Data for ST003521   

(Analysis AN005783): Average values per metabolite and experimental factor (Units:peak height)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53
10,11-dihydro-20-trihydroxy-leukotriene B4
112705.00 41670.00 140624.00 30189.00 122257.00 244372.00 257550.00 137116.00 171185.00 87081.00 128257.00 53679.00 450724.00 517882.00 458251.00 392618.00 598019.00 784161.00 496263.00 477479.00 707346.00 315442.00 528317.00 352407.00 384001.38 254880.20 394951.47 273991.12 249724.44 241919.56 403679.28 243731.80 214258.25 133085.59 153277.75 192535.47 68240.00 111529.87 97027.60 48384.92 59781.71 75194.19 89694.17 45362.77 46262.02 104000.41 93270.36 42738.29 313153.72 366918.81 398851.59 378691.53 339129.88
11-O-Demethylpradinone I
- 30163.00 - 28858.00 117692.00 161110.00 158577.00 110690.00 104456.00 49161.00 69561.00 69205.00 246016.00 249251.00 250517.00 240935.00 204328.00 200287.00 240726.00 206610.00 78824.00 156137.00 108964.00 94999.00 211683.05 144494.95 231930.92 160775.72 115854.39 162003.98 157270.53 137377.22 93863.32 82115.82 71608.02 77857.98 122488.00 131299.89 136695.34 92483.45 92894.87 116342.42 120126.85 135715.84 45015.98 108262.66 69494.35 47370.76 155691.84 197538.88 176769.64 170230.41 134535.45
15S-hydroxy,14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic...
401933.00 2328845.00 594299.00 10833052.00 1326089.00 1271740.00 4011541.00 1149625.00 1103384.00 1319079.00 654657.00 - 8373960.00 5001836.00 7488823.00 7804275.00 477282.00 1345866.00 7741963.00 1631088.00 859674.00 3009630.00 879885.00 1118928.00 697923.75 3641458.25 5803245.00 2355000.50 716471.62 1528248.62 3047645.50 2691210.75 911130.19 1169867.75 642899.31 866990.62 621100.00 382519.34 1180709.75 4160810.00 2771753.75 852250.00 467381.44 9841664.00 8549647.00 731249.50 2006472.38 555641.56 5304773.50 2900899.75 2948263.25 2864895.00 3366085.50
1,6-anhydro-N-acetylmuramate
52771.00 41728.00 55038.00 33174.00 188197.00 178213.00 167472.00 196917.00 161756.00 115959.00 170039.00 107561.00 337271.00 268601.00 337906.00 368395.00 359674.00 368492.00 443121.00 363616.00 398665.00 372317.00 386343.00 319199.00 278194.84 192482.81 349259.28 265658.34 356812.75 352199.31 452243.81 372178.47 324009.12 180941.98 291591.94 308519.44 85140.00 117113.10 122485.45 94835.01 119120.55 153247.53 183674.17 172089.33 75825.73 139298.75 116767.08 85613.32 242422.50 296516.31 328852.75 295219.31 224981.17
1,8-Diazacyclotetradecane-2,9-dione
168290.00 77811.00 153023.00 68313.00 91637.00 250036.00 226850.00 154545.00 212099.00 91123.00 94387.00 95573.00 304440.00 324559.00 174505.00 155147.00 373518.00 478117.00 157468.00 265389.00 372750.00 145952.00 292242.00 259253.00 313507.19 208832.09 220924.06 269732.66 315695.84 301920.31 335130.47 122406.78 138273.88 161561.28 114198.03 293192.97 134157.00 184464.66 110155.43 196179.80 128696.45 108496.97 116122.33 110984.22 71283.09 177037.56 181074.27 111970.07 263126.72 312441.66 321706.22 328621.31 339959.06
19-oic-deoxycorticosterone
30022.00 18723.00 23241.00 18289.00 56619.00 55052.00 41696.00 30755.00 60158.00 47077.00 54919.00 35197.00 93871.00 84464.00 85114.00 96229.00 99714.00 119746.00 118851.00 94317.00 123808.00 99898.00 72804.00 85368.00 48827.24 70134.70 78317.68 76229.43 69510.42 78265.36 113630.51 106145.98 70174.66 42648.39 54435.82 56242.80 21880.00 25401.86 41238.48 20947.04 21527.73 44822.79 48946.64 36762.77 18862.63 57474.56 44279.46 25819.42 127439.22 178012.42 199848.08 204446.02 62146.75
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-...
28293.00 22831.00 17030.00 16973.00 22805.00 35795.00 16088.00 21972.00 21344.00 23562.00 41114.00 22203.00 97492.00 39236.00 89645.00 86523.00 128072.00 73613.00 104387.00 83313.00 102159.00 143237.00 151509.00 126026.00 48586.02 51072.25 78212.27 50413.54 49715.69 35963.95 80426.82 55793.54 78704.28 38250.48 49627.78 69321.52 22211.00 23425.87 23055.89 16347.50 20913.59 25148.19 30569.08 16822.91 13649.28 25057.32 30057.65 27135.04 224818.39 367094.97 337774.44 381223.94 52285.34
1-O-Methyl-myo-inositol
93434.00 135638.00 69386.00 142742.00 95417.00 114251.00 74094.00 70057.00 42859.00 107049.00 62859.00 129825.00 104960.00 106977.00 78125.00 67529.00 54716.00 54793.00 109724.00 73568.00 37165.00 144057.00 71251.00 51547.00 77069.45 138997.14 - 83850.81 87849.79 96968.20 141371.59 78179.80 98471.68 102413.97 66055.53 74466.34 68138.00 59522.86 48212.63 72567.08 55295.34 63730.03 51855.83 - 171132.28 79404.65 58362.09 75353.00 178206.06 97738.31 91506.22 97870.78 104290.43
(1-Ribosylimidazole)-4-acetate
305989.00 185920.00 166175.00 154452.00 280531.00 270037.00 277804.00 256385.00 330647.00 277522.00 349046.00 239311.00 575526.00 472821.00 462528.00 642142.00 632362.00 665692.00 821272.00 605465.00 418724.00 499597.00 685971.00 670331.00 659194.38 483065.81 866743.56 602644.31 591491.19 628077.38 852598.56 861446.62 478542.72 368661.97 439516.56 565581.94 121727.00 265809.44 214618.75 192528.86 155341.03 257463.47 308999.62 294639.31 123924.30 226216.34 308164.50 236369.69 272256.56 507576.97 525132.38 501304.12 466103.56
(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
194203.00 136942.00 151692.00 178166.00 135646.00 177434.00 123085.00 175399.00 103285.00 173415.00 207919.00 178056.00 115095.00 135143.00 165152.00 110922.00 152667.00 149243.00 166814.00 190511.00 159483.00 122006.00 159321.00 187195.00 188228.56 156755.12 128812.23 164151.50 223389.14 137525.97 118041.56 140994.94 256590.70 151317.30 173753.11 178186.83 123067.00 211953.20 135538.19 130553.46 121132.41 175134.64 164060.66 149576.34 123205.43 220874.55 149019.34 185115.08 337862.00 213992.17 202350.09 174079.42 145680.05
(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
347787.00 248339.00 201939.00 137627.00 534931.00 443082.00 439720.00 280726.00 507962.00 353056.00 348709.00 286215.00 1121271.00 1252928.00 1030327.00 1174225.00 19419284.00 19924868.00 11963741.00 9485721.00 31034926.00 31848750.00 25458808.00 18703434.00 1154382.62 772465.62 1299721.62 959384.81 1283353.88 1237357.75 1577696.88 1286309.75 1407155.50 824542.31 1037015.12 1042651.69 284945.00 485787.56 368092.78 294955.97 364577.28 410981.38 458718.28 503300.69 403035.06 1237117.62 595857.81 473771.91 1144734.88 1490525.62 1449209.62 1387634.62 906879.69
20-Trihydroxy-leukotriene-B4
167442.00 128531.00 146696.00 91688.00 123744.00 120926.00 90229.00 113036.00 152240.00 98570.00 134533.00 110268.00 83589.00 77824.00 98795.00 95257.00 161409.00 149732.00 99220.00 134626.00 148233.00 96952.00 142687.00 125186.00 120472.27 104203.45 96472.39 101738.72 154222.00 110008.34 111255.17 114097.60 143418.19 154047.27 163141.62 142868.89 155054.00 144959.83 126275.60 84706.16 144718.11 142574.14 142873.00 90095.89 72739.38 147948.72 119407.44 129145.54 48347.45 145984.81 147025.89 140884.58 124061.85
2,4-diacetamido-2,4,6-trideoxy-β-L-altropyranose
- - - - 71111.00 170138.00 66654.00 99587.00 99717.00 67961.00 117103.00 86605.00 175525.00 134276.00 163738.00 157940.00 336143.00 299082.00 275330.00 314843.00 284782.00 359846.00 361701.00 287950.00 146095.14 111582.56 145358.19 113445.71 255740.16 260898.48 297063.75 302120.19 263979.91 192937.61 286130.47 239960.81 34363.00 33040.20 46040.00 37886.80 58470.63 60420.60 92086.84 106123.45 47952.20 163226.05 102846.88 96506.42 9874.75 316280.09 341115.22 374207.59 205230.72
2-6-10-Trimethylundecanoicacid
2253006.00 1440818.00 1360021.00 743094.00 1431411.00 1607341.00 1871742.00 1606322.00 2102546.00 1433667.00 1842288.00 1625663.00 2734725.00 2924887.00 3579120.00 3421295.00 4120840.00 4685633.00 4192509.00 3993163.00 4314814.00 4967022.00 4752861.00 3707710.00 2961258.00 2450426.50 3413940.50 2716241.25 3383787.75 3206352.50 4061855.00 3655472.50 5089962.50 3256671.75 3893332.50 4429251.00 713562.00 1447618.88 1073123.50 716555.94 1151786.75 1319569.88 1493680.50 1819687.38 1292659.25 2415603.75 2679507.75 2127816.00 2666257.25 2832257.75 2819857.00 2817175.00 2741292.75
2-(Acetamidomethylene)succinate
2044255.00 1629072.00 1707714.00 1063657.00 1551436.00 1814660.00 1482678.00 1357644.00 2227792.00 1246038.00 1617604.00 1464297.00 994258.00 663532.00 628619.00 1063426.00 1021285.00 1755514.00 1033105.00 976345.00 874119.00 1113252.00 1123428.00 892454.00 700292.19 816150.50 974064.94 802260.12 661468.44 689476.38 916958.12 661642.31 1690014.25 1605995.25 1374455.62 1520647.50 837248.00 1332392.62 916950.50 1003316.31 1061571.50 1204498.75 1268645.75 2166047.25 1052747.88 1808790.25 1819783.00 1348714.00 2048305.12 1904423.75 1845162.25 1820161.75 1345522.62
2-Acetolactate
261537.00 731076.00 258753.00 2154253.00 620331.00 664136.00 855159.00 401203.00 480645.00 530563.00 384410.00 860226.00 1397045.00 1199887.00 2405630.00 1027504.00 253639.00 573333.00 1567563.00 552343.00 464102.00 807349.00 641096.00 408867.00 329464.59 989467.19 1123725.50 625469.00 428140.19 744837.94 1016313.94 1105611.88 471273.34 780432.50 490518.47 646237.81 200290.00 242156.12 436224.91 1141800.75 826348.94 529297.62 115236.50 1496844.50 2142637.25 511099.84 812924.62 477960.72 2743188.75 1395413.12 1364373.38 1494924.62 1759994.88
2-Amino-5-phosphopentanoic acid
305144.00 166213.00 151676.00 69919.00 61322.00 80511.00 25189.00 86656.00 70492.00 44577.00 91670.00 64488.00 70582.00 30587.00 53473.00 79283.00 130354.00 67764.00 39082.00 79469.00 101929.00 42347.00 76394.00 160380.00 127846.75 99163.02 103869.90 169329.55 94737.52 66027.46 69647.25 70392.69 111829.08 62310.31 75213.73 96811.41 66309.00 166067.48 80821.26 45188.62 81801.48 150024.08 176091.05 226429.78 - 24173.37 56666.79 25067.92 263260.69 151645.20 171287.11 171815.09 97523.84
2 -(Butylamido)-4-hydroxybutanoic acid
1935651.00 784044.00 1069974.00 397986.00 1395735.00 2709756.00 1843081.00 2013689.00 3373836.00 1716374.00 2887475.00 1915126.00 4691019.00 3926693.00 2726382.00 4141083.00 6041627.00 8095696.00 4258085.00 5105981.00 10910962.00 7691731.00 12561065.00 10237054.00 3402294.00 2358535.75 3670959.25 3696587.00 6420451.50 4304227.00 6311594.50 4361774.00 7743891.50 5421696.50 7438970.50 10169055.00 822420.00 1939610.12 1214132.38 686930.75 1084956.75 1071192.38 1560070.00 1430836.88 1005516.25 3596619.00 3692267.75 1956264.25 6736477.00 6797839.00 6562424.00 6665520.50 5243621.50
2-C-Methyl-D-erythritol 4-phosphate
25389.00 16199.00 23816.00 5028.00 25354.00 59763.00 24892.00 36491.00 73121.00 25214.00 35561.00 12979.00 40347.00 64132.00 44180.00 43587.00 166787.00 232705.00 109685.00 114289.00 284233.00 170072.00 203645.00 173466.00 90811.62 54005.38 54303.35 71348.48 150123.80 205096.09 169475.12 128314.44 171826.95 115754.20 137680.59 258091.27 11018.00 32974.54 15979.22 10981.07 21079.99 22538.86 27112.18 28141.21 26745.60 106372.13 84365.29 21938.44 124847.36 148554.23 153421.50 146813.42 125499.88
2-Dehydro-3-deoxy-D-glucarate
1480441.00 367731.00 1042082.00 158822.00 414190.00 3520398.00 2901751.00 953470.00 1939996.00 300539.00 428015.00 261020.00 7302454.00 8901505.00 1988552.00 1434707.00 7594521.00 13787781.00 2301659.00 4498743.00 9257210.00 1613409.00 6756525.00 4550200.00 4503609.50 1706484.50 2218282.50 3303403.75 6057688.00 5168573.00 7718812.00 1011789.50 1170703.38 1011728.62 645513.75 4679175.00 715700.00 1441293.75 556137.50 932770.94 553053.31 607808.50 689727.06 508739.62 260280.06 1083067.50 879751.88 295107.38 5906035.00 6679284.50 6836217.00 6775026.50 6514406.50
2-Deoxy-D-ribose 5-phosphate
267896.00 195741.00 193025.00 110263.00 255641.00 416594.00 250585.00 268050.00 359465.00 293990.00 360901.00 248929.00 480525.00 410835.00 425424.00 513858.00 737063.00 766369.00 850508.00 757330.00 759677.00 771128.00 806136.00 751823.00 432553.44 325580.12 422393.97 397694.44 695539.81 601171.69 852018.19 663689.56 683386.25 471490.09 625341.38 616694.94 195498.00 308485.25 184528.56 154140.64 158936.36 206170.09 219926.97 257038.22 276209.16 358819.97 344333.59 221501.69 375088.94 578952.75 599388.50 581978.81 467385.38
2-Dodecylbenzenesulfonic acid
539792.00 236074.00 247262.00 184587.00 266909.00 473596.00 189890.00 323471.00 325237.00 219186.00 381213.00 249631.00 540363.00 490147.00 442135.00 540349.00 725681.00 639209.00 688514.00 654328.00 668942.00 573828.00 835612.00 761819.00 637453.94 483279.69 514026.84 575283.94 588477.25 439723.22 648672.19 525228.12 657440.06 379041.06 465812.06 527179.69 191944.00 433732.41 296253.62 135813.00 216784.03 379928.19 399527.69 542812.62 157392.36 315158.09 276638.69 202162.27 466286.06 980325.88 869446.56 872692.56 522320.56
2-Ethylhexyl phthalate
- - - - - 29443.00 - - - - 27567.00 - 27163.00 - 29926.00 - - - - - - 31719.00 49124.00 87888.00 - - 39795.75 - - 36735.28 - - - - 34064.55 27204.10 - - 31964.06 - - - - - - - 26609.77 - 152430.81 112323.92 116985.77 110521.48 133885.16
2-Hydroxy-2,4-pentadienoate
51109.00 43557.00 48648.00 38156.00 63716.00 69952.00 66599.00 59303.00 60658.00 70538.00 49118.00 55655.00 134004.00 118653.00 150585.00 152151.00 131617.00 141592.00 143518.00 137020.00 86999.00 105620.00 94254.00 97845.00 127186.51 92242.22 138971.55 129506.38 121146.82 105830.20 155529.66 131993.05 80638.77 62855.77 55385.49 82323.76 58665.00 67007.98 53566.54 50138.30 44201.91 60100.71 62489.34 63631.51 40446.79 56902.66 62619.66 52395.08 99826.71 106319.86 89779.11 97784.91 87828.99
2^-Hydroxydaidzein
12217.00 9565.00 - - 37563.00 45986.00 23519.00 22522.00 36628.00 25318.00 28462.00 19185.00 120758.00 84447.00 133105.00 107028.00 127379.00 129021.00 104093.00 80493.00 94879.00 112431.00 92445.00 70379.00 101560.38 75406.02 116233.05 95109.16 87356.97 67782.67 102820.61 94803.53 62900.88 40423.25 53710.68 70105.29 13180.00 27847.67 30096.42 16857.39 39713.44 53385.80 57304.43 59268.77 31486.84 45407.04 32983.16 35519.62 93590.97 198740.59 204490.52 237454.98 71333.88
2-Isopropylmaleate
7760.00 - - - 33954.00 54615.00 16328.00 39093.00 72001.00 42609.00 43304.00 50834.00 25585.00 12867.00 12943.00 17076.00 36591.00 18071.00 - 21414.00 44506.00 43828.00 47899.00 67886.00 20979.58 13256.24 15430.16 21134.62 40805.84 35877.97 43962.27 27491.95 110459.23 100554.94 62594.27 108042.43 28608.00 31134.14 12819.53 11233.73 11131.28 19520.41 14039.43 12355.98 44097.81 114551.10 74602.05 69733.65 85538.79 94854.55 91944.02 108136.50 61368.91
2-Octenedioicacid
93191.00 57292.00 37435.00 - 38926.00 74043.00 - - 59810.00 46459.00 57253.00 33510.00 72263.00 65692.00 77441.00 99947.00 96990.00 93576.00 76564.00 95763.00 61217.00 58895.00 85789.00 95671.00 95971.20 56688.63 100572.99 108565.15 94089.73 97389.96 110958.68 127104.32 88159.27 71806.40 83211.52 91404.70 - 69626.99 48932.82 - 33234.04 54620.33 53964.36 40544.95 - - 29800.19 - 77861.43 228001.73 222390.62 211730.50 69823.95
2-oxobut-3-enanoate
223784.00 196205.00 208535.00 227834.00 407108.00 559624.00 487230.00 492975.00 514016.00 283287.00 511686.00 312601.00 486587.00 424303.00 451364.00 407635.00 752658.00 480311.00 466159.00 542545.00 634003.00 477909.00 502813.00 477360.00 503096.41 458729.06 530336.50 455288.72 535521.62 512455.66 604650.69 550830.94 772853.62 507120.25 647893.88 669248.00 391890.00 400796.09 331299.81 303014.75 294643.28 333156.00 375317.50 515807.38 326915.50 384560.47 389170.25 437532.25 658238.88 479404.88 464301.72 507558.97 556980.44
2-Oxobutanoate
222162.00 268220.00 220688.00 473306.00 289822.00 235009.00 309589.00 227990.00 308407.00 320896.00 224265.00 378486.00 406929.00 406581.00 310969.00 336172.00 215521.00 273515.00 447346.00 231779.00 211748.00 371733.00 267811.00 287835.00 228366.05 288436.84 352129.47 268583.41 211170.98 279069.72 329463.19 361098.62 212388.53 268002.22 260751.28 266302.09 217481.00 201997.20 306860.00 415091.69 245749.83 241049.05 216854.23 338813.50 466761.75 222085.66 309520.22 252335.64 348918.41 308034.97 369575.09 323153.88 330776.19
2-Oxoglutaramate
348406.00 276617.00 355278.00 333430.00 686455.00 875369.00 818705.00 668577.00 681152.00 446226.00 712235.00 528791.00 567946.00 670655.00 685160.00 621082.00 1030965.00 766478.00 680060.00 896801.00 865659.00 645005.00 851693.00 789742.00 870913.44 798021.62 951389.06 744290.94 943396.19 819350.25 984930.00 746099.25 1101153.75 759577.81 949428.94 1024979.12 547436.00 592957.00 623557.81 468354.78 483553.78 541886.31 664121.31 662705.81 509983.56 664755.44 625769.81 663909.31 936217.25 740856.88 780778.62 762092.50 940782.56
2-Oxoglutarate
1935651.00 784044.00 1069974.00 397986.00 1395735.00 2709756.00 1843081.00 2013689.00 2787768.00 1567350.00 2887475.00 1806100.00 4691019.00 3926693.00 2726382.00 4141083.00 6124918.00 9464118.00 4581815.00 5105981.00 11178511.00 8669762.00 14050866.00 10283498.00 3358156.25 1933149.12 3478936.25 3150216.75 6530853.50 3693059.25 6311594.50 4202737.50 7048230.50 5421696.50 6427880.50 10378372.00 822420.00 1939610.12 1214132.38 686930.75 904199.31 930330.00 1358771.00 1430836.88 1005516.25 3596619.00 3692267.75 1956264.25 6514856.50 6797839.00 6562424.00 6665520.50 5243621.50
2-oxopimelate
10843.00 9938.00 10253.00 - 10955.00 22291.00 8511.00 14731.00 22497.00 11886.00 19432.00 10545.00 36192.00 28706.00 29230.00 21446.00 51609.00 47995.00 36336.00 45420.00 35094.00 36839.00 40411.00 31645.00 30179.11 27050.71 30064.72 16275.35 35011.01 33865.36 44016.11 25293.86 40749.96 22121.19 29628.58 28217.45 8733.00 11680.29 9449.84 - 8318.94 16824.38 13302.89 13849.23 9513.50 24309.18 10937.69 12539.16 48431.88 160089.86 141406.84 143935.72 24614.14
(2R,4S)-2,4-Diaminopentanoate
50517.00 33122.00 31837.00 14631.00 65835.00 74313.00 53268.00 53523.00 59928.00 58747.00 84669.00 39316.00 119290.00 91072.00 91382.00 119347.00 205383.00 190799.00 143604.00 169325.00 147881.00 184065.00 186070.00 165025.00 123502.16 85025.75 117034.25 112053.36 171005.05 140409.05 191178.44 163933.89 207462.75 92950.79 114878.84 154565.55 36161.00 84991.68 46431.52 15813.45 44783.79 51887.84 62659.14 50568.52 32936.62 88563.11 58838.08 46318.19 593451.38 1634652.00 1678642.62 1536988.00 116704.47
(2S)-2-Isopropyl-3-oxosuccinate
106916.00 44161.00 32481.00 113127.00 25441.00 79728.00 67926.00 27133.00 76710.00 95947.00 74571.00 53984.00 211648.00 164935.00 147902.00 111026.00 92330.00 72930.00 80115.00 47094.00 37770.00 75692.00 32147.00 97651.00 112531.41 87525.85 74346.52 74638.41 71398.84 27167.39 41713.27 57052.29 78125.12 62129.07 42578.36 70724.87 30514.00 61871.57 56498.71 81170.36 52957.80 61624.64 63956.00 164796.19 136099.20 88720.23 77022.53 71798.78 344707.38 73486.54 96630.45 87457.41 112050.12
(2S,4S)-Monatin
- - - - - 12482.00 - - 11932.00 - 15211.00 - 65288.00 37666.00 59456.00 55300.00 101119.00 92413.00 100289.00 89800.00 89861.00 102120.00 111514.00 80420.00 52861.89 36591.75 57024.73 58009.16 71354.10 66175.19 100450.45 74575.34 73125.62 31208.16 48350.08 62174.83 - - - - - 10269.34 14800.71 18150.88 - 17320.92 25714.96 - 139211.73 394023.53 364192.28 325083.34 46720.89
2S-hydroxy-butanoic acid
377217.00 188588.00 361529.00 235015.00 302110.00 267215.00 395513.00 414612.00 280867.00 244497.00 200613.00 218443.00 114425.00 241554.00 279549.00 358797.00 265431.00 398657.00 315680.00 286585.00 447692.00 125010.00 246560.00 247013.00 233000.58 358668.53 282035.56 335464.22 312496.34 334321.88 343377.78 310539.56 141905.02 246485.36 285654.78 224185.80 329245.00 304373.41 198946.56 256422.55 238661.05 197220.19 277862.12 324281.06 365858.94 324483.94 198743.66 356353.78 - - - - 183855.53
3,4-Dihydroxybenzoate
64346.00 119622.00 30114.00 109317.00 118269.00 80408.00 55631.00 69560.00 47985.00 200128.00 68224.00 66333.00 251998.00 271686.00 213567.00 77488.00 64078.00 84687.00 299343.00 134403.00 151732.00 75461.00 166992.00 158434.00 81332.18 275186.41 306195.41 97488.92 75519.48 255740.30 239504.27 187519.89 170076.53 225672.95 55768.71 180734.05 84448.00 49992.18 173245.80 517516.91 186583.19 36867.21 57280.46 356403.84 220532.17 63182.79 132849.47 68470.14 498906.06 232467.31 224665.45 203419.45 132478.69
3-(4-Hydroxyphenyl)lactate
132334.00 163186.00 114286.00 754025.00 117121.00 156255.00 228857.00 107497.00 138110.00 149623.00 106542.00 150908.00 274413.00 227770.00 444211.00 174535.00 128799.00 212347.00 289648.00 130430.00 137559.00 178025.00 155890.00 103569.00 131135.25 222906.41 241034.81 145892.52 135652.95 157305.50 252764.88 302413.28 139088.62 195112.05 121771.27 168257.45 82100.00 86402.54 118196.54 194121.98 204331.66 163350.28 107017.62 313572.47 344665.97 150954.16 176575.80 139280.14 979049.19 301097.12 136928.88 350300.72 347305.91
3-(4-Hydroxyphenyl)pyruvate
155320.00 111045.00 166826.00 111821.00 123138.00 148412.00 121816.00 142009.00 130410.00 133390.00 166180.00 108015.00 113461.00 118235.00 127704.00 88947.00 158049.00 119276.00 123636.00 166268.00 141237.00 132950.00 172926.00 129234.00 136912.56 134419.30 193140.58 151477.86 159259.81 170906.48 149315.58 104115.29 154504.98 117043.59 138288.66 174783.95 129343.00 154334.09 128866.15 148663.83 138274.48 146682.44 146942.33 135580.91 115486.54 129886.75 143340.78 142038.06 132414.50 142185.83 126907.87 165658.16 179428.58
3,6-Dideoxy-L-galactose
