl)-4-aminobutanal
- - - - - 53913.00 30407.00 - - - 23723.00 - 88777.00 87301.00 84603.00 85397.00 89899.00 113269.00 115556.00 120139.00 91365.00 122048.00 93494.00 115823.00 69477.96 31862.25 104568.33 64060.98 72969.03 96540.19 112147.45 128840.59 87175.76 37522.93 63456.74 86384.12 - - - - - - - - - 28995.84 41835.24 - 145920.41 277602.94 305119.19 294659.34 76200.27
N4-Acetylaminobutanal
1266757.00 6840599.00 2037073.00 2236650.00 5510821.00 2875994.00 3954910.00 5638682.00 2990757.00 5297070.00 2660824.00 1939792.00 7395547.00 5298876.00 1682946.00 3092723.00 2581694.00 2636875.00 9698788.00 7097381.00 6149106.00 1887187.00 6381978.00 7329405.00 511197.56 8174630.50 8627051.00 4342707.00 2138045.25 9466129.00 8797361.00 5680752.50 6742472.00 7635868.00 2306870.75 7163267.00 2241278.00 2958538.50 7396637.50 9519788.00 6879528.00 1456636.12 1000225.06 10257430.00 5289125.50 1506528.88 5024391.00 5852521.50 2502287.00 4196557.00 4306957.00 4383580.50 4568219.00
N5-acetyl-N5-hydroxy-L-ornithine
33968.00 31976.00 30682.00 20744.00 107761.00 78404.00 98826.00 74346.00 87030.00 58718.00 117323.00 75657.00 178992.00 114328.00 284104.00 372759.00 343414.00 417404.00 351785.00 320496.00 272046.00 278487.00 191902.00 208110.00 212164.92 157494.98 403314.62 260182.42 279098.56 322681.12 449040.41 359005.09 222339.95 124198.98 201060.88 195119.55 46831.00 51064.67 60205.27 35959.48 47043.47 75714.81 171454.00 96728.24 57005.11 124478.64 78335.27 48511.84 114445.79 161328.30 158563.31 143823.42 107470.74
N5-Ethyl-L-glutamine
66931.00 46625.00 67025.00 26432.00 307784.00 427610.00 283895.00 295977.00 266065.00 189541.00 267538.00 198122.00 1092563.00 737129.00 1145951.00 1034711.00 1177939.00 1009894.00 763421.00 827794.00 858191.00 747878.00 692737.00 518939.00 1014951.88 794653.50 1303865.25 923608.44 862914.25 680971.75 955903.69 684865.44 406706.53 195233.73 328037.00 394544.53 172689.00 272321.94 219567.55 136494.44 285833.31 312346.75 351442.91 261651.22 51306.75 151720.14 104840.00 99784.55 783211.00 1870455.50 1921229.50 1876972.38 532657.94
N6-(1,2-Dicarboxyethyl)-AMP
317465.00 249263.00 211991.00 118215.00 442957.00 605584.00 424694.00 441337.00 468142.00 325670.00 510598.00 354177.00 830939.00 744533.00 923036.00 1019353.00 1231337.00 1090537.00 1044095.00 1361489.00 814879.00 831966.00 1213018.00 1078174.00 1165148.62 743391.50 1200328.62 1016077.38 1259142.12 1143829.38 1617898.62 1382386.75 953579.25 475629.38 730510.06 917101.06 214627.00 374920.25 267929.66 169129.91 313331.41 403412.47 649196.06 502643.47 171540.91 332712.47 433312.56 343062.03 950620.06 1399214.38 1363989.12 1294500.62 763399.56
N6-Acetyl-L-lysine
274474.00 149766.00 196982.00 136672.00 273064.00 420784.00 238672.00 296614.00 294176.00 255019.00 320905.00 225449.00 606974.00 621932.00 797726.00 823821.00 684452.00 525987.00 746387.00 963078.00 367611.00 503038.00 776117.00 720688.00 1178390.88 1012390.94 929146.25 847803.81 657505.31 535545.25 921640.88 827733.50 510070.12 263603.28 373642.78 499004.12 185147.00 245915.41 340855.47 186179.97 197996.78 176879.70 273231.31 289032.50 170233.14 226586.31 334493.62 155702.88 298823.25 402346.56 354011.75 348881.25 526057.06
N6-Acetyl-N6-hydroxy-L-lysine
98447.00 59277.00 54141.00 - 66179.00 98059.00 39115.00 70859.00 80311.00 32970.00 77027.00 56889.00 121276.00 90986.00 112687.00 135592.00 144090.00 125072.00 134321.00 178483.00 103968.00 89946.00 132512.00 140072.00 202741.20 114976.78 181560.30 182434.23 140580.55 110188.73 163514.92 148481.86 125987.16 80102.44 71292.33 117842.08 34360.00 95108.48 58265.57 32312.55 35514.39 73239.73 81177.06 86437.02 - 35787.11 57025.74 25987.08 134288.97 199174.80 238200.50 272209.34 115823.43
N-(6-Aminohexanoyl)-6-aminohexanoate
13824.00 - 54094.00 - 22461.00 46589.00 50398.00 47710.00 25279.00 42991.00 65773.00 20442.00 134226.00 115691.00 162130.00 213790.00 123370.00 149992.00 208706.00 133337.00 94692.00 130885.00 78477.00 155458.00 132023.17 98455.78 180786.56 110144.30 159411.36 129255.57 137995.92 187504.61 102718.01 128239.77 138101.58 100809.05 18842.00 8637.99 44359.69 - 25717.33 72841.34 98118.54 83762.20 - 115913.73 70123.09 91410.18 19401.48 79633.86 112941.06 137628.55 74415.96
N6-(L-1,3-Dicarboxypropyl)-L-lysine
39571.00 30517.00 32704.00 18705.00 302044.00 307281.00 328286.00 274836.00 178102.00 136181.00 260265.00 121324.00 519604.00 493273.00 574846.00 791196.00 1045980.00 1109052.00 818356.00 865472.00 653416.00 484125.00 606544.00 511113.00 559715.00 442158.47 678748.94 677030.31 767374.00 777773.25 897900.12 775821.81 477587.81 253750.83 491507.91 377015.81 109115.00 155194.83 140285.42 91855.88 77125.46 88853.95 117528.89 49969.75 121304.97 176524.17 226007.92 177302.06 428369.06 539713.06 507026.78 560528.50 445823.50
N-Acetyl-D-glucosaminate
489374.00 477520.00 362145.00 498502.00 277620.00 423194.00 201507.00 435720.00 506931.00 422505.00 473409.00 496663.00 412543.00 252788.00 175093.00 292444.00 271315.00 248660.00 486099.00 320521.00 279050.00 534066.00 566139.00 534704.00 356391.69 382536.72 326985.53 409717.69 343417.41 299154.56 374691.53 480758.12 699610.81 714005.44 510201.78 670174.94 252838.00 386321.81 370263.38 376556.53 262930.81 322350.28 338869.50 1235400.62 460560.84 337755.06 622891.75 300377.72 152729.78 562523.50 543459.44 603546.19 488071.28
N-Acetyl-D-glucosamine
1488358.00 1409776.00 1196679.00 1825771.00 793738.00 1211963.00 458703.00 1336818.00 1440637.00 1173485.00 1409832.00 1312267.00 1011779.00 836332.00 390310.00 783694.00 797006.00 745716.00 1324721.00 670336.00 806966.00 1203538.00 1435881.00 1477345.00 937399.06 1065355.38 763935.56 1137061.25 1051388.88 817301.56 663986.12 1093681.75 2122760.50 2072841.25 1582871.38 1849207.38 654680.00 1428446.75 1003051.75 1141415.25 766660.00 1015425.81 935519.38 3502062.50 1521938.50 995832.44 1519217.12 832611.62 502609.00 1506162.25 1340784.75 1471960.12 1289128.00
N-acetyl -D- glucosaminitol
28597.00 15474.00 35167.00 16228.00 51162.00 66349.00 49372.00 45173.00 45459.00 38665.00 56476.00 35867.00 100186.00 78593.00 100732.00 93258.00 151293.00 171945.00 114705.00 119872.00 136465.00 122448.00 165962.00 106418.00 86910.90 67815.31 115265.98 99394.41 132983.72 85762.98 128102.38 97780.76 104456.80 66289.66 95123.39 101713.01 44370.00 31823.41 36778.58 18003.56 40423.77 50228.66 51785.02 54414.99 25008.49 71571.98 49154.92 62000.79 90214.58 136045.03 158385.27 138656.72 84313.04
N-Acetyl-D-mannosaminolactone
810827.00 684840.00 599774.00 742035.00 336219.00 626154.00 228157.00 597807.00 568423.00 543903.00 823474.00 654511.00 500289.00 310087.00 220394.00 395609.00 448493.00 324153.00 528997.00 263260.00 414829.00 616184.00 905007.00 855282.00 475815.81 439603.19 327914.97 546756.06 581928.69 363423.50 512377.78 552030.12 1276329.50 887586.94 912772.12 1075146.12 361758.00 713720.19 459950.75 416693.91 330312.41 480721.28 511650.81 1056506.50 577844.44 495533.72 741170.44 416275.62 537426.75 988678.62 1102950.00 1055623.88 737480.56
N-Acetylglutamine
33453.00 - 16034.00 - 32555.00 115581.00 33937.00 57240.00 91041.00 34856.00 119728.00 75228.00 163644.00 121743.00 165713.00 213734.00 177008.00 157974.00 167708.00 244914.00 142447.00 181716.00 212094.00 240750.00 144216.23 92570.59 183524.38 192321.81 184547.19 139938.75 186866.77 164736.69 239469.48 150726.61 182850.09 143228.25 - 57629.89 39826.12 17530.95 30764.03 83856.83 60120.14 113651.90 29126.70 74384.47 103024.14 47986.62 524055.28 358922.44 361894.19 418791.69 182365.50
N-acetyl-(L)-arginine
1891756.00 1310596.00 1718566.00 952520.00 1326036.00 1373971.00 943359.00 1700622.00 1328293.00 1330777.00 1658691.00 1280890.00 652242.00 875808.00 993332.00 962346.00 1574089.00 981277.00 604426.00 1330535.00 1458475.00 921358.00 1256931.00 1539769.00 1222921.25 1116395.38 849632.62 1198872.75 1503849.50 1394886.00 1085565.50 968877.25 1604656.25 1437623.38 1438581.75 1687151.25 1436604.00 1815701.12 1339838.62 846315.56 1413196.25 1656861.12 1436155.62 1524199.62 855598.38 1908786.50 1232879.75 1899365.88 1463349.50 1481811.50 1494038.00 1652633.88 1622552.12
N-Acetyl-L-aspartate
42234.00 21604.00 33569.00 - 87347.00 119171.00 135711.00 59887.00 66794.00 64655.00 99628.00 39367.00 480736.00 548829.00 463618.00 414475.00 323741.00 311277.00 882205.00 376220.00 265105.00 200174.00 207583.00 293796.00 244917.08 187351.62 625331.31 338887.81 184024.61 195485.05 369413.12 303143.50 197870.91 92794.19 163451.16 152015.69 31644.00 67485.47 70240.41 85105.74 - 65917.60 131247.42 176371.11 46273.09 79135.33 69516.52 65534.52 417361.44 259392.72 235877.14 280139.16 207871.11
N-Acetyl-L-glutamate
223831.00 441191.00 528257.00 487481.00 395753.00 429644.00 358747.00 455398.00 320893.00 452514.00 342776.00 560762.00 479256.00 460856.00 437266.00 489319.00 263972.00 420599.00 390872.00 376309.00 275787.00 302768.00 327879.00 330912.00 515734.50 497502.78 480342.28 455446.38 270883.47 319280.44 535705.81 403744.78 422582.88 387645.59 253666.95 297288.69 494831.00 307935.62 494135.00 339966.25 434665.28 443674.53 422973.00 853880.31 405409.25 330604.34 333521.62 415364.16 364981.09 344219.56 366887.25 385043.66 387470.44
N-Acetyl-L-glutamate 5-semialdehyde
- - 22088.00 - - 16737.00 49948.00 14814.00 - - 12570.00 - 126464.00 221354.00 121159.00 107938.00 98706.00 158834.00 93868.00 85122.00 262526.00 88829.00 161643.00 114328.00 71582.03 39372.58 69350.56 69942.36 63396.09 35912.38 75923.84 50435.34 36028.51 12058.53 59990.38 65245.47 - - - - - - 17841.99 - - 20591.71 36636.04 19533.25 110181.91 174384.16 172222.66 160904.94 112879.23
N-Acetyl-L-histidine