105804.00 165086.00 177852.00 73255.00 47353.00 81341.00 81760.00 45638.00 61008.00 34341.00 41178.00 26259.00 355801.00 349406.00 525095.00 473912.00 580421.00 703243.00 429613.00 401748.00 311309.00 242809.00 285790.00 148799.00 413165.06 319455.12 585786.38 427346.16 421371.12 370301.06 516139.25 412734.31 280731.22 129606.66 158052.92 256230.23 19832.00 25578.03 36155.95 17141.97 167429.08 206355.73 281151.94 227469.19 60385.61 247649.59 144603.98 128112.54 304325.12 369530.94 377667.38 385446.59 306056.88
3-Dehydro-L-threonate
304015.00 6270734.00 961054.00 35300776.00 850091.00 460191.00 1717254.00 602260.00 - 855301.00 384819.00 - 25896008.00 21846572.00 30087310.00 16992148.00 494197.00 2754777.00 12794170.00 4228514.00 686485.00 3708187.00 1580241.00 1100960.00 2498217.50 18586936.00 19607966.00 8627920.00 1121428.75 3519120.75 4407343.50 5954311.50 1663718.88 1685308.12 648609.69 1022679.00 339250.00 227748.98 1007841.25 3062037.25 - 6550930.00 1813651.50 80397400.00 15004315.00 1874505.62 6198062.50 1053125.38 11435662.00 5214558.00 5216730.50 5054605.00 5570156.50
3-Deoxy-D-manno-octulosonate
164656.00 146671.00 147183.00 75329.00 112396.00 169246.00 90733.00 144887.00 131337.00 85574.00 142763.00 87527.00 188796.00 159472.00 191875.00 223186.00 288257.00 273029.00 208175.00 341291.00 248914.00 164866.00 294392.00 329573.00 239351.09 137663.03 155658.09 241151.97 225911.83 241319.84 276474.19 191485.75 268029.09 147732.66 205046.19 244213.12 68346.00 159943.52 132310.98 26571.25 120371.16 159386.22 194002.50 217551.75 84738.03 123978.02 91050.80 63789.80 379970.12 363762.19 352180.78 317242.84 308329.16
3-Ethylmalate
75838.00 48191.00 64340.00 42732.00 55174.00 70733.00 64083.00 55276.00 72421.00 51901.00 55530.00 57762.00 116287.00 99276.00 82732.00 75786.00 112087.00 198378.00 97036.00 113579.00 180182.00 115934.00 179384.00 152469.00 118581.62 68071.79 90978.15 79900.05 132368.61 116293.29 191938.41 89814.56 117352.02 67136.52 81800.09 137103.45 34891.00 53408.73 46209.32 50278.67 58720.95 62638.47 100565.51 242235.11 48489.16 87783.88 102111.02 60277.36 154989.69 183932.36 174929.77 186351.88 128814.46
3-Hydroxy-carbofuran
176794.00 82324.00 157975.00 68313.00 97020.00 269863.00 250833.00 167018.00 228950.00 106260.00 101883.00 95573.00 401428.00 355297.00 205228.00 155324.00 433268.00 538446.00 186839.00 310116.00 395311.00 163304.00 297779.00 286237.00 353730.75 212684.42 235313.81 271017.34 315695.84 330354.28 378538.41 132904.44 172473.02 187373.44 114198.03 299372.09 149409.00 206574.42 113260.44 212139.84 163080.34 108496.97 133902.02 115233.72 82995.18 205831.09 181074.27 111970.07 315049.97 321246.25 329282.41 342812.34 340724.19
3-Methyl-2-oxobutanoic acid
- - - - - - - - - - - - - - - - - - - - - 27672.00 40863.00 87888.00 - - - - - 32634.57 - - - - - - - - 31964.06 - - - - - - - - - 178350.55 99048.48 113480.08 110775.96 164409.20
3-Methylbutanoic acid
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
3-Oxododecanoic acid
183562.00 104870.00 121494.00 86843.00 210571.00 271658.00 186031.00 206460.00 243463.00 179868.00 246088.00 160652.00 285731.00 313511.00 369029.00 436184.00 476463.00 499691.00 527379.00 544092.00 435962.00 392964.00 538510.00 454004.00 322554.25 308013.03 475690.28 413295.75 459694.44 377323.72 612411.50 505347.78 422549.47 229006.58 335153.41 404049.19 112400.00 216742.27 157020.11 108829.38 159351.94 140352.45 231308.25 231306.53 125335.66 177308.38 249543.28 155570.61 497227.16 497591.88 493042.31 534379.81 357616.66
3-Phospho-D-glycerate
536906.00 403506.00 350054.00 246861.00 796010.00 1165776.00 851115.00 880930.00 1036893.00 774407.00 1092652.00 718634.00 1933139.00 1851463.00 1820204.00 1986880.00 2729957.00 2511861.00 3001873.00 2793284.00 2039800.00 3020569.00 2802910.00 2857514.00 1620848.62 1172888.62 1773691.12 1487232.38 2160447.75 1909480.25 2596376.25 2327486.75 3035612.00 1463569.75 2023340.25 2339115.00 381487.00 720399.50 624887.75 396606.94 399402.44 542950.12 639742.19 820175.50 585764.19 879282.88 994597.25 621779.19 9270165.00 15647260.00 15963563.00 16297221.00 1730084.88
3-Propylmalate
125871.00 64792.00 93188.00 43042.00 49192.00 69865.00 42853.00 69663.00 63873.00 54782.00 90999.00 51842.00 48694.00 53458.00 47771.00 49243.00 125605.00 45353.00 50172.00 79541.00 71051.00 62210.00 74692.00 95970.00 83114.41 42289.59 49148.24 58433.20 103953.97 53453.84 67833.60 58546.71 120836.16 68788.52 76791.88 112438.29 69648.00 104686.27 57915.98 46553.77 74577.45 94323.15 85301.89 62161.73 41282.18 79296.25 61423.00 99318.38 125076.57 113184.77 131666.80 171969.30 76629.12
3-(Pyrazol-1-yl)-L-alanine
162262.00 119472.00 107745.00 63740.00 1100961.00 1826742.00 1363201.00 1078637.00 1937458.00 1558213.00 1724031.00 1049576.00 2379772.00 1742314.00 1793680.00 1692147.00 3987690.00 27290382.00 15286539.00 12686360.00 44148960.00 41522884.00 31450420.00 24347416.00 1003118.62 852757.19 1895772.62 769908.69 4392266.50 4232347.50 6277556.00 3499059.25 10810534.00 5934507.50 11081918.00 10802115.00 398371.00 533651.12 512193.12 426753.31 124243.89 138617.72 170487.92 207228.33 390502.91 1588435.12 753628.75 608815.75 7214971.00 8464166.00 8439398.00 8326216.50 7026947.00
3-sulfopropanoate
29981.00 18963.00 34440.00 15709.00 50621.00 70088.00 61622.00 58987.00 59381.00 36368.00 61207.00 35792.00 188899.00 171047.00 229827.00 197612.00 268533.00 216742.00 233879.00 228585.00 245375.00 189620.00 223036.00 177984.00 185039.88 134041.19 225092.38 170451.48 177684.81 142104.64 194855.56 174392.06 118951.74 65845.02 104611.44 102327.16 37540.00 53562.39 52216.41 33830.70 57000.80 67920.34 103883.27 69583.16 35150.29 61911.34 61967.48 51700.02 134011.50 169366.86 169869.22 155212.50 123676.05
4-Amino-2-methyl-5-phosphomethylpyrimidine
299487.00 181847.00 160425.00 139539.00 126194.00 139091.00 107661.00 129991.00 131612.00 95737.00 157782.00 117150.00 206767.00 183416.00 215090.00 263321.00 242201.00 158601.00 213579.00 251743.00 185111.00 120713.00 225633.00 274022.00 284947.31 228284.89 287754.69 294892.81 199470.88 107617.03 244846.89 150159.73 203605.48 145069.75 130908.11 185507.48 85101.00 200145.55 138103.22 90818.59 128809.98 180822.03 174538.75 244187.02 54042.77 95920.27 131507.14 53779.39 247137.02 344197.94 345080.75 342912.72 191513.50
4-Coumarate
99668.00 583179.00 125887.00 1011660.00 312342.00 226894.00 365106.00 204411.00 231385.00 268751.00 165410.00 540267.00 875495.00 585974.00 924760.00 717471.00 107359.00 263227.00 483466.00 356413.00 169623.00 477677.00 275544.00 187784.00 203424.31 774264.56 669804.75 439846.50 177100.97 407598.12 549669.12 636739.25 268587.06 289698.03 210209.58 218281.75 109226.00 91365.03 241543.72 528013.94 797224.62 318035.22 110666.35 1922384.75 495346.38 242327.88 373647.94 179675.12 808721.19 320265.91 378410.84 393158.50 432070.97
4-Dodecylbenzenesulfonic Acid
127362.00 111334.00 141476.00 95335.00 122982.00 161107.00 150019.00 103803.00 119977.00 132121.00 163864.00 98499.00 236826.00 228491.00 166199.00 146097.00 424749.00 380125.00 162344.00 257136.00 345477.00 188615.00 225894.00 164355.00 156240.36 157195.98 174310.64 98390.98 229548.55 211127.45 275699.91 131788.34 154103.31 170778.31 154911.02 134550.09 98486.00 158588.05 149300.92 98846.86 89332.46 146588.88 157812.00 111059.27 91258.88 153773.98 160857.11 96951.75 179334.98 227726.48 248240.38 202432.95 147210.47
4-hydroxy-3-indolylmethyl-glucosinolate
18653.00 339669.00 58366.00 2337628.00 360152.00 257987.00 1277374.00 252894.00 377475.00 861454.00 158979.00 979281.00 1017113.00 1278595.00 633070.00 772833.00 59234.00 442596.00 1417996.00 186838.00 126997.00 683203.00 200706.00 266165.00 165787.47 289270.19 639769.06 191734.19 66036.88 226594.73 253348.27 442463.59 102533.19 181556.67 80421.57 82220.75 259661.00 113015.23 616842.38 1596400.62 502998.06 171722.05 364523.47 1793206.12 2851952.00 230556.27 442341.25 72604.06 918756.31 727843.44 730905.31 752828.00 672979.62
4-Hydroxybenzaldehyde
104257.00 110161.00 115926.00 57721.00 92850.00 85304.00 74352.00 80157.00 102871.00 88966.00 105944.00 83817.00 258182.00 174757.00 215454.00 267597.00 269990.00 273130.00 296691.00 235489.00 262403.00 309648.00 320897.00 242263.00 296098.31 252850.91 312599.00 258654.83 173711.62 194560.20 248526.30 226243.39 243315.27 155457.28 202495.05 186453.97 64150.00 93002.44 101876.05 59708.30 169551.05 206287.48 218779.47 200846.33 80628.09 171853.25 132546.00 108044.98 282711.31 615247.06 627161.75 648800.38 205226.25
4-Hydroxyhexan-3-one
37348.00 114734.00 56859.00 252649.00 105549.00 117860.00 87500.00 74450.00 80953.00 131072.00 65565.00 163870.00 207566.00 193962.00 95580.00 164303.00 57737.00 129885.00 259172.00 84245.00 72794.00 192415.00 91525.00 55391.00 63481.39 134779.55 163137.86 90831.34 66142.89 118184.29 169479.08 113536.03 104208.43 96228.93 66927.03 86587.93 77802.00 56822.36 95320.55 162008.06 57250.43 32627.21 52802.81 222520.48 330185.31 69729.48 92132.89 61792.12 188560.61 101359.08 95052.97 97211.83 45801.07
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
94409.00 60715.00 65195.00 - 116629.00 95076.00 37437.00 84801.00 83806.00 - 114527.00 58701.00 131409.00 134756.00 144248.00 141130.00 113671.00 132531.00 122782.00 122296.00 83270.00 59441.00 130998.00 125525.00 176458.42 142707.53 209008.55 143750.80 110477.08 108791.87 181535.36 166425.02 133568.52 104090.48 84973.38 91869.57 65407.00 132611.72 64810.38 - 36242.10 76311.30 76797.67 126042.67 - 29139.36 53787.32 - 369054.44 8495.30 - - 76498.81
4-Methyl-2-oxopentanoate
100636.00 62974.00 64476.00 27957.00 96557.00 136847.00 76694.00 97997.00 118766.00 82398.00 122888.00 77483.00 298069.00 203725.00 229565.00 239093.00 378399.00 460586.00 310409.00 347309.00 459188.00 270534.00 468114.00 312841.00 237292.64 160831.73 260001.91 245720.28 251630.92 208999.67 322757.28 261026.59 241422.61 147067.72 192548.12 261587.16 56652.00 110536.31 86380.98 46284.88 65814.09 85830.24 103335.05 120897.18 48353.98 97295.77 120557.95 64938.55 483525.16 821156.12 777557.19 785178.25 186811.02
4-[N-γ-L-glutamyl-)-p-(β-aminoethyl)phenoxy-methyl]-2-(ami...
86027.00 46550.00 49658.00 26104.00 27288.00 42641.00 22650.00 34411.00 34622.00 25638.00 49908.00 28468.00 63515.00 40742.00 83405.00 77032.00 83537.00 51089.00 61200.00 85852.00 58796.00 45065.00 76300.00 72140.00 101287.88 67975.89 98050.91 102263.02 51081.06 49050.64 63470.17 52536.21 53078.55 36767.95 34674.38 50088.11 29552.00 54232.08 42094.50 25005.34 39581.83 46592.57 55256.86 60771.33 15877.65 28071.83 35830.36 23226.51 54927.66 47386.10 48355.01 49511.78 48528.02
4-Oxoproline
279564.00 359333.00 242710.00 192712.00 209262.00 262275.00 262261.00 228715.00 352756.00 222368.00 206505.00 205129.00 890358.00 910519.00 1046809.00 797425.00 517442.00 645356.00 479781.00 570039.00 353523.00 449193.00 385461.00 291468.00 795932.69 724400.06 843776.69 631766.75 388252.75 435276.97 459853.03 541167.25 433923.72 300427.94 277206.03 473570.81 302709.00 303872.62 360243.88 286477.44 510588.22 727366.81 584503.31 932200.25 216407.52 415380.78 440542.28 243887.72 770195.00 3597385.75 3445695.50 3425262.75 517823.88
5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
1958656.00 808966.00 1137967.00 580906.00 695804.00 1048295.00 528517.00 797207.00 913435.00 537034.00 754780.00 569060.00 383632.00 261373.00 194289.00 440900.00 593297.00 563808.00 402148.00 389241.00 547018.00 374412.00 445211.00 492921.00 363781.81 356004.41 317281.22 379352.59 426099.53 300551.25 405666.34 208602.64 841304.88 894713.06 703545.81 650894.12 455621.00 904980.38 407082.41 481111.50 554455.00 609835.44 648358.19 1988733.75 625473.25 835247.31 680952.62 918029.81 1315944.75 647745.62 585468.25 711710.50 643857.88
5-Dehydro-4-deoxy-D-glucarate
- - - 18018.00 - 37470.00 - 35034.00 - 30715.00 27568.00 - 62593.00 44326.00 64142.00 78868.00 99769.00 120200.00 119945.00 97336.00 66145.00 88516.00 84297.00 88353.00 80749.86 40743.58 71343.94 90872.11 45597.96 82349.61 115444.38 73800.87 75180.34 37414.14 41293.73 75468.15 - - 20439.36 - - 30829.98 27141.41 33136.40 - - 31742.17 - 86833.42 106835.02 103242.08 91947.50 68189.38
5-exo-Hydroxy-1,2-campholide
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
5-Hydroxypentanoate
2515503.00 2433624.00 2161610.00 1134366.00 1613826.00 2527394.00 1964375.00 2169683.00 2437996.00 1655850.00 1339531.00 1086546.00 2325712.00 2093536.00 2138762.00 1271363.00 2144343.00 2436715.00 3838521.00 2531902.00 2258744.00 2503623.00 1833651.00 1662665.00 1663864.62 1296540.00 1419534.75 1548345.50 1830045.88 2507521.75 2417988.25 2155351.75 1555598.88 2329792.25 2049324.75 1250865.62 1197252.00 1159753.88 1131232.75 1470711.38 1018002.81 1065368.62 1000951.69 2809010.00 1526655.12 1955717.75 2108846.75 848081.19 4504071.50 2045490.75 1689909.62 1738670.38 1933455.50
5-Methoxytryptophan
25753.00 2114431.00 227508.00 14516031.00 1328550.00 692921.00 7158251.00 759349.00 1708525.00 2886569.00 440622.00 3865933.00 22484598.00 21334188.00 10932811.00 11578107.00 312065.00 5388376.00 32585106.00 1956614.00 860043.00 10242235.00 2164826.00 1163809.00 2748564.50 5531784.50 14367509.00 3330477.50 490478.22 3384566.75 3902220.75 10458466.00 909233.88 1527894.62 662969.88 1131602.50 1194366.00 299536.28 2854196.75 13087562.00 1672354.38 604276.69 813181.00 6302829.50 22683870.00 1031930.06 4499422.50 358935.22 6485381.00 4680622.50 4275439.00 4430904.50 3963600.00
5-Methylcytidine
92493.00 70616.00 83095.00 56725.00 73022.00 151609.00 122198.00 141157.00 113273.00 114867.00 137769.00 110799.00 282000.00 252565.00 276573.00 312963.00 355309.00 378123.00 350281.00 317917.00 290764.00 248669.00 255181.00 250635.00 277846.44 208808.69 274617.22 240841.86 245519.27 223618.61 332239.66 298296.56 204676.83 148368.25 171741.48 174398.84 70466.00 93741.34 125112.97 64184.21 81717.25 111839.33 127473.47 130838.38 73842.59 149191.95 152491.81 78615.20 226681.11 194057.78 183697.64 189672.38 197047.34
5-Methyltetrahydropteroyltri-L-glutamate
- 7734.00 16124.00 - 67105.00 103470.00 75195.00 70217.00 92851.00 64891.00 94762.00 40399.00 534168.00 398913.00 529854.00 609190.00 579258.00 637486.00 660429.00 510998.00 540391.00 537684.00 526401.00 393423.00 280303.41 190663.92 419924.25 305818.66 265413.66 253576.14 465674.16 355457.81 229713.39 105256.33 198588.00 218954.69 27425.00 54820.10 42769.72 15696.74 64011.52 71963.98 127397.70 81030.80 67871.36 80191.00 102486.25 48583.74 760198.44 2074452.38 2019804.88 1969393.25 262736.62
5-Oxo-D-proline
92587.00 40004.00 69255.00 16672.00 32333.00 84172.00 37967.00 52891.00 75643.00 35243.00 55590.00 37804.00 79570.00 132478.00 60654.00 59539.00 143344.00 202207.00 113615.00 118723.00 457863.00 113622.00 298590.00 197706.00 73247.46 67619.40 70020.72 81157.74 167409.55 83454.36 138027.44 77978.23 117421.98 82484.34 94921.80 206492.20 29621.00 75138.52 38175.54 25227.42 27631.91 36383.87 37303.77 32576.59 23510.77 51160.23 67640.80 43602.05 267742.88 664922.62 703897.50 696282.25 171605.33
6-Acetamido-3-aminohexanoate
- - - - 74853.00 82711.00 - - - - 97330.00 - 114724.00 84734.00 157125.00 154578.00 192719.00 120951.00 181846.00 195649.00 - 66834.00 135571.00 158867.00 194113.27 90782.97 131462.09 204929.11 200588.38 133688.05 211454.78 139759.50 161502.50 72646.54 107946.66 125124.46 - 87941.05 69310.39 - - 59828.30 - 75711.37 - - 64909.46 - 293505.88 185860.23 163005.84 221455.52 112619.41
6-Hydroxymellein
- - - - - - - - - - - - 21071.00 - 28671.00 29140.00 49636.00 27367.00 21387.00 31466.00 - 44359.00 32663.00 27848.00 25955.46 - 19624.62 - 45045.41 24522.92 40244.40 26342.18 41935.55 - - 33832.33 - - - - - - - 20867.05 - - - - 38641.95 145757.09 128371.44 152174.50 17457.40
6-Phospho-D-gluconate
- 71284.00 23325.00 - 213236.00 134456.00 205531.00 118358.00 156830.00 283032.00 155445.00 293844.00 115699.00 336904.00 259615.00 252171.00 66756.00 234934.00 247546.00 126591.00 79554.00 169726.00 181456.00 129005.00 247403.55 213296.80 337593.94 139268.05 69333.43 211563.48 198135.39 247057.08 116851.55 164959.27 124549.39 135876.84 129636.00 45739.48 178636.11 208137.64 168905.34 133744.64 96950.63 134575.78 254604.39 122000.10 268522.06 100081.70 380279.38 239823.38 185310.36 219112.39 173287.44
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-D-ribitol
- - - - - - 61018.00 72544.00 - - 129254.00 99067.00 - - 46097.00 36809.00 - - 34773.00 71037.00 - - 101411.00 90668.00 - - 63242.62 47453.61 - - 64195.20 64198.03 - - 109525.38 86297.95 - - 56725.27 54506.68 - - 50078.37 55353.45 - - 113658.05 135479.84 198610.61 355732.19 337484.91 344883.06 45611.31
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b^]dipyran-4-one
96732.00 62563.00 86179.00 60827.00 147422.00 215287.00 209939.00 154819.00 153131.00 129431.00 183782.00 75244.00 461510.00 414247.00 779623.00 806172.00 727011.00 592150.00 851662.00 680555.00 521885.00 561403.00 510251.00 410268.00 485996.22 345268.88 865063.19 648510.56 400126.16 359402.22 724048.88 472050.69 290996.53 161024.27 385938.91 284718.22 86180.00 106585.56 123336.20 79523.78 117847.59 152276.67 299928.84 200559.20 50171.91 148664.55 105892.48 102819.54 630761.62 577518.25 598238.81 603192.88 392234.41
9-mercaptodethiobiotin
378073.00 243675.00 271483.00 184107.00 443484.00 636746.00 386906.00 470523.00 504005.00 401011.00 492133.00 338374.00 700922.00 721766.00 812729.00 713514.00 1201410.00 1126259.00 1097664.00 1032070.00 1095209.00 1068723.00 1092648.00 1154174.00 690962.62 523516.78 702344.75 737713.62 968437.38 858815.88 1136560.25 1022000.56 937030.81 675030.94 805029.62 858131.50 301109.00 407056.44 330447.34 216071.02 234101.34 371929.59 380391.22 501885.47 390851.62 570487.94 502321.44 319846.81 1172394.50 1220338.00 1147551.25 1143434.88 711822.25
(Ac)2-L-Lys-D-Ala
472799.00 446777.00 434059.00 616901.00 439024.00 448971.00 426477.00 492049.00 414882.00 454636.00 431201.00 459448.00 448750.00 431698.00 411914.00 454366.00 399294.00 389221.00 528722.00 450146.00 430446.00 445590.00 441682.00 430433.00 431863.00 459568.75 498767.59 406364.34 392833.31 436623.25 462786.25 414959.09 445936.56 493985.66 431454.06 535043.38 441293.00 466226.50 422210.94 457515.00 478101.06 428839.72 519324.25 526865.88 426693.69 389775.78 465972.78 475886.69 401955.50 653172.75 613973.19 575692.56 479144.75
Acetoacetate
78292.00 55083.00 71195.00 25126.00 73021.00 87590.00 36204.00 45880.00 83443.00 61360.00 87828.00 69321.00 129957.00 159988.00 164605.00 191588.00 186762.00 193835.00 224445.00 161518.00 156472.00 171996.00 191801.00 176971.00 140326.22 118115.41 170258.44 159660.91 143437.67 118096.27 241152.92 189838.97 167319.45 118418.19 135160.92 145249.98 34600.00 82178.52 51421.05 25392.38 62873.36 74165.48 92493.27 107424.08 33467.86 83747.77 74118.72 40555.18 147758.84 319314.19 326982.50 306377.91 130651.74
Acetophenazine
- 60047.00 28158.00 - 105902.00 104292.00 229827.00 64192.00 96583.00 142688.00 145766.00 258625.00 164978.00 447317.00 193192.00 225879.00 113735.00 176510.00 255731.00 110661.00 34247.00 91024.00 153967.00 151661.00 122176.84 187267.69 229077.92 85458.80 69909.19 133945.05 177301.14 171908.48 156192.41 126784.37 173057.72 119049.31 35708.00 28276.76 108846.17 244995.81 59954.35 81602.42 21985.22 161884.98 261908.03 115336.70 235085.06 193198.20 201562.34 141261.20 142721.05 133156.23 126145.38
Acetyl-CoA
91966.00 28151.00 72545.00 - 75117.00 90616.00 - 102628.00 64567.00 - 106330.00 24801.00 122372.00 93724.00 106022.00 143106.00 150011.00 87176.00 138875.00 159780.00 137447.00 48206.00 137005.00 215378.00 189504.70 124195.86 138622.31 247750.56 197315.41 99978.86 163726.47 95108.05 112828.28 115108.11 108810.61 108782.53 37105.00 135626.31 59142.87 - - 76835.30 86093.32 126042.67 - 29028.68 62726.24 - 90888.48 9849.76 - 15962.13 127177.87
Acetyl-maltose
- 13331.00 - - - 21621.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 13709.80 - - - - - - - - - - - 5964.83 9185.42 -
Adenylylselenate
133063.00 97439.00 156408.00 83079.00 92788.00 233043.00 289058.00 155765.00 211360.00 108776.00 111802.00 97760.00 213330.00 286853.00 138456.00 94807.00 169628.00 254022.00 135122.00 151210.00 267864.00 124820.00 292841.00 211411.00 201886.66 142307.98 186940.08 188090.95 288524.47 232468.56 219559.19 97148.11 141021.05 148266.30 103874.67 278282.06 122193.00 155234.80 100535.34 151865.77 126978.52 85773.48 98824.27 97637.38 92411.53 174303.19 197902.89 99460.20 186226.20 307752.75 288968.69 290336.31 281503.97
ADP
95371.00 62670.00 60608.00 33192.00 102496.00 169696.00 126681.00 114879.00 95657.00 53810.00 85555.00 60414.00 148844.00 181971.00 107126.00 155986.00 238724.00 184410.00 125222.00 214325.00 130781.00 87555.00 122122.00 119331.00 131174.12 99159.57 125554.50 101840.81 123871.48 110955.20 163362.53 112972.63 119474.40 91075.38 94567.24 125471.51 58004.00 112931.62 69739.12 59099.76 85717.05 95190.12 135096.64 159231.44 59926.07 117490.05 120442.07 83791.68 168370.59 309405.78 322727.78 315637.81 160039.69
Ala-Ala-Asp-Pro
86383.00 45595.00 45162.00 28535.00 56089.00 75467.00 36615.00 59873.00 76563.00 50704.00 87052.00 59893.00 119380.00 87317.00 109227.00 124433.00 165999.00 149137.00 136884.00 160039.00 121176.00 117097.00 140187.00 170193.00 119802.40 83430.88 119154.73 122627.30 113101.73 92260.65 131812.59 114996.39 145060.05 96005.00 101364.12 115504.40 44471.00 82420.24 62335.15 47350.01 47051.79 84126.50 81507.76 88226.62 34531.88 66214.31 64734.64 43410.97 173590.52 302770.94 307778.41 297974.03 86811.63
Ala-Ala-Pro
445550.00 249588.00 306170.00 203000.00 443484.00 636746.00 386906.00 470523.00 599928.00 450146.00 571601.00 393225.00 697440.00 712102.00 768128.00 780551.00 1201410.00 1185508.00 1097664.00 1032070.00 1148345.00 1087632.00 1092648.00 1200935.00 769157.25 560577.44 752526.00 777800.12 1127345.50 1026343.75 1149802.88 1096545.00 1058803.00 725863.38 899010.94 893434.62 301109.00 447724.72 269737.41 251936.14 274235.34 359320.25 467667.84 607453.19 390851.62 620059.06 561797.94 378118.03 1298653.12 1200712.00 1145464.88 1257247.12 847697.50
Ala-Ala-Ser
75830.00 165122.00 53581.00 62446.00 40128.00 89535.00 145775.00 - 145049.00 322469.00 49034.00 92735.00 97764.00 59805.00 187277.00 39500.00 118096.00 197234.00 98623.00 36296.00 - 112253.00 89065.00 90621.00 92734.70 47154.86 46541.81 112009.68 116769.48 45500.75 50818.16 158299.11 63432.04 66372.76 39612.37 154146.06 152205.00 82558.16 48007.28 124134.22 86282.81 104078.77 37164.86 164295.89 110476.45 39302.46 47156.77 94612.00 124075.77 122296.82 134634.23 129863.99 106047.64
Ala-Asn-Ser
619347.00 443633.00 629260.00 274711.00 657886.00 879964.00 608518.00 524504.00 770172.00 508170.00 743625.00 376925.00 3032669.00 2368826.00 3373871.00 3046282.00 4076183.00 4406975.00 3425971.00 3154620.00 3245359.00 3529740.00 3117816.00 2349065.00 2934164.00 2082892.38 3250868.25 2352543.25 2645134.00 2435311.50 3223445.75 2651183.50 2060784.62 1018082.62 1589856.12 1571024.75 293752.00 426614.41 453081.78 256110.02 847847.81 1217156.38 1516371.12 1205463.62 455914.41 1097812.12 819670.62 592260.50 2414360.00 5407012.00 5828006.00 5326369.00 1882857.25
Ala-Asp-Asp-Gln
144019.00 109199.00 95554.00 73411.00 84066.00 88586.00 43070.00 84618.00 124395.00 82280.00 92473.00 62480.00 60480.00 37420.00 32667.00 72302.00 130098.00 100567.00 45486.00 74795.00 103770.00 112417.00 100582.00 86833.00 104703.89 92560.84 62014.84 42102.55 85464.37 88043.53 89754.73 93017.95 170482.55 150704.83 107446.32 140799.38 45353.00 125256.53 58356.59 68694.05 87975.04 77905.87 72629.52 103608.95 92175.93 122334.89 102375.49 107932.45 115629.71 72700.49 78177.44 79402.27 99597.91
Ala-Gly-Pro
- 53827.00 - 979697.00 183141.00 110492.00 612568.00 202843.00 134985.00 284077.00 195767.00 1146748.00 414644.00 1627789.00 1341969.00 423675.00 50755.00 175265.00 807927.00 193890.00 23739.00 199981.00 251885.00 208670.00 90694.05 411718.03 724430.88 244827.92 66254.06 176455.31 363532.28 392878.94 169290.30 169685.48 128807.97 112080.14 24341.00 - 119057.38 1062887.75 264628.47 83528.30 - 990578.75 1797309.50 124873.13 753568.00 152742.80 478516.00 263754.53 254880.81 264709.44 242916.55
Ala-Gly-Pro-Pro
60253.00 40136.00 42985.00 34363.00 71496.00 157326.00 67920.00 79454.00 136349.00 59222.00 119011.00 92036.00 149752.00 180046.00 178703.00 219278.00 245270.00 254527.00 246686.00 303366.00 225548.00 304648.00 313401.00 253989.00 152958.69 124897.80 187230.94 127781.19 217915.61 250827.48 255312.91 299814.44 262503.72 147425.80 225332.14 261221.80 63133.00 72067.56 45637.28 37256.89 57006.62 44045.99 51683.58 117820.12 51545.81 143439.45 118659.72 73449.82 261246.64 507997.72 520747.91 523501.72 198766.50
Ala-Gly-Pro-Ser
57444.00 153355.00 81726.00 299525.00 30584.00 36019.00 - 23962.00 80488.00 44696.00 42281.00 46940.00 1011062.00 871332.00 966950.00 790194.00 82395.00 136237.00 138949.00 163810.00 72629.00 90564.00 89283.00 58793.00 263058.69 838869.25 521772.25 464483.25 96003.63 203626.44 227411.23 263598.69 101992.90 120634.81 72275.16 85392.95 - 21812.90 36755.30 72625.48 1153378.12 598959.38 188204.59 1633160.75 344445.59 129111.73 145276.27 81109.91 500556.97 264096.03 244311.03 203459.94 225039.53
Ala-Leu-Trp-Val
- 169886.00 - 1037663.00 422038.00 219793.00 1610203.00 237546.00 709212.00 1139742.00 219743.00 1508656.00 1156707.00 1238311.00 628869.00 642192.00 62213.00 711209.00 3163894.00 374985.00 219129.00 1651853.00 536916.00 286849.00 266674.41 578879.38 1131932.00 431198.97 125874.27 715051.56 909192.25 1941218.38 270196.00 524447.00 270329.84 347596.44 174726.00 53184.64 401517.56 1339372.12 184658.25 81738.48 82405.12 388896.53 6473917.50 629894.38 2187842.25 285319.97 940871.81 557004.06 651744.25 640645.38 532036.31
Ala-Leu-Val-Ser
72083.00 29505.00 28211.00 15660.00 35755.00 66320.00 53329.00 44984.00 89270.00 30366.00 85549.00 37424.00 92722.00 70098.00 104628.00 88663.00 136736.00 127643.00 125634.00 139507.00 133071.00 140065.00 160489.00 127578.00 70893.44 65885.22 85788.19 85363.16 93721.34 108964.88 133900.98 133801.28 127002.15 90438.00 113029.11 105545.34 20793.00 57687.57 43067.84 17999.51 31245.76 59968.82 27484.35 83434.99 42566.89 102771.13 58448.59 51584.88 102114.20 111920.89 92460.48 95196.18 84432.10
Ala-Lys-Met-Trp
28709.00 24014.00 24682.00 15332.00 60077.00 66442.00 36062.00 44849.00 60811.00 26716.00 60187.00 42173.00 102196.00 73701.00 107864.00 113693.00 131576.00 125673.00 142376.00 134874.00 112340.00 46020.00 95647.00 94916.00 120097.36 96533.66 84517.59 107286.88 113469.80 93987.36 146480.59 121393.62 90968.16 51044.62 79120.23 80914.46 25069.00 48213.14 43136.96 22966.46 25283.32 45106.75 53820.06 64323.09 22564.47 79856.35 61039.28 40263.46 90458.27 92630.17 102070.71 83662.27 86889.46
Alanyl-Proline
74380.00 51758.00 72310.00 46115.00 92776.00 105228.00 91795.00 81233.00 106228.00 92341.00 96752.00 78973.00 320765.00 205912.00 308166.00 296287.00 432400.00 387110.00 332253.00 311434.00 358321.00 356985.00 333723.00 273790.00 272440.94 157559.64 306790.50 234879.27 216382.97 207786.64 345974.44 251573.36 251791.81 121163.45 200171.44 190344.48 69884.00 87033.55 77653.76 70315.90 97647.44 116129.02 137173.05 85641.96 70316.93 110786.55 115297.09 82744.94 421517.31 500972.69 504297.28 529422.00 211896.17
Alanyl-Tryptophan
73535.00 63087.00 29851.00 330736.00 92759.00 94217.00 109743.00 37210.00 44857.00 47521.00 51519.00 87067.00 135936.00 124768.00 219449.00 74493.00 47747.00 63122.00 128959.00 86339.00 67995.00 71403.00 44565.00 49387.00 35408.55 95204.17 108252.80 61061.30 85341.00 102203.89 174658.50 268680.50 64827.89 96615.54 83741.91 97636.35 20553.00 21665.38 40924.14 105258.09 64253.93 63285.30 26576.52 145570.44 390402.47 117977.98 160790.53 58748.00 324035.25 121280.14 128418.51 137368.58 154002.00
Ala-Pro
200445.00 165986.00 240957.00 96683.00 333259.00 470623.00 326681.00 317285.00 403538.00 287384.00 440040.00 232591.00 2808542.00 2073375.00 2519631.00 2592687.00 2539293.00 2858617.00 2398334.00 1959777.00 1532282.00 1722425.00 1714849.00 1309812.00 1825160.25 1390525.12 2237879.75 1730828.50 1618509.62 1289933.00 1858931.75 1590429.75 967069.44 564116.75 871183.25 979175.31 215533.00 299182.50 319818.78 189625.12 509386.50 845117.81 960086.12 988673.19 297318.91 650439.38 605841.50 373982.91 1523644.50 2891623.75 2897295.00 3002663.25 1148736.88
Ala-Ser
79117.00 95116.00 90408.00 - 101721.00 101228.00 38727.00 79401.00 129137.00 131446.00 108497.00 124351.00 42449.00 - - 72048.00 88948.00 71595.00 - 68784.00 67494.00 82650.00 87657.00 92407.00 115180.69 - 113076.26 59901.48 53309.79 94834.24 67709.37 74135.12 109394.87 140643.31 145157.89 97759.45 75465.00 77668.16 67294.15 48781.18 108305.86 69881.83 70316.78 69978.45 - 110927.49 145634.28 134875.89 - 118038.34 98038.23 99350.03 107807.39
Ala-Thr-Thr-Tyr
8446.00 7117.00 9140.00 7081.00 11951.00 21235.00 15937.00 17686.00 18426.00 18480.00 17280.00 10634.00 26713.00 21329.00 27467.00 16598.00 149724.00 144325.00 89199.00 66541.00 228688.00 235028.00 174783.00 138144.00 17862.68 20630.74 21594.23 12522.37 35275.40 33509.25 48310.01 29084.21 72650.45 42248.16 76762.95 62046.01 6879.00 13842.75 8273.04 6482.71 6606.25 13503.42 11944.29 8068.29 8276.54 17973.24 12061.45 8557.76 52250.12 63900.85 67188.02 64142.84 42492.28
Ala-Val-Asp-Ser
60218.00 757640.00 167873.00 1917867.00 118894.00 79778.00 239462.00 93146.00 140583.00 - 78922.00 223153.00 1304232.00 1166096.00 1355851.00 1024602.00 68508.00 150092.00 382485.00 187402.00 76736.00 210792.00 143956.00 120057.00 170575.64 935971.75 532643.56 477096.69 85031.89 265000.78 244091.83 285369.81 142202.55 168820.28 119171.14 151887.56 - - 139172.73 334541.25 1510206.38 548216.75 153187.09 2580102.25 998765.00 196011.81 424342.75 148150.45 674085.50 338320.84 294751.25 244329.66 389035.72
Ala-Val-Val-Pro
338346.00 2407547.00 500053.00 8387560.00 1321494.00 1129715.00 2036812.00 801248.00 1051527.00 1033070.00 570354.00 2302753.00 4355533.00 3888450.00 4909372.00 3301187.00 348535.00 1258249.00 3487296.00 1460639.00 599690.00 1920221.00 1057090.00 828034.00 585214.88 3338663.50 3866255.00 2028612.25 744756.50 1491804.25 2680394.25 2880812.00 1207500.38 1311058.62 874629.88 994590.62 389441.00 346822.03 919335.81 2805200.50 3395036.00 1597815.00 405962.66 8168475.50 5167684.00 1097233.88 2213190.75 692908.94 3718652.00 1562669.00 1650068.62 1608605.50 1938712.25
Allysine
121501.00 64684.00 105823.00 57705.00 68620.00 131495.00 73879.00 150745.00 100386.00 73266.00 92073.00 58254.00 257488.00 145789.00 137015.00 154612.00 254141.00 182113.00 294924.00 256246.00 219753.00 198853.00 224501.00 383841.00 164440.64 137397.59 166442.91 212904.36 244976.59 177103.89 269354.12 200996.94 189593.00 101122.04 125788.59 234342.22 69858.00 166000.81 82137.89 97409.17 58723.57 96950.85 129677.03 197561.66 64746.12 97388.38 98357.68 90499.22 276368.06 257071.94 259834.72 267334.62 198581.95
alpha-D-Galactosyl-N-acetyllactosamine
- 166768.00 - - 376882.00 205119.00 681780.00 243313.00 444046.00 508216.00 178751.00 534311.00 246069.00 270669.00 259798.00 249447.00 33840.00 387060.00 438575.00 161601.00 195295.00 451038.00 298145.00 132515.00 115026.77 239471.36 256294.33 126148.34 67578.12 268574.03 279678.22 378654.59 124483.44 211344.70 140436.94 134632.69 203124.00 70381.08 305971.19 423433.34 140771.44 62207.72 74601.52 186386.33 569901.31 104502.88 304810.44 79000.74 266847.84 - - - 196318.11
alpha-Irone
34937.00 46670.00 27408.00 39269.00 30991.00 58383.00 - 63848.00 47453.00 25301.00 44833.00 17482.00 91204.00 73829.00 28468.00 35781.00 124623.00 69522.00 75170.00 78711.00 83416.00 90690.00 104808.00 124640.00 63531.66 61500.80 40552.75 62751.51 112115.53 56853.75 91637.48 64760.00 105725.05 62974.66 70739.27 90826.28 - 35731.10 18826.88 - - 39592.27 20849.45 68105.82 - 56507.39 57532.86 - 50013.20 56738.40 68709.84 91621.37 53858.21
alpha-Ribazole
673432.00 12932373.00 1826498.00 63662088.00 1730447.00 928364.00 4013734.00 1186613.00 1936548.00 1644644.00 843773.00 4916344.00 67198184.00 63513420.00 58946364.00 47463696.00 1066583.00 5556283.00 24737320.00 8528194.00 1303209.00 7727062.00 3094252.00 2170158.00 5642325.00 36728304.00 47252108.00 18201554.00 2381407.25 6831986.00 8589225.00 11841902.00 3650543.25 3378687.25 1296597.62 2395777.25 841921.00 450540.44 2116711.75 8691790.00 35125272.00 13728475.00 3830016.50 168657696.00 26462100.00 3894693.75 12116479.00 2173963.00 22879620.00 9807927.00 10348352.00 10229411.00 10385317.00
AMP
1373119.00 650469.00 697253.00 294226.00 1490417.00 1935677.00 1419331.00 1857301.00 1834800.00 1394654.00 3174627.00 1833297.00 8922690.00 5139214.00 6659749.00 9763263.00 10102512.00 10582624.00 11217950.00 9743583.00 12094754.00 12714059.00 15458884.00 12897276.00 5446845.00 3606426.25 6619475.50 5729716.00 7463758.50 6846845.50 10915634.00 10193353.00 8793371.00 3678324.00 8545281.00 9007944.00 761979.00 1691415.38 1408688.12 667806.19 1037823.69 1439301.12 2285387.25 1624514.00 537350.19 2654559.75 3068580.25 2364230.75 10000167.00 22545012.00 22359944.00 21784184.00 5797233.00
Apigenin
569438.00 382852.00 584185.00 233983.00 547471.00 752364.00 519108.00 465979.00 630421.00 499093.00 665943.00 343265.00 2559797.00 1995910.00 2945052.00 2578821.00 3542031.00 3653102.00 2907383.00 2796078.00 2822492.00 2914194.00 2784006.00 2104492.00 2594064.75 1895618.50 2856427.75 2132999.75 2354908.50 2097616.25 2728674.25 2392811.00 1913462.25 870436.81 1529707.75 1443235.62 283522.00 395707.69 395884.81 214750.69 788437.69 1066799.38 1401935.50 1161693.50 416702.00 909250.00 755286.75 576245.06 2215465.75 5052446.00 5115265.00 5070560.00 1712213.62
Apigeninidin
362244.00 2683069.00 1322201.00 7939868.00 281040.00 260233.00 410427.00 218090.00 268973.00 330667.00 305854.00 672965.00 682022.00 727961.00 759394.00 635152.00 137977.00 258227.00 518631.00 236958.00 128475.00 332211.00 348137.00 279469.00 224872.98 505171.53 570423.19 354180.91 99666.00 267639.69 381306.31 334323.72 235344.45 313096.62 323495.53 281580.66 211834.00 165834.22 459442.31 795913.00 832629.12 688407.69 243688.25 2041463.12 752680.88 325606.91 646830.31 426996.53 785216.31 458226.97 471291.94 466114.62 472358.28
Arecoline
75838.00 57479.00 69621.00 44268.00 55174.00 66627.00 72588.00 55276.00 72421.00 54367.00 55530.00 60745.00 110636.00 108532.00 81816.00 72700.00 112087.00 173358.00 97036.00 101910.00 181604.00 151112.00 203944.00 152469.00 118581.62 69761.59 90978.15 83247.91 132368.61 116293.29 191938.41 89820.70 117352.02 67136.52 85374.48 137103.45 36202.00 53408.73 49290.37 50278.67 58720.95 62638.47 100565.51 242235.11 48489.16 87783.88 102231.56 65511.16 168926.44 214744.05 182865.06 198260.06 128814.46
Arg-Ile-Ile-Trp
19288.00 13944.00 19198.00 6419.00 79578.00 103423.00 83362.00 76966.00 123387.00 78814.00 129018.00 82361.00 233395.00 183704.00 216123.00 241673.00 280525.00 322947.00 298723.00 285782.00 397382.00 359728.00 408101.00 332756.00 146863.58 101995.57 189352.03 155513.73 245718.39 227813.50 321416.31 268526.59 288234.91 157630.72 267314.94 237689.25 34623.00 57857.89 39721.98 26584.34 41151.80 61198.00 85050.40 69634.59 59679.33 123959.80 90721.68 74171.62 213704.11 265344.81 310920.75 280882.97 182601.81
Arg-Leu-Thr-Tyr
11128.00 - 16324.00 - - 85659.00 345098.00 24815.00 78420.00 - - - 100032.00 566606.00 15766.00 - 25903.00 276079.00 12912.00 17347.00 441670.00 5086.00 343586.00 62846.00 62900.75 17469.67 28910.30 53840.74 374507.50 82067.30 88407.27 - 5919.37 15931.43 - 347534.31 10810.00 11253.97 - 30613.74 13567.69 - - - - 30633.70 36593.45 - 548524.00 464249.03 493620.03 485015.97 484781.94
Arg-Thr-Gln-Tyr
42695.00 19304.00 36118.00 15821.00 38248.00 42818.00 35865.00 50176.00 35300.00 30968.00 70037.00 33975.00 36804.00 33429.00 86155.00 97511.00 71105.00 68841.00 87575.00 87144.00 106642.00 107850.00 77366.00 61119.00 67252.96 79227.95 81838.29 78296.30 40889.05 65323.12 42845.70 100405.41 71155.57 44830.61 92040.42 45279.72 33870.00 60461.37 36970.12 29105.47 38939.41 63302.98 87124.37 58390.66 34483.02 55967.95 45572.24 52556.62 29235.31 33078.58 33594.37 33658.16 41305.04
Asn-Leu-Pro-Pro
1835072.00 4447632.00 3240896.00 8270479.00 1184616.00 1532763.00 1503438.00 1325216.00 795213.00 1182487.00 897182.00 1009947.00 1843205.00 2270092.00 2445715.00 1833027.00 891627.00 1597610.00 2059491.00 1391385.00 711874.00 1473998.00 1049667.00 887887.00 2498489.75 1631277.12 2477084.00 1681335.38 865269.06 1225450.75 1549473.75 1548232.62 1271783.50 840560.69 868231.62 988618.00 2363124.00 1814354.75 2528369.75 3187542.75 1900494.38 1671514.88 1982363.50 3369960.00 1462852.00 1059783.75 1566552.38 1042392.00 3174970.25 1915976.38 2078899.38 1951194.12 1742864.38
Asp-Asp-Asp-Pro
78575.00 73109.00 92471.00 61850.00 93801.00 112802.00 120606.00 77790.00 94432.00 68550.00 90776.00 76379.00 99448.00 103354.00 58053.00 95950.00 92169.00 114584.00 71981.00 82850.00 89740.00 80746.00 108840.00 61021.00 92577.29 72460.70 99478.22 99357.68 88235.67 81615.40 43273.58 100644.16 63986.48 110869.85 60633.27 81801.15 92717.00 80545.48 73489.02 98093.88 79203.99 95251.69 84424.60 86473.84 60061.18 78807.54 99784.84 80302.12 182929.64 81650.91 81078.60 80568.99 85658.41
Asp-Cys-Cys-Ser
318697.00 124561.00 197560.00 180346.00 241328.00 316201.00 202530.00 245042.00 213099.00 202177.00 371151.00 237026.00 595830.00 439700.00 335541.00 486985.00 613438.00 403530.00 788123.00 757962.00 413770.00 272701.00 579463.00 818171.00 580338.62 409865.28 542189.06 743099.62 620723.56 571229.94 750956.00 558555.38 610812.75 372377.34 409513.31 638935.44 142722.00 293627.59 175620.80 180815.89 138778.98 253943.58 339265.22 602071.38 164728.44 264091.12 246821.38 326999.50 637030.38 610767.19 650361.25 697205.56 584542.62
Asp-Glu-Glu-Glu
61828.00 19090.00 23557.00 - 35121.00 48579.00 39475.00 30784.00 52219.00 22865.00 41755.00 21356.00 69364.00 62608.00 110717.00 76622.00 116876.00 106868.00 93432.00 89464.00 83046.00 75466.00 106193.00 79964.00 76930.38 55137.54 63363.80 73993.48 57490.14 56659.95 77445.18 102342.73 56202.20 55484.48 75977.21 73895.27 - 29195.93 24104.67 - 23334.74 42479.46 26033.43 30980.82 - 29009.21 40526.55 - 81478.12 271168.56 278936.00 287708.41 50314.79
Asp-Leu-Pro-Pro
3875.00 - - - 9928.00 22121.00 20550.00 15465.00 18496.00 13080.00 22401.00 10368.00 45276.00 52557.00 108794.00 165410.00 175408.00 285301.00 410671.00 269456.00 206558.00 131725.00 170170.00 167237.00 46096.26 24370.60 119564.68 122763.45 111237.52 165932.36 387236.59 184953.75 64326.16 29592.54 74947.88 71940.05 - - 6330.11 - - 3982.21 13337.52 32449.30 10923.61 21116.11 21426.12 6564.23 62609.17 92599.82 106311.86 102900.20 73506.02
ATP
29757.00 194433.00 71532.00 390838.00 224619.00 164163.00 267200.00 164446.00 182319.00 230302.00 122140.00 395514.00 371859.00 417730.00 263323.00 274087.00 49204.00 194092.00 - 112434.00 51851.00 176771.00 132539.00 76457.00 88999.53 209164.52 253868.83 138125.73 28825.46 130626.80 136945.05 266022.28 94603.86 115555.01 72807.28 85464.65 100961.00 88867.52 283800.00 404958.34 163349.45 101450.74 37292.75 278100.28 - 83601.29 231926.06 92301.13 209844.20 95469.32 90860.38 106767.45 126492.70
Azelaic acid
- - - - 31248.00 80411.00 26612.00 72839.00 64897.00 50884.00 57679.00 43029.00 99657.00 93406.00 65202.00 70869.00 131113.00 125032.00 216969.00 101253.00 94508.00 137713.00 103527.00 80384.00 63905.49 54337.41 51260.32 82320.99 71152.34 90296.44 92619.59 145901.27 86018.73 92227.16 77494.84 86235.66 - 25657.40 19750.63 17478.51 18020.62 42994.84 40236.79 71779.38 36901.69 81765.23 41245.98 56969.56 340722.59 119716.38 128549.30 125035.88 61211.18
Bendiocarb
123212.00 132576.00 146163.00 107657.00 375767.00 314043.00 254243.00 245127.00 291472.00 184569.00 196018.00 193961.00 301251.00 465034.00 331500.00 385766.00 497878.00 621181.00 440586.00 394604.00 411074.00 653974.00 355395.00 304001.00 391124.41 236835.59 374147.16 421123.84 421027.19 533452.25 468275.97 426820.53 497203.56 450531.25 422891.38 397573.91 210521.00 197045.67 207917.22 174053.78 119033.22 151049.42 226142.08 167396.97 236559.52 419800.75 254597.20 191318.31 626408.06 447176.12 588770.94 468565.00 330524.16
Benzoate
2075233.00 1300411.00 1309149.00 726581.00 1328468.00 1544918.00 1784611.00 1574188.00 2007705.00 1435066.00 1815929.00 1686558.00 2695743.00 2831461.00 3338113.00 3304501.00 3608380.00 4302910.00 3855215.00 3712435.00 3857335.00 4604231.00 4329658.00 3487478.00 2835300.00 2416409.25 3366932.25 2469485.00 3190193.75 3040932.00 3984082.00 3501727.00 4712466.00 2940672.50 3713730.25 4342505.00 698165.00 1337277.88 1121808.38 739211.62 1110381.00 1279579.50 1429271.38 1819687.38 1266581.75 2407605.50 2451697.25 2101357.00 2747137.75 2759064.50 2754486.50 2749730.50 2757265.75
beta-Alanyl-L-lysine
620157.00 659396.00 785718.00 603091.00 605152.00 701278.00 712180.00 611419.00 538276.00 670118.00 731891.00 609696.00 568688.00 682605.00 703488.00 570480.00 543950.00 665315.00 635717.00 606759.00 587462.00 674342.00 652448.00 582678.00 555358.75 698444.06 683687.69 586545.44 585240.38 693488.31 694982.88 579302.00 571775.25 712122.44 651352.56 583499.81 615633.00 648280.69 694672.50 601222.62 526383.94 700554.06 721296.19 605707.38 533223.81 696394.75 719058.25 622225.88 311649.03 670384.19 757211.00 645150.06 607584.44
beta-Casomorphin (1-6)
481765.00 238213.00 280981.00 187055.00 250344.00 428560.00 163713.00 354220.00 410304.00 282973.00 432245.00 233590.00 417969.00 374086.00 364538.00 447322.00 740271.00 601349.00 658176.00 666955.00 736484.00 635675.00 654532.00 773951.00 540502.06 365508.91 506043.91 423345.19 687553.56 593166.00 680238.88 544035.44 883116.31 557436.44 683402.69 596474.94 178877.00 372414.41 213746.62 140563.55 171147.95 249543.28 255523.92 568101.06 226493.66 402971.72 344265.22 232476.91 568637.62 465542.34 421920.66 479821.97 533694.69
Betaine