70042.00 56162.00 78578.00 45982.00 109763.00 105801.00 88878.00 110239.00 91618.00 73844.00 128354.00 71451.00 211675.00 179778.00 213747.00 201890.00 245098.00 163311.00 217805.00 272204.00 154802.00 178039.00 244916.00 188476.00 247507.42 281604.88 282447.59 221878.67 207238.11 185631.91 207963.23 222949.52 174112.30 104746.20 115686.53 145646.33 71973.00 87025.13 71421.99 55361.58 59216.61 67745.88 97662.92 99287.87 43284.24 41152.23 93203.23 47305.84 96667.77 124022.84 137957.45 129398.74 164449.12
N-Acetyl-L-leucine
31421.00 26958.00 20944.00 - 21330.00 39214.00 13393.00 24333.00 33909.00 19599.00 48025.00 13523.00 38638.00 20432.00 18312.00 25672.00 94424.00 54202.00 61663.00 63322.00 59766.00 59602.00 87393.00 67020.00 37031.77 14763.91 31624.96 51900.84 71246.45 50922.47 70541.99 50523.67 103088.11 41074.10 55348.99 63305.85 12696.00 35830.38 16692.71 - 11665.62 24041.70 12957.59 14315.96 - 30880.60 31928.95 19828.24 63012.21 82909.68 100482.07 81107.64 49645.29
N-Acetyl-L-phenylalanine
- 21876.00 19034.00 16356.00 60323.00 132902.00 62462.00 114792.00 69317.00 107947.00 89198.00 64911.00 133560.00 124698.00 127147.00 155040.00 133291.00 139434.00 188276.00 220412.00 139320.00 215845.00 177004.00 200524.00 151007.98 90327.98 142943.80 122769.64 158530.45 157200.42 206833.39 183495.88 157184.80 141383.89 210023.09 157865.86 68302.00 63235.91 71859.41 62843.45 56279.79 52123.43 70890.77 96978.34 31135.66 101054.45 140986.42 122878.78 90946.74 162663.72 205963.31 187590.73 149278.67
N-Acetylmethionine
- 762147.00 51707.00 3419737.00 831330.00 502262.00 4040303.00 531697.00 1084660.00 2043853.00 268308.00 2464453.00 7536352.00 6503986.00 5274878.00 5320649.00 112328.00 2545732.00 8990019.00 1195673.00 444672.00 5484484.00 1307020.00 668564.00 1101675.38 2309959.50 6524438.00 1743713.00 186921.33 1613128.38 2073302.25 4881017.00 425502.97 777122.75 371623.25 565866.69 619970.00 144053.20 1707446.00 5157702.50 703466.50 271011.66 395835.47 2928457.75 6614189.00 452418.53 2783137.00 181715.11 1739412.12 3223106.25 3332898.50 3326977.50 2182207.50
N-Acetylornithine
4108346.00 5173198.00 5510777.00 6582887.00 4962526.00 4281689.00 5107768.00 5628987.00 4516464.00 5137808.00 4835511.00 5654022.00 4251286.00 4590386.00 4070589.00 4407068.00 3986197.00 4043396.00 3604520.00 3938297.00 3950197.00 4248209.00 4382310.00 4296769.00 4539854.50 4706506.50 4622621.50 4687731.00 3737896.75 4038150.00 3723402.00 4362809.50 3833883.75 4793176.50 4934099.50 5219533.50 4983513.00 4961549.50 5430068.00 5910321.50 4817176.00 5186417.50 4945499.50 4200667.50 4731497.00 4465701.50 5476274.00 5959034.00 2019398.00 4672045.50 5177379.50 5339830.50 5226012.50
NAD+
269335.00 245153.00 272397.00 103914.00 728647.00 1041895.00 545082.00 664947.00 691636.00 494411.00 1045504.00 523443.00 2462609.00 1853142.00 2863889.00 2589688.00 4392397.00 3600177.00 2918498.00 3634049.00 3323800.00 3089730.00 3850464.00 3037766.00 2678745.00 1763675.62 2689393.50 2559204.00 3136110.75 2291058.50 3510894.25 2645527.25 2508316.50 1178128.75 2069607.25 2176778.75 376572.00 572184.50 565802.38 266441.97 778306.25 1001749.38 1397452.12 1102402.25 339930.47 1196547.38 907930.62 795191.00 2911500.00 7399174.50 7460723.00 6990132.50 2121001.25
NADP+
- 25778.00 - 32272.00 67932.00 83926.00 70050.00 82206.00 45695.00 64152.00 105028.00 94842.00 119977.00 125435.00 184225.00 204491.00 182586.00 179790.00 193717.00 188739.00 223407.00 241714.00 189494.00 200104.00 329235.12 109455.16 187070.52 155958.97 155101.12 140212.66 180193.02 169157.70 210860.70 104550.99 152800.27 216151.98 25866.00 37617.64 79115.57 42716.02 49385.86 67324.33 95040.57 75706.75 37237.36 114742.16 113565.70 121427.59 213713.98 304767.19 354464.69 311540.69 133137.22
Nalpha-Methylhistidine
55012.00 34759.00 - 62536.00 - 48279.00 87229.00 45248.00 - - 17379.00 - 292579.00 184071.00 240075.00 312821.00 62657.00 138400.00 506598.00 144332.00 54937.00 150957.00 88649.00 67730.00 85024.88 84044.65 258169.58 102663.65 21751.78 61694.89 124800.95 183682.92 - - - - - 41502.45 35287.36 49821.99 - 21824.10 33138.38 140294.81 - - - - - 108797.41 126638.27 91986.44 67440.62
N-Decanoylglycine
16259.00 15291.00 16014.00 - 32749.00 44207.00 17036.00 32483.00 37858.00 16970.00 39464.00 20514.00 56782.00 46495.00 53292.00 64085.00 116256.00 88059.00 65511.00 83687.00 99661.00 111010.00 103566.00 76172.00 62246.38 51181.90 49983.64 61335.21 80360.66 67559.74 84004.16 103365.38 105305.67 46443.94 66695.56 87363.88 10852.00 25393.30 18541.77 15982.94 18007.70 30797.51 19782.44 36070.52 13607.86 38573.15 37597.18 33643.20 138106.58 198122.12 190976.64 194211.45 54386.79
N-Ethylmaleimide
743852.00 554693.00 456180.00 661789.00 311131.00 257573.00 248260.00 330467.00 400395.00 322430.00 437397.00 469492.00 1078654.00 679568.00 677288.00 791922.00 411374.00 282039.00 906252.00 449404.00 357122.00 574952.00 462726.00 644750.00 642092.06 558039.12 1010839.88 866281.00 369962.94 337861.44 453085.03 513110.28 584302.38 402347.84 365518.78 617447.38 242343.00 554324.06 567010.56 567157.19 295537.56 530025.88 550508.12 1059589.75 217411.05 188111.73 417742.78 181271.95 705006.19 1125445.00 1040678.38 1092551.62 678631.31
N-ethylsuccinimide
112571.00 156243.00 148134.00 135606.00 121954.00 174010.00 237237.00 205439.00 145922.00 132206.00 125777.00 107406.00 363998.00 384356.00 371702.00 270109.00 207783.00 278095.00 347483.00 325990.00 217061.00 405771.00 273534.00 274759.00 218211.88 285994.19 235272.75 247474.66 197912.31 265380.44 259057.05 280672.09 155574.83 166794.09 189676.77 171397.59 138241.00 109208.77 187403.52 113862.62 153024.91 143715.12 162733.11 344511.81 212347.72 165800.31 282864.75 114903.07 228149.73 259534.78 240763.59 275144.41 234932.28
N-Formimino-L-glutamate
47102.00 52541.00 42792.00 24039.00 372843.00 541247.00 351004.00 253402.00 627853.00 442422.00 493812.00 341685.00 686917.00 421547.00 412407.00 613911.00 926745.00 1003573.00 736114.00 750139.00 1460848.00 2079241.00 1511156.00 1252005.00 336711.06 292856.12 507857.91 331696.44 499201.56 596250.94 803827.06 603923.94 1165052.00 743283.25 982744.12 894528.00 116365.00 195630.94 156457.83 107569.60 116514.01 116852.90 128589.16 106287.72 262347.62 582079.62 494049.75 382731.50 707578.38 848615.88 895726.31 907567.69 605426.50
N-Formyl-L-glutamate
13808.00 116342.00 77317.00 - 91011.00 61651.00 66828.00 19746.00 109761.00 34768.00 113431.00 - - 69692.00 44443.00 114423.00 16375.00 100040.00 65134.00 - 65177.00 - 18324.00 90693.00 - - - 99538.70 57046.90 90089.30 91245.37 62750.64 18511.02 64679.33 83030.30 - 15038.00 13538.72 88011.78 45851.51 38760.45 94200.53 53913.44 47950.59 - 61955.54 140365.89 53549.98 143763.95 87721.38 97863.66 107661.78 100681.95
N-Hexadecanoylpyrrolidine
62554.00 52699.00 26005.00 23526.00 42892.00 72932.00 61594.00 40196.00 74634.00 54426.00 73271.00 62081.00 92553.00 96894.00 90101.00 112707.00 156959.00 147294.00 137551.00 163776.00 154942.00 149806.00 144308.00 132358.00 105644.66 90909.34 110794.70 96889.12 125907.02 109777.73 181083.42 140356.27 149482.50 80332.27 97365.80 117030.92 36028.00 42510.84 42571.77 23098.46 56962.34 48202.95 70966.01 76747.06 38708.32 72469.27 66994.50 38941.18 104004.19 122253.77 142273.58 125220.27 102447.67
Nicotinamide D-ribonucleotide
38463.00 30427.00 26236.00 - 46129.00 52784.00 39074.00 42353.00 52086.00 36953.00 56060.00 34495.00 87760.00 84380.00 77708.00 95542.00 118783.00 132580.00 85617.00 103872.00 90495.00 126970.00 115580.00 109939.00 89004.74 64239.86 100526.68 72175.77 102406.05 89641.29 105233.56 91200.91 111371.46 73443.44 89017.33 98538.94 29826.00 38042.98 35313.32 22685.87 39100.85 42589.12 52882.58 47108.41 26954.43 56307.65 49253.27 34903.41 114796.19 178121.20 172761.55 157428.20 77001.38
Nicotinate
18849.00 17074.00 27752.00 - 16228.00 35636.00 46802.00 44080.00 22814.00 32124.00 94214.00 57052.00 67229.00 28827.00 48254.00 38930.00 61894.00 31127.00 24787.00 81066.00 48526.00 104960.00 81793.00 96308.00 37536.66 17050.21 36011.20 42892.88 54046.55 39438.46 56115.68 70087.87 79510.16 34716.10 64746.59 96952.02 10984.00 20851.81 40718.18 15427.98 26895.97 30686.05 78412.51 39897.21 - 21550.49 69529.47 45662.23 152648.31 225709.84 212558.94 229040.33 112261.49
N-Lactoyl ethanolamine
952449.00 610590.00 601916.00 371539.00 268101.00 341724.00 109406.00 391887.00 371766.00 150987.00 406461.00 232122.00 261251.00 157724.00 265626.00 485969.00 420556.00 260084.00 225356.00 348243.00 386920.00 197522.00 392499.00 570069.00 574393.56 506337.12 474565.78 807172.31 391001.97 291149.94 355174.75 324315.16 486491.59 325888.50 302440.47 498791.84 233625.00 501026.44 331581.59 147914.64 384516.00 566815.62 616146.69 629279.25 122106.98 138164.66 256520.77 123982.27 279956.28 413779.91 392080.12 394591.00 416847.12
N-Nitrosodiphenylamine
75859.00 57868.00 55594.00 41843.00 92371.00 143020.00 99327.00 96898.00 100005.00 80896.00 111037.00 72966.00 241622.00 145244.00 182308.00 232721.00 227726.00 252664.00 346538.00 290762.00 180456.00 255830.00 240894.00 253659.00 201778.41 114974.12 227838.64 202861.61 186210.73 215617.28 317927.59 268787.09 203085.08 102293.42 172276.27 178285.14 57718.00 109175.65 81942.37 57069.18 60424.71 61915.28 112324.55 133629.36 57920.03 103093.84 93276.92 51175.50 200501.72 507340.91 509894.91 596692.06 165312.58
Norsanguinine
250001.00 190990.00 237646.00 161012.00 553339.00 853173.00 499083.00 421765.00 572661.00 445933.00 660045.00 335925.00 1275778.00 1104466.00 1448968.00 1373540.00 1738484.00 1525534.00 1280359.00 1283105.00 1219679.00 1801319.00 1482933.00 1426526.00 1279890.62 968748.56 1639993.25 1371477.25 1208983.25 1164355.00 1439383.00 1096379.12 1529507.62 722524.62 1001895.12 1257848.62 259014.00 403729.66 387874.91 237140.59 287336.94 423652.53 458707.22 240473.39 239573.83 673626.75 500629.03 360443.00 1767035.25 5140573.00 5182473.50 5030903.50 1124264.88