1162428.00 514408.00 728206.00 304566.00 426837.00 682322.00 208876.00 638282.00 516240.00 272761.00 664351.00 378410.00 614047.00 530570.00 541685.00 796956.00 1154503.00 638599.00 872227.00 1109614.00 837411.00 550709.00 887702.00 1461413.00 934713.06 693858.62 697453.69 1119515.62 1040860.44 612805.81 861336.12 609834.31 1088331.25 668877.81 776019.56 853359.12 388235.00 948897.12 417634.34 317170.12 406520.06 684123.50 686046.62 1539453.12 312490.75 369896.22 407879.09 472450.00 1421481.00 1067523.62 1005549.69 1056375.62 1043839.12
Bicozamycin
224127.00 166091.00 187617.00 163561.00 208763.00 189414.00 187425.00 184069.00 237048.00 202814.00 222886.00 204692.00 145831.00 177199.00 187394.00 171034.00 182213.00 160590.00 174816.00 235743.00 206608.00 195136.00 200741.00 186905.00 186711.03 180394.42 205700.78 197981.33 181878.12 182913.02 180141.30 156400.06 219679.23 217110.31 202042.91 188576.58 238367.00 170108.19 192826.91 153739.39 186649.58 202752.06 181297.42 170387.56 174482.92 181048.05 218547.27 222616.27 191298.94 323865.53 301843.69 304853.38 195008.95
Bis-D-fructose 2^,1:2,1^-dianhydride
192660.00 3012134.00 678038.00 7847080.00 1871461.00 688815.00 4666468.00 1731306.00 2435419.00 2779512.00 610145.00 3087416.00 1163077.00 903109.00 430811.00 577426.00 - 385771.00 958064.00 - - 558213.00 48538.00 - - 515597.72 1026191.31 150920.53 - 185300.38 416946.59 565620.19 - - - - 1312112.00 391514.81 2152275.00 4400876.50 1233653.25 652975.88 646011.75 1657572.25 1471683.50 92016.45 351329.00 120369.31 1844507.38 778593.00 734315.38 846785.94 946458.19
BPH-674
80872.00 - - 56238.00 - 19508.00 - - - 24713.00 - 43487.00 - 25577.00 72743.00 - 66039.00 - - - - 36601.00 23220.00 70948.00 51283.48 - - - 58066.37 21702.58 33728.96 20365.91 - 49811.62 57640.99 38424.53 - 65804.64 - 42671.63 - - - - 80527.79 66968.09 21946.30 47488.73 221293.64 50556.28 66834.30 73652.97 67694.79
butyrylcholine
625380.00 361959.00 349560.00 223308.00 134341.00 195848.00 161104.00 162545.00 182497.00 129843.00 210150.00 123996.00 357657.00 293080.00 273306.00 190395.00 274603.00 331846.00 370946.00 220536.00 236023.00 247308.00 311130.00 271327.00 251131.86 238613.84 407848.66 335880.59 251102.27 138576.00 211388.11 217312.47 260031.73 125152.37 171180.89 246632.81 122620.00 336670.53 163900.66 153515.34 212216.98 279387.09 370015.44 514145.75 117137.73 113192.99 108989.66 111731.81 644991.06 294230.75 279859.16 292786.50 214278.17
CAPS
1179221.00 767801.00 723539.00 375906.00 1451348.00 2312769.00 902441.00 1418247.00 1704294.00 1192785.00 2007724.00 1102668.00 2607532.00 2021842.00 2557149.00 2858984.00 4791772.00 3821988.00 5028471.00 4590793.00 4384108.00 4214874.00 4928513.00 4457289.00 2579406.25 1893395.62 2813134.50 2769786.00 3907931.50 3366729.50 4451604.50 3825436.75 4221732.00 2516833.75 3131357.75 3583514.50 767278.00 1404232.50 960077.50 615252.38 689526.25 1011784.31 1410784.00 1823478.62 1119654.12 1923915.12 1694896.50 1309493.62 4385590.00 4344439.50 4134729.50 4339376.00 3049981.50
Carbetamide
38576.00 85421.00 32565.00 54229.00 29507.00 70784.00 98022.00 21078.00 82002.00 192135.00 21357.00 79012.00 76618.00 32290.00 97127.00 30546.00 32761.00 105174.00 88566.00 24370.00 - 23450.00 28393.00 51379.00 77494.15 23810.67 24012.99 23412.78 165216.17 34336.24 78413.66 102292.22 17560.14 58182.71 25596.33 110927.68 116996.00 86305.12 45174.11 56170.58 32079.07 79799.72 20131.40 202510.11 34740.77 28324.68 17954.47 72263.96 133498.39 123808.46 139486.23 163018.30 112012.97
carbidopa
126649.00 1613709.00 469593.00 4492185.00 334989.00 234582.00 451180.00 180430.00 300942.00 288511.00 250258.00 929468.00 914086.00 1111951.00 836377.00 752618.00 139030.00 278579.00 857021.00 291005.00 111038.00 481960.00 344634.00 322724.00 213384.16 579943.56 700555.44 365872.62 102792.00 270707.00 360282.19 543056.25 309332.22 444336.72 282362.09 273393.50 97767.00 69485.05 226080.41 683422.69 485528.50 254858.89 78917.32 1128644.75 1616319.00 311769.34 995286.38 339673.78 633070.81 367690.84 364662.03 375493.28 402881.09
Carnosifloside III
143469.00 687488.00 338202.00 1869618.00 204575.00 165281.00 274109.00 131659.00 166485.00 150896.00 138022.00 314362.00 648508.00 533817.00 550819.00 557630.00 96018.00 215649.00 451156.00 210127.00 129000.00 278014.00 229253.00 189006.00 144572.05 527338.94 533386.62 245899.17 97100.16 198351.42 287574.03 308858.09 145639.45 196121.16 157754.66 143867.91 126908.00 93383.85 201992.08 318039.19 446851.75 237330.56 89965.06 947824.88 792345.81 184722.06 352552.12 239478.70 420815.88 205729.31 225253.38 317807.16 208618.80
Carphenazine
859112.00 475668.00 979489.00 380569.00 597186.00 888147.00 681042.00 559146.00 904289.00 564174.00 748223.00 393873.00 2930861.00 2423585.00 3028534.00 2693122.00 3167950.00 3924388.00 3667115.00 2833386.00 3671101.00 3046352.00 3800978.00 2579769.00 2445747.00 1620537.75 2354751.75 1923395.12 1928778.88 1783301.75 2852575.25 2357289.25 1416077.25 824540.00 1206530.75 1594955.25 279413.00 405880.66 374520.59 223196.48 662371.75 953193.81 1263545.88 960561.81 450411.09 1313407.62 900522.81 544634.56 2134782.50 3360271.50 3462530.25 3476989.00 1849757.75
Casimiroedine
48742.00 40885.00 65694.00 26609.00 69442.00 111737.00 83165.00 68343.00 125911.00 64881.00 100781.00 48299.00 1567413.00 1394028.00 1896691.00 1653723.00 1583829.00 1755584.00 1338593.00 1137198.00 1345729.00 990601.00 1044650.00 714426.00 908362.38 734526.00 1305588.25 1024667.44 572440.00 559182.69 708564.19 520439.03 305328.38 141542.92 248417.17 231590.45 43012.00 60474.80 60829.27 40979.61 148761.28 234506.81 295271.53 235824.62 73747.21 152726.70 123689.48 65785.64 678480.25 903248.62 939913.06 961994.25 596339.38
CDP
711892.00 481216.00 487707.00 226032.00 472581.00 660394.00 227396.00 418719.00 543607.00 432893.00 738394.00 405865.00 623063.00 423667.00 598307.00 486591.00 1049987.00 580605.00 411552.00 846038.00 870906.00 708423.00 791534.00 900651.00 926685.75 582470.75 520057.09 675681.44 1085309.50 670372.50 662955.38 518021.47 1120150.88 739265.50 770103.31 893802.88 447627.00 697214.75 345353.41 222429.47 598302.75 734021.69 726032.38 479899.12 208045.78 712560.81 578195.94 514858.47 841581.94 1244866.12 1253957.12 1263747.88 754488.88
CDP-DG(16:0/18:2(9Z,12Z))
- 996517.00 141585.00 1452673.00 352058.00 188620.00 697603.00 175751.00 331584.00 411728.00 123287.00 248984.00 3414210.00 2203779.00 3564436.00 3077407.00 148096.00 1452092.00 4720383.00 964350.00 466493.00 2111013.00 965561.00 307077.00 846945.62 1833441.62 3295989.75 1306731.12 122052.99 1277251.75 1543477.00 2240842.75 118795.59 263237.34 268101.81 238737.14 264267.00 48236.29 406594.03 658139.94 450430.19 272633.44 266391.59 639947.56 876552.69 180890.16 534587.62 72769.52 1553412.25 701116.50 742552.56 656041.19 648719.38
cis-2-hydroxypenta-2,4-dienoate
141824.00 6762096.00 722459.00 22043480.00 9120894.00 4335371.00 27710914.00 4903579.00 10754362.00 16263942.00 2824531.00 19665340.00 34406160.00 20882770.00 23650646.00 19632568.00 1033272.00 15856782.00 48310612.00 7520711.00 3392929.00 33371852.00 9564051.00 4325203.00 7900829.00 17780908.00 33585612.00 10878338.00 2277958.50 14840261.00 18023362.00 38538460.00 5105001.00 8714259.00 4334712.50 6145568.00 5485222.00 1241035.50 11139821.00 33659488.00 5252602.00 2035700.88 2563064.75 15792675.00 31701746.00 4445242.50 21781038.00 2086952.62 15555613.00 12986732.00 13431422.00 13051714.00 12115855.00
cis-Aconitate
610289.00 426385.00 480959.00 680295.00 800570.00 880183.00 572315.00 859153.00 751050.00 689479.00 693582.00 596850.00 532762.00 576599.00 519838.00 566015.00 893962.00 739875.00 799810.00 1020838.00 791969.00 828680.00 994514.00 985138.00 737511.75 435065.47 443299.53 519613.94 896800.69 833871.88 890229.94 804724.75 1006407.88 827866.31 1060252.62 952358.50 432991.00 660776.81 542075.31 430762.69 267302.41 365566.50 457286.19 878050.00 556808.62 908474.06 615803.88 622210.12 812754.94 888015.56 741084.31 787956.69 788064.62
Citrate
349518.00 444935.00 674106.00 1377697.00 681854.00 1009364.00 1245274.00 718574.00 663754.00 1063150.00 813379.00 766764.00 775196.00 635977.00 985462.00 1384884.00 535720.00 617934.00 784135.00 698520.00 519767.00 1253371.00 551907.00 612108.00 1191561.38 832967.50 1193730.25 1137302.38 577059.94 782286.19 807172.25 1072396.50 506887.34 239920.08 257013.12 429737.31 1114431.00 789081.06 1096111.75 862965.31 1275538.12 990290.12 1117680.00 6267840.50 426179.16 586696.56 654320.94 481616.88 1673570.38 1326375.12 1374465.75 1502386.12 1610352.25
Clodronate
69216.00 99151.00 67005.00 100520.00 105182.00 85566.00 97082.00 76810.00 79568.00 86728.00 83112.00 65426.00 67323.00 80093.00 82574.00 70989.00 90690.00 96749.00 84691.00 104399.00 94851.00 77824.00 62842.00 69520.00 98890.12 71239.52 86157.21 80737.51 81168.11 86944.79 89512.55 78098.73 73348.64 84667.98 87564.72 68095.48 87438.00 74764.63 86998.23 86633.48 84667.95 108798.05 84241.41 82440.69 82285.01 112666.93 80654.91 94331.21 50958.92 82885.58 88448.98 91756.29 68151.99
CMP
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 15105.05 - - - - - - - - - - - - - - - 46398.39 148285.30 153492.64 133990.56 -
CoA
204694.00 133205.00 183424.00 83074.00 81722.00 149400.00 108084.00 83026.00 105737.00 68573.00 111087.00 49506.00 385560.00 380938.00 416991.00 378260.00 640640.00 778700.00 609658.00 482107.00 958864.00 580874.00 871188.00 471336.00 415101.62 329647.72 446377.50 406822.44 444415.38 416245.75 450692.19 370973.22 287357.59 133214.47 241192.94 271170.12 40556.00 49855.34 57415.20 49052.45 111406.64 148289.16 143188.25 130184.57 65446.80 185301.89 102304.62 68419.55 418172.09 1041998.12 1063987.12 1051138.25 339056.97
CPX
38435.00 36269.00 54451.00 26444.00 67777.00 72024.00 54089.00 71201.00 100633.00 87916.00 58162.00 59109.00 123836.00 140466.00 129998.00 128650.00 100966.00 114781.00 100618.00 110330.00 92172.00 93429.00 118698.00 77055.00 152794.83 119686.12 156914.50 123009.62 145465.38 121416.45 134550.00 116515.77 121271.41 122083.84 109678.22 123009.54 55561.00 51389.27 62064.02 40357.12 102950.25 103478.83 148311.41 172959.95 63208.64 163847.83 114302.80 98608.38 146540.23 182324.56 210988.52 196885.06 121339.57
CTP
24991.00 1731436.00 201590.00 6556130.00 2846049.00 1635176.00 8964973.00 1576278.00 2210953.00 3201293.00 278461.00 1837093.00 16920978.00 11873398.00 9394214.00 8344345.00 569439.00 7934710.00 28875648.00 3778855.00 1650191.00 15282963.00 4312790.00 2127872.00 3836935.00 6653544.50 14853408.00 5245191.00 780086.12 5094554.50 6425172.00 13216996.00 1566919.88 1839669.38 992555.62 1229658.25 1898535.00 416325.97 4144484.25 12493018.00 2361942.50 920211.19 1193879.50 6561282.50 15170610.00 1627953.62 7481460.00 631329.81 7089877.00 5699350.00 5588930.50 5313018.00 4906833.50
Cyclic ADP-ribose
154879.00 175364.00 166240.00 90647.00 193161.00 179564.00 131773.00 190227.00 176466.00 158611.00 162340.00 183055.00 116965.00 160465.00 189362.00 160231.00 138911.00 157259.00 159800.00 159421.00 173835.00 162772.00 164918.00 139512.00 163442.59 176897.45 160063.91 170094.84 150340.34 179518.50 177455.12 154671.53 165635.81 167808.58 177847.61 163852.00 191843.00 178212.28 168369.73 178322.06 213005.22 174483.09 189440.77 162962.05 68772.95 179241.38 162486.47 169858.64 104793.93 204239.91 235167.31 199602.59 162328.80
Cyclo(deltaAla-L-Val)
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
Cys-Cys-Cys-Gly
141540.00 109333.00 155742.00 63296.00 451928.00 652369.00 525457.00 460933.00 533954.00 317420.00 437231.00 269264.00 1203028.00 1290451.00 1433978.00 1321300.00 1890226.00 2121161.00 1428987.00 1593272.00 1609996.00 1313223.00 1452350.00 1125859.00 1384518.75 1014737.12 1169511.88 1115704.38 1437792.25 1444575.75 1397515.75 1178519.00 961371.19 588359.69 732957.38 820981.62 244656.00 322580.69 297600.03 201725.36 378295.66 472155.41 587553.88 524076.22 240477.75 742410.38 398388.88 287553.47 1018478.31 1352478.25 1325854.38 1291592.38 962006.75
Cysteinyl-Proline
160304.00 53120.00 31294.00 57413.00 36425.00 45612.00 - 52858.00 33095.00 18813.00 48050.00 45678.00 104612.00 72695.00 57334.00 82754.00 79423.00 69963.00 66406.00 90074.00 75935.00 77034.00 87115.00 125133.00 75871.42 62068.33 69834.85 92025.30 98095.58 79406.45 78896.94 73141.13 72669.16 55158.05 69433.89 84565.66 24316.00 58483.59 39844.21 16354.45 38313.04 55313.18 78594.10 112213.45 - 29134.38 49066.41 22814.80 110657.78 87380.73 113225.76 99651.74 63248.38
Cytidine
21465.00 24907.00 30126.00 19531.00 270593.00 350868.00 237718.00 306997.00 358897.00 279065.00 342865.00 193234.00 783442.00 657834.00 550405.00 666742.00 944154.00 1334301.00 1672262.00 1462017.00 1587158.00 1747045.00 1652121.00 1126617.00 390865.19 232087.12 414592.03 382823.16 566313.94 576650.19 850065.19 619167.50 651794.38 402338.97 618698.88 563438.94 185669.00 206175.75 228031.02 175894.09 70481.43 76374.07 109703.30 161584.77 128254.59 244768.42 214458.95 131180.27 2263643.25 1295074.88 1288720.75 1191878.50 715309.81
D-4-Hydroxyphenylglycine
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
dADP
1488017.00 1134684.00 1019039.00 964461.00 817244.00 944394.00 816592.00 750320.00 1104981.00 698051.00 723841.00 724968.00 497155.00 385245.00 323774.00 552926.00 524514.00 828476.00 709804.00 491971.00 460477.00 533573.00 565617.00 393080.00 372592.12 466771.31 460075.12 387558.94 406996.91 356870.62 458724.25 321380.75 831790.50 871990.38 615747.75 693574.75 495119.00 831193.25 483040.50 794315.75 583615.56 599721.44 619390.06 1246316.50 983801.50 821768.69 840682.25 613094.31 2412506.50 632702.00 644132.38 686800.75 650896.06
Daidzin
227925.00 324219.00 248891.00 228137.00 421482.00 425776.00 329670.00 283887.00 415353.00 415017.00 464914.00 428888.00 560300.00 382222.00 468235.00 390740.00 436571.00 468092.00 444441.00 423505.00 268586.00 648087.00 511017.00 372816.00 532772.75 370138.38 535579.75 371260.56 474292.03 457367.50 512256.53 514206.34 678070.88 555839.25 540948.06 601064.56 373541.00 354949.69 415059.91 329075.03 330033.19 406836.31 398652.44 335639.03 226781.56 575275.06 489963.94 374219.41 1154657.62 1897062.88 1930254.50 1907858.00 531449.25
D-Alanyl-D-alanine
27403.00 258948.00 60183.00 1420376.00 128386.00 50070.00 114306.00 39327.00 112101.00 74146.00 48760.00 273588.00 897771.00 1108297.00 616701.00 583147.00 19356.00 121320.00 624086.00 165417.00 31160.00 279009.00 98888.00 88476.00 92030.31 492255.72 479925.59 287991.81 57544.11 181783.56 238188.80 360551.53 114819.04 155442.42 70277.98 102673.64 33543.00 14317.50 58473.38 322259.12 408922.41 108705.47 33449.84 1619495.75 1837143.38 197071.55 652106.44 106805.81 404554.09 192685.02 223532.48 239880.92 232282.05
dAMP
971293.00 513807.00 695533.00 307584.00 713629.00 1143684.00 589435.00 914301.00 1097151.00 706174.00 1100633.00 721420.00 818987.00 838666.00 933202.00 967113.00 1358842.00 1137362.00 1284363.00 1488715.00 1053213.00 1171146.00 1253738.00 1356183.00 1258292.38 910070.81 1078410.00 1108257.50 1616086.62 1460730.88 1730454.75 1593113.25 1708634.25 1218265.12 1347315.25 1373154.25 526576.00 1026751.81 757197.00 389123.78 550590.94 626999.31 728302.81 784137.50 541455.38 1054645.00 916813.25 750197.94 1105423.62 440097.59 412705.81 689888.56 994837.62
d-biotin d-sulfoxide
17117.00 15477.00 21289.00 4563.00 49780.00 52192.00 31515.00 37302.00 61833.00 42164.00 57459.00 42086.00 28471.00 22737.00 26651.00 32605.00 57616.00 48449.00 41323.00 38909.00 62476.00 63879.00 78549.00 81228.00 58230.64 47536.24 46151.49 45406.00 67733.60 68020.61 61275.82 53653.09 124880.55 76999.42 81431.40 92514.36 31767.00 58626.67 38999.27 24688.17 20065.46 18585.86 16684.67 25522.85 34945.02 73597.36 54201.75 50286.02 71056.31 186112.91 195140.73 189608.58 51830.60
Deamino-NAD+
9669.00 9073.00 14336.00 26503.00 36136.00 33500.00 17791.00 21758.00 50422.00 33426.00 41116.00 29468.00 39020.00 33740.00 53114.00 54812.00 74304.00 97217.00 95023.00 75344.00 107156.00 158472.00 129556.00 118492.00 42052.64 20359.56 62628.16 44164.80 86005.87 89928.91 135279.95 126632.51 131124.39 71361.80 96783.49 113004.34 10891.00 13457.97 15797.30 12082.13 8033.94 24372.33 37250.99 33376.72 37834.66 36600.71 49501.20 33475.38 134841.61 257632.64 244752.00 261390.56 52862.65
Decanoic acid
- - - - 441688.00 870077.00 545955.00 456957.00 636847.00 540902.00 681420.00 415977.00 1504173.00 1196731.00 1181467.00 1430710.00 3158138.00 2961008.00 4193377.00 3009766.00 3641933.00 3728931.00 3534175.00 2552859.00 778058.75 444235.00 910995.00 737628.88 1222679.75 1390959.25 1698334.00 1198794.50 1600399.75 815276.19 1225451.62 978676.25 266985.00 411911.56 386568.22 319537.81 - 158765.11 186618.75 237298.23 331587.94 537668.31 430214.06 293882.88 533244.69 1597458.75 1514815.75 1547737.50 1289506.50
Deoxyguanidinoproclavaminic acid
104257.00 110161.00 115926.00 57721.00 92850.00 85304.00 74352.00 80157.00 102871.00 88966.00 105944.00 83817.00 258182.00 174757.00 215454.00 267597.00 269990.00 273130.00 296691.00 235489.00 262403.00 244516.00 272870.00 201919.00 296098.31 252850.91 312599.00 258654.83 173711.62 194560.20 248526.30 226243.39 243315.27 155457.28 202495.05 186453.97 59933.00 93002.44 101876.05 59708.30 159881.92 206287.48 218779.47 200846.33 80628.09 171853.25 132546.00 108044.98 287430.75 671651.50 726784.06 637982.88 195558.47
Deoxyribose
88611.00 98737.00 63976.00 60529.00 165664.00 161864.00 170234.00 124623.00 183949.00 141177.00 136587.00 116551.00 383112.00 307577.00 318880.00 372835.00 282145.00 494526.00 453840.00 362322.00 299187.00 397295.00 350317.00 275650.00 266240.06 223967.66 369610.28 269959.09 248435.69 318159.78 403345.41 391257.59 257770.67 181159.94 234945.92 228084.23 75688.00 102128.37 103378.75 77495.48 90096.52 122970.95 136238.69 223460.56 123611.85 152654.67 168092.92 77708.30 275500.75 313482.94 323936.94 335421.12 238859.80
D-Erythrose
63334.00 38422.00 43011.00 15397.00 84401.00 148400.00 119702.00 97629.00 131728.00 74677.00 105733.00 67331.00 171351.00 291814.00 188408.00 211134.00 266701.00 370656.00 209051.00 291497.00 508646.00 191630.00 364498.00 252993.00 207052.50 147988.81 235966.05 226031.48 337335.78 248156.89 341143.88 253409.11 199726.38 119763.79 162576.56 296853.81 52908.00 91202.22 61459.39 43302.43 57272.17 61586.07 102520.21 104228.04 40921.62 99667.92 108325.79 67704.25 350098.78 554012.50 583347.12 555357.81 308833.03
Dethiobiotin
58980.00 43177.00 62318.00 16225.00 332424.00 518267.00 318623.00 408033.00 621016.00 308431.00 474015.00 237385.00 219324.00 272292.00 171838.00 240619.00 502524.00 727339.00 509134.00 472433.00 1651332.00 974055.00 1627298.00 1109342.00 265881.12 175771.52 294210.88 306407.84 665711.69 557596.50 885395.75 523188.75 1069484.38 760356.19 1075500.25 1627122.38 118709.00 206468.67 125652.95 79356.38 50096.23 49676.82 72084.12 62201.02 152888.30 530207.94 455462.97 288562.22 860663.56 1971706.38 2076877.00 1911742.12 746523.19
D-galactosylononitol
5537598.00 8886902.00 10497855.00 33179588.00 4012300.00 6026687.00 8437789.00 4010528.00 4425826.00 6998543.00 4552667.00 4579785.00 6919404.00 5410609.00 6865785.00 9329528.00 2998459.00 4236329.00 6954285.00 4087439.00 2958248.00 9283100.00 3119274.00 3650903.00 7373261.50 5561157.50 8715511.00 6851956.50 3334747.50 5099185.00 5583723.50 6620477.50 2704058.75 4385341.00 4224905.00 2874692.75 6285223.00 4414926.50 6618134.00 7009931.00 7731639.00 5717145.50 7087884.00 32901372.00 6901408.50 3481154.25 4974368.00 9610764.00 14085506.00 7995245.00 8559028.00 8660662.00 8507290.00
dGDP
15459.00 7962.00 18348.00 10082.00 17853.00 18612.00 16972.00 17309.00 20305.00 18795.00 18468.00 19467.00 26578.00 23341.00 27987.00 29464.00 115567.00 121777.00 77090.00 79802.00 178128.00 158352.00 130499.00 120680.00 24139.27 18863.28 28388.09 26676.54 35121.39 34167.48 50036.31 29371.32 60927.13 38480.98 63364.81 59065.35 11491.00 13825.53 15785.60 12928.52 12543.56 17920.52 14573.13 23351.54 8376.56 20224.15 19109.54 13420.72 44058.28 57728.89 58532.12 55936.81 45749.55
D-Glucarate
868198.00 1011849.00 2339360.00 3334082.00 622682.00 833675.00 1226787.00 624522.00 667197.00 869377.00 822625.00 709740.00 662819.00 590750.00 1056281.00 1393633.00 438530.00 522771.00 624226.00 602387.00 446310.00 1008306.00 535493.00 581970.00 935720.56 685272.12 1180658.62 1132399.88 428317.81 707408.94 738092.00 841936.06 381434.09 537905.69 627262.56 425115.94 968060.00 594796.12 1441030.75 848874.44 976469.44 762735.19 1229348.25 6948050.00 532118.06 475304.84 808459.31 1457378.12 1341640.00 517137.00 855597.12 1215459.00 1152489.50
D-Gluconic acid
- 209213.00 59854.00 742431.00 591133.00 355535.00 1454872.00 417652.00 571270.00 922891.00 259700.00 919035.00 1223372.00 932308.00 807806.00 883369.00 62229.00 662165.00 1877604.00 311234.00 228211.00 1396542.00 612683.00 271686.00 311676.19 476383.09 979270.62 352756.97 74064.59 350799.59 487313.66 627318.62 138832.48 246743.50 198281.84 185615.58 467682.00 134603.19 809874.44 2003005.88 248666.09 142917.67 120319.31 458546.44 1368438.88 145556.78 535965.69 100974.81 799563.56 409646.38 482993.41 458619.56 435528.03
D-Glucono-1,5-lactone 6-phosphate
387862.00 158423.00 177039.00 93897.00 130539.00 241269.00 58084.00 157480.00 187235.00 96743.00 195394.00 99101.00 228869.00 134883.00 164545.00 240113.00 349805.00 153314.00 134297.00 283772.00 248333.00 180318.00 301429.00 294869.00 314629.56 215883.44 241621.73 326711.31 236375.19 146764.05 218667.72 166872.89 347727.44 151124.09 209456.31 288563.12 91381.00 253629.89 185721.02 82472.30 131415.78 240474.81 229550.89 353067.19 - 99257.84 100540.10 132393.50 544615.31 368181.97 426450.06 427823.25 269277.81
D-Glucosamine
148081.00 376917.00 170489.00 579320.00 199025.00 214408.00 547808.00 252919.00 316212.00 348857.00 167756.00 387924.00 1235613.00 958249.00 1200045.00 1085638.00 131355.00 413191.00 901944.00 275423.00 128970.00 508396.00 253564.00 216114.00 465860.59 683223.81 1581236.88 583560.81 170622.47 337354.66 394731.03 949723.00 176969.30 225642.02 194621.67 238766.08 206192.00 161060.95 457278.06 727048.62 200038.31 194025.91 255882.53 1637386.62 483892.50 74465.90 360588.41 53580.09 806102.38 440182.00 520391.25 445069.84 475366.00
D-Glucosamine 6-phosphate
6473.00 - - - 28110.00 55078.00 15239.00 28079.00 72508.00 25288.00 42487.00 22028.00 22230.00 29456.00 21122.00 32175.00 93696.00 91027.00 63670.00 57858.00 159491.00 108687.00 182385.00 131783.00 69350.52 43720.49 35776.40 43354.90 121455.12 148818.56 129012.55 95249.02 187460.97 106676.75 104360.71 165266.44 12704.00 28719.86 17611.37 5790.28 6050.13 14966.43 14869.30 16694.77 32026.38 78800.18 61863.87 25500.32 91767.79 140695.98 147442.44 138900.92 93180.47
D-Glucose
272643.00 258390.00 216379.00 170712.00 133017.00 151845.00 105918.00 146779.00 184419.00 175142.00 171326.00 161486.00 112162.00 102581.00 102945.00 122762.00 161184.00 143417.00 128214.00 145696.00 160829.00 173261.00 212404.00 217260.00 151490.27 131372.45 116763.85 129994.74 178818.16 138562.61 169567.97 150990.38 235678.62 212637.55 194652.33 238769.78 119180.00 185564.72 126690.38 104350.87 141515.72 127068.90 127759.96 178431.30 111449.27 180322.88 199746.00 180878.44 195133.16 215263.17 200741.23 188434.14 176066.52
D-Glucose 6-phosphate
34162.00 29986.00 85953.00 237711.00 99623.00 106091.00 136203.00 179970.00 27227.00 79462.00 92697.00 184921.00 144589.00 114771.00 285854.00 363461.00 156251.00 209392.00 291061.00 263982.00 144897.00 162779.00 224347.00 257279.00 119108.36 127629.95 320031.72 289553.88 97755.88 142693.78 208644.83 214449.89 91214.75 85297.06 140447.70 222953.28 34153.00 84407.88 141915.66 196141.89 35312.63 62129.03 120396.41 179247.44 41038.15 93959.55 125874.53 156311.05 277357.03 165733.58 178080.09 259901.30 283391.12
D-Glutamine
90876.00 94147.00 71019.00 90641.00 104514.00 85855.00 88327.00 73411.00 77144.00 77147.00 58594.00 42890.00 100637.00 97612.00 67290.00 86583.00 - - 35504.00 - - 13685.00 - - 86084.30 99062.09 73965.94 88690.41 74951.41 44134.28 - 64686.31 25866.90 31197.49 27793.57 16586.06 149963.00 140829.97 135599.25 102118.97 46175.22 53920.60 55845.52 91505.34 - - 43531.96 32055.52 53669.59 31133.85 37471.64 33218.18 42892.37
D-Glyceraldehyde
46652.00 28904.00 34868.00 16780.00 53189.00 83171.00 57390.00 56891.00 74530.00 45672.00 66856.00 42781.00 126268.00 116866.00 134233.00 137590.00 169214.00 187691.00 132058.00 164281.00 120871.00 98338.00 147403.00 153212.00 138875.02 95516.77 150672.53 147711.97 168378.83 157231.48 179735.19 154435.91 117996.85 85393.01 100693.85 125114.72 33246.00 61839.88 44247.38 26108.06 46091.15 51648.25 61849.44 66520.84 42815.75 78937.91 67665.64 46564.79 110205.25 136341.22 125644.11 126671.86 112015.77
Dicyclohexyl disulfide
34072.00 37793.00 22388.00 - - 42083.00 - - 25690.00 - 21866.00 - 29746.00 26515.00 21929.00 22829.00 31192.00 33825.00 26055.00 23254.00 35159.00 38071.00 46503.00 58877.00 21698.74 19727.37 32688.84 28999.21 30816.37 23395.05 26950.04 29391.97 52993.41 22980.60 21760.12 49593.80 - 21575.14 14817.08 - 17998.42 23918.82 20317.58 22004.98 - 22731.54 19385.59 - 67379.05 152695.16 142448.67 163710.86 38026.93
Dihydroclavaminic acid
23583.00 - - - 36206.00 70069.00 77159.00 60442.00 67661.00 30537.00 72644.00 61262.00 327448.00 278477.00 147235.00 184864.00 171564.00 208867.00 543531.00 194843.00 154196.00 206740.00 102606.00 153653.00 100202.68 105844.55 179838.09 122008.64 138323.28 115393.23 150164.55 216747.94 132818.53 93899.56 136767.17 118288.80 26893.00 63721.68 39140.81 64001.57 - 23175.36 40372.91 96215.95 - 60426.12 60041.34 52821.08 294844.72 170304.83 130367.34 170152.14 138511.34
Dihydronaringenin-O-sulphate
39834.00 26409.00 28238.00 - 33425.00 47297.00 33799.00 32314.00 67204.00 55554.00 54721.00 35040.00 54240.00 60088.00 64915.00 72874.00 135613.00 117576.00 116274.00 107109.00 128288.00 87941.00 95230.00 100577.00 83833.60 65453.48 40536.98 67301.01 102685.19 94027.85 118234.81 95765.65 106859.93 72235.55 92098.45 69371.30 - 60243.02 16205.67 15002.45 - 19327.05 44814.50 45167.03 39288.39 70890.73 51005.95 24900.01 118381.37 - - - 43791.19
D-Phenylalanine
5571891.00 9280621.00 15232851.00 43926632.00 4631192.00 6468295.00 11888515.00 4317828.00 5022410.00 7297966.00 5782195.00 5350552.00 7576059.00 6043961.00 8394073.00 11228319.00 2705830.00 4418155.00 7959017.00 4509651.00 2990900.00 9563853.00 3521558.00 3704189.00 8086967.00 5691924.00 9086481.00 8303666.50 3112495.50 5396528.50 5474584.50 7596915.50 2741189.50 4022055.50 4271318.00 3174714.75 6956042.00 4595087.00 10948539.00 9152249.00 7985314.00 5492989.00 9265150.00 42184460.00 6670305.00 3324074.75 6491156.00 10345538.00 15019998.00 8808366.00 9072264.00 9194468.00 8604159.00
D-Ribose 5-phosphate
357596.00 330348.00 299286.00 257011.00 838977.00 1045252.00 768809.00 746073.00 945840.00 674183.00 750452.00 530035.00 1048916.00 1194009.00 1198628.00 1653131.00 1929254.00 1990215.00 1891321.00 1726048.00 1329634.00 2003140.00 1347632.00 1020815.00 1352126.38 1027542.31 1431138.12 1403210.12 1048665.38 1168726.75 1069609.12 1317216.62 1216713.00 1054636.50 1034697.56 942885.88 423930.00 567675.25 572208.62 527339.81 602531.38 523426.72 733717.88 535908.81 553143.50 1123790.62 714431.25 513213.12 1490913.75 2265407.50 2152544.75 2233062.00 1183252.62
D-Sedoheptulose 7-phosphate
44908.00 38172.00 32222.00 23851.00 86610.00 105496.00 83984.00 81377.00 49157.00 35354.00 82607.00 68423.00 125531.00 101869.00 143561.00 182308.00 145343.00 151320.00 188964.00 200591.00 107902.00 101160.00 155574.00 155941.00 171178.44 112740.88 191950.05 187016.17 107861.90 105975.60 156901.31 156155.50 85395.21 76333.17 42398.07 95571.57 42245.00 74480.70 62978.29 35408.32 32562.24 31671.85 68036.58 98934.94 - 40784.88 50434.25 29894.26 157794.88 235985.42 225363.39 229152.67 119605.20
dTDP
- - - - 4277.00 11334.00 11700.00 5480.00 5420.00 3698.00 5436.00 - 33187.00 45413.00 22629.00 23500.00 60691.00 118361.00 39349.00 38785.00 81572.00 32940.00 48827.00 26345.00 35505.59 20776.24 25079.24 21006.24 52787.07 35713.85 55941.00 26799.99 22268.37 16751.65 23819.74 41105.17 - 3610.49 3956.86 - - - 3786.26 - - 17607.22 6587.08 5201.66 36335.76 44334.09 46828.65 40217.00 41225.44
(E)-Glutaconate
11503.00 14797.00 13579.00 - 19760.00 54344.00 15463.00 5832.00 26179.00 19388.00 11100.00 6945.00 57488.00 37155.00 27947.00 - 45802.00 36959.00 - 19080.00 81816.00 39559.00 75668.00 16626.00 48960.47 29087.92 20133.97 - 41275.53 25140.08 17637.47 10795.96 44980.89 18300.09 19879.99 13028.80 18344.00 26026.86 18472.96 19340.01 28922.57 14775.46 12287.40 - 22659.15 12230.13 12013.32 13587.61 94540.60 116343.58 91171.35 62028.77 26800.38
Epsilon-(gamma-Glutamyl)-lysine
314429.00 3244351.00 875006.00 4659863.00 3703629.00 2349771.00 4310417.00 2551468.00 3267894.00 1954558.00 1959638.00 4068116.00 6666937.00 6005756.00 6586192.00 5716168.00 1047888.00 3461362.00 6584177.00 3322797.00 907967.00 2958948.00 2547704.00 2132472.00 1334230.00 5150783.00 6225318.50 3966382.75 1267935.00 3322911.00 4188425.00 5162394.50 1680167.75 2272942.50 1657126.75 1763898.00 950085.00 947271.06 2330654.25 5666474.50 4063222.75 2565874.25 905315.56 8250595.00 4162702.75 2719949.25 5071914.00 2056941.62 3683276.75 2046585.75 2147265.25 2192872.50 2386015.25
[FA (11:0)] undecanoic acid
172779.00 117191.00 247670.00 150884.00 219199.00 156118.00 355449.00 335470.00 196710.00 182318.00 144095.00 152084.00 85321.00 215453.00 248457.00 355163.00 123800.00 326754.00 274615.00 203357.00 287453.00 78713.00 181511.00 168817.00 136253.50 293228.41 164618.14 281095.28 163499.77 236024.23 270497.09 235884.06 62309.19 172693.58 210930.34 137498.34 212590.00 147055.61 137125.47 233808.41 142210.77 99975.25 172787.98 253975.70 281315.81 219789.91 135392.81 272093.12 - - - - 119039.71
FA (12:1) Decenedioic acid
114079.00 111334.00 141476.00 95335.00 122982.00 161107.00 150019.00 100032.00 108524.00 132121.00 163864.00 98499.00 138330.00 162201.00 166199.00 120025.00 317083.00 363493.00 162344.00 236501.00 264058.00 188615.00 225894.00 164355.00 150536.17 157195.98 181235.31 119881.16 172804.06 184352.48 257078.16 131788.34 154103.31 170778.31 154911.02 134550.09 98486.00 138533.67 149300.92 98846.86 89332.46 134626.56 157812.00 111059.27 91258.88 153773.98 160857.11 96951.75 138460.19 227726.48 248240.38 202432.95 147210.47
FA (12:1) dodecenoic acid
306740.00 3736004.00 731694.00 14227772.00 2155645.00 2002252.00 4669109.00 1298959.00 1779481.00 3230003.00 678656.00 3769641.00 7570334.00 6520214.00 3773884.00 3146750.00 362961.00 3148326.00 7107421.00 1526207.00 861637.00 4168260.00 1224485.00 568119.00 1491606.00 3254906.00 4280001.50 2075331.38 687713.94 1774286.38 3455652.50 2973028.25 1107330.62 1486941.75 669723.19 926370.19 1344169.00 495145.28 2447324.25 5974620.50 2204364.00 927666.50 736332.75 10302718.00 12785861.00 947725.31 1951419.00 750932.69 5174957.00 2150644.25 2028068.38 2020003.75 1522232.00
FA (13:2) tridecadienoic acid
58358.00 296110.00 80378.00 1248072.00 176455.00 133292.00 285711.00 115529.00 166033.00 141658.00 95192.00 312523.00 424581.00 442958.00 502591.00 443807.00 60324.00 137590.00 600941.00 167600.00 117000.00 247231.00 121029.00 102742.00 93365.23 424966.12 407772.41 306773.00 93205.49 213628.86 348707.56 358427.22 132120.67 186154.77 124072.59 124077.88 34593.00 53645.89 124227.62 373838.19 345588.41 127831.39 47411.34 993059.69 1072065.38 203931.98 468290.56 136581.56 475521.38 231975.64 290165.97 316125.28 297858.03
FA (14:1) tetradecenoic acid
170232.00 107303.00 154632.00 68991.00 122484.00 120926.00 90229.00 121097.00 152240.00 98175.00 165115.00 91142.00 83589.00 77824.00 98795.00 95257.00 191059.00 149732.00 99220.00 134626.00 148233.00 96952.00 142687.00 158456.00 111988.19 107700.45 96472.39 122005.80 154222.00 110008.34 115846.20 114097.60 139885.75 131925.08 163141.62 130165.66 128080.00 197660.41 115621.16 84706.16 124376.77 153015.70 142873.00 103637.28 72739.38 147948.72 114624.84 129145.54 151101.72 162024.02 168135.39 160314.42 139112.98
FA(16:0)
49554.00 31620.00 50073.00 19806.00 64812.00 96977.00 95943.00 79388.00 105117.00 76676.00 120219.00 81058.00 309287.00 297431.00 418790.00 419352.00 583436.00 770572.00 705947.00 563253.00 811660.00 611738.00 1279737.00 773991.00 213727.38 145115.34 278489.81 241323.12 215217.31 181522.88 399183.22 286143.22 328209.94 171529.52 523228.66 546919.88 32150.00 53764.61 51596.41 43633.74 40478.92 53600.47 92599.00 86665.73 45952.66 177937.88 148007.09 88429.20 362341.78 502384.09 485680.19 469167.28 321371.91
FA(16:1)
229597.00 141170.00 151424.00 99355.00 284601.00 418371.00 246625.00 284218.00 365355.00 280730.00 338025.00 228539.00 572037.00 511094.00 598173.00 672212.00 755197.00 948478.00 928371.00 802423.00 820010.00 847490.00 839240.00 782276.00 576653.56 433587.50 653032.19 527838.62 615356.94 707741.69 949973.56 822498.19 635017.44 508306.56 562945.69 620390.56 159683.00 258115.12 195862.72 125634.34 163702.53 211650.95 299832.72 308604.81 191763.66 391601.03 357061.75 210082.27 329176.81 854275.94 838449.25 793645.06 487338.09
[FA (16:2)] N-hexadecyl-ethanolamine
- - - - - 31571.00 - - 41648.00 - 33301.00 - 65010.00 35063.00 50595.00 56056.00 85775.00 60482.00 57499.00 88090.00 113867.00 72306.00 87008.00 101093.00 64036.69 33788.76 73198.52 52387.04 89486.82 49151.98 113940.92 47776.22 71646.06 38607.64 43573.23 65824.56 - 34411.38 - - 26390.19 27996.60 28185.86 41296.88 - 48006.73 22306.49 - 63093.01 196813.17 182836.34 174522.95 85663.72
FA (17:0)
24845.00 95904.00 55593.00 215693.00 25932.00 144386.00 103147.00 26203.00 159051.00 122793.00 36991.00 42677.00 39272.00 46472.00 239794.00 - 52532.00 48245.00 184925.00 27023.00 31074.00 127517.00 59683.00 70724.00 73699.79 34082.85 60109.80 107112.88 124403.69 30677.06 97122.12 122618.50 36947.72 90410.04 58664.61 79757.01 32422.00 38115.01 31041.71 177698.31 261316.55 49200.95 24295.31 103093.65 122841.61 37828.96 35583.75 49788.76 209005.92 115144.12 103606.89 91459.66 96895.19
FA (18:1)
168247.00 70373.00 102821.00 48155.00 117713.00 197434.00 139982.00 148760.00 194926.00 115796.00 193936.00 138211.00 333403.00 266628.00 206905.00 323818.00 415934.00 592208.00 303444.00 337514.00 695938.00 525902.00 913509.00 683039.00 234772.12 146761.47 244178.09 282607.34 426960.16 267755.34 406946.34 275641.94 458623.28 358070.38 464478.62 661670.12 77613.00 154407.61 97978.84 67086.29 102435.18 115917.39 137029.64 129610.17 80878.95 248628.05 267808.53 149569.11 457448.31 451467.03 443033.38 450254.06 357586.75
FA (18:2)
98557.00 107534.00 113586.00 94101.00 134246.00 145161.00 117226.00 112815.00 146077.00 147676.00 110878.00 111273.00 118233.00 101381.00 130032.00 98789.00 114444.00 117952.00 119747.00 141841.00 110696.00 131159.00 101132.00 115462.00 99614.22 125269.39 119598.55 106104.95 111212.86 131587.94 103078.17 106100.49 100778.12 122782.66 127204.04 88587.69 116117.00 118613.68 116095.07 106906.64 117397.01 96022.63 120460.34 117788.59 96553.97 120690.62 117582.28 129588.02 101168.82 114855.75 122821.43 123867.62 142336.02
FA (18:3)
501358.00 316300.00 470305.00 274589.00 337699.00 688544.00 917470.00 513420.00 655971.00 364366.00 380412.00 331272.00 651701.00 1346107.00 489631.00 389223.00 625020.00 1001919.00 542785.00 622864.00 1557048.00 530871.00 1120865.00 780907.00 614247.69 458563.97 516561.84 571263.31 1152120.25 655112.94 776498.56 521128.78 508409.53 478230.78 436566.91 1142305.12 366629.00 452854.81 347658.97 469375.38 364577.53 346285.19 348726.03 364095.75 295763.38 508923.91 542969.69 343560.19 1648524.38 2430681.50 2476088.00 2484973.75 1901875.88
FA (8:0) octanoic acid
73218.00 53514.00 76291.00 32063.00 126003.00 139582.00 97550.00 102817.00 173008.00 117769.00 163883.00 98649.00 149853.00 135492.00 148821.00 159681.00 297333.00 316477.00 242605.00 239933.00 371204.00 322314.00 440068.00 325767.00 209735.12 154061.69 192962.91 173967.59 235822.62 236904.69 260140.11 218665.31 301262.88 203446.64 223889.41 290333.75 69529.00 106384.02 80976.12 49139.54 65852.98 78979.47 86384.00 81481.25 89720.18 217392.81 149648.78 119539.22 235573.28 559743.12 559759.06 540467.25 188967.77
FA (8:1) octenal
80156.00 65568.00 53439.00 246105.00 80180.00 123870.00 104928.00 58336.00 48354.00 68642.00 46039.00 74247.00 103769.00 97144.00 179968.00 61234.00 52963.00 130598.00 261115.00 49006.00 80487.00 89529.00 67650.00 53392.00 72642.69 61644.08 63510.25 53441.38 114908.73 93243.55 163380.81 203337.47 64683.16 109140.50 74617.38 102671.92 22442.00 26695.50 46332.03 108862.92 61857.95 74591.43 20153.04 90733.47 297118.31 86994.43 53756.18 65340.60 418275.28 181006.03 174128.12 186905.59 217496.00
FAD
- - - - 23218.00 7725.00 - 5815.00 13985.00 21712.00 25692.00 14519.00 19402.00 - 16278.00 26587.00 226761.00 82070.00 98982.00 72675.00 35359.00 262027.00 59367.00 80108.00 10329.57 7795.23 6297.97 - 18926.72 24425.94 33634.99 44415.11 122506.53 47225.13 132328.70 21553.54 - 6364.75 - - - - - - 6403.71 12981.26 - 5620.99 33888.43 - - - -
FA dimethyl(16:0)
1648520.00 1135150.00 669953.00 7465960.00 1358128.00 3073519.00 10761929.00 680739.00 1118324.00 2402297.00 614035.00 2575767.00 1715532.00 2778349.00 2411072.00 1167616.00 1418304.00 3503666.00 3085575.00 735228.00 891513.00 1942705.00 1446524.00 790015.00 1855349.50 829815.38 1127230.88 1319745.75 1076472.00 1257289.00 1602785.50 3745374.50 635491.38 1148511.62 1201346.88 1672651.62 619400.00 936087.44 946185.19 1553296.12 840924.12 1196620.88 1563015.25 1383553.00 3586269.50 1193726.12 1003445.00 660602.44 5343511.00 3118375.75 3115129.25 3250566.25 4112851.75
FA hydroxy(16:0)
165933.00 113435.00 101528.00 70719.00 130974.00 217601.00 110297.00 154505.00 162187.00 171774.00 208859.00 149768.00 215312.00 179444.00 177785.00 189799.00 434166.00 291360.00 316440.00 396644.00 349012.00 441698.00 478014.00 402056.00 188687.03 154238.78 197250.45 177248.83 210040.89 281881.56 384509.88 333128.84 451144.16 273722.34 341562.28 359002.12 102275.00 153641.36 106368.43 78030.20 95570.99 113167.30 146132.97 124242.85 86130.78 163532.77 174916.44 92602.04 579424.75 1185332.50 1144896.12 1180785.38 268361.72
FA hydroxy(16:0)] hexadecanoic acid
- 25209.00 - 36858.00 41320.00 31211.00 - - - - 25370.00 34528.00 25625.00 42523.00 - - - - - - - 28624.00 - - 36625.48 - - - - - - - 26876.08 - 32717.47 24128.74 - - 32974.98 - - 27950.75 - - - - 25381.01 - 106039.71 253685.00 260322.67 281961.22 41769.27
FA hydroxy(18:0)
- - 187164.00 198622.00 150722.00 42532.00 168619.00 92165.00 150025.00 153435.00 18982.00 263359.00 - 83408.00 75055.00 - 155162.00 194464.00 85997.00 212341.00 195851.00 206836.00 100669.00 108797.00 - 71320.92 258295.52 122696.12 141239.02 183223.25 179461.14 199317.89 120660.95 - 66488.02 89969.27 - 97242.05 - - 157903.91 195607.56 66880.90 300428.91 290933.00 46774.70 - 228481.61 278694.94 110368.90 125813.82 128445.26 150140.81
FA hydroxy(18:1)
97929.00 74347.00 70530.00 66412.00 109988.00 163017.00 75508.00 113930.00 125647.00 114064.00 146757.00 88564.00 257365.00 203493.00 166975.00 250735.00 282428.00 202999.00 269096.00 299848.00 143470.00 204474.00 260297.00 290467.00 303856.09 238502.34 380144.03 347454.25 188291.16 205354.23 229397.03 332872.62 210898.41 167635.16 172552.39 188114.80 80268.00 125498.23 129238.93 67089.53 89164.55 143832.44 217521.05 211913.17 40845.18 101157.16 146960.20 111791.48 534406.56 317177.62 338253.72 379734.25 257270.69
FA hydroxy(18:1)]
159330.00 608881.00 286897.00 881869.00 562254.00 286966.00 534058.00 406350.00 680628.00 634983.00 416477.00 584623.00 7274205.00 4590099.00 6235685.00 6610547.00 763447.00 3950181.00 6914851.00 2856430.00 2580423.00 3903528.00 1528123.00 829559.00 3213292.25 5025958.50 6159363.00 4967770.00 1717064.25 4356122.50 2897251.25 4510090.00 598586.38 687162.31 704605.56 632064.75 412588.00 33690.86 541769.12 636564.75 1189758.38 1364365.25 2014787.12 3005695.50 1143589.00 534467.56 528647.75 272915.62 7001261.50 1756875.62 1975693.12 2444783.50 2372542.25
FA hydroxy (18:2)
42317.00 87233.00 68124.00 53855.00 84202.00 83607.00 79988.00 84669.00 109407.00 104912.00 63032.00 80700.00 71978.00 71828.00 73828.00 65647.00 81133.00 105321.00 70094.00 96226.00 93477.00 81389.00 79463.00 109481.00 96793.98 89355.63 83466.52 101220.73 74419.51 86587.63 93115.62 89870.25 101490.25 111997.83 70021.56 98081.16 39912.00 39953.54 82772.83 62377.62 107409.98 80533.18 78552.28 68480.28 87227.23 86423.41 79912.13 77362.91 33473.25 108286.55 78353.29 117017.53 84194.93
FA hydroxy(20:3)
5657.00 - 10803.00 - 151955.00 268593.00 215832.00 184508.00 205477.00 169590.00 189512.00 138196.00 129127.00 82013.00 93650.00 96010.00 1251490.00 1408465.00 879184.00 685465.00 2113026.00 1819674.00 1654396.00 1218860.00 70913.93 61332.38 140334.70 52652.67 586870.06 534557.44 805064.88 377054.25 888470.56 525707.81 793951.06 844974.62 38511.00 52521.84 48035.24 46363.61 - - - - 39692.82 168687.88 89602.88 76481.73 471942.91 567294.62 582897.19 587943.56 490012.81
FA hydroxy(6:0)
696883.00 527290.00 432841.00 268010.00 398777.00 604351.00 326247.00 402110.00 692468.00 441219.00 632551.00 391657.00 789863.00 661690.00 899681.00 946255.00 967911.00 812003.00 869341.00 1070477.00 736264.00 678565.00 970428.00 1012713.00 977307.56 739460.69 1081418.62 926708.38 674216.38 611728.06 899279.50 828250.44 949475.38 694845.06 631738.12 822898.69 314346.00 694851.62 444464.09 296456.81 348231.62 496540.59 565754.06 683339.12 235407.66 359513.41 589684.31 258920.34 881616.31 2279734.75 2266899.50 2186083.75 715737.31
FA hydroxy(7:0)
95528.00 60755.00 90297.00 83569.00 65738.00 99322.00 75935.00 104936.00 60846.00 84230.00 69095.00 80334.00 84890.00 77162.00 65141.00 63113.00 99930.00 47769.00 45906.00 51208.00 52989.00 53333.00 107115.00 101053.00 81972.10 58554.77 48450.58 74313.29 115455.94 73561.27 58961.16 68375.84 70359.04 100039.33 86394.59 84833.21 78665.00 104244.65 78022.49 117467.99 32406.62 85608.41 67272.98 136411.38 118273.22 71473.81 74011.84 89899.44 335082.81 109118.56 109624.29 102763.85 127493.48
FA hydroxy(8:0) hydroxy-octanoic acid