N-Succinyl-L-glutamate
592297.00 623297.00 459564.00 581680.00 120852.00 155697.00 80924.00 142693.00 154420.00 184224.00 145704.00 124098.00 68361.00 58062.00 56550.00 69322.00 77717.00 73794.00 47875.00 87925.00 81925.00 100605.00 99520.00 81857.00 117347.05 78525.66 57712.86 80937.30 70517.14 69025.78 131548.81 110489.98 120423.59 138801.80 91344.83 106001.62 139702.00 182934.31 183110.45 210813.66 205537.77 229945.17 285149.97 509953.97 83347.85 97095.05 136322.58 94965.20 185958.00 333634.47 337842.88 335650.69 196698.08
N-Undecanoylglycine
230581.00 754085.00 494546.00 185962.00 671513.00 447375.00 362891.00 715587.00 618242.00 498885.00 552547.00 216984.00 284058.00 385377.00 375759.00 554820.00 671284.00 385038.00 440303.00 743174.00 650063.00 118627.00 653835.00 855650.00 78825.99 946519.12 681727.19 713188.94 480260.06 962612.12 887692.94 732739.38 810859.38 800057.62 507855.31 899152.62 265623.00 522073.59 856125.88 528273.06 899025.62 460006.00 253319.06 1119128.00 262618.47 505030.53 865908.94 1080333.00 329180.25 583586.19 626974.44 683903.88 711062.06
N-α-acetyl lysine methyl ester
148831.00 224877.00 153581.00 190668.00 164340.00 171991.00 192294.00 155772.00 131814.00 175040.00 161976.00 150485.00 154421.00 152371.00 135552.00 131712.00 114512.00 160279.00 156496.00 161026.00 64895.00 113850.00 142684.00 109989.00 163636.47 145215.36 165838.94 122272.62 113976.58 137279.56 66796.13 144904.16 156592.88 180856.20 169696.44 188587.30 160883.00 155533.16 162703.89 151591.14 138287.95 192290.03 192936.88 131983.33 147555.47 174695.34 201865.27 200350.64 53787.63 186227.83 218477.69 172250.92 252312.45
O-Acetyl-L-homoserine
252403.00 227996.00 234593.00 172636.00 387907.00 438166.00 374297.00 491134.00 492259.00 405249.00 475645.00 431905.00 578063.00 581709.00 590050.00 607651.00 592579.00 593937.00 534307.00 626317.00 579540.00 626010.00 626970.00 586785.00 585561.12 445320.19 613111.56 511100.03 639636.69 627270.31 683920.88 648542.38 766821.88 646176.12 704365.56 643754.69 281990.00 305106.75 312723.03 259811.78 254310.94 283205.56 357281.75 451056.41 258532.38 480984.28 396169.94 425332.94 493432.12 724564.69 765824.50 750579.06 527086.19
O-Acetyl-L-serine
28597.00 17253.00 35167.00 18955.00 51162.00 66349.00 49372.00 45173.00 45459.00 38665.00 56476.00 35867.00 92689.00 78593.00 100732.00 70100.00 151293.00 171945.00 114705.00 119872.00 139786.00 122448.00 165962.00 106418.00 86910.90 67815.31 115265.98 99394.41 132983.72 108685.18 125625.30 90395.05 104456.80 55121.20 95123.39 101713.01 44370.00 42165.26 36778.58 34027.23 40423.77 50228.66 51785.02 54414.99 25008.49 71571.98 49154.92 42863.63 90214.58 136045.03 158385.27 138656.72 84313.04
Octadecanamide
- 136696.00 28317.00 803980.00 340969.00 228903.00 919573.00 171304.00 303399.00 1032468.00 235898.00 1300664.00 709447.00 2134928.00 788537.00 745786.00 93292.00 640314.00 1329198.00 197358.00 66064.00 599422.00 448474.00 234590.00 483397.19 447445.34 987648.06 218997.92 19544.95 301746.72 331383.31 737169.31 217278.16 311661.25 208662.84 226893.89 147540.00 43532.12 415560.72 1268562.12 229357.91 182818.08 67753.98 443887.38 1388160.38 200692.88 1012734.62 202305.42 61478.71 524031.66 535270.50 630307.19 448311.50
Orotate(Fragment)
22926.00 25387.00 22547.00 - 50343.00 81961.00 27704.00 51315.00 48082.00 29964.00 59599.00 24455.00 145732.00 91414.00 132964.00 96842.00 183117.00 134072.00 154771.00 150930.00 96888.00 153119.00 127032.00 119056.00 107567.77 79970.18 113414.36 60519.98 61043.57 90250.19 130705.03 137450.56 134996.88 54456.08 96248.68 110942.59 18114.00 43906.91 25912.81 10782.14 31938.27 44900.77 54087.18 45933.53 23551.09 54155.75 74857.84 36204.00 243920.94 331004.12 371391.84 372197.28 96222.76
Pantothenate
173611.00 - 89226.00 - 180952.00 - 200428.00 229047.00 199827.00 162515.00 237246.00 219661.00 486536.00 332002.00 468595.00 697112.00 381879.00 362080.00 568663.00 735536.00 - 277114.00 529983.00 466541.00 441351.12 385366.16 718471.25 661279.75 220375.17 319104.72 378283.84 377865.22 323952.84 169527.88 254834.62 296164.72 - 330776.00 222160.91 - - 136776.64 139243.84 223544.75 - - 191484.19 - 505521.91 1322311.88 1413206.25 1324631.75 449689.19
[PC(6:2)] 1-hexyl-sn-glycero-3-phosphocholine
107515.00 109673.00 87637.00 107243.00 249033.00 356215.00 217465.00 292328.00 227786.00 185347.00 320309.00 247946.00 579387.00 488252.00 595687.00 672213.00 570496.00 580758.00 880685.00 766542.00 589027.00 554509.00 640028.00 693454.00 399209.41 436282.72 583718.50 684349.06 417723.19 637309.44 747691.00 704479.69 367667.19 389663.69 503683.62 606272.06 102766.00 108096.76 193229.09 153277.42 235987.52 264733.53 360248.47 565281.69 195879.59 319843.56 234793.86 262306.50 199032.77 444305.50 448042.28 639065.69 648276.88
PE(30:0)
1633186.00 740888.00 928155.00 400837.00 452541.00 778049.00 166531.00 676174.00 649395.00 387940.00 943942.00 486843.00 700759.00 427165.00 546819.00 967732.00 1061889.00 610043.00 720854.00 887450.00 860711.00 698851.00 1107539.00 1581929.00 1075768.88 853966.25 785143.69 1112954.25 980051.12 591195.69 814908.44 750814.25 1342631.38 972876.19 868649.50 1295566.62 353739.00 938023.44 493212.12 257184.70 518667.53 832389.19 916049.12 1238451.25 275340.69 472382.12 646810.88 342417.88 802708.06 1121605.88 1087731.75 1081636.50 944173.88
PE(30:1)
- 42074.00 - 549845.00 38193.00 - 89627.00 - 20303.00 34727.00 17209.00 87438.00 252648.00 281823.00 141115.00 171337.00 - 45888.00 219947.00 - - 59436.00 - 20992.00 26983.92 - 114339.21 48651.25 - - - 75350.05 - 27238.22 - - - - 28040.84 227863.67 52200.67 30685.05 24794.03 531473.25 265433.47 27674.10 117060.73 21348.92 - 57479.94 55518.89 51333.12 107489.12
PE(32:0)
149225.00 110556.00 93730.00 45149.00 199099.00 282172.00 164530.00 178997.00 257149.00 183418.00 234108.00 157164.00 488267.00 400733.00 406827.00 513207.00 780382.00 792810.00 631103.00 667016.00 740144.00 776164.00 724648.00 690232.00 497113.25 326238.03 497353.59 408541.38 688242.81 509230.44 753940.00 625218.75 727667.75 339872.22 462011.31 522595.06 93674.00 189682.52 131793.91 76625.52 139093.42 148216.95 194822.31 208683.17 153314.72 286577.75 250133.95 158248.52 566202.19 916093.69 1055874.75 964045.69 416268.91
PE(32:1)
826154.00 554542.00 548581.00 306487.00 1308299.00 2054395.00 997607.00 1226880.00 1839315.00 1290871.00 1796756.00 1180349.00 3237549.00 2525739.00 2884078.00 3448453.00 4526736.00 4573419.00 3993295.00 4387820.00 3904605.00 4373863.00 4780879.00 4228813.00 2905717.75 1925205.00 3160707.75 2539063.75 4140151.25 3338859.25 4805107.00 4119799.25 4504219.50 2395257.75 3536478.25 3759329.75 612625.00 1208985.88 811582.50 432388.41 937400.69 1240676.00 1690199.00 1676903.50 936331.75 2233487.50 1825089.62 1219765.75 3149487.75 4078870.75 3991992.50 4448996.50 2731336.75
PE(34:1)
108025.00 51471.00 73803.00 37957.00 110623.00 268874.00 189605.00 138597.00 253867.00 98509.00 158646.00 89866.00 649094.00 1159683.00 460067.00 351440.00 825776.00 1702239.00 477310.00 762426.00 1844866.00 421415.00 1464058.00 680435.00 718009.25 335855.41 572512.25 618582.06 1695220.88 797715.81 1100097.88 422831.41 334402.31 169945.67 234921.50 826714.50 64856.00 125903.98 85646.85 73468.13 81596.50 96205.01 146765.62 130035.09 47857.76 140899.83 143262.28 74744.12 1106292.88 718813.19 727251.12 758852.25 1086185.38
PE(34:2)
389416.00 175262.00 261060.00 88666.00 224708.00 301817.00 172165.00 265392.00 254856.00 129248.00 327091.00 168789.00 405647.00 404872.00 498657.00 560503.00 797263.00 342738.00 613362.00 896839.00 574763.00 384144.00 646991.00 757207.00 745686.00 521686.72 694264.12 760396.25 650963.88 445196.06 768464.44 570842.19 501749.22 260068.66 357916.69 493598.69 167246.00 316638.12 200546.75 94489.40 203244.23 283723.31 357437.94 306898.81 101606.47 167468.03 218715.61 170112.19 422787.34 340857.19 378187.81 408318.94 484591.50
PE(36:2)
14255485.00 8212575.00 8933306.00 4521040.00 11051140.00 15845203.00 8654700.00 13273440.00 11794988.00 8245305.00 13498160.00 8373195.00 19097850.00 17725330.00 25504444.00 25967432.00 29975466.00 27390752.00 28353730.00 32017006.00 20464416.00 15920870.00 25966554.00 25933624.00 31077616.00 20554488.00 32761440.00 30147714.00 27956274.00 24337010.00 34968916.00 31302752.00 21218462.00 13338247.00 16255972.00 20237532.00 6890701.00 14345481.00 9065535.00 5643427.50 8356516.50 12428419.00 14936029.00 15994671.00 4533344.00 7424878.50 10696185.00 7897092.50 19782242.00 22392704.00 20971632.00 20790962.00 20094240.00
Pentanoate
181355.00 77278.00 107518.00 64859.00 158346.00 362814.00 189487.00 301265.00 222954.00 132884.00 334685.00 182563.00 765411.00 461070.00 372583.00 621255.00 529834.00 272510.00 753088.00 687061.00 208451.00 239547.00 408036.00 527502.00 542866.00 360280.41 637921.00 776500.19 344124.41 233735.39 429796.72 360044.94 383740.75 205202.14 264243.81 327689.53 138865.00 374553.25 255829.89 259823.11 102173.07 109416.16 154414.81 282206.53 103467.47 113658.95 157967.05 82704.39 1853824.25 1057078.62 1009452.06 1142689.88 487160.66
Pentylbenzene
336436.00 210548.00 - 265636.00 314709.00 665069.00 292177.00 533792.00 486284.00 301958.00 617911.00 286898.00 861105.00 651756.00 744450.00 1019169.00 1258716.00 1070991.00 1270032.00 1318889.00 838728.00 1295176.00 1214684.00 1318544.00 910011.69 517780.81 996604.31 1071443.25 946983.19 868400.31 1101655.88 1064855.00 1111369.25 617547.38 1035452.56 1153549.25 232199.00 425685.91 299099.94 138404.95 215604.72 345664.44 477128.75 515248.81 306269.16 559881.06 531709.19 409627.41 1543249.00 2422369.50 2071506.38 2145504.50 1069222.38
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-...
103620.00 190962.00 137295.00 270422.00 118563.00 215696.00 140428.00 194104.00 199504.00 156855.00 197847.00 177600.00 328532.00 274353.00 270154.00 292927.00 147225.00 272292.00 469786.00 338236.00 221242.00 571931.00 405508.00 416459.00 138699.38 208988.98 302423.59 220892.78 225670.31 253008.70 337621.81 479194.56 209273.64 268337.88 328694.31 294748.12 128518.00 135056.30 199166.02 202871.14 113348.73 135726.45 187197.39 525290.00 152862.27 112066.21 283012.91 115966.34 290047.16 347712.75 373225.59 335879.84 286339.91
Phe-Arg
62892.00 46609.00 31788.00 24828.00 62991.00 92314.00 33892.00 69434.00 66782.00 47946.00 64650.00 51589.00 149929.00 133457.00 123773.00 130257.00 180149.00 178843.00 159342.00 153417.00 167213.00 143834.00 131089.00 119382.00 107374.38 100589.20 106571.46 100301.55 122702.59 125958.87 163218.14 165917.42 124101.74 83736.41 95214.98 122713.16 40782.00 57317.93 48435.41 25900.84 59057.91 82041.17 71110.94 79134.41 33607.07 66370.13 66311.20 29645.61 92331.74 127192.98 129821.04 106366.12 121811.33
Phe-Gly-Pro-Pro
119656.00 69408.00 84224.00 46095.00 111460.00 100869.00 100028.00 99423.00 99356.00 76889.00 108838.00 72725.00 213387.00 176446.00 221376.00 288137.00 205954.00 213516.00 230993.00 287323.00 137595.00 118376.00 223365.00 208446.00 282379.94 207318.45 361189.78 331261.53 169971.11 164654.69 295027.34 243002.59 141684.84 102062.59 84029.82 164156.36 42156.00 83925.55 75458.37 46227.86 60656.16 108482.85 124763.27 137602.55 28816.44 56377.71 98168.54 71376.59 164679.80 359150.09 341989.47 353431.50 185459.73
Phenylpyruvate
15701.00 7734.00 16124.00 - 67105.00 103470.00 75195.00 70217.00 86598.00 64891.00 94762.00 35940.00 553191.00 398913.00 529854.00 609190.00 595319.00 637486.00 715778.00 510998.00 539533.00 575613.00 554516.00 393423.00 280303.41 190663.92 419924.25 305818.66 234460.02 255367.92 465674.16 355457.81 241648.86 112166.66 225528.81 218954.69 27425.00 54820.10 42769.72 32615.03 62651.93 78822.29 127397.70 90200.12 84229.04 76152.97 103857.34 50090.25 862249.81 2527391.00 2448417.25 2527338.25 269388.72
Phe-Pro-Pro
31359.00 53709.00 50038.00 36679.00 43446.00 54778.00 34339.00 54102.00 55611.00 61907.00 65963.00 76241.00 50830.00 36883.00 47804.00 51396.00 45224.00 23975.00 34800.00 61593.00 17370.00 80648.00 63816.00 62573.00 46281.27 40803.81 36832.87 43992.29 38407.06 69382.77 63066.48 56190.74 87183.80 55370.35 58530.13 82480.58 49210.00 57804.73 53272.09 40046.94 38902.17 50420.50 50107.72 67553.48 39885.58 48804.06 62522.20 39532.38 95314.69 214181.89 208822.16 300391.94 86648.77
Phosphoenolpyruvate
104302.00 218804.00 147733.00 121825.00 129623.00 236695.00 156236.00 275797.00 240553.00 194798.00 238249.00 223658.00 288255.00 250128.00 292924.00 290363.00 189278.00 324693.00 411523.00 431733.00 309503.00 829861.00 540814.00 637350.00 172411.91 222494.95 283272.97 299885.22 297854.97 384906.88 528395.94 505128.78 307704.38 332674.41 515582.69 456241.88 112380.00 136950.91 249833.80 141175.25 96493.64 107392.78 120560.09 377938.28 108783.45 157709.41 404805.62 113268.34 405820.47 501059.03 518615.53 518566.81 340179.34
PI(20:1)
30967.00 22802.00 18394.00 15137.00 64704.00 90948.00 58415.00 57159.00 69160.00 52267.00 72302.00 51590.00 90569.00 74505.00 81433.00 77589.00 163514.00 120454.00 103515.00 170930.00 104636.00 137727.00 132851.00 125994.00 87464.91 90446.62 85827.99 69000.59 112582.88 107462.96 148615.95 162678.94 160808.95 76725.61 119841.21 100151.63 36069.00 57261.49 53241.91 22671.29 33118.21 36513.04 40424.62 46510.86 22648.55 67108.70 56535.42 45972.23 129997.55 222944.55 263051.31 254852.19 94816.12
Picolinamide
42989.00 74897.00 75417.00 59966.00 181050.00 186474.00 158759.00 170847.00 165349.00 143477.00 211406.00 223318.00 383016.00 308863.00 501153.00 626232.00 431181.00 547065.00 613637.00 681846.00 548860.00 456077.00 652256.00 558725.00 405595.75 373131.91 492472.41 542654.00 306942.69 507666.84 659982.38 623721.19 229548.59 213990.39 409234.50 433141.81 97562.00 97744.01 136725.55 95660.59 116532.16 183493.42 254118.52 398877.97 74271.57 257091.38 216108.30 189256.48 276212.69 379535.25 418437.97 437146.94 535021.56
PIPES
27980.00 - 24688.00 - 156874.00 277301.00 105964.00 259035.00 171381.00 247949.00 212313.00 186406.00 197884.00 191307.00 292400.00 243848.00 252352.00 213521.00 319046.00 341541.00 295170.00 421030.00 321570.00 378288.00 355406.75 278395.19 326318.91 224737.50 357055.81 351135.00 449786.06 350794.72 358574.34 353485.28 446935.44 270716.97 128040.00 139693.42 148329.66 96764.10 87911.59 102374.08 161585.31 196609.31 155926.52 228539.11 302774.22 336059.59 209218.58 276196.34 290518.34 243727.38 239136.25
[PR] bacteriohopane-32,33,34,35-tetrol
36824.00 19953.00 24787.00 - - 68222.00 - 33317.00 40571.00 23017.00 31582.00 20586.00 55644.00 34247.00 71731.00 46397.00 52849.00 54063.00 61916.00 95680.00 52735.00 84973.00 78324.00 95471.00 72467.84 35269.62 91206.09 81449.08 131902.62 104750.77 185212.16 132556.17 136439.70 105924.04 155286.19 126863.41 - 22246.86 19382.94 - - 15906.51 25575.33 30253.60 28378.26 32375.66 55301.83 30120.48 67155.10 70644.03 74046.59 78603.12 77169.93
[PR] (+)-exo-5-Hydroxycamphor
392027.00 255879.00 273195.00 171589.00 424964.00 555910.00 348854.00 403585.00 530638.00 370011.00 470959.00 320942.00 817049.00 716510.00 757765.00 908295.00 1089067.00 1090499.00 1071870.00 965517.00 934062.00 916770.00 951592.00 941824.00 772516.00 650289.06 843862.81 731775.81 964083.00 809343.62 1018123.69 928161.31 971976.25 631966.44 760018.19 804339.50 265062.00 421683.81 291826.75 211091.62 292773.06 377269.84 442871.56 513646.81 346235.84 554769.31 500843.69 346175.75 588287.12 707462.69 786850.56 776185.56 883104.38
Pro-Arg
495185.00 310649.00 369874.00 163692.00 642318.00 795044.00 559576.00 711997.00 603641.00 499763.00 762305.00 530235.00 1075457.00 851076.00 1254973.00 1574335.00 1950812.00 1728262.00 1497577.00 2385752.00 1545938.00 1215187.00 1942817.00 1816351.00 1763940.12 1212156.88 1829807.75 1796923.38 2056890.50 1915868.12 2575975.25 2373567.25 1391018.88 749584.31 1231782.25 1492757.88 293336.00 548305.38 385505.62 204365.67 317487.97 480602.19 823333.31 717760.75 223364.28 522916.12 627351.69 581544.25 1318521.62 2010322.25 2063595.50 2116988.00 1315742.88
Pro-His
342113.00 250151.00 246831.00 124181.00 472258.00 654998.00 355107.00 441373.00 560471.00 392668.00 594428.00 370806.00 932686.00 830586.00 944063.00 985149.00 1466418.00 1320934.00 1409164.00 1526503.00 1151319.00 1477720.00 1461732.00 1468243.00 838562.31 600299.88 1049094.50 896142.38 1036539.62 1184091.75 1535854.62 1342448.00 1276303.12 784330.56 986168.50 1215427.62 226580.00 415828.34 310070.34 185780.83 246961.75 377770.06 451381.66 502467.25 339298.41 607091.00 598316.00 395225.16 744447.50 1325012.00 1388166.38 1406230.25 887006.75
Prolylhydroxyproline
904381.00 1287536.00 1194427.00 1446334.00 1051609.00 1290025.00 1141552.00 1208891.00 1067376.00 1316403.00 1248009.00 1328503.00 1299951.00 1093063.00 1256212.00 1150183.00 971990.00 1080338.00 1287385.00 1235891.00 946284.00 1468815.00 1237207.00 1370099.00 1293672.62 1109073.00 1419599.00 1180163.75 1038606.69 1149143.75 1121222.00 1239707.00 1158113.62 1211939.50 1198370.25 1363620.38 1193642.00 1120814.00 1404744.38 1272086.75 1078785.50 1238932.25 1308917.50 1966090.75 1036167.75 1152550.25 1438163.00 1133040.88 1854227.38 3278626.00 3172651.50 3042523.25 1512838.25
Protoporphyrin
18334.00 26553.00 14365.00 - 29144.00 45428.00 32670.00 37384.00 40088.00 36272.00 44320.00 44207.00 73016.00 48228.00 80022.00 99317.00 91155.00 85162.00 89990.00 115795.00 69808.00 96446.00 105353.00 121512.00 68574.46 57512.29 120255.91 81041.94 76995.95 76951.41 111896.38 105450.48 82889.99 53128.49 63593.00 90262.01 10760.00 32302.46 27724.31 16872.78 23525.28 40677.66 44139.73 110066.15 - 39189.82 51896.47 27980.48 77778.33 152745.28 149859.89 180767.22 87499.10
Pro-Val-Pro-Ser
156606.00 186012.00 228318.00 245227.00 80812.00 154745.00 69914.00 189970.00 92597.00 78786.00 150504.00 116268.00 432506.00 400901.00 299980.00 347622.00 174730.00 195242.00 479830.00 309896.00 127068.00 261717.00 264981.00 297071.00 185016.55 218808.53 272069.84 242286.53 164423.14 164850.62 196921.72 266173.12 256006.09 164098.58 245718.03 294615.28 60800.00 143126.75 170546.84 162720.73 129972.67 222419.25 249724.84 935237.06 111637.16 82718.50 189411.88 - 316582.44 471187.19 427698.53 371442.69 311144.16
PS(32:0)
- 23436.00 - 30970.00 73310.00 90521.00 101694.00 90212.00 98041.00 82607.00 73392.00 74147.00 261091.00 235361.00 177704.00 167772.00 97545.00 199855.00 275576.00 192870.00 105260.00 340339.00 189750.00 186978.00 146537.42 103926.02 168688.23 147479.98 103805.41 178308.03 210888.62 273511.66 115650.02 84787.30 120806.02 114837.68 25264.00 61664.27 64335.40 40110.02 58763.86 51021.01 73760.98 154680.31 96443.48 61841.87 115461.03 - 302321.94 440598.38 394897.59 466845.94 132201.67
PS(34:0)
- 4529.00 7408.00 - 31463.00 53070.00 59746.00 44671.00 78249.00 48384.00 48522.00 41085.00 18095.00 38409.00 14013.00 20908.00 35912.00 59189.00 38545.00 34928.00 144943.00 68402.00 130046.00 79620.00 20439.83 18948.11 20330.19 23236.72 55484.72 58002.39 81234.18 44905.27 75458.04 71234.79 67231.27 169626.00 10035.00 16590.00 14703.17 16483.07 - - - - 17036.08 55587.89 60816.72 38752.11 118086.46 203532.98 189576.47 180960.88 130427.22
PS(35:0)
- 131260.00 60998.00 1241384.00 106333.00 66206.00 261985.00 105015.00 72885.00 165019.00 46040.00 260993.00 542499.00 739704.00 277299.00 196343.00 46029.00 127869.00 391670.00 87998.00 83333.00 158987.00 90157.00 93410.00 52565.44 266064.53 281599.91 79996.66 48726.40 116420.84 161921.52 188278.67 69816.20 129422.12 47530.14 91332.09 63125.00 35951.24 174691.38 412714.16 111428.46 60753.28 40269.73 555141.06 707417.94 59708.13 111788.74 64331.93 150010.91 173697.83 142068.94 142940.16 162168.03
PS(36:0)
- 17770.00 - - 36674.00 50323.00 - - 30814.00 25361.00 29572.00 24054.00 83950.00 70370.00 91823.00 106825.00 109594.00 111684.00 96316.00 107037.00 86359.00 130664.00 129933.00 102793.00 71347.41 65304.69 96022.54 72464.44 86240.23 98131.64 103231.99 109560.91 103329.44 69310.55 81898.73 80003.59 - 24469.66 28544.15 - 37432.99 23987.28 29066.83 29620.44 - 62860.36 62384.50 26139.48 114719.73 187184.17 189816.72 188997.81 71288.73