939350.00 518037.00 522333.00 302150.00 408022.00 339853.00 293305.00 385105.00 430874.00 354951.00 547251.00 323458.00 698468.00 589395.00 681205.00 876297.00 991247.00 968924.00 1026095.00 1077880.00 784424.00 629654.00 939127.00 951670.00 817876.12 665473.56 917964.12 937209.44 742066.56 664254.25 1097661.12 832333.81 638954.94 563246.00 597079.50 662824.75 309402.00 541230.00 368743.44 231338.34 388600.66 498230.91 530934.12 712181.31 237371.50 314295.16 430421.69 258293.05 736900.19 1002652.06 946918.31 958187.19 621345.00
FA hydroxy(9:0) hydroxy-nonanoic acid
29197.00 148005.00 24100.00 130911.00 31988.00 67744.00 280826.00 19060.00 115364.00 308473.00 40030.00 124112.00 215237.00 191540.00 206281.00 75942.00 47462.00 205106.00 279414.00 31503.00 24712.00 78185.00 61695.00 50898.00 79463.44 39277.48 48408.71 60669.64 106219.30 33573.62 74262.12 189287.98 25703.09 49259.93 26762.67 97087.70 95627.00 64630.86 54671.15 217332.59 60431.53 63408.08 45116.50 146880.00 159177.45 38729.00 89042.00 67770.36 229724.80 111685.17 121141.69 92749.41 75019.48
[FA methyl(11:0)] 10-methyl-undecanoic acid
298561.00 300909.00 269805.00 388845.00 252615.00 287575.00 243488.00 236601.00 290466.00 280851.00 318979.00 267479.00 297165.00 218683.00 241053.00 295192.00 326589.00 319391.00 267852.00 251638.00 312549.00 257050.00 410843.00 282426.00 327812.69 301788.75 261550.97 274003.06 290227.75 387289.66 310630.09 380174.09 418254.66 378352.94 334081.56 324658.66 229145.00 310323.16 263105.59 303431.66 329796.38 254824.84 263552.81 418075.56 325798.56 258564.06 773061.94 244983.34 1593676.12 3490758.00 3604958.50 3606513.75 3705331.75
FA methyl(12:0) dodecanoic acid
29338.00 72969.00 52876.00 120710.00 78371.00 96168.00 202579.00 78570.00 88699.00 132889.00 60354.00 98655.00 446553.00 456207.00 315211.00 254759.00 97338.00 201587.00 521982.00 176722.00 104356.00 401089.00 144532.00 154769.00 121574.50 182142.34 278029.88 118136.82 81472.66 211790.23 236954.66 290898.84 120626.87 108310.78 120415.66 117943.52 59244.00 48747.49 115270.03 184017.56 39162.01 64422.55 55811.54 243076.44 367793.09 63114.76 146044.69 48745.62 301523.91 156679.22 139366.62 164536.69 159675.41
FA methyl(14:0)
57821.00 38140.00 33423.00 26912.00 33527.00 40230.00 23592.00 37907.00 56552.00 34821.00 47293.00 47094.00 39253.00 28007.00 37126.00 36217.00 40033.00 37397.00 41913.00 43359.00 49083.00 47575.00 66718.00 62894.00 33527.60 35957.69 43316.90 32845.43 53324.43 34835.52 44054.38 55098.70 84528.78 40026.04 64908.04 67920.34 26325.00 42808.73 33331.08 31744.71 30530.47 41025.89 34264.00 39579.70 25471.12 31053.15 42187.78 37650.47 64365.99 161766.33 172240.23 124851.50 46973.05
FA methyl(15:0) tridecanedioic acid
243320.00 96956.00 160315.00 210356.00 110062.00 158448.00 122640.00 169063.00 162872.00 116284.00 102150.00 149868.00 96174.00 97868.00 96121.00 71723.00 143701.00 137204.00 171829.00 179551.00 245513.00 283407.00 242139.00 200630.00 178912.72 151003.86 174027.39 178194.70 137775.64 155404.17 228742.81 121833.55 264720.44 178460.64 159970.86 116937.31 125346.00 148635.25 125744.66 100460.29 114606.30 134240.83 126690.33 222089.92 376319.53 141114.17 124353.23 148438.80 83924.59 291184.91 235641.14 205468.70 229987.73
FA methyl(16:1)
424625.00 226110.00 229358.00 146599.00 181767.00 225024.00 102099.00 195278.00 187790.00 123830.00 261817.00 138622.00 273545.00 189982.00 278470.00 329107.00 368219.00 304974.00 284423.00 319267.00 267016.00 184792.00 337146.00 372206.00 386228.03 327687.31 364390.84 405933.81 263734.38 207015.08 276786.69 261496.98 307077.34 228403.45 190195.03 296812.78 138640.00 287508.56 184065.28 84011.27 197683.52 240579.17 288624.38 379096.56 71688.57 156932.53 188663.44 124917.71 391835.81 531477.38 502371.91 510837.72 276615.78
FA oxo(12:1)
939350.00 496304.00 522333.00 270938.00 323063.00 421892.00 147139.00 387982.00 312692.00 187517.00 494956.00 262443.00 323330.00 298501.00 496793.00 474661.00 651510.00 404617.00 580303.00 568417.00 529981.00 373028.00 529202.00 823388.00 615885.19 580586.69 636948.81 734261.69 523979.62 397148.56 534134.50 494298.47 698028.50 537224.56 461704.78 600660.06 251411.00 541220.44 368743.44 202800.50 388600.66 498230.91 530934.12 712181.31 208045.14 314295.16 393146.97 190279.39 1410162.38 739458.31 814801.19 821976.50 494052.94
[FA oxo(14:0)] 3-oxo-tetradecanoic acid
16224.00 18814.00 14339.00 - 26826.00 42535.00 20290.00 19745.00 42190.00 28281.00 33803.00 24537.00 46600.00 58997.00 52066.00 65378.00 85170.00 79599.00 96607.00 75692.00 73806.00 80117.00 78333.00 68020.00 44672.23 39428.20 56964.82 54384.99 69164.63 64157.54 85345.80 71898.05 80578.45 56360.16 62331.26 72603.08 11884.00 31218.75 12055.84 - 18475.07 25585.04 32768.94 33100.80 20098.52 45850.17 32594.43 18926.77 158229.75 287603.75 234062.02 314814.56 52672.76
FA oxo(14:1) cyclopentanebutanoic acid
- 30163.00 - - 158402.00 136071.00 125120.00 110690.00 95582.00 39467.00 36688.00 36640.00 220977.00 187001.00 245681.00 223465.00 204328.00 218719.00 155188.00 162719.00 75475.00 146312.00 87818.00 94999.00 156863.25 137231.69 215360.77 171035.09 115854.39 144982.05 113035.08 137377.22 86890.57 82115.82 71608.02 70372.02 65106.00 116243.77 136695.34 86379.86 57174.33 84643.01 95580.51 120674.90 - 102573.88 37757.71 42360.80 155691.84 163468.59 160161.09 163993.39 113244.85
FA oxo(16:0)
- - - 26469.00 - 36103.00 - - 32705.00 38051.00 87692.00 33752.00 176375.00 103802.00 204089.00 181759.00 425719.00 240081.00 538585.00 302464.00 541579.00 946116.00 566073.00 446448.00 74715.77 49755.14 137678.78 102983.08 84841.64 82557.92 233073.33 211438.67 235983.03 71681.23 330468.66 212025.83 - 26524.80 28681.32 28911.17 - 28943.78 - - - - 25198.40 - 438674.22 732816.88 745437.69 799044.19 142164.31
FA oxo(18:0)
- 685448.00 35807.00 2674114.00 120251.00 73727.00 458263.00 63917.00 190943.00 371369.00 77853.00 423349.00 2927788.00 2460600.00 1991227.00 1667424.00 24532.00 654310.00 3189422.00 383658.00 101382.00 1435042.00 335879.00 139586.00 334141.53 849280.44 2134049.25 629871.88 49414.82 336989.56 507763.97 1373272.50 62531.00 155215.50 91505.81 117820.33 98300.00 - 222440.08 563882.50 294568.94 150539.78 121947.96 661527.38 967181.19 112455.52 424137.50 22999.68 817107.75 520572.97 559879.62 488591.78 408751.62
FA oxo(7:0)
178480.00 106074.00 120167.00 59211.00 70828.00 111062.00 - 77663.00 78629.00 38736.00 79275.00 63839.00 113766.00 76043.00 139477.00 137182.00 223034.00 122404.00 157976.00 200343.00 115653.00 76086.00 152584.00 164909.00 181131.23 118959.66 185936.97 235334.52 153617.75 107291.23 112263.81 106876.00 183269.91 89468.80 82874.30 118288.69 - 133060.66 71940.45 47996.70 81974.25 118802.06 108047.49 153072.66 - 36254.50 73188.77 62826.20 130257.91 204389.05 211686.53 201786.38 126930.88
FA oxo(9:0) oxo-nonanoic acid
44781.00 36239.00 64278.00 27571.00 75335.00 114205.00 64677.00 65471.00 145667.00 114378.00 268125.00 62293.00 165868.00 75277.00 131791.00 111028.00 902022.00 563350.00 627245.00 663188.00 854337.00 1179518.00 1132000.00 954050.00 141212.48 77763.33 74330.57 68476.19 258362.92 166583.52 422962.75 276826.81 740120.50 194394.34 394336.88 611903.12 18492.00 42100.79 25953.77 14344.39 37776.42 70453.18 56297.72 32077.65 65658.10 195269.11 149350.33 68839.34 2579541.25 4663778.00 4580518.00 4514062.00 391313.47
FA trihydroxy(18:1)
- 145150.00 - 982370.00 110373.00 73858.00 541416.00 77802.00 108999.00 233111.00 50056.00 229791.00 617800.00 863696.00 264309.00 282341.00 - 152004.00 765176.00 70595.00 - 112305.00 27552.00 - 64902.24 176112.09 262822.53 46896.43 - 50276.11 54896.61 210248.34 - 30458.06 - - 31675.00 - 91930.45 430698.34 127219.18 26315.41 25013.44 759406.81 1233893.12 33716.46 181813.20 22254.10 221846.70 138340.28 96729.18 116852.05 121607.72
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid
157767.00 129205.00 156705.00 117264.00 132548.00 275618.00 362087.00 155018.00 208217.00 156910.00 146845.00 140572.00 289840.00 340437.00 221496.00 144008.00 209142.00 328284.00 186234.00 185392.00 292698.00 202599.00 312101.00 240371.00 227720.27 143611.11 208303.30 220025.77 327919.78 286571.97 291552.78 144764.16 171140.12 186027.83 144759.67 397983.44 148124.00 162742.64 139169.73 178167.17 133390.20 150243.67 150047.09 133133.16 141429.34 195083.95 214800.47 124827.84 236436.80 283063.09 288768.38 296535.72 298233.91
[FA trimethyl(13:2)] 10,11-epoxy-3,7,11-trimethyl-2E,6E-trid...
644623.00 315363.00 387719.00 188028.00 313031.00 633525.00 271119.00 384112.00 402020.00 264053.00 533158.00 303314.00 682489.00 551352.00 587661.00 664669.00 1087308.00 797733.00 892983.00 988019.00 867792.00 803492.00 1099868.00 1210233.00 767089.44 573778.19 702068.31 880456.75 886339.75 696659.94 956791.94 984951.44 1016587.69 652295.50 815839.38 914367.44 257849.00 613055.00 305863.97 139401.55 300248.66 433966.22 551988.69 783427.94 274989.19 497554.47 411188.81 380416.16 178566.41 1285874.25 1098470.00 1164720.00 932097.00
[FA trimethyl(13:2)] tridecadienoic acid
77691.00 132047.00 88998.00 57296.00 106937.00 164826.00 120459.00 139273.00 138558.00 131610.00 143923.00 109793.00 156457.00 197005.00 205748.00 188495.00 156931.00 251550.00 282620.00 250173.00 262716.00 458361.00 305738.00 308936.00 106925.66 158528.31 180611.14 182086.53 201737.11 240508.66 382220.66 311679.91 210347.88 188849.31 288138.38 205451.44 75698.00 95633.98 119317.67 93001.39 89642.70 89327.86 72937.38 210908.91 106829.72 111300.89 226504.14 62790.93 527698.75 159601.31 173282.80 185881.31 179113.34
Formyl-5-hydroxykynurenamine
- 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
Formylfusarochromanone
265129.00 206283.00 309512.00 108561.00 613038.00 943561.00 627542.00 568686.00 706706.00 468889.00 563898.00 372971.00 1146094.00 1222809.00 1272998.00 1141834.00 1701100.00 2038271.00 1212453.00 1408352.00 1880547.00 1485476.00 1614968.00 1259449.00 1193461.12 852793.31 1146008.88 883917.06 1217600.12 1389641.00 1610161.38 1110844.25 1163958.38 893464.38 1044138.94 983302.31 308170.00 417387.34 374270.41 253715.55 379720.62 363020.19 477715.06 389979.84 342584.06 852814.25 610289.94 471407.19 1020928.25 1653247.00 1619403.38 1545731.62 1020271.69
Formylpyruvate
170925.00 117176.00 160516.00 73421.00 805318.00 1127253.00 745819.00 675478.00 1227220.00 794626.00 1253050.00 685501.00 2362683.00 1735702.00 1906706.00 2622606.00 2861690.00 3224311.00 3053668.00 2939969.00 3848964.00 3774517.00 3946263.00 3308072.00 1473713.38 1027761.06 1857948.00 1537264.50 2619139.50 2507068.50 3067338.75 2666623.75 2903932.25 1625692.00 2788522.25 2452260.25 288330.00 470926.34 314231.53 193101.62 410875.12 598059.44 771852.38 719915.88 581524.25 1307067.25 884658.19 658009.12 2272789.50 2819233.50 2875264.75 2957620.25 1814007.88
Fumarate
66010.00 51396.00 70737.00 50206.00 62779.00 89709.00 176152.00 136001.00 76461.00 91126.00 142225.00 115205.00 89974.00 81766.00 168070.00 124893.00 125098.00 140386.00 160497.00 169558.00 142741.00 152276.00 190399.00 164568.00 84161.15 63952.14 119291.62 119967.43 130951.59 115492.34 233625.78 166194.44 117646.09 92617.98 131080.39 141295.67 63107.00 57723.43 81018.66 67675.88 67079.05 53185.25 168276.06 89006.27 40004.09 95075.91 101901.95 150410.33 126254.08 150081.95 138525.09 141150.84 114339.22
Galipine
1144211.00 996477.00 1082002.00 770878.00 924655.00 1008422.00 851976.00 1132353.00 985576.00 870152.00 1012634.00 930426.00 804793.00 751581.00 859085.00 995772.00 1076908.00 764988.00 768016.00 921736.00 1090683.00 892077.00 952882.00 1006418.00 937820.56 855438.81 805836.44 998885.06 1066503.62 941385.94 958840.62 831082.06 978972.06 1095184.25 1092456.00 997706.06 1028415.00 1040843.88 983730.06 832710.56 1138719.75 1055104.75 988129.56 1185454.12 807681.00 986513.56 985145.75 1057650.38 4143224.25 1066070.50 981826.25 1018081.94 1126559.62
gamma-Glutamyl-gamma-aminobutyraldehyde
365505.00 141008.00 318302.00 87016.00 252870.00 523426.00 242072.00 231744.00 286848.00 273722.00 695780.00 201775.00 3296299.00 1244583.00 2869176.00 2492322.00 4980136.00 2879546.00 3819569.00 3111614.00 3574391.00 5785623.00 5727181.00 4011020.00 1783787.12 811213.50 2421276.25 1544722.00 1397027.50 805854.75 2743587.25 1841636.38 2481601.25 535873.06 1450873.00 2026435.88 117525.00 278684.56 233782.36 88509.27 105370.34 274277.28 343320.25 120258.96 67520.94 230511.08 325848.66 185528.19 9545013.00 16622606.00 15604615.00 15970938.00 1990206.12
Gamma-Glutamylglutamine
3257245.00 2635261.00 3057952.00 1656007.00 2698485.00 2921967.00 2331247.00 2876842.00 2709296.00 2865389.00 3170349.00 2850102.00 2185700.00 1989877.00 2490119.00 2538521.00 3330944.00 2485322.00 2263825.00 3070126.00 2681476.00 2527750.00 2927178.00 3464182.00 2912389.00 2529602.50 2538483.50 2766892.75 3446800.50 2707268.25 2639015.50 2451004.50 3243021.75 2797818.50 3016169.75 3327509.75 2941088.00 3220637.50 2770436.75 2329907.75 2908080.50 3018601.75 3032894.75 2711251.25 1970739.88 2875912.75 2939212.25 3130470.75 2925552.75 3336039.75 3168718.50 3302335.50 3058473.50
gamma-L-Glutamyl-D-alanine
9826494.00 5542336.00 4417395.00 1417743.00 1621136.00 3871507.00 375937.00 2125056.00 5331543.00 3625788.00 9550180.00 3483403.00 183001.00 398991.00 227607.00 609013.00 6383240.00 2588782.00 2062730.00 3287284.00 6167294.00 10503880.00 9033620.00 13732499.00 2563677.00 1443072.12 1024400.69 1984765.25 5744331.00 3061020.25 3141124.75 2109073.75 29838962.00 9963147.00 9403792.00 16965370.00 1185250.00 5455639.00 2242457.75 623204.44 2324161.75 4881892.00 2889474.00 2389832.00 1077385.62 3901039.25 6370309.50 2594326.75 33818156.00 67604080.00 63229628.00 61056324.00 6505551.00
gamma-L-Glutamyl-L-cysteine
611840.00 446430.00 440578.00 266543.00 369342.00 419331.00 307802.00 401729.00 617836.00 300779.00 355530.00 286067.00 263718.00 158130.00 170619.00 248379.00 277830.00 343259.00 299330.00 272880.00 204267.00 217669.00 220819.00 200640.00 171403.59 243096.22 213660.78 197294.95 194561.66 183715.66 273552.75 184287.55 347176.44 416632.03 263054.38 292967.44 243609.00 353715.97 197135.23 229032.84 268486.44 284990.69 264025.09 662073.31 314080.88 428466.09 423649.06 296143.53 1462528.38 316079.41 367901.38 354570.34 296188.09
GDP
32160.00 - 20752.00 - 28723.00 50617.00 - 53574.00 69511.00 22366.00 48879.00 20897.00 59788.00 87365.00 88340.00 82343.00 106608.00 137416.00 119945.00 122687.00 138706.00 70458.00 108568.00 113537.00 61325.68 74079.41 83152.38 79553.09 92215.68 92081.70 135329.50 103936.59 95071.01 70327.38 80071.02 67170.47 - 28922.50 19226.00 - - 52886.82 53256.73 47741.05 - 55959.95 44546.80 23106.85 132671.31 12725.50 13849.21 6505.97 46347.29
Gentisate aldehyde
16738389.00 20853488.00 17092270.00 15047241.00 19614258.00 19771422.00 18419600.00 19266742.00 19591420.00 20895684.00 19539602.00 20137632.00 19588192.00 19469980.00 19967722.00 20692174.00 17329408.00 18839086.00 17091152.00 19934384.00 17939820.00 21860702.00 18989600.00 19128100.00 19621038.00 19352750.00 20665476.00 18457660.00 17951042.00 19436672.00 18208248.00 20346964.00 19627670.00 19220604.00 19564116.00 20125218.00 19002790.00 19295798.00 19608144.00 19271084.00 19124628.00 19025148.00 18137172.00 18606004.00 12112510.00 19319862.00 19932030.00 19718384.00 21089540.00 26449680.00 25050796.00 25814400.00 21127536.00
Gentisin
971293.00 638141.00 695533.00 333399.00 859147.00 1203484.00 648077.00 843211.00 1097151.00 794459.00 1100633.00 797224.00 972807.00 1029044.00 1017056.00 1036000.00 1150878.00 1081294.00 1242957.00 1488715.00 1030010.00 953551.00 1296635.00 1380611.00 1226308.38 943588.50 1139830.50 1239195.88 1556915.12 1477507.62 1726850.25 1598884.75 1587094.38 1234284.12 1416549.50 1438755.38 616365.00 1026751.81 757197.00 389123.78 550590.94 701454.31 728302.81 784137.50 652915.12 977313.12 1007358.25 687407.69 1237699.50 658459.44 714272.06 689888.56 1110734.00
Gln-Phe-Pro-Pro
129146.00 61812.00 138396.00 41584.00 242422.00 422612.00 296838.00 236091.00 322029.00 219988.00 255803.00 138696.00 556101.00 638748.00 765040.00 551345.00 1194343.00 1199760.00 677997.00 858547.00 1306139.00 840199.00 949925.00 694349.00 572119.69 453984.53 630006.62 453921.34 543986.06 586591.50 696301.19 394417.00 569310.00 372272.25 432613.03 405487.50 154866.00 219666.75 165820.56 118270.30 132700.58 149092.69 177689.14 122435.42 134497.78 397682.84 316869.12 182440.62 394397.34 399830.00 593835.75 522189.44 493985.00
Gln-Pro-His-His
950390.00 1361331.00 1025775.00 2085374.00 1031060.00 901602.00 746125.00 918397.00 808322.00 803811.00 603085.00 738493.00 901203.00 1135315.00 637266.00 674859.00 368605.00 434773.00 535085.00 556488.00 408416.00 336311.00 318612.00 291960.00 957181.00 764398.56 600546.19 594149.25 466875.28 593139.31 536770.81 532747.31 491621.12 479978.91 477685.34 493926.97 1147571.00 945387.12 1153747.25 1662425.62 879608.94 925678.94 670083.56 1752514.00 566399.69 480142.84 727792.69 647933.19 501763.19 584442.19 579042.19 638213.69 680755.75
Glu-Ala-Phe
294627.00 1158180.00 585352.00 1829560.00 1261807.00 878958.00 1753864.00 964138.00 1626379.00 1783214.00 933901.00 1537782.00 17612972.00 10538350.00 17977682.00 15441708.00 2272805.00 8468923.00 17458976.00 6249569.00 5957713.00 9125655.00 3224736.00 1499946.00 7976158.50 10685227.00 16028193.00 11286175.00 3836546.50 8829089.00 6501328.50 10567696.00 1432702.88 1443640.12 1510351.88 1672187.88 1020074.00 631607.31 1303173.00 1348931.38 2874627.00 2687083.00 4090101.00 5936774.00 2639571.00 1192124.25 1248486.38 741712.69 - 3869776.25 3726791.00 4187496.50 4003536.00
Glu-Arg
- 42699.00 - 32884.00 67817.00 192386.00 53885.00 125834.00 143763.00 111828.00 116565.00 88701.00 218248.00 191062.00 193040.00 243434.00 270944.00 326908.00 281291.00 314487.00 205113.00 205195.00 245144.00 282638.00 195680.30 174037.81 235380.62 218439.97 259020.78 317742.91 222364.80 237024.08 224217.81 168400.09 187515.62 200430.53 - 113945.91 73464.93 - 48582.08 91741.77 119053.20 65284.77 42545.05 152928.14 124491.51 128391.35 288017.62 436599.91 430579.88 432858.12 195038.61
Glu-Glu
- 528946.00 26685.00 2198529.00 138888.00 57763.00 613025.00 70015.00 158644.00 345190.00 42889.00 357343.00 2927934.00 2191716.00 1518831.00 1375349.00 20482.00 545727.00 2525625.00 260834.00 103988.00 1383993.00 349068.00 124253.00 255756.12 630555.44 1410918.38 368347.16 27406.63 289555.75 396900.84 954644.50 77177.70 151582.28 98137.41 89062.95 82571.00 - 201783.98 773607.69 229141.88 83665.26 92235.16 754427.88 1508685.00 81657.74 499385.97 26838.24 721627.81 413708.31 432514.97 445507.69 356475.91
Glu-Glu-Ile
26885.00 2090859.00 108635.00 11378912.00 213424.00 104546.00 904161.00 101717.00 320095.00 697911.00 81447.00 710045.00 4719104.00 3832595.00 2518580.00 2333664.00 47058.00 1030864.00 4592083.00 428872.00 215624.00 3089627.00 600230.00 263486.00 347744.91 1247344.00 2830426.00 722063.94 53941.88 498847.59 709546.75 2167980.50 105254.30 325403.03 179771.66 236144.12 149594.00 25577.39 358400.34 1510922.50 400265.66 116313.33 135032.72 858085.50 2723418.25 133443.95 871539.06 57714.82 1555323.25 808805.44 779637.56 838916.62 582577.19
Glu-Ile-Ser
30442.00 22203.00 - 28428.00 35051.00 31632.00 28176.00 33301.00 30260.00 33834.00 39427.00 30689.00 87229.00 81535.00 136325.00 153888.00 184141.00 188535.00 176774.00 175633.00 203694.00 195565.00 131375.00 137266.00 90755.92 80385.89 145143.39 120510.12 94726.13 92532.71 158168.16 113858.70 95950.14 32115.80 106519.80 89951.94 30042.00 24733.36 57561.09 27587.04 - 55778.78 40595.55 61616.34 - 90124.46 63790.77 80086.88 100164.81 69322.91 81328.20 72186.73 97218.04
Glu-Ile-Thr
29583.00 22543.00 26343.00 21072.00 31943.00 64722.00 37138.00 25643.00 22742.00 25561.00 45102.00 26823.00 74543.00 71596.00 99027.00 102629.00 126759.00 140098.00 129093.00 119300.00 95473.00 57800.00 85053.00 87612.00 89577.64 56281.08 100528.07 88416.30 99770.55 80685.47 114481.48 125479.26 57773.01 27442.60 59616.43 55149.40 27412.00 48010.12 20722.50 17378.16 18639.18 23148.34 51817.82 59822.04 25399.25 39382.61 26910.12 27234.51 24984.95 23648.39 11089.57 18774.19 47626.09
Glu-Ile-Val
- - - - - - - - 36001.00 - - - 34111.00 - - 81720.00 138823.00 92108.00 92986.00 36828.00 49840.00 74897.00 88468.00 87550.00 75141.85 77530.35 78196.73 79251.26 89212.08 38813.03 124553.77 68197.38 97671.31 - 72732.77 60214.47 - - - - - - 21434.15 - - - 24177.91 - 136615.70 94818.76 28428.89 86801.51 87184.38
Glu-Pro
- - - - 14113.00 22020.00 17364.00 16738.00 28057.00 16309.00 24714.00 14255.00 44286.00 48970.00 26268.00 44677.00 79191.00 99276.00 61389.00 67435.00 149708.00 72508.00 118988.00 87085.00 35184.05 26380.01 38935.04 40354.18 48454.86 56005.73 77457.99 53282.14 52681.02 40484.11 50254.28 70008.71 5657.00 11430.79 5993.19 6010.30 5450.85 3585.86 6185.99 5332.14 11789.92 25025.80 23332.73 16293.92 63387.34 69281.34 67629.93 74438.41 56722.01
Glu-Pro-Ser
237548.00 186143.00 178172.00 156453.00 253614.00 402164.00 207549.00 274821.00 271463.00 268154.00 313039.00 195533.00 499636.00 439995.00 538293.00 535422.00 753219.00 690024.00 920610.00 737637.00 778162.00 696995.00 747554.00 694914.00 522316.97 386755.16 494199.50 628407.12 684359.94 589343.81 703534.81 641315.25 643181.56 429679.78 570853.75 547642.75 207980.00 341764.53 231911.47 118081.03 172576.25 237293.89 289788.06 487918.28 249863.11 413226.69 296387.09 233894.38 396233.69 618056.81 681025.31 609491.44 522772.72