Pseudouridine
- 207565.00 - 317219.00 60239.00 35299.00 246392.00 28161.00 75031.00 144933.00 25859.00 244774.00 564954.00 275497.00 518632.00 499514.00 - 192220.00 539272.00 130097.00 30662.00 425814.00 136881.00 69017.00 103707.70 246403.81 557347.56 214100.22 - 130085.48 169718.89 436494.69 - 74020.70 26777.85 33345.21 48360.00 - 112152.44 450106.16 89672.59 35116.68 41155.96 249826.89 - 22980.69 173927.39 - 145035.14 166669.58 256710.16 221597.42 168446.86
psicoselysine
- - - - - 50161.00 - - 42150.00 - 35749.00 - 90031.00 91858.00 99395.00 120239.00 186241.00 138172.00 208369.00 229644.00 159668.00 249537.00 228637.00 192662.00 103361.61 29545.35 94803.62 85786.54 99800.83 120076.07 224300.22 152825.47 208447.12 83286.19 96771.54 173429.66 - 22415.78 - - - - - 28944.81 - 32661.25 40137.98 - 225132.00 100307.14 112611.50 100285.90 92551.02
Pyridoxamine phosphate
1422805.00 766355.00 972552.00 380042.00 549727.00 894262.00 301190.00 713711.00 829506.00 546308.00 1015662.00 594333.00 1393158.00 956137.00 1300177.00 1795105.00 1853087.00 1387880.00 1641447.00 1793290.00 1278338.00 1120480.00 1794799.00 2062341.00 1600543.12 1102492.88 1422760.50 1543894.50 1371097.25 1062982.25 1549456.75 1509879.00 1832898.88 1552683.62 1436537.75 1666932.12 497480.00 1070267.50 539039.62 269789.28 679129.69 1122484.38 1126610.00 1355448.00 428930.47 733092.38 895943.25 564688.44 1321841.25 1506667.12 1620100.38 1581817.50 1199766.12
Pyrophosphate
- 20212.00 41103.00 - 31718.00 38271.00 19834.00 45836.00 32130.00 - 22464.00 36257.00 - - 20987.00 23748.00 44962.00 16476.00 - 55640.00 - 39634.00 - - - 20834.84 - 46123.70 18483.90 21880.33 - 104874.21 45692.73 - 20613.80 17854.89 - 18190.09 10811.27 - 16042.99 43018.76 - 100424.37 - 41477.04 219789.12 66289.97 17155.19 32829.38 48579.67 50838.10 58087.44
quinonoid dihydro-(6H)-biopterin
- - - - - 22488.00 17612.00 - 14769.00 - - - 42628.00 30851.00 22031.00 27718.00 129239.00 228474.00 135118.00 102952.00 453930.00 193459.00 299474.00 216171.00 21443.25 - 27322.27 22386.46 50913.75 60005.98 63448.47 25325.40 56059.82 30724.94 75867.32 117756.70 - - - - - - - - - - - - - 38098.11 49654.50 48476.14 111908.10
(R)-2,3-Dihydroxy-3-methylpentanoate
12257.00 - 10695.00 - 29552.00 34286.00 17357.00 39045.00 47472.00 36562.00 51745.00 39282.00 75398.00 40971.00 72109.00 77847.00 92769.00 85918.00 47662.00 90400.00 78656.00 68193.00 86564.00 77927.00 76652.43 46784.19 71331.98 82461.33 89637.52 74510.91 71575.39 82735.51 100023.27 51599.37 67618.51 63539.01 27409.00 32466.95 36362.43 14286.34 29370.07 34044.59 37180.82 28967.10 16926.30 76490.98 34437.97 35866.32 89657.75 128561.41 120441.61 118718.73 59614.29
Riboflavin cyclic-4^,5^-phosphate
135508.00 89782.00 98982.00 80566.00 45838.00 72852.00 16887.00 61753.00 63966.00 39220.00 88353.00 53612.00 65287.00 45428.00 53579.00 88149.00 120996.00 62014.00 61188.00 90461.00 90372.00 74178.00 93291.00 171903.00 87602.84 93292.53 88188.88 118767.19 86680.19 55222.09 74393.88 69846.02 120409.59 74362.17 75289.88 107286.84 41899.00 94077.50 69773.55 34950.73 70640.38 113505.09 129890.05 141237.30 - 42922.68 59993.07 34991.03 108608.09 184036.28 192490.75 212047.28 93913.94
Ribothymidine
- - - - 68558.00 131716.00 64856.00 72014.00 75625.00 50761.00 60733.00 61704.00 148957.00 159731.00 151002.00 159216.00 250078.00 260700.00 250452.00 288375.00 190573.00 254736.00 257345.00 219255.00 106692.68 82542.77 160314.97 116827.17 173897.22 149643.14 232907.36 200190.41 144362.50 112273.93 152335.62 120829.91 27858.00 53861.02 53126.02 34619.15 35307.45 57848.19 85284.01 112509.02 33212.92 87157.98 77241.94 60907.85 138519.12 185778.17 184840.12 149975.62 130239.23
Rosiglitazone
773699.00 802256.00 948565.00 857683.00 854051.00 839223.00 774559.00 1044211.00 876234.00 807074.00 1110598.00 954503.00 861954.00 870419.00 880103.00 960893.00 789583.00 757386.00 827190.00 948479.00 616723.00 1005631.00 857903.00 1011540.00 904980.12 826018.50 875487.06 1031047.31 804203.62 790472.50 812512.06 1009921.62 861816.31 956016.38 842827.81 985528.94 862560.00 722992.44 1024274.69 864392.31 744807.50 927190.44 802538.25 965789.44 656791.06 798374.44 1139285.75 881871.62 655495.44 1422631.38 1662348.50 1365536.12 1028957.06
(S)-1-Pyrroline-5-carboxylate
247946.00 351446.00 376141.00 243348.00 471641.00 568226.00 505730.00 526738.00 474057.00 473652.00 485800.00 447486.00 359300.00 319099.00 373161.00 373086.00 355008.00 386880.00 270619.00 358012.00 372208.00 334685.00 412812.00 359575.00 475938.25 438621.69 395450.94 449652.50 370880.12 341040.59 395160.44 338158.03 381724.94 431108.41 393894.97 414620.16 407624.00 452390.56 488327.69 463799.00 367398.59 378186.84 362420.66 360356.00 236393.05 532703.75 431629.19 490074.84 431397.84 425371.78 381085.94 377185.34 378448.69
S-Adenosyl-L-homocysteine
3976094.00 3352634.00 3046386.00 2179048.00 5402071.00 9129897.00 4844072.00 6291666.00 7587082.00 5954818.00 8630993.00 5971537.00 12535524.00 9694447.00 11673591.00 13141329.00 18326466.00 16734314.00 20638500.00 20428456.00 15982039.00 24838724.00 24898192.00 26214412.00 10906714.00 7906820.00 12907214.00 11807268.00 14402467.00 14744552.00 21458158.00 18338862.00 20487010.00 11928656.00 16264290.00 20130314.00 3144721.00 5725133.50 4565257.50 2723213.00 2677928.00 4569279.50 5589818.50 8476368.00 3934254.25 8898274.00 9223368.00 5408507.50 17870234.00 37284224.00 38109884.00 38038220.00 15220193.00
S-Adenosyl-L-methionine
346177.00 177974.00 229993.00 87624.00 283467.00 586116.00 261726.00 345935.00 473455.00 267344.00 491030.00 243957.00 1111141.00 915457.00 1017493.00 1140422.00 2578633.00 2195842.00 1523993.00 2218385.00 2277815.00 1511436.00 2299662.00 2175093.00 1433620.38 722642.19 1184290.38 1176204.38 1837018.88 1316533.12 1918230.62 1378896.62 1584643.88 716501.62 1169206.38 1425434.75 153192.00 355851.84 216661.41 132598.17 271239.62 390576.00 553475.94 452945.47 162977.66 490108.12 417464.28 289480.31 1320657.00 1402839.75 1416823.88 1586055.38 1149079.50
(S)-AMPA
- - - - 23326.00 54963.00 23747.00 16402.00 44352.00 - 39219.00 - 103417.00 80838.00 84286.00 136334.00 186152.00 140310.00 114431.00 106117.00 103201.00 94942.00 74084.00 69001.00 131522.33 76072.52 101685.34 108021.59 109037.03 124542.62 127685.23 104255.02 93468.20 43139.04 79231.52 94597.41 - 15675.80 - - 14648.50 16197.74 - - - 22116.75 26654.92 13730.81 114921.67 157525.69 143602.73 150995.67 114850.05
(S)-ATPA
835440.00 4201165.00 1529166.00 1065140.00 3453744.00 1778566.00 2083851.00 3116594.00 2021228.00 3901590.00 2171807.00 976796.00 3824843.00 3738516.00 1580804.00 1789102.00 1928673.00 1747490.00 5364189.00 3743622.00 3837523.00 705812.00 4341430.00 4432917.00 297732.44 5783709.50 5767685.00 2598799.50 1525654.88 7020188.50 6577832.00 3904666.50 4420157.00 5437117.00 1690022.75 5018629.50 1697061.00 1774973.25 4868642.50 9463248.00 4559555.50 1257085.25 727549.88 5789922.00 2708683.00 1476343.62 4126940.00 3519424.00 2864436.00 4319912.50 3972535.00 4084974.75 4251290.50
Secobarbital
135336.00 122366.00 98404.00 53371.00 127663.00 156982.00 97084.00 136385.00 198158.00 110339.00 175869.00 117835.00 286610.00 187102.00 239742.00 299853.00 283877.00 295979.00 255274.00 319842.00 264773.00 223792.00 325191.00 323881.00 271217.53 210568.20 273450.09 291544.50 208158.30 181510.91 284928.31 248933.41 283493.62 216564.03 212916.73 261920.39 105008.00 144004.23 108494.63 79832.29 99142.27 133756.81 172409.48 193381.52 71315.19 104961.47 151748.20 76233.05 219310.19 296408.97 311788.12 307308.28 211785.95
Semilepidinoside A
- 442389.00 47044.00 1454061.00 1195097.00 687856.00 4690637.00 767742.00 1583413.00 2777743.00 431675.00 3099358.00 3218904.00 2314802.00 2264125.00 2381214.00 97903.00 1677159.00 5034037.00 841381.00 459809.00 4935365.00 1333521.00 614048.00 551624.25 1041030.38 2656176.25 719921.62 120535.33 1011921.75 1378263.62 3071436.75 319561.19 647331.81 349297.03 472258.84 499538.00 102049.21 1562007.38 3804594.75 505524.59 231315.23 297545.34 1840228.62 3518646.75 321291.03 2187764.50 197842.09 1085168.12 1935575.00 2077043.38 2189880.50 1405934.12
Shikimate
94058.00 77942.00 103915.00 105798.00 104818.00 132429.00 120802.00 138793.00 127487.00 105635.00 137859.00 93584.00 311016.00 182781.00 218380.00 183799.00 237620.00 180040.00 345799.00 349487.00 221586.00 293655.00 303752.00 345457.00 217848.84 152198.78 264547.69 267209.16 308479.53 276124.28 374284.06 350471.88 239601.80 146771.91 251882.39 245780.22 81470.00 117200.77 103837.89 118555.79 111037.77 121783.67 123111.55 281390.03 86934.98 126716.51 136166.25 104454.48 280184.47 392040.75 385360.94 420586.84 267427.03
sn-glycero-3-Phosphocholine
35613.00 56818.00 29370.00 - 75057.00 83429.00 26411.00 38735.00 71071.00 59328.00 78003.00 30267.00 120968.00 93809.00 117130.00 136095.00 224630.00 151810.00 128447.00 147432.00 108038.00 154459.00 133744.00 124444.00 115099.70 88828.13 107131.47 106901.66 115722.03 133838.19 129758.32 140230.92 153241.41 89038.93 110458.59 122597.09 30859.00 68091.62 48529.36 22387.15 35762.05 56728.43 63338.09 56927.18 21267.06 74180.08 82721.03 49905.79 114153.23 144363.56 145587.33 180299.91 109236.53
sn-glycero-3-Phosphoethanolamine
15177.00 - 7478.00 - 14243.00 44695.00 33543.00 27880.00 26408.00 14725.00 17464.00 - 122698.00 165512.00 85999.00 66903.00 221564.00 315196.00 142832.00 167744.00 367003.00 124806.00 160961.00 114683.00 126063.02 87095.92 110381.88 70187.66 148585.97 122800.00 188081.94 107866.27 80015.62 62955.82 79410.45 116831.55 8968.00 16512.17 - - - 13032.81 15128.96 11121.03 15316.12 59842.46 44731.62 17742.59 185865.83 267170.81 250466.97 246273.77 152767.23
sn-Glycerol 3-phosphate
73646.00 35784.00 65558.00 24543.00 47652.00 92594.00 51039.00 56998.00 67526.00 45095.00 64355.00 29819.00 243552.00 203371.00 230589.00 195194.00 263723.00 320131.00 287063.00 215679.00 267572.00 228611.00 301212.00 205277.00 211760.69 127574.23 181164.64 172496.52 179460.11 121399.67 225038.94 182851.86 109058.27 59240.05 95565.72 138228.75 17034.00 37942.07 20847.18 15437.50 55280.87 63712.15 92746.96 73012.41 42052.26 118088.76 84762.24 37194.32 204324.14 311463.22 311835.00 292713.34 143583.19
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R...