Glu-Pro-Val
696883.00 527290.00 427137.00 237647.00 398777.00 602077.00 326247.00 467827.00 692468.00 421519.00 632551.00 398972.00 762420.00 661690.00 899681.00 946255.00 967911.00 812003.00 869341.00 1070477.00 736264.00 678565.00 970428.00 1012713.00 958813.38 701732.19 651439.69 926708.38 674216.38 611728.06 899279.50 828250.44 949475.38 694845.06 631738.12 822898.69 314346.00 694851.62 444464.09 279985.56 348231.62 496540.59 565754.06 683339.12 261954.66 359513.41 589684.31 258920.34 855865.75 2279734.75 2266899.50 2186083.75 715737.31
Glu-Ser-Trp
45420.00 49253.00 48882.00 28359.00 98688.00 122247.00 106279.00 101071.00 100864.00 83216.00 95821.00 64314.00 171396.00 176552.00 191965.00 192628.00 240492.00 257116.00 186145.00 202430.00 230772.00 209077.00 205303.00 176062.00 184863.52 144815.14 171267.45 147206.47 174140.02 217532.91 219706.66 174604.06 175731.64 138044.47 156765.83 160510.06 64939.00 75835.73 78678.03 53488.78 66495.20 73807.80 98087.45 78864.17 51077.10 116647.84 90236.59 73417.11 148319.62 178801.02 186326.20 181180.16 139924.81
Glutathione disulfide
51887.00 196691.00 134173.00 388708.00 1972033.00 1991425.00 1158501.00 1092281.00 1191575.00 2387483.00 2381884.00 2790591.00 608776.00 2071307.00 911909.00 940723.00 1229099.00 1437591.00 939794.00 1086862.00 593161.00 934162.00 2130994.00 1942728.00 3068238.25 1377901.25 1094426.25 715327.31 450974.94 1281936.12 1063734.38 1100203.25 2069233.88 2137844.50 1920926.88 1898305.62 1060269.00 547014.50 934570.19 956975.00 1375606.25 1575554.12 747002.06 1027650.56 1345630.62 1626268.00 2923355.50 1992687.62 1105252.50 1799655.88 1718338.88 1745039.88 1531208.88
Glu-Thr
2450838.00 1424044.00 1445071.00 1254382.00 2455511.00 4159898.00 1770883.00 2724325.00 3345348.00 2200087.00 3352742.00 1840048.00 5467402.00 4289659.00 5110532.00 5880804.00 9621778.00 7473768.00 10079542.00 9381926.00 7599462.00 7697448.00 8955778.00 8900906.00 5230866.00 4100321.75 6188566.00 6007370.00 7248256.00 6035541.50 8877172.00 7631359.00 8370091.00 4909834.00 5909749.00 6907401.50 1482889.00 2726874.25 1679561.62 1079728.62 1637694.62 2225192.00 2820207.00 4042511.00 2401822.00 3718685.50 2864442.75 2243779.75 17503274.00 8043584.50 7539364.00 7797330.50 6204230.00
Glycerol 1-propanoate
21377.00 15617.00 24053.00 6525.00 22124.00 30319.00 21097.00 20176.00 26047.00 18738.00 24084.00 15489.00 61184.00 71349.00 66628.00 67858.00 93146.00 112836.00 85819.00 73684.00 97788.00 84421.00 77494.00 59112.00 68380.09 49156.50 63074.48 55913.51 73868.03 67055.88 95197.08 65299.89 58624.94 35367.63 43232.28 48176.25 12442.00 20158.55 13719.05 6647.63 18838.88 26620.34 33458.48 30416.80 16096.26 28201.53 20320.30 16429.13 56976.52 108976.09 117642.61 119148.76 53390.86
Glycerone phosphate
67881.00 44731.00 57382.00 25590.00 178788.00 233952.00 188078.00 166029.00 177388.00 125424.00 179672.00 91903.00 463970.00 407662.00 604050.00 537566.00 768810.00 754176.00 586969.00 623556.00 762732.00 606890.00 723952.00 512295.00 507988.84 352471.84 651755.69 503832.97 589387.44 598285.69 759102.38 575859.56 430341.22 235769.45 409456.47 382716.97 77324.00 108758.88 106450.61 67065.53 164930.44 199555.27 300927.75 257904.11 101076.02 275139.94 186429.83 151196.34 434359.78 876659.50 844899.19 852037.75 382736.53
Glycerophosphoglycerol
175503.00 101001.00 119257.00 80424.00 - 82351.00 - - - - - - 100300.00 - 50334.00 86758.00 132095.00 - - 88406.00 - 98188.00 149042.00 175730.00 129939.86 113313.83 91845.77 124668.67 134726.34 - 83265.79 72083.88 157312.08 83301.73 79696.59 105068.61 - 105989.76 - - 96068.77 167184.16 151121.98 201143.81 - 89893.72 - 63101.26 126150.59 109920.48 132302.95 129490.38 105943.52
Glycyl-leucine
37977.00 27123.00 27511.00 24221.00 - 71971.00 - 19036.00 29827.00 22498.00 21211.00 16792.00 23458.00 27981.00 53717.00 - 26819.00 87681.00 - 26303.00 - 18734.00 46218.00 22886.00 16330.88 18701.94 20995.01 20258.88 21855.60 27310.35 23853.03 30434.83 22858.25 80163.73 22345.08 19863.24 19331.00 24499.54 17447.83 25501.68 72967.27 24411.70 30888.98 36685.65 - 26185.00 55612.95 30428.33 191183.30 48456.05 68186.45 70416.80 64555.22
Glycylproline
58980.00 43177.00 62318.00 16225.00 332424.00 518267.00 318623.00 408033.00 621016.00 298114.00 474015.00 237385.00 220975.00 257185.00 172172.00 240817.00 502524.00 671432.00 453541.00 468458.00 1651332.00 974055.00 1627298.00 1109342.00 240351.78 175771.52 275248.38 306407.84 665711.69 557596.50 885395.75 523188.75 1069484.38 760356.19 1075500.25 1627122.38 118709.00 206468.67 125652.95 77220.05 48260.18 49676.82 72084.12 62201.02 152888.30 530207.94 455462.97 288562.22 800776.12 1971706.38 2076877.00 1911742.12 746523.19
GMP
76150.00 100547.00 69005.00 106677.00 95437.00 118143.00 215235.00 119774.00 112170.00 131819.00 70341.00 128502.00 488376.00 352024.00 377796.00 408286.00 90484.00 179419.00 491776.00 188717.00 95848.00 294278.00 157298.00 113259.00 198331.09 226809.77 463961.56 244151.28 80066.94 139562.86 205959.88 343791.44 75658.08 108269.16 83488.27 119444.23 102467.00 66679.05 155008.25 254524.92 136379.91 80104.63 108785.34 381146.38 205961.47 59312.25 168131.39 53604.99 305912.72 172098.20 186884.22 157898.98 164585.53
GTP
114690.00 281499.00 151694.00 461160.00 245163.00 177743.00 348262.00 205909.00 242667.00 429507.00 165563.00 253760.00 237004.00 419383.00 286105.00 241918.00 127522.00 291988.00 378416.00 193690.00 207051.00 301227.00 209337.00 165253.00 593263.19 265554.53 296032.38 229534.50 136531.58 258530.88 254201.27 300797.62 147953.70 185136.56 180110.94 162705.67 538890.00 148798.89 270928.91 416290.62 220868.06 167974.86 467942.62 1155657.12 671062.00 225685.09 245006.31 165344.20 420885.53 200757.48 209437.39 229759.98 256226.64
H2S2O3
124977.00 131937.00 136231.00 122356.00 124503.00 141478.00 145058.00 150468.00 104625.00 137417.00 139553.00 122464.00 168606.00 211470.00 154065.00 134584.00 159917.00 206526.00 142524.00 156901.00 263109.00 129613.00 156978.00 136575.00 122055.10 133178.73 151662.83 171960.33 129810.74 154658.39 150428.17 132712.58 128930.48 144761.02 138824.34 138121.00 125471.00 131497.48 130868.72 143635.94 120482.26 127957.80 143675.41 132907.47 117460.62 147516.45 157447.80 134597.11 224382.30 260974.62 256939.03 268458.34 221191.61
Harman
317989.00 301168.00 503003.00 153372.00 265059.00 417078.00 380850.00 293692.00 403185.00 249163.00 476160.00 191516.00 2339931.00 1611008.00 2385576.00 2548895.00 2311563.00 3108248.00 3560631.00 2374904.00 2711425.00 2177049.00 2903040.00 1900139.00 1420090.75 1060477.00 2053691.25 1484865.12 1035725.44 870863.12 1672666.00 1337146.62 926239.06 451451.16 835484.75 902857.62 203952.00 270627.06 308920.09 168215.78 359037.84 539261.62 736897.06 706397.44 216342.03 459582.84 434178.97 216095.09 1310985.38 1757982.50 1722488.00 1782947.88 1217778.25
Hexanoic acid
- 169234.00 - 491981.00 341898.00 190699.00 884785.00 202717.00 311190.00 521195.00 108172.00 539128.00 1697478.00 1399694.00 853247.00 831804.00 48268.00 655222.00 2656411.00 316469.00 177902.00 1072050.00 285402.00 138821.00 289889.28 513414.56 1060447.50 295326.75 47511.80 305087.72 459126.81 799181.56 105290.44 194248.89 90285.50 101650.13 239903.00 57793.30 410589.38 1423247.50 180407.70 89359.88 119578.80 436868.38 1425465.00 110031.87 431372.72 55778.49 653163.69 294742.03 356648.75 326453.31 360851.38
Hexose phosphate
86682.00 44785.00 49985.00 22154.00 41969.00 67881.00 41204.00 50882.00 53331.00 35402.00 57686.00 32332.00 87907.00 71643.00 110121.00 112153.00 140602.00 95827.00 108087.00 138381.00 99535.00 88988.00 117214.00 122057.00 121235.02 92474.77 126563.16 145956.95 100025.99 80406.65 107628.76 85169.16 86810.88 48880.52 54021.07 76216.88 31149.00 65249.67 44349.56 26738.51 42988.94 49544.67 54845.12 62693.85 21851.00 42166.21 43743.57 26991.90 89073.05 94713.69 86729.08 89324.31 73464.95
His-Leu
- 222843.00 58956.00 - 54512.00 66540.00 106322.00 64143.00 59938.00 86574.00 52117.00 63146.00 439308.00 329772.00 524574.00 563180.00 45778.00 267824.00 585445.00 252924.00 103825.00 361907.00 234361.00 126177.00 207942.23 345764.34 585548.00 322077.59 23123.98 190568.44 250351.06 360678.75 27854.01 85497.42 96344.92 95549.82 81002.00 - 136674.77 - 124413.77 87243.55 94307.12 159270.11 - 35469.90 154333.58 - 205275.44 179818.70 178797.41 259425.36 188714.16
homocapsaicin
53368.00 611941.00 100831.00 4950209.00 977560.00 636152.00 2612413.00 846088.00 780480.00 979950.00 776737.00 5504050.00 1912473.00 7076172.00 5994398.00 2170018.00 248793.00 664214.00 3801532.00 884007.00 142885.00 1087596.00 1162100.00 1013777.00 491948.09 1629437.00 2279007.25 951338.00 158065.02 729475.44 1207987.12 1780559.25 1036489.00 1140152.00 597776.12 577591.94 174822.00 114519.95 482216.69 4484409.50 1291716.12 456273.75 187805.39 4427215.00 9006563.00 647832.69 3790676.00 637917.94 2731202.75 1100176.12 1190470.75 1210692.12 1362109.25
Homogentisate
117016.00 883362.00 190297.00 2495931.00 496624.00 465205.00 1185850.00 294466.00 335813.00 547998.00 152256.00 770798.00 862712.00 742620.00 852499.00 713295.00 99406.00 697115.00 1842704.00 354139.00 195173.00 680527.00 281663.00 138977.00 305027.94 664893.31 749560.94 423863.19 170660.62 341013.38 749861.62 608549.50 281095.12 357612.97 154162.25 205212.97 264248.00 136510.75 543455.00 1758425.25 494187.31 235791.33 192689.94 3095769.50 2011810.25 222009.95 447049.69 208689.78 1946696.50 441784.81 509733.28 468757.62 541878.94
Hydroxypyruvate
330311.00 18246504.00 1913863.00 87384288.00 21373548.00 11197930.00 81283848.00 12415284.00 26732032.00 46432288.00 7291567.00 54486092.00 132259064.00 116540856.00 68984544.00 67451392.00 2423605.00 42253628.00 207145616.00 18595288.00 8862894.00 85755632.00 22987264.00 12431647.00 22054306.00 44571460.00 99555200.00 26616284.00 5428320.00 36033644.00 45344908.00 98409768.00 11938013.00 21074340.00 10221921.00 14695483.00 13573780.00 3234322.00 30129330.00 114769736.00 14311159.00 5721307.00 6878799.00 40028332.00 185773536.00 11898466.00 50315636.00 5182179.00 52084492.00 34565716.00 34573028.00 34756276.00 32038956.00
Hymenoflorin
111574.00 5272364.00 692413.00 21073924.00 11389865.00 6059918.00 34920928.00 6765808.00 14684183.00 23803684.00 4813719.00 27828194.00 20573182.00 16584062.00 11633640.00 11045289.00 747886.00 11093153.00 43610748.00 5091268.00 3870825.00 28536704.00 9787990.00 4923602.00 3686567.25 6992834.50 14698719.00 4560769.00 1400675.50 8121624.00 10504210.00 18797656.00 3906053.25 7017431.50 4107276.00 4844674.00 5531430.00 1321394.50 12263066.00 35885968.00 3372025.50 1633646.12 1703488.00 7724763.00 34162604.00 3044177.75 13719698.00 1943157.88 13726952.00 9197175.00 8826249.00 9162461.00 8616849.00
Hypoxanthine
886214.00 557582.00 656364.00 298285.00 1024669.00 1121668.00 789519.00 853002.00 1208228.00 810280.00 1341440.00 806480.00 1504381.00 1156613.00 1897863.00 2382116.00 3019537.00 2792791.00 2084916.00 3696068.00 2674146.00 2654834.00 3328042.00 3179637.00 1843977.00 1525218.62 2340666.50 2235511.75 2439890.25 1940041.88 3402626.00 2996983.75 2609798.75 1672047.00 2376151.00 2523241.75 522445.00 950026.88 689845.75 364093.31 523217.34 854965.81 1085080.75 1207465.38 515897.16 1482074.25 1264245.12 826973.25 5744533.00 3219257.75 3488722.25 3503520.00 2188450.00
IAA-94
25022.00 55631.00 26927.00 - 171671.00 158575.00 105547.00 140545.00 165059.00 124524.00 100641.00 141120.00 146651.00 183957.00 140751.00 249555.00 137140.00 255108.00 383642.00 211638.00 74503.00 193608.00 129901.00 115483.00 39145.36 185978.72 105688.05 100054.35 89656.04 221051.69 218040.19 235546.00 118564.80 175641.17 156941.22 123620.19 38131.00 80263.24 114161.62 204383.08 76915.78 83686.24 28406.45 - 100851.09 124110.64 165464.36 138723.16 171326.95 128517.95 125322.07 135855.09 121676.06
Ile-Ala
174603.00 62044.00 130732.00 196132.00 170952.00 488836.00 350517.00 308630.00 169921.00 161307.00 312823.00 163488.00 1066422.00 930297.00 944125.00 1064624.00 1383840.00 745023.00 1528380.00 1278033.00 987715.00 818362.00 803602.00 860557.00 793362.50 466648.72 1083146.00 1082299.88 842164.75 646667.19 945862.69 706306.50 620782.94 303794.56 650204.38 578812.25 131397.00 185713.95 205439.39 210177.23 150805.67 220256.52 470327.69 687548.06 139166.62 305369.66 211750.62 247201.48 2553442.50 749497.94 767685.69 847992.94 886714.69
Ile-Ala-Ile
- - - - - - - - - - - - 136575.00 159639.00 180707.00 103452.00 162334.00 103376.00 56006.00 106333.00 - 83712.00 93060.00 83571.00 200882.59 125458.27 114220.97 104021.98 94638.03 88487.84 88535.55 103755.96 21448.08 - - 23982.35 - - - - 63921.98 25254.22 75096.37 - - - - - 108877.24 173165.45 171560.33 150797.59 72223.87
Ile-Ala-Thr
60142.00 30184.00 57156.00 24647.00 35972.00 89821.00 81293.00 62469.00 68030.00 39145.00 33096.00 33050.00 110174.00 117081.00 63432.00 50942.00 149680.00 175222.00 62773.00 95484.00 108963.00 56974.00 94140.00 94075.00 122008.94 66982.62 77868.79 93576.84 104009.23 101530.76 108692.74 45029.84 56503.66 58264.08 41233.02 95449.05 41645.00 59883.33 39263.24 65065.20 43153.16 37569.13 45854.11 38863.88 28012.81 72208.00 58440.37 38999.95 96539.66 106316.61 105783.41 121972.86 112129.06
Ile-Gly-Met
35701.00 85904.00 - - 151704.00 124982.00 119769.00 89282.00 91579.00 80807.00 87607.00 68228.00 136130.00 100033.00 135146.00 132895.00 202862.00 222321.00 137201.00 173220.00 137884.00 211333.00 133850.00 86461.00 170014.28 122008.53 176131.70 136903.53 132914.00 135296.52 108257.84 168720.97 120558.41 108546.48 121206.94 103629.10 96764.00 - 79214.30 61408.70 - 66046.94 69470.72 62575.60 - 134788.17 97999.56 32546.38 - 111986.59 157185.72 89555.66 99434.34
Ile-Gly-Val
301198.00 234864.00 298778.00 108468.00 350200.00 495177.00 255119.00 322812.00 584160.00 365688.00 472590.00 280084.00 898814.00 679927.00 821848.00 859342.00 1152796.00 1373570.00 1559202.00 1108964.00 1319144.00 1436273.00 1614166.00 1195345.00 674973.00 428679.50 694740.62 526626.12 829780.06 725276.50 1346438.38 1134663.12 983099.88 640735.12 834639.31 896714.12 135097.00 237896.89 178391.20 110447.68 167288.59 239202.05 281739.72 284074.19 267228.66 679904.88 534527.62 372334.78 882582.06 1561296.62 1500064.38 1523585.88 711617.94
Ile-Lys
- 19819.00 - - - 25319.00 - 21417.00 - - 17418.00 14780.00 77087.00 - - 24991.00 - 34369.00 132868.00 41360.00 - 28719.00 54944.00 94359.00 - - 18372.29 39169.04 24132.98 26499.68 91921.95 40273.65 85842.54 23943.03 32839.82 56196.35 - - 17782.88 - - 46803.88 - 148501.03 - - 48123.31 - 73279.92 68930.86 103238.94 90334.38 30355.79
Ile-Met-Ser
25629.00 343232.00 64445.00 2055941.00 140153.00 126569.00 373082.00 154879.00 183761.00 168765.00 66132.00 383803.00 1262075.00 1036126.00 885432.00 975747.00 42867.00 208622.00 1117564.00 266463.00 83844.00 473752.00 98827.00 157605.00 98940.68 700447.56 856839.31 451423.00 96171.73 260006.12 367400.19 543726.06 185060.47 173645.75 104755.52 129375.20 39662.00 42994.41 104748.08 449160.25 597075.06 185541.80 60423.04 2210701.75 2580324.50 298070.09 809448.44 132256.97 705113.06 322152.62 360657.97 361220.34 390108.66
Ile-Pro-Pro
365505.00 141008.00 318302.00 87016.00 252870.00 523426.00 230790.00 231744.00 286848.00 259556.00 695780.00 201775.00 3296299.00 1265135.00 3013060.00 2641822.00 4980136.00 2879546.00 3819569.00 3111614.00 3574391.00 5785623.00 5727181.00 3851578.00 1524565.62 748597.06 2594900.00 1464296.62 1308306.00 776028.50 2728306.50 1841636.38 2481601.25 535873.06 1450873.00 2026435.88 117525.00 174893.28 174336.86 106124.20 105370.34 274277.28 343320.25 120258.96 61820.23 230511.08 325848.66 185528.19 9545013.00 16870972.00 17607056.00 16233365.00 1990206.12
Ile-Ser-Val
11748.00 13465.00 13457.00 13750.00 12156.00 16521.00 24785.00 14602.00 24259.00 14025.00 11857.00 12758.00 39108.00 84563.00 13940.00 20541.00 23123.00 78720.00 17417.00 22551.00 119553.00 23521.00 56107.00 25813.00 29080.09 17028.71 24466.23 24039.19 71479.20 34146.85 29929.51 10368.88 16821.95 13609.69 10767.14 36457.87 12270.00 16440.84 13882.02 15782.89 13440.82 12552.07 14235.26 12761.34 11881.95 20740.08 14282.83 12264.52 90637.35 242532.31 261891.50 243327.03 75937.54
Ile-Tyr
110996.00 109152.00 111473.00 118874.00 71440.00 102064.00 80395.00 102245.00 110792.00 82587.00 105933.00 85949.00 72166.00 87677.00 74174.00 92869.00 111696.00 107677.00 85171.00 83504.00 82535.00 103432.00 130473.00 89154.00 137187.62 81691.47 101678.33 109385.43 94561.42 129445.45 152396.67 131725.27 119803.87 143935.92 102530.49 95788.94 64499.00 75354.66 82738.09 68874.70 66269.50 73077.73 68407.42 139517.41 104703.45 102958.08 289622.59 106257.25 1264595.25 1073409.50 975890.94 974799.00 1035971.69
Ile-Val
- 6875.00 - - 10086.00 9287.00 11837.00 9584.00 12799.00 9773.00 11143.00 9095.00 22452.00 13603.00 12102.00 19103.00 22005.00 20566.00 22520.00 18567.00 16059.00 38334.00 20805.00 30905.00 11332.77 11909.35 18959.08 13538.90 15814.32 20893.08 19008.35 20724.65 17863.20 11213.46 16239.33 17376.37 - 9346.94 7885.42 - 6795.54 7273.57 - 9974.50 - 11520.81 8733.74 10310.64 68497.49 108693.52 106839.38 96913.77 12936.30
Ile-Val-Pro-Ser
203227.00 194653.00 179440.00 149356.00 221219.00 216662.00 177285.00 206361.00 210075.00 217096.00 202110.00 192645.00 220025.00 196591.00 188107.00 192599.00 219057.00 227959.00 161371.00 212694.00 171295.00 204894.00 196984.00 230058.00 224487.70 226109.44 186467.12 212244.03 214848.05 214081.86 195479.19 199642.64 231002.92 223123.02 209831.47 217553.19 199996.00 206797.48 219100.25 172166.69 240253.25 246454.83 229724.19 236765.55 167925.41 213171.98 218142.36 187584.94 352711.69 695678.94 773767.62 706909.81 223308.12
Imidazol-4-ylacetate
178492.00 28679.00 - - 107515.00 207128.00 121604.00 131353.00 179737.00 108872.00 240046.00 100780.00 272839.00 177442.00 234697.00 352168.00 315745.00 190164.00 309735.00 339709.00 226885.00 111973.00 270298.00 295066.00 395573.16 194718.16 337766.84 348177.44 213256.95 133655.95 263702.34 150009.53 242383.98 142364.25 93637.48 249653.91 155709.00 258519.12 149709.64 103790.45 - 91729.83 139056.52 79655.86 - 81290.70 68939.03 - 382362.09 260710.48 205020.42 183401.91 168398.25
IMP
15969.00 9544.00 11528.00 - 40134.00 90463.00 42819.00 50633.00 52370.00 49880.00 92202.00 41431.00 126022.00 87969.00 107714.00 107809.00 379542.00 217324.00 246532.00 258032.00 555149.00 570719.00 803201.00 775829.00 142598.89 63732.12 103678.82 93055.27 297933.22 261735.33 234728.77 217764.16 418445.06 108035.88 324900.88 299032.72 14247.00 58094.96 32171.17 31783.15 26219.38 48711.57 41781.48 27091.89 38004.46 56545.00 74307.44 49752.86 1066673.00 1647405.50 1576447.12 1609575.12 195833.23
indole-3-acetyl-valine
23358.00 143515.00 33835.00 543890.00 240515.00 195174.00 401981.00 184941.00 213130.00 288238.00 270448.00 759050.00 459359.00 600860.00 488915.00 396781.00 131258.00 265159.00 644572.00 217482.00 90067.00 349203.00 372957.00 351238.00 139935.31 337749.16 616030.25 250121.28 109859.41 264283.69 312714.78 409092.34 326711.97 482756.16 302831.47 330671.38 38350.00 60021.03 93113.77 313449.00 284595.16 155135.11 32519.38 520396.06 1120004.25 254436.16 791588.06 341863.84 428332.97 209109.38 237582.25 214012.70 283737.28
Indoleacrylicacid
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
Indolelactate
26925.00 15277.00 14312.00 - 22828.00 51439.00 24866.00 33964.00 41552.00 23389.00 40783.00 19190.00 72966.00 72624.00 85277.00 85459.00 86974.00 109035.00 84758.00 89839.00 68954.00 72509.00 69018.00 76872.00 73794.78 60355.11 79512.33 86204.35 82291.59 79784.98 108426.30 79452.38 63465.77 44745.00 59354.38 44710.62 - 35105.23 21320.56 - 18496.01 27950.88 45843.63 26162.85 - 52913.04 35316.27 - 154832.48 297858.94 295613.22 309659.78 65689.67
Indolepyruvate
147014.00 59783.00 85591.00 24742.00 115204.00 127655.00 98461.00 144308.00 139654.00 94116.00 138629.00 74526.00 221498.00 208229.00 219035.00 225956.00 299048.00 344330.00 315535.00 302397.00 249456.00 297630.00 280053.00 268434.00 245063.70 162627.17 225058.48 163341.41 258735.22 250215.02 325359.72 258537.27 208626.86 177335.48 205406.47 217730.98 42261.00 98833.00 81944.88 33284.05 85838.27 87270.52 111568.05 127204.33 107719.81 157227.75 121429.60 81178.31 218639.80 196207.72 178101.17 189931.25 186454.58
Inosine
2558952.00 1563845.00 1453797.00 1235481.00 765372.00 730292.00 361660.00 629863.00 684468.00 433319.00 766848.00 505203.00 1219833.00 968456.00 930977.00 1090812.00 897178.00 620010.00 1251547.00 886274.00 716382.00 633949.00 1016982.00 996414.00 1190504.25 978879.12 1266683.38 1415169.62 829081.88 754849.31 771756.00 864532.00 1028288.44 696198.94 646750.75 760411.44 461143.00 1067232.12 717201.69 632876.94 534613.25 838813.81 929782.81 1493215.50 611995.62 356552.06 462549.53 270789.09 2590310.00 900341.50 870451.62 866229.50 754310.25
Jubanine B