250964.00 223696.00 200885.00 144506.00 367898.00 447188.00 342352.00 391961.00 442998.00 342647.00 438734.00 389795.00 462976.00 477725.00 468467.00 495304.00 501471.00 557535.00 471513.00 567177.00 491251.00 553184.00 589702.00 520337.00 466734.22 398112.44 500697.69 511100.03 580224.75 541589.81 598289.38 546819.62 662847.94 604083.75 600381.75 593903.38 282269.00 276210.09 282124.38 235259.73 272980.00 247227.45 340228.34 398902.78 238582.80 409430.59 355386.12 367239.06 487287.81 705429.19 742831.56 727574.25 470962.78
(S,S)-Np-Histidinylalanine
42268.00 81272.00 74945.00 79097.00 167306.00 197656.00 102549.00 144474.00 195232.00 240854.00 195584.00 218610.00 150886.00 132558.00 108587.00 113507.00 157958.00 149337.00 185961.00 177004.00 135653.00 316144.00 206109.00 196931.00 166841.41 106908.91 157066.17 106737.86 169152.38 218468.31 198607.98 204673.86 368973.09 269842.03 247961.52 345812.91 87652.00 100159.93 125751.10 94444.33 81930.38 108969.30 92221.02 100826.80 101393.36 192869.45 245147.30 156796.33 412132.56 777988.31 784857.50 791892.31 238204.17
Stigmatellin Y
22926.00 25387.00 22547.00 - 50343.00 81961.00 27704.00 51315.00 48082.00 29964.00 59599.00 24455.00 159444.00 98848.00 132964.00 112607.00 183117.00 134072.00 154771.00 150930.00 98626.00 153119.00 127032.00 119056.00 139321.70 79970.18 124229.73 115651.43 119681.82 98682.64 174718.78 137450.56 134996.88 54456.08 96248.68 110942.59 18114.00 43906.91 25912.81 10209.88 31938.27 44900.77 54087.18 45933.53 23551.09 54155.75 74857.84 36204.00 163653.61 309832.91 346996.25 347189.91 108852.71
[ST Oxo(3:0)] 3-Oxochola-1,4,6-trien-24-oic Acid
131169.00 119172.00 86324.00 59300.00 105784.00 165365.00 137471.00 178373.00 147191.00 106907.00 97945.00 93623.00 129560.00 96777.00 104343.00 107283.00 108349.00 108064.00 135444.00 152725.00 120437.00 154566.00 151449.00 105731.00 93411.98 112103.40 106821.55 101526.48 96956.13 106395.01 120364.45 156860.98 164726.92 126596.59 107114.88 134749.47 75200.00 118280.97 91882.48 92381.23 72445.70 65841.57 43019.03 105233.58 97762.34 113440.37 146573.73 96733.21 141742.28 191250.81 137963.84 188211.67 165471.11
Subaphyllin
- - - - 16023.00 - 77896.00 33714.00 33782.00 - 24332.00 - 276237.00 443343.00 545954.00 558459.00 488160.00 773946.00 587997.00 391473.00 250892.00 289948.00 59648.00 115495.00 133923.53 69946.35 566150.75 310218.28 320904.62 485790.72 627843.44 446874.16 111153.85 17083.07 99587.33 109784.38 - - - - 21423.78 67943.77 101685.27 121053.09 13229.51 115232.26 36366.51 - 60651.44 59900.92 54520.32 73797.13 42866.58
Succinyladenosine
121661.00 83486.00 88171.00 46226.00 109146.00 153901.00 77630.00 129764.00 140437.00 88536.00 138124.00 95861.00 172511.00 153122.00 141772.00 178284.00 257403.00 236393.00 237969.00 280603.00 253266.00 259674.00 299352.00 303133.00 156362.56 130959.13 151866.78 175559.88 259163.12 220040.02 266221.78 228086.39 266314.75 192488.08 266244.22 257960.53 63886.00 126703.52 84624.66 69177.47 60702.20 83713.80 80593.41 129063.68 62978.11 111784.95 133571.06 68849.57 161271.92 176852.20 185901.00 172679.66 195056.42
Succinyl proline
10635.00 - 7756.00 - 52399.00 55205.00 39256.00 59431.00 62575.00 58571.00 67673.00 55269.00 83568.00 29071.00 53493.00 69049.00 112734.00 93070.00 81099.00 97214.00 82676.00 153362.00 196507.00 138453.00 79751.48 48096.60 47938.00 56712.54 75586.27 56618.19 80268.17 76608.12 145111.27 80597.23 124476.62 92681.12 26004.00 34781.91 30772.27 13419.24 17718.40 25379.23 26692.01 16847.93 17060.54 59077.90 43844.91 54766.07 165014.05 248885.41 266837.53 248569.47 89215.84
Sulfate
16622.00 4732.00 11990.00 4626.00 15970.00 26623.00 30477.00 23818.00 33891.00 23198.00 38684.00 15234.00 73757.00 85292.00 166232.00 273553.00 278242.00 436162.00 355587.00 331091.00 216410.00 152724.00 195032.00 167211.00 112659.32 71019.93 239563.75 233843.14 183021.08 252502.34 448345.78 268016.50 118770.57 66024.90 129682.83 158266.78 4292.00 6759.28 13204.20 4342.72 11949.93 21663.79 43398.96 98968.97 11761.01 72293.54 36601.88 16178.63 82316.59 130239.15 134664.34 155924.53 101308.99
Tadalafil
105554.00 84038.00 79195.00 27143.00 114146.00 158879.00 104035.00 111096.00 150765.00 110465.00 141377.00 106694.00 214715.00 194779.00 209362.00 250516.00 274052.00 309227.00 330401.00 307970.00 307832.00 302718.00 333871.00 293988.00 182175.45 170567.11 185575.61 183285.06 245941.03 229799.45 312248.28 254089.56 279095.53 172357.25 252112.14 296984.44 69217.00 118226.78 91015.35 78592.27 86961.27 73300.97 101181.44 134413.80 92153.41 165165.94 146557.38 113109.00 184080.20 236357.62 203143.59 220532.38 206334.89
Temurin
29726.00 28864.00 26746.00 51852.00 110878.00 171642.00 98130.00 110533.00 117661.00 130196.00 144788.00 87606.00 252224.00 221471.00 195459.00 290331.00 383637.00 294433.00 391191.00 388589.00 269932.00 425086.00 347652.00 369685.00 200674.44 156831.34 233062.33 240162.14 323204.72 330488.19 510585.97 400658.22 340614.72 232138.44 426991.09 324891.09 62233.00 104986.32 95234.91 64950.46 67053.14 86318.12 99391.73 123687.63 87338.32 167407.67 185984.09 176461.20 275255.22 481474.06 440944.25 485835.03 263457.03
Tetraacetylethylenediamine
116511.00 112274.00 100711.00 44836.00 212100.00 304647.00 150802.00 296887.00 332684.00 190504.00 249015.00 237766.00 372331.00 368885.00 497540.00 476276.00 512204.00 379812.00 523977.00 694016.00 266187.00 341298.00 418309.00 590277.00 529790.31 421102.91 523096.47 605876.94 366284.75 374652.91 520937.66 488475.38 386565.31 306722.56 421136.34 443471.22 145277.00 266803.31 202025.47 141847.73 116500.90 170521.45 189543.61 358071.59 50192.80 162997.97 321148.81 181401.09 480975.38 500232.25 418330.81 502266.34 508567.72
Thiamin diphosphate
47372.00 39994.00 40354.00 46744.00 51247.00 52921.00 58059.00 45961.00 61418.00 53879.00 61205.00 46749.00 73352.00 65635.00 73224.00 82787.00 96905.00 109870.00 88186.00 96850.00 104393.00 108214.00 108723.00 94281.00 63832.87 51775.14 69089.81 76802.95 80870.48 84869.55 107973.11 87035.97 82448.23 70242.75 94340.31 82086.35 37890.00 47275.29 43174.39 42414.84 42022.87 42791.84 47317.73 53923.17 52959.22 59282.05 69091.27 50013.51 63040.43 65460.77 71106.77 78369.36 68360.78
Thr-Arg
4995050.00 3944240.00 4584625.00 2704139.00 4109863.00 5778332.00 3482295.00 5537973.00 4930948.00 3403153.00 5802738.00 4002908.00 6844893.00 5291623.00 9468874.00 11372979.00 9440823.00 8110772.00 8269412.00 11531430.00 6517961.00 3490298.00 7342887.00 10211229.00 9322449.00 7861126.00 13112456.00 10789422.00 8459741.00 7664217.50 10680130.00 11044862.00 8663547.00 5035864.50 5150616.50 7349108.50 3140637.00 5769417.00 3838743.00 2398136.50 3489021.00 5104502.50 6748604.00 5770845.50 572586.94 2972764.00 4570227.00 3121782.25 8132962.50 6106491.50 7040267.00 7423773.50 7535492.50
threo-Syringoylglycerol
12417.00 - 19979.00 - 12085.00 31010.00 20019.00 17561.00 46419.00 24071.00 34458.00 13520.00 70920.00 59466.00 54540.00 80648.00 66689.00 111845.00 113495.00 83176.00 97919.00 102825.00 108554.00 95905.00 48910.68 39805.71 48523.13 55701.09 62276.07 62095.75 103048.51 77531.45 85044.53 45571.45 61243.42 63658.33 - 17738.91 - - - 12658.92 12766.91 15661.41 18484.84 46727.18 47572.34 15613.94 75644.36 122372.70 125295.85 114399.70 54548.09
Thr-Pro-Pro
64801.00 66450.00 109420.00 128181.00 127392.00 232907.00 130854.00 144212.00 149653.00 136440.00 175500.00 105024.00 421031.00 358670.00 616431.00 669300.00 551742.00 393951.00 659139.00 555881.00 389286.00 396094.00 458333.00 458437.00 302097.16 267477.56 603147.31 529592.88 340963.06 293120.50 519505.94 363258.19 272100.16 209751.53 278904.59 338909.16 86219.00 180613.73 144076.64 127710.66 74175.65 148656.92 296694.97 265438.53 84902.14 146256.72 125890.91 118246.97 277074.66 569048.62 645467.19 658490.75 500434.31
Thymine
537469.00 384892.00 927807.00 556101.00 491064.00 651708.00 3400865.00 4514159.00 481698.00 452383.00 9295834.00 7500684.00 857199.00 967497.00 4273198.00 4543120.00 1373292.00 1114476.00 2718886.00 5752100.00 756353.00 738119.00 8874014.00 7655499.00 1537768.38 843508.81 5317495.50 4841878.50 869547.12 740727.88 5874860.50 4909902.00 1041614.75 597377.62 6687869.00 6722007.50 329649.00 578314.44 3798384.75 2801310.25 447533.19 666690.88 3589568.75 3774133.50 225946.80 523619.25 7542352.50 9322168.00 5081276.00 6293847.00 6214590.50 6093922.50 3636320.50
trans-Hexadec-2-enoyl-CoA
453991.00 474240.00 369425.00 519075.00 243038.00 406033.00 212299.00 416579.00 568624.00 465870.00 484382.00 477541.00 490244.00 352796.00 201012.00 351031.00 278769.00 275434.00 710197.00 296154.00 279647.00 589474.00 588550.00 620626.00 324530.81 407325.31 323554.75 384244.53 370822.62 310816.16 398880.00 489083.00 777637.56 658269.56 598283.62 704164.56 241030.00 393506.59 402312.12 359244.72 249657.23 347327.69 343374.72 662991.62 659546.06 299010.69 563570.19 214209.94 100969.55 553301.00 430653.12 476397.78 406281.75
Tributyl phosphate
63227.00 90295.00 62616.00 163492.00 104951.00 128586.00 134883.00 118327.00 106327.00 164502.00 108625.00 112695.00 261050.00 270966.00 235745.00 133784.00 118056.00 126542.00 275113.00 147664.00 93174.00 247276.00 139133.00 148300.00 173682.11 120360.44 217014.44 122887.97 134016.81 126535.30 154873.00 276450.69 148518.27 159427.69 151657.61 142912.95 108363.00 97090.98 119380.38 171108.31 85278.00 92661.01 101999.90 236229.47 95444.62 128729.27 159815.44 138500.62 118390.96 249440.39 231002.41 253460.86 148500.98
tropine
282447.00 252032.00 447181.00 430226.00 779026.00 1049659.00 1336307.00 1280925.00 510158.00 649036.00 1161651.00 849129.00 2684559.00 2730188.00 3784448.00 4709992.00 2343724.00 2873970.00 5072729.00 3320822.00 2014691.00 2815218.00 3031571.00 2801796.00 1549040.12 2065058.25 3803702.50 3596829.25 1737758.00 2422252.25 3134868.50 3565464.75 1146261.25 955964.00 1784595.00 1642190.12 441510.00 687461.31 885654.12 771397.44 645675.88 1124454.12 1592253.38 2454821.50 583032.62 1319087.50 1199017.12 1038748.31 717707.56 1907388.00 2068262.38 2655296.25 2520454.00
Trp-Ala
508192.00 328357.00 333320.00 292315.00 187173.00 356370.00 145325.00 331728.00 403675.00 346360.00 426502.00 385759.00 305640.00 273360.00 141875.00 263293.00 310460.00 203382.00 441731.00 288768.00 236637.00 397976.00 533051.00 569898.00 313130.38 297774.34 253321.45 363774.47 358954.22 260358.95 360956.19 369348.81 646046.19 555761.00 515516.28 660017.75 204011.00 407911.94 289148.25 228050.30 207970.06 313088.84 274660.38 547932.12 222575.52 262852.72 442962.59 252809.00 334098.44 663457.81 672568.00 715653.12 487750.06
Tryptophyl-Proline
3666502.00 3004502.00 2672367.00 2203991.00 5009308.00 7029972.00 3682106.00 4037754.00 6139733.00 4345419.00 7314571.00 4880075.00 8757894.00 7345264.00 7230138.00 7726056.00 11911876.00 9912977.00 10665161.00 11680317.00 10303966.00 15521287.00 14396334.00 13316199.00 7832732.50 6133612.50 7943302.00 6928595.00 10045555.00 8971274.00 10037508.00 9981381.00 15892972.00 8224168.50 10082722.00 12191824.00 2463361.00 4460615.00 3826807.75 2378681.00 2773026.25 4148367.75 4261139.50 5777190.00 3300656.75 5643467.50 6788183.00 4304324.00 14857095.00 23921758.00 23197532.00 23404436.00 9723915.00
Tyrosyl-Valine
86885.00 449387.00 212141.00 1175499.00 98334.00 100978.00 246109.00 91081.00 73861.00 114169.00 85505.00 144838.00 106234.00 228273.00 43393.00 61714.00 37505.00 65829.00 - 50666.00 - - 60456.00 39423.00 68555.92 - 85016.68 - 14073.35 35800.29 - - 36185.06 60893.15 46866.09 65000.34 103494.00 71242.32 175669.67 337117.75 156781.73 136020.41 158403.38 491802.97 130853.66 60689.54 135061.02 76359.48 150392.42 194679.66 189782.56 200831.86 129278.82
UDP
42789.00 525459.00 231782.00 240687.00 150754.00 126883.00 188165.00 178220.00 212830.00 201365.00 120363.00 163937.00 - - - - - - - 22518.00 - - - - - 47548.87 - 50581.09 - - - - - - 49186.62 - 233106.00 91627.04 241470.86 180645.86 364587.75 241940.34 254390.38 251956.92 - 56171.95 51553.07 39171.09 125710.41 - - - 104037.45
UDP-2,3-diacetamido-2,3-dideoxy-α-D-glucuronate
18214.00 - - - 29376.00 40670.00 39743.00 29361.00 48051.00 17229.00 31065.00 13217.00 54756.00 66920.00 43731.00 49878.00 107031.00 121362.00 63582.00 62700.00 142552.00 67850.00 139510.00 87583.00 66714.25 44362.39 73337.70 69467.37 101396.61 86476.38 104093.11 58297.51 51235.10 32578.58 45514.81 100836.40 9466.00 29330.04 10645.42 - 10409.14 16515.07 24727.67 18792.61 - 34498.73 32705.20 15058.29 72445.90 74607.15 84003.70 74267.30 78251.53
UDP-N-acetyl-D-galactosamine
336335.00 239981.00 191504.00 111339.00 316812.00 487645.00 249823.00 258404.00 286935.00 223653.00 432611.00 159762.00 582184.00 441973.00 656284.00 662404.00 704435.00 576663.00 590974.00 772516.00 354883.00 440494.00 666450.00 615496.00 870988.31 599881.12 957216.38 799379.12 734015.06 611820.00 797517.88 802873.56 586567.81 459220.28 381059.81 550287.88 199603.00 394578.84 302856.66 170182.59 249777.36 326720.66 453988.03 426476.69 125066.37 195681.31 319136.41 205297.84 666971.75 1064406.38 1118893.25 1164151.38 550982.44
UDP-N-acetylmuramate
- - - - 112788.00 129983.00 89563.00 82090.00 123919.00 77988.00 116469.00 72749.00 181842.00 145395.00 120082.00 149236.00 253933.00 236611.00 172655.00 212584.00 196752.00 206433.00 218479.00 236253.00 116168.95 90424.55 131934.50 113148.93 236478.48 200815.33 272764.12 192227.33 229341.45 88755.27 158935.28 188737.11 28579.00 66142.92 44336.73 - 53689.68 38416.46 65553.04 45764.70 42493.66 101877.95 106191.42 104281.70 194858.20 307012.00 303234.31 328484.75 153771.97
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- dia...
10030.00 - 8495.00 - 43815.00 31014.00 29104.00 39396.00 30885.00 26739.00 46073.00 15568.00 118878.00 89834.00 117489.00 105682.00 262283.00 210409.00 40204.00 168080.00 224065.00 97043.00 122042.00 149743.00 208240.14 122938.74 107342.05 189177.62 251156.84 166109.73 146988.84 96850.42 100894.09 46305.61 99341.75 81269.45 35157.00 36328.91 32643.29 9593.93 54418.46 71600.52 95048.21 76918.73 11751.65 68960.19 43086.87 14802.40 72220.34 69474.00 53247.86 49161.20 55327.77
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D...
4998133.00 2951835.00 3223384.00 1933036.00 20038494.00 31649538.00 29022072.00 21802684.00 35664472.00 34826188.00 39278604.00 19284668.00 95428256.00 68392696.00 81004960.00 109116264.00 108438936.00 150676320.00 118657568.00 109060880.00 123970288.00 137698176.00 108335272.00 109274656.00 58662980.00 42700684.00 88625496.00 70124480.00 106148536.00 113209480.00 186229632.00 136437904.00 154953040.00 100332632.00 172343552.00 151258864.00 12708331.00 19604644.00 20971514.00 13174118.00 23252538.00 26140212.00 37694504.00 26502506.00 48069072.00 87096568.00 86375408.00 63055688.00 92030136.00 78698344.00 78719920.00 79574000.00 82807400.00
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminohep...
22109.00 - 31994.00 - 50424.00 93437.00 38482.00 68691.00 39869.00 13517.00 85917.00 16516.00 73409.00 76190.00 86185.00 101561.00 295787.00 252117.00 146127.00 238240.00 270110.00 123571.00 171617.00 176121.00 109300.64 67031.28 75522.11 102258.82 212326.44 120096.32 131994.20 128611.48 153924.78 85281.57 154757.11 126334.86 13593.00 67253.59 32442.09 - 31537.38 59984.65 69923.32 39793.32 18865.30 143728.98 20469.45 67061.73 113597.64 118912.12 115623.71 124146.95 97226.85
UMP
187760.00 443856.00 423064.00 - 425385.00 433047.00 499974.00 456819.00 331647.00 40795.00 301929.00 242744.00 192705.00 341999.00 408449.00 470416.00 260505.00 301877.00 387573.00 525848.00 137821.00 243710.00 92309.00 177695.00 57851.20 419919.84 251614.14 651992.19 480034.03 208247.88 134034.91 437041.62 315143.91 114727.05 254676.25 236278.59 - 268467.12 266568.34 53860.34 201072.69 433630.31 43561.01 178110.64 92737.15 559024.50 799697.19 348881.84 326287.88 135891.91 186269.69 307649.66 273265.81
Uracil
- - - - - 30037.00 - - - - 19435.00 - 69470.00 29997.00 66473.00 29926.00 72609.00 59940.00 40272.00 58700.00 27036.00 66608.00 60532.00 46781.00 44935.62 16910.03 68065.59 29895.88 61540.54 43646.82 65863.98 97436.51 60116.10 14146.04 19821.12 22605.36 - - - - - 8158.64 17404.52 - - - 15875.10 - 89630.16 155169.64 158786.39 137936.08 52096.97
Urate
479178.00 356057.00 480964.00 172956.00 639184.00 796534.00 774574.00 669204.00 811610.00 606380.00 690635.00 526375.00 1464382.00 1673986.00 1598622.00 1585581.00 1957034.00 2109305.00 1184768.00 1498845.00 2410986.00 1220667.00 1798772.00 1298445.00 1560223.00 1207368.50 1469698.25 1420551.00 1511995.88 1315897.12 1356999.62 940763.06 1002891.19 894388.62 845603.94 1160487.62 546739.00 712324.50 593690.56 501262.38 656373.56 678093.81 714795.38 664518.31 327703.66 998748.62 748962.12 811562.44 1463292.75 1699618.38 1680652.75 1618655.50 1501559.12
Uridine
37455.00 3368761.00 242196.00 14331108.00 3336667.00 1724347.00 13017888.00 1863951.00 4195219.00 8062532.00 1082301.00 10637594.00 17639294.00 16093412.00 10404923.00 11313976.00 261790.00 5792559.00 19879630.00 2869005.00 1185923.00 14644674.00 3628999.00 1945141.00 2970700.00 6875946.00 16229223.00 4288353.50 610009.06 5536686.00 6711421.00 15217602.00 1708256.38 3248446.75 1486338.88 2430581.75 2093845.00 361789.94 5419160.50 17082110.00 2004602.88 776083.75 1021420.62 7835324.50 18788152.00 1781813.50 8798486.00 663571.44 4844060.00 8839771.00 9062082.00 9759386.00 6022311.50
Urocanate
554958.00 271181.00 597427.00 223829.00 799925.00 1556369.00 1264822.00 888924.00 1179234.00 687812.00 1040641.00 589085.00 5215262.00 4405509.00 4936041.00 3584698.00 8391630.00 7878545.00 6040970.00 6708206.00 7948296.00 3826251.00 6551311.00 4481081.00 5095824.50 2805391.75 4644888.00 3771443.75 5818124.00 3923217.50 5429292.00 3117296.50 2158867.25 1371800.38 1658141.12 2786738.50 773265.00 908739.25 876921.56 638691.81 995141.38 1120227.12 1839824.25 1305894.62 623975.25 1328720.62 1392793.50 810644.19 4845803.00 1778718.75 1895271.00 1815979.75 3492942.25
UTP
61053.00 - 22900.00 82085.00 23894.00 49952.00 102173.00 22749.00 - 27335.00 15216.00 - 128004.00 - 44153.00 - 17448.00 29204.00 - - 62312.00 81905.00 61675.00 184214.00 51873.22 - - 104186.86 - 68221.16 40816.13 112043.22 62996.18 26795.63 169099.41 97850.15 17308.00 41310.21 25725.94 53622.14 112020.64 65629.12 63866.89 - 62919.50 40437.09 80618.30 23577.85 - 74602.98 78671.78 73931.49 44231.11
Val-Arg
135916.00 160703.00 105906.00 210947.00 50375.00 40161.00 - 88687.00 79129.00 33932.00 - 42210.00 - 29008.00 - - - - - - - 30308.00 - - - - - 33517.86 40502.03 96586.05 - 37447.49 73569.72 71612.02 - 29680.57 - 29937.04 40045.95 49955.96 52481.00 49135.55 - 69466.69 45285.04 50390.43 35456.36 - - 31234.66 - - -
Val-Pro
24557.00 14597.00 30682.00 14323.00 96489.00 83467.00 106402.00 78754.00 87030.00 58718.00 89144.00 56033.00 163401.00 116536.00 296425.00 343503.00 333676.00 397433.00 330342.00 312413.00 228035.00 226562.00 161269.00 226668.00 202867.14 136026.89 394781.72 264269.28 243324.83 308083.28 402721.25 329436.12 222324.70 102114.09 213271.08 195119.55 39791.00 51064.67 51547.13 27789.00 46141.48 86444.66 163180.78 85017.51 40089.25 124478.64 67067.78 48511.84 98546.45 99936.34 121991.84 134457.98 107470.74
Val-Pro-Arg
468380.00 540739.00 445910.00 452800.00 787531.00 920262.00 498469.00 882597.00 638402.00 650149.00 828399.00 607113.00 561877.00 537486.00 490160.00 593665.00 614033.00 547976.00 598760.00 808823.00 676374.00 897508.00 764097.00 1122655.00 607931.69 439381.19 466972.66 496643.41 769587.62 736267.62 674451.69 731035.19 833058.44 741935.38 829281.69 937543.19 561968.00 569121.94 625239.25 541105.62 366535.59 397408.47 484688.00 885506.75 333026.69 775404.94 796931.50 683242.44 718227.94 1038696.19 1109337.75 1180495.75 782279.25
Val-Pro-Pro
26318.00 32158.00 26159.00 17227.00 64744.00 79626.00 65765.00 38834.00 74351.00 73248.00 103275.00 68280.00 159886.00 119150.00 154432.00 158981.00 259998.00 231022.00 235920.00 240175.00 277367.00 371048.00 288355.00 248822.00 128389.31 87164.73 134759.67 96144.70 149062.19 154530.03 230969.39 205029.70 210672.48 118624.91 177096.17 181884.23 52328.00 32518.64 45328.62 30018.28 57975.46 47275.91 58829.62 60458.03 72069.18 96971.74 101283.33 63282.55 215413.75 320432.47 308687.75 319794.12 152322.92
Val-Tyr
107492.00 303230.00 146799.00 443023.00 149344.00 169885.00 281688.00 178438.00 196886.00 180573.00 130145.00 208864.00 667101.00 533986.00 607000.00 431150.00 116086.00 290919.00 696143.00 312890.00 123348.00 309765.00 240260.00 221323.00 281444.97 394446.91 654597.62 451915.97 168552.59 285991.44 354357.16 538602.94 144046.27 193918.61 138987.14 175927.14 148895.00 115307.82 251903.06 381323.75 205828.78 187814.05 225977.80 720774.38 280755.56 79845.43 253979.50 76994.20 253883.45 396704.09 355073.88 341491.62 242136.23
Val-Val-Pro
30922.00 17041.00 20167.00 - 72295.00 93065.00 57989.00 72961.00 62913.00 54343.00 76648.00 52685.00 105891.00 103863.00 90870.00 124886.00 173087.00 172286.00 132316.00 213951.00 150943.00 150597.00 195320.00 178102.00 118192.09 87464.13 113380.44 113795.73 263586.56 186758.25 238743.78 213818.41 192983.69 86814.91 157019.97 176686.61 21809.00 40308.89 29854.94 - 47868.19 47619.86 80556.70 69590.49 28633.85 70862.73 77279.02 63249.06 147754.42 348769.59 319872.75 358840.88 118621.26
Valyl-Arginine
56435.00 344652.00 116068.00 1603242.00 1398075.00 1084510.00 2623921.00 442247.00 912430.00 3401372.00 1145394.00 4581084.00 1574405.00 5369544.00 2093905.00 1696387.00 583326.00 1833202.00 3005793.00 689382.00 206389.00 1664798.00 1811654.00 1106573.00 2096789.38 1325736.50 2762108.25 602825.00 136941.39 940056.38 991341.88 1914076.75 982029.12 1331369.12 1021364.38 1074772.75 582274.00 213924.12 1122957.88 2969939.00 859760.56 793551.75 399999.44 1515163.25 4763350.50 844387.00 3410981.75 1126362.62 - 2026037.75 2028509.62 2093105.12 1484970.38
Valyl-Histidine
108352.00 62565.00 103456.00 40442.00 83135.00 143364.00 114570.00 93061.00 133217.00 71849.00 99907.00 62108.00 301465.00 341421.00 315354.00 297979.00 518773.00 589837.00 412626.00 409168.00 523276.00 384139.00 421804.00 342075.00 349527.22 240905.66 327857.66 290438.34 424930.41 377979.75 411992.50 332063.09 286024.59 159653.86 216589.05 274524.88 52679.00 71324.36 73138.24 47974.69 101542.15 120907.54 149117.72 131878.00 46260.84 164313.42 100668.91 86070.17 292294.00 400313.31 395076.22 395407.78 272903.34
Valyl-Leucine
45986.00 - 31323.00 - 73658.00 65374.00 55779.00 70197.00 153473.00 185317.00 122247.00 107178.00 71102.00 - 46205.00 99488.00 163413.00 108158.00 171108.00 163562.00 222013.00 241756.00 216449.00 222756.00 118341.38 114362.87 - 95758.72 197287.88 219665.11 226463.95 222927.67 286569.25 332542.94 259704.02 307863.22 55710.00 49627.99 28137.21 - 35416.08 28258.65 46569.40 - 91588.43 253653.80 238831.98 247544.50 197143.91 150675.97 157844.31 153844.66 150517.62
Valyl-Methionine
203191.00 150813.00 174328.00 107114.00 161059.00 244520.00 147903.00 193899.00 248579.00 140387.00 235524.00 184010.00 262402.00 229460.00 275710.00 288038.00 387660.00 362626.00 380449.00 355041.00 479610.00 537977.00 489463.00 448031.00 310411.28 227317.72 303484.19 322325.69 238729.12 278861.84 427077.72 312191.66 496517.06 277202.88 437396.78 488973.31 161867.00 197503.69 119842.80 95007.57 143748.55 157027.58 211507.52 186024.97 122532.36 312381.16 185659.05 227563.56 285954.62 350144.94 313636.62 326193.66 251967.52
Valyl-Phenylalanine
160192.00 87577.00 85790.00 34743.00 49949.00 76482.00 19120.00 69067.00 66203.00 37546.00 97789.00 41284.00 121045.00 77455.00 93077.00 110997.00 282554.00 185120.00 129608.00 215954.00 265415.00 160845.00 235421.00 302885.00 167179.77 102305.41 90392.88 186779.72 191983.25 100243.89 145197.84 103139.07 195254.78 96660.62 132179.53 187006.36 40176.00 90978.19 45250.23 18723.27 88118.99 116758.12 128720.95 144049.89 40528.31 63067.53 63118.23 57210.27 175114.53 219421.50 210622.53 213141.38 183540.69
Valyl-Valine
131195.00 114177.00 78902.00 377733.00 105401.00 166935.00 201678.00 85340.00 78917.00 180306.00 63071.00 137266.00 310959.00 178398.00 190922.00 97324.00 84526.00 117006.00 183922.00 67134.00 160394.00 273701.00 188782.00 489697.00 137723.53 62961.86 81832.32 196402.69 79308.37 199660.73 132496.59 262410.75 158708.81 82458.20 426802.94 174996.27 38372.00 93401.32 111008.41 216951.31 225102.62 159464.19 116728.70 258311.67 217457.11 90254.55 206911.66 90597.33 270373.81 275683.84 256857.77 265474.25 258318.14
Vinylacetylglycine
- - - - - 26473.00 - - - - 25099.00 18081.00 170553.00 138538.00 163515.00 168546.00 194638.00 77369.00 57876.00 148747.00 57059.00 105682.00 56758.00 52570.00 87844.97 53306.40 99477.95 68322.88 37329.65 43956.31 50015.25 60006.38 37552.26 - 41428.41 35592.46 - 34179.02 42685.80 22724.82 - 22116.41 28176.54 25543.55 - - - - 122350.91 224728.00 204154.64 225265.47 95416.17
Xanthine
146804.00 126701.00 136868.00 162737.00 80107.00 119891.00 97920.00 163724.00 120967.00 101776.00 142467.00 111687.00 148579.00 132405.00 108916.00 147075.00 134676.00 90122.00 171193.00 117620.00 96259.00 140783.00 137666.00 157590.00 105346.66 86119.31 161624.55 166447.16 176643.44 106794.77 109426.41 120703.12 156541.61 137209.66 114153.59 228777.64 99408.00 154075.73 151963.92 139722.27 94926.06 162537.50 112913.06 259139.77 145731.23 106830.84 127575.19 103833.05 103460.57 160301.52 164906.30 151874.61 147108.47
Xanthosine 5^-phosphate
53352.00 158446.00 97137.00 - 128826.00 119645.00 145581.00 151994.00 125141.00 154653.00 116800.00 67402.00 205040.00 111270.00 124257.00 127223.00 111836.00 133604.00 224130.00 165431.00 184245.00 43330.00 147950.00 184930.00 24419.37 225095.22 157672.39 151618.48 100765.52 213720.80 226281.34 190863.47 197075.41 163959.64 86150.47 219337.09 61503.00 127273.91 136437.97 255884.42 172862.19 96110.37 60906.31 244255.17 87113.16 84636.23 189075.25 151858.38 66041.34 192550.92 124945.75 153952.47 176496.66
ZAPA
43138.00 42804.00 48846.00 223259.00 35232.00 40227.00 47753.00 41762.00 46202.00 48546.00 40123.00 44458.00 41655.00 41543.00 32636.00 49054.00 42094.00 52234.00 44069.00 40313.00 34254.00 38787.00 46721.00 46679.00 41588.36 44956.77 42699.77 52469.97 39435.57 39288.27 35303.28 46441.64 48111.95 37937.43 43749.54 42743.89 59941.00 42643.32 37720.61 40807.12 39158.01 38656.38 55913.57 44419.07 149275.23 40395.64 42862.88 54575.58 47271.73 38263.82 53900.52 39708.47 36507.76
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-p...
45047.00 23083.00 24475.00 - 92290.00 106106.00 71270.00 62602.00 70861.00 64258.00 84294.00 42573.00 134303.00 123804.00 169436.00 222979.00 247028.00 197799.00 172482.00 282178.00 168333.00 121345.00 169738.00 176822.00 222508.73 131421.34 214251.33 198780.22 180009.70 174381.69 275155.28 182239.11 118305.16 44602.88 73166.68 114237.23 30606.00 71798.17 53984.56 18220.20 40472.12 53655.42 85599.41 65390.49 - 51494.62 75567.80 64385.43 187969.00 309284.78 297202.94 344540.78 133847.25
ε-aminocaproamide
67468.00 37096.00 35755.00 18699.00 68095.00 118832.00 64283.00 73365.00 91108.00 53809.00 85616.00 50156.00 212669.00 170537.00 164085.00 158970.00 441535.00 498336.00 279938.00 320728.00 556621.00 416553.00 500599.00 388611.00 196915.42 113211.49 186922.22 155395.41 282170.00 196029.69 310519.69 234997.48 308600.75 142178.33 225317.61 243490.83 33911.00 82818.03 48681.21 24575.17 53628.35 68408.95 67351.61 74395.63 47254.41 110057.23 98988.27 72833.31 236290.59 451995.81 423443.81 497697.94 181210.22

Factors:

F1Sample source:Combination_1h | raw file name:COM_1h_1
F2Sample source:Combination_1h | raw file name:COM_1h_2
F3Sample source:Combination_1h | raw file name:COM_1h_3
F4Sample source:Combination_1h | raw file name:COM_1h_4
F5Sample source:Combination_3h | raw file name:COM_3h_1
F6Sample source:Combination_3h | raw file name:COM_3h_2
F7Sample source:Combination_3h | raw file name:COM_3h_3
F8Sample source:Combination_3h | raw file name:COM_3h_4
F9Sample source:Combination_6h | raw file name:COM_6h_1
F10Sample source:Combination_6h | raw file name:COM_6h_2
F11Sample source:Combination_6h | raw file name:COM_6h_3
F12Sample source:Combination_6h | raw file name:COM_6h_4
F13Sample source:Control_1h | raw file name:Control_1h_1
F14Sample source:Control_1h | raw file name:Control_1h_2
F15Sample source:Control_1h | raw file name:Control_1h_3
F16Sample source:Control_1h | raw file name:Control_1h_4
F17Sample source:Control_3h | raw file name:Control_3h_1
F18Sample source:Control_3h | raw file name:Control_3h_2
F19Sample source:Control_3h | raw file name:Control_3h_3
F20Sample source:Control_3h | raw file name:Control_3h_4
F21Sample source:Control_6h | raw file name:Control_6h_1
F22Sample source:Control_6h | raw file name:Control_6h_2
F23Sample source:Control_6h | raw file name:Control_6h_3
F24Sample source:Control_6h | raw file name:Control_6h_4
F25Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_1
F26Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_2
F27Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_3
F28Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_4
F29Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_1
F30Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_2
F31Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_3
F32Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_4
F33Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_1
F34Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_2
F35Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_3
F36Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_4
F37Sample source:Polymyxin B_1h | raw file name:PMB_1h_1
F38Sample source:Polymyxin B_1h | raw file name:PMB_1h_2
F39Sample source:Polymyxin B_1h | raw file name:PMB_1h_3
F40Sample source:Polymyxin B_1h | raw file name:PMB_1h_4
F41Sample source:Polymyxin B_3h | raw file name:PMB_3h_1
F42Sample source:Polymyxin B_3h | raw file name:PMB_3h_2
F43Sample source:Polymyxin B_3h | raw file name:PMB_3h_3
F44Sample source:Polymyxin B_3h | raw file name:PMB_3h_4
F45Sample source:Polymyxin B_6h | raw file name:PMB_6h_1
F46Sample source:Polymyxin B_6h | raw file name:PMB_6h_2
F47Sample source:Polymyxin B_6h | raw file name:PMB_6h_3
F48Sample source:Polymyxin B_6h | raw file name:PMB_6h_4
F49Sample source:Pooled QC | raw file name:QC_1
F50Sample source:Pooled QC | raw file name:QC_2
F51Sample source:Pooled QC | raw file name:QC_3
F52Sample source:Pooled QC | raw file name:QC_4
F53Sample source:Pooled QC | raw file name:QC_5
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