872924.00 717496.00 1018187.00 565293.00 1795000.00 2560838.00 1437078.00 1700290.00 1979625.00 1677533.00 2062515.00 1388597.00 5210058.00 4053226.00 4179672.00 4557488.00 4709174.00 4577882.00 5174044.00 4347838.00 4004161.00 5499750.00 4721923.00 3687053.00 3906829.00 2717531.00 4411420.00 3120319.25 3641549.00 3188879.50 4116590.00 3973007.75 5161358.50 2563600.75 3597532.25 3169600.25 1401760.00 1996057.12 1857681.38 1363550.88 910062.38 1584452.88 1825371.50 2520650.50 1051597.88 2114372.00 1640325.25 1191119.62 7260600.00 7769312.00 7789667.00 9056561.00 3610705.75
L-2-Aminoadipate 6-semialdehyde
- 386382.00 84015.00 1111823.00 419046.00 233733.00 558799.00 288324.00 383425.00 286832.00 180396.00 520452.00 895348.00 1151631.00 974517.00 970181.00 101139.00 419456.00 1047673.00 412956.00 106433.00 488850.00 276367.00 271845.00 136322.64 746448.81 809329.56 421367.44 130447.52 425889.16 504340.84 731193.62 248363.30 309718.62 206107.25 198990.00 85401.00 84996.91 245062.89 908513.75 476971.03 248683.42 89993.12 1247623.62 1057343.25 269081.12 756923.69 151616.94 473267.28 286900.16 252160.02 279748.66 276852.12
Lactose
114064.00 91154.00 117537.00 89693.00 98206.00 156588.00 166018.00 119314.00 118094.00 116324.00 103152.00 101485.00 149838.00 148111.00 136734.00 109326.00 153256.00 164132.00 121452.00 132555.00 155183.00 122637.00 148713.00 154718.00 150315.91 133156.22 140945.69 120713.15 154934.55 147065.66 145384.77 108175.42 132947.72 116214.13 103843.23 167668.73 105175.00 124682.06 98269.34 124125.97 108749.53 99463.61 103615.48 105121.85 100517.46 127319.43 144883.69 100965.62 119615.05 135751.09 135468.80 136996.47 134946.48
L-Alanine
- - - - 33939.00 43366.00 19363.00 16175.00 29663.00 15127.00 49494.00 21692.00 83686.00 51668.00 56395.00 53952.00 159554.00 91242.00 94768.00 114434.00 92057.00 157727.00 120651.00 116798.00 71835.85 47280.12 53526.28 63065.02 104034.44 75224.41 115457.46 77745.47 170321.20 63438.89 75847.09 120716.98 12391.00 30339.24 13897.21 - 13478.45 30258.23 26329.88 14744.16 14359.60 40864.51 42104.89 20254.73 354630.69 655058.38 613850.00 655804.56 74338.59
L-Arginine
11857.00 11181.00 14963.00 - 15939.00 39887.00 15096.00 15715.00 31129.00 24566.00 29305.00 24940.00 39833.00 40727.00 49689.00 45752.00 60665.00 59208.00 60107.00 52469.00 56676.00 75995.00 61708.00 65406.00 38444.15 34163.68 33932.09 22873.30 50908.02 51055.00 64052.47 53441.20 56198.98 51308.73 40005.64 57018.51 13479.00 15437.39 12958.58 - 24149.32 27965.30 34562.39 34169.71 14931.83 45692.18 31695.43 33232.24 61069.70 132753.34 120864.67 125916.68 43467.90
L-Aspartate
- - - - - - - - - - - - 831586.00 416075.00 682359.00 723121.00 78616.00 278959.00 670737.00 327772.00 187042.00 456739.00 173262.00 84089.00 345558.53 439497.03 744009.75 538085.62 152425.78 303253.88 274077.94 455629.44 30585.93 - - 79777.11 - - 61735.68 50958.81 119662.66 179883.47 256338.25 274607.81 - 33123.00 56507.77 - 407425.16 546146.19 628799.00 585763.31 282036.19
L-beta-aspartyl-L-leucine
492039.00 261931.00 557573.00 216678.00 159053.00 211116.00 171094.00 148629.00 205522.00 117533.00 172672.00 80914.00 520649.00 399839.00 939870.00 690400.00 821593.00 1127123.00 1424547.00 986859.00 973395.00 637005.00 1097273.00 822868.00 606394.62 371701.72 659071.75 651656.81 725570.75 626103.44 1261276.12 993441.19 408959.41 243053.34 388985.56 652770.38 40613.00 55985.23 51597.99 31208.24 194361.66 221020.20 381799.69 215991.59 140518.61 451931.47 262492.38 165563.78 626720.19 811836.69 844983.75 874015.62 574870.06
L-beta-aspartyl-L-threonine
213627.00 161399.00 193032.00 99255.00 181957.00 245414.00 141954.00 197952.00 211679.00 268455.00 349022.00 185301.00 95533.00 143431.00 154866.00 126219.00 176596.00 234954.00 219582.00 286355.00 322535.00 348355.00 382910.00 387591.00 143123.59 180163.64 162604.08 153761.44 305986.31 293421.34 385373.53 244132.77 427593.81 614384.50 592611.88 421058.78 105700.00 175256.42 133583.91 110421.76 85494.38 157941.05 177975.95 149927.77 139036.30 427146.38 379160.91 378580.34 148530.75 296146.97 327511.28 283232.16 233644.77
L-Cladinose
57823.00 140543.00 78691.00 - 100838.00 62706.00 - 27506.00 57853.00 49699.00 50073.00 68479.00 261313.00 264876.00 320730.00 199247.00 74330.00 127403.00 132457.00 88296.00 68073.00 80532.00 90523.00 76539.00 133812.25 204123.47 126378.59 137075.28 62252.38 104944.04 62649.63 73356.16 84206.73 100644.07 81516.60 90647.25 34463.00 41081.62 69374.74 - 161655.95 97281.70 66474.77 174798.84 217954.52 117643.09 182358.91 100199.27 179000.83 97116.88 130478.11 63186.79 69395.80
L-Erythrulose
198072.00 482691.00 184945.00 162997.00 69025.00 321154.00 509880.00 69612.00 489693.00 1108120.00 133557.00 323222.00 313059.00 181571.00 565654.00 220306.00 172422.00 656893.00 256342.00 65585.00 91078.00 299120.00 166154.00 241235.00 270548.91 177515.39 167872.11 216175.95 337983.28 163301.48 177373.33 499908.47 111086.84 210137.59 140206.98 399052.78 501171.00 231835.80 149922.91 360008.03 228586.94 324546.19 133917.39 548457.12 305244.06 251870.44 107876.36 295481.16 465305.16 485297.28 457854.41 480607.19 304109.34
Leucyl-Hydroxyproline
80276.00 57610.00 68308.00 19637.00 84587.00 147390.00 33767.00 122161.00 107920.00 77664.00 95194.00 55090.00 123011.00 85551.00 153471.00 151651.00 286462.00 259920.00 242860.00 196507.00 286317.00 160543.00 203801.00 194051.00 184977.02 149780.92 136509.00 157272.67 218160.66 215868.83 238956.88 163519.70 207453.19 140295.59 106463.07 138302.94 65948.00 106185.45 47463.99 - 82700.42 84907.88 103703.54 140218.94 83562.98 164393.92 94528.88 91790.80 142037.70 - - - 114923.45
Leucyl-leucine
63595.00 84061.00 35134.00 24801.00 582423.00 730318.00 387929.00 434165.00 667667.00 492165.00 463604.00 384289.00 422435.00 284387.00 299902.00 289398.00 1090986.00 973248.00 798222.00 887809.00 883384.00 1133214.00 809918.00 746759.00 464696.22 371169.09 403410.62 314984.09 1069225.00 1100334.75 1225590.12 1118356.00 1372128.25 1005323.31 1133889.00 1042520.19 203173.00 201261.05 199169.58 147379.94 26029.53 22613.79 28191.38 - 435357.66 869803.44 547887.38 448012.91 1071201.62 3274934.00 3210974.75 3154175.00 616038.25
Leu-Pro-Pro
300273.00 385774.00 273385.00 426916.00 314079.00 505608.00 356386.00 478658.00 489846.00 418133.00 405745.00 272028.00 748505.00 853280.00 691091.00 525276.00 524878.00 676268.00 1106272.00 820745.00 833479.00 1327254.00 1140360.00 1005622.00 407980.53 496151.72 564624.12 460640.09 747806.88 748122.56 1099363.88 893524.31 772834.62 642884.12 853140.00 679129.00 307154.00 306007.12 361510.38 355955.84 209890.55 173668.31 253744.25 680391.81 691527.00 392295.38 632922.81 259855.75 639221.75 593475.25 601408.81 679415.06 715324.06
Leu-Tyr
233316.00 144835.00 159982.00 99184.00 68008.00 102801.00 30102.00 100298.00 93885.00 60470.00 118306.00 71251.00 82921.00 64119.00 86166.00 128304.00 170902.00 97358.00 90278.00 133135.00 145420.00 83144.00 125387.00 218999.00 147567.30 131102.00 127404.45 176460.77 137869.31 86519.68 98224.52 104962.34 148143.02 103683.94 102182.25 150676.03 63800.00 146453.83 83860.19 49673.26 106307.35 161718.39 184558.23 185976.50 35538.82 84109.88 69862.88 50009.55 213332.27 156616.78 150653.34 169984.12 119388.04
Leu-Val-Pro
148156.00 145708.00 162731.00 67769.00 517770.00 674395.00 484575.00 511715.00 563518.00 371191.00 590395.00 410708.00 1294439.00 1062254.00 1275624.00 1113760.00 1217920.00 1363502.00 1377973.00 1181929.00 1096655.00 1498603.00 1305636.00 1023147.00 903815.12 685045.75 1149167.62 778643.31 1105587.62 1020649.75 1317819.25 1355254.38 1172992.12 683159.81 960118.88 959685.44 269177.00 361281.69 449101.72 276908.03 354166.16 437338.75 567759.12 534478.19 182501.55 404150.53 397721.53 297894.81 1282752.75 2464073.00 2614399.00 2537739.25 920374.75
L-gamma-glutamyl-L-isoleucine
94224.00 60670.00 63772.00 39488.00 101762.00 150305.00 78737.00 88311.00 130900.00 110547.00 125438.00 73119.00 147600.00 130655.00 146866.00 196971.00 262030.00 277002.00 265232.00 245955.00 246616.00 220246.00 270339.00 268635.00 146295.11 144715.20 163111.31 178228.34 223794.06 202033.86 250067.83 212793.03 248873.09 170200.11 206722.56 228694.20 34452.00 111437.02 65901.16 48176.70 66808.83 74315.53 95653.51 112760.83 76785.91 134442.78 112247.93 98831.36 1319793.50 254556.03 240757.77 260101.34 164942.77
L-Glutamate
32553.00 21604.00 - - 87347.00 107973.00 135711.00 54947.00 66794.00 64655.00 92514.00 27720.00 480736.00 548829.00 463618.00 414475.00 323741.00 311277.00 882205.00 345978.00 251255.00 441544.00 273752.00 226260.00 244917.08 187351.62 625331.31 338887.81 163882.33 195485.05 369413.12 303143.50 197870.91 92794.19 163451.16 141382.42 24294.00 67485.47 70240.41 85105.74 - 56270.66 117241.82 142991.06 46273.09 58750.25 69516.52 65534.52 320273.47 217533.80 267759.00 230634.39 90595.51
L-Glutamine
1100565.00 25686552.00 3150630.00 224946048.00 3532206.00 1762835.00 7918012.00 2125904.00 3474140.00 3851297.00 1559454.00 13839490.00 57701856.00 67543968.00 39493064.00 35735964.00 885720.00 3722067.00 25918470.00 5842231.00 850163.00 6543931.00 2862756.00 3226229.00 3772762.25 24493126.00 29436906.00 11570166.00 1492058.88 5076964.50 6814745.00 11277680.00 3380420.75 4538374.50 1920942.88 2320729.00 1436938.00 708737.56 2987790.25 20855148.00 21840666.00 5244749.50 2088900.88 110524080.00 51420708.00 3102419.00 15778868.00 2292054.75 20971762.00 9310876.00 10299519.00 10010717.00 10247477.00
L-Histidine
- - - - - 31972.00 18448.00 11759.00 44751.00 15566.00 7884.00 7303.00 152691.00 109297.00 31765.00 25154.00 80590.00 208333.00 48620.00 61476.00 293552.00 132823.00 315770.00 135356.00 53822.43 26498.17 50596.47 39447.78 147805.39 68068.26 91574.98 26347.05 54841.60 32971.78 24033.08 179973.12 - 6519.08 - - 10183.08 - - - - 29336.15 33561.34 - 259802.45 99915.97 115611.46 108059.86 114159.53
Lithocholate3-O-glucuronide
179682.00 143159.00 129274.00 132179.00 139418.00 135778.00 140785.00 168941.00 120721.00 143474.00 122653.00 127961.00 112342.00 151917.00 156612.00 131200.00 151187.00 146793.00 146216.00 117491.00 159673.00 132237.00 143327.00 149796.00 174306.36 114728.14 128314.19 135183.70 142905.14 153775.25 128459.09 124966.56 139961.09 123432.22 137626.20 165767.83 129886.00 157423.67 137069.19 118171.39 138712.20 142054.22 133366.81 178340.97 98271.00 136125.64 148485.52 147716.23 251150.59 133693.61 139507.44 135651.22 155419.09
LL-2,6-Diaminoheptanedioate
20745.00 9293.00 10338.00 - 19393.00 23690.00 11644.00 11783.00 25337.00 17934.00 29844.00 9538.00 74951.00 57742.00 94297.00 73402.00 194275.00 148473.00 152316.00 117173.00 182437.00 183942.00 216251.00 161649.00 88422.96 61154.81 96291.23 77838.78 88877.74 82708.11 107763.92 104370.14 115043.37 45707.27 73030.21 77044.57 8450.00 19019.48 11063.75 10122.89 25946.79 41364.07 44936.11 41110.29 20395.80 30945.31 42785.06 25522.45 314470.28 802974.38 714178.69 702368.00 67534.59
L,L-Cyclo(leucylprolyl)
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
L-Leucine
1373119.00 650469.00 697253.00 294226.00 1490417.00 1935677.00 1419331.00 1857301.00 1882024.00 1394654.00 3174627.00 1833297.00 8922690.00 5139214.00 6659749.00 9763263.00 10108028.00 10582624.00 11217950.00 9743583.00 10217873.00 10841023.00 13403299.00 12897276.00 5446845.00 3606426.25 6619475.50 5729716.00 6435317.00 5480325.50 10915634.00 8287780.50 8793371.00 3678324.00 8545281.00 9007944.00 761979.00 1691415.38 1408688.12 667806.19 1037823.69 1439301.12 2285387.25 1624514.00 1123365.62 2654559.75 3068580.25 2364230.75 13542508.00 25466004.00 24400584.00 24067406.00 5797233.00
L-Lysine
10080076.00 6883888.00 6599528.00 3633676.00 6005259.00 10318187.00 3179923.00 8155620.00 9768453.00 7048832.00 10506114.00 7025032.00 7541210.00 6590503.00 5621417.00 8193417.00 13415773.00 9143657.00 10286204.00 11521870.00 11907912.00 15381264.00 17425596.00 19976428.00 7677347.50 6879687.00 5838170.00 7735899.50 11560717.00 8589867.00 11535465.00 11001908.00 21032744.00 14234518.00 15968999.00 18361572.00 4126571.00 9473923.00 5805479.50 3302995.75 4621071.00 7144387.50 7110937.50 9895950.00 3327792.00 7426790.50 8799352.00 4873518.00 16355294.00 29522282.00 28882916.00 30021402.00 11248408.00
L-Methionine
1345078.00 781544.00 781732.00 351277.00 421065.00 643845.00 158552.00 507402.00 605277.00 267103.00 720643.00 327810.00 543441.00 410820.00 394069.00 871809.00 1020188.00 433468.00 564476.00 664656.00 759986.00 451960.00 776278.00 1217223.00 777763.12 741893.44 687296.56 1054303.75 772107.19 466843.16 637561.31 539864.31 905837.06 678688.62 533974.25 920097.75 308359.00 908737.88 443235.50 259866.09 594441.75 907379.00 928843.75 1423453.00 244338.64 361159.50 392631.78 267106.44 1713074.50 797581.81 841372.00 946240.06 831326.62
L-Methionine S-oxide
1255427.00 578249.00 699658.00 384749.00 235970.00 378256.00 122196.00 371445.00 212388.00 137549.00 414917.00 237279.00 330972.00 176913.00 207543.00 336192.00 575806.00 218768.00 315687.00 370611.00 479204.00 219662.00 378402.00 689848.00 489673.16 469343.19 352688.34 685342.62 512957.00 221370.58 279909.84 193646.45 526106.69 276439.09 216098.84 411490.44 235790.00 688809.12 314471.31 150424.97 437825.25 729780.62 818622.06 1124801.75 106594.23 145945.70 207405.78 127262.53 989155.12 697388.81 677403.00 702167.62 581679.38
L-Phenylalanine
117114.00 56263.00 120709.00 39077.00 189548.00 359463.00 362828.00 196686.00 255919.00 136333.00 180407.00 89281.00 499178.00 669631.00 437542.00 450668.00 737647.00 988837.00 488341.00 501233.00 884352.00 474812.00 601443.00 426792.00 521374.31 365281.28 446487.53 358559.72 457151.66 491541.56 671043.44 382736.50 285644.91 237173.36 255601.75 369568.03 103104.00 152521.50 134627.06 95873.14 113860.80 105731.02 124144.47 84810.08 87499.56 210157.33 173594.38 111116.89 466935.00 636483.62 664521.88 571366.94 501566.41
L-Proline
29424.00 17977.00 21487.00 11606.00 91825.00 273937.00 395405.00 142669.00 314035.00 108848.00 131054.00 94878.00 105563.00 274593.00 54653.00 62164.00 130048.00 527607.00 116358.00 116045.00 1353004.00 219778.00 1147524.00 405943.00 106637.73 58076.95 107272.38 120242.63 515876.25 259311.72 447623.38 126252.12 262006.61 237365.83 244128.62 1359475.50 36364.00 67081.85 46511.31 46698.10 22701.72 19843.08 24681.12 22919.34 60491.15 190781.72 192819.00 94952.51 745878.81 955189.75 989192.88 973821.56 795476.44
L-Serine
20466.00 14755.00 24433.00 12598.00 13784.00 33730.00 83084.00 17322.00 36204.00 14021.00 16839.00 15138.00 36393.00 89040.00 19690.00 13268.00 24259.00 58384.00 15266.00 16755.00 100530.00 17118.00 83249.00 38374.00 27024.43 20258.94 19040.26 14270.62 85937.88 36936.27 39329.73 14476.42 18463.37 17122.36 17342.88 94859.55 15786.00 21872.57 12727.97 19606.64 15977.78 12112.26 14780.47 14084.64 15282.17 21702.24 22906.81 13172.83 96938.01 144610.89 120976.48 134872.83 127580.63
L-Tryptophan
1232402.00 6972492.00 2815874.00 18885380.00 3043415.00 2199782.00 3906779.00 2224459.00 2570711.00 3343242.00 1576026.00 2655789.00 12136884.00 12964812.00 17847866.00 9885846.00 2413635.00 12113996.00 17686938.00 5963843.00 2886171.00 12243850.00 5809389.00 2497374.00 8876558.00 10175835.00 16972248.00 9144976.00 3092738.50 9810313.00 12755832.00 12278868.00 6657099.00 4434684.00 3255451.75 4553020.50 2741147.00 1583220.00 4361885.50 7677141.00 4819026.00 3717343.75 3457000.75 9709849.00 8682911.00 3688989.50 8298750.00 3128714.50 527824.75 7510109.00 7365430.50 7132075.50 5933699.50
L-Tyrosine
10496.00 4741.00 14876.00 3964.00 54594.00 123082.00 95281.00 67173.00 68864.00 30323.00 47592.00 25442.00 195802.00 280769.00 154205.00 176742.00 163345.00 272366.00 158176.00 204877.00 212343.00 201328.00 218022.00 177615.00 141990.77 93703.32 136823.72 130435.09 220426.02 181234.03 241937.48 173315.14 112742.50 87104.10 125390.60 152711.03 22018.00 36137.78 26577.06 15046.00 71577.35 67252.45 145991.88 150849.78 50222.46 127493.88 116547.57 58181.39 166337.34 186168.28 188210.81 183013.58 160069.28
L-Valine
283675.00 166420.00 176391.00 83094.00 126465.00 161103.00 77447.00 135391.00 148418.00 104842.00 178923.00 108238.00 189576.00 171387.00 218152.00 229194.00 199584.00 152113.00 169499.00 241569.00 146288.00 132167.00 225757.00 217211.00 243477.14 193857.30 282986.12 264016.16 171157.31 115714.70 171500.16 137366.80 190887.92 177771.14 158830.98 180662.48 102972.00 183805.62 137884.78 91711.91 114261.20 153564.67 167035.22 248213.86 74306.95 90190.96 128683.52 84962.45 244117.22 332921.19 298013.03 316712.72 178078.14
Lys-Ala-Pro
1060395.00 779815.00 871552.00 493378.00 1342900.00 1718030.00 1218063.00 1236313.00 1285821.00 1068448.00 1509584.00 948394.00 2881755.00 2397350.00 2825697.00 2841450.00 3487723.00 3645536.00 3560518.00 3471568.00 2698594.00 2861989.00 2779968.00 2602838.00 2892680.25 2214061.50 3022048.00 2701371.75 2624482.50 2450610.00 3413595.25 2946630.75 2122897.50 1455016.75 1839263.62 1932859.25 749725.00 1097670.12 967584.56 575468.44 792621.69 1136956.12 1474878.25 1318475.12 779052.88 1417697.00 1334521.00 861313.12 6044323.50 11304107.00 11662672.00 11844587.00 2334392.25
LysoPA(16:0)
9451.00 4610.00 14876.00 - 44794.00 105529.00 85788.00 60087.00 60225.00 30323.00 47867.00 25230.00 177789.00 267706.00 138092.00 161859.00 156275.00 231419.00 147365.00 175975.00 201029.00 173102.00 193582.00 167913.00 128176.78 95207.23 129739.83 123430.82 191474.31 168080.72 232357.77 175228.86 112742.50 87104.10 125365.62 144652.17 20532.00 36137.78 22885.12 18185.98 52105.22 71841.48 132757.22 145538.58 48950.72 115717.75 105721.62 58181.39 173961.84 176977.80 176531.48 180176.94 153829.64
LysoPA(18:2)
3119661.00 - 2927312.00 2249824.00 2698485.00 2921967.00 2331247.00 2876842.00 2709296.00 2865389.00 3170349.00 2850102.00 2185700.00 1299061.00 2490119.00 2538521.00 3238342.00 2452862.00 2263825.00 3070126.00 2872569.00 2421333.00 2927178.00 3350220.00 2912389.00 2529602.50 2538483.50 2758446.00 3446800.50 2707268.25 2639015.50 2451004.50 3243021.75 2813445.50 2939181.25 3148444.75 2941088.00 3220637.50 2831190.00 2329907.75 2908080.50 2927947.75 3032894.75 2711251.25 1692138.62 2929527.00 2939212.25 3123172.50 2908526.25 3336039.75 3168718.50 3302335.50 3058473.50
LysoPE(18:1)
345989.00 202753.00 251563.00 142610.00 329051.00 394527.00 271035.00 310568.00 410813.00 290870.00 503973.00 264798.00 481507.00 339856.00 426367.00 563955.00 835954.00 690278.00 892675.00 867880.00 734673.00 456090.00 1167913.00 935910.00 903944.81 565125.50 837047.81 994636.25 1050846.62 655294.44 921211.06 858629.00 877359.44 431254.59 674697.44 848747.75 164433.00 343672.56 205227.72 154916.16 235579.81 364274.81 455988.50 475813.84 166383.81 340382.88 381645.25 411410.41 823210.12 1031703.94 916474.25 1036984.94 760577.25
Lys-Pro
386286.00 279956.00 360106.00 144810.00 322354.00 464785.00 375457.00 318183.00 399588.00 260744.00 333110.00 205121.00 1007927.00 1077880.00 990447.00 1050120.00 1427483.00 1625126.00 982858.00 1028615.00 1204829.00 873344.00 1020384.00 781165.00 1102277.75 810005.12 925165.31 843093.25 950493.00 836339.62 1142273.62 821781.00 540622.31 410191.44 511558.88 665064.19 237183.00 339600.12 299089.66 199424.38 381396.06 396980.56 423597.28 312183.41 165210.39 410666.56 365169.19 282734.22 924560.75 2023796.88 2038362.38 1905678.25 795912.00
Lys-Ser
105559.00 72898.00 75626.00 50117.00 141595.00 178198.00 126420.00 124770.00 148697.00 127507.00 162813.00 116149.00 210812.00 216571.00 232872.00 249678.00 282736.00 135366.00 222979.00 208678.00 226987.00 278448.00 319607.00 247434.00 246303.61 173719.67 232543.92 217370.00 285625.50 188559.58 253675.45 208101.75 283393.62 175866.06 232100.73 232456.56 91589.00 136824.88 106422.30 57285.76 79115.70 93049.86 118847.86 122368.75 102353.12 139476.64 141522.39 99930.55 297321.22 218116.59 235436.25 206531.89 182157.19
Lys-Val
- 132525.00 28182.00 931885.00 39829.00 55360.00 188384.00 86417.00 39805.00 105593.00 22727.00 199905.00 371985.00 463306.00 250619.00 166515.00 - 58995.00 294229.00 63541.00 31046.00 159231.00 34616.00 25617.00 36208.23 206634.59 195087.38 56245.90 26677.88 101019.21 55771.69 169944.20 26867.29 29820.25 25106.78 20695.30 35555.00 21438.16 131360.23 275462.84 118569.09 64609.55 51946.07 589495.94 494999.00 22152.47 99642.56 18303.48 218745.61 113002.27 90417.88 107738.06 108374.69
Maltose
2508857.00 3235787.00 4644690.00 10781714.00 1821905.00 2549927.00 3488256.00 1814324.00 2033072.00 2974581.00 2072353.00 1987857.00 2912013.00 2073467.00 2969483.00 3954569.00 1319356.00 1676429.00 3247032.00 1877369.00 1467851.00 3868093.00 1448210.00 1549225.00 3409905.50 2447503.00 4103515.25 2870260.50 1543768.38 2129607.25 2316856.25 2792779.00 1225719.75 514568.53 1005515.88 776922.50 2729989.00 1995490.25 2932893.25 2700728.25 3475379.50 2541476.50 2850492.25 13208398.00 2588148.00 1574346.25 2122476.25 4093130.25 2810496.25 1999774.38 3726630.75 2805364.75 2349077.50
Mannitol
290358.00 136116.00 208661.00 165897.00 188098.00 271810.00 170728.00 205739.00 186565.00 209605.00 250981.00 229573.00 236187.00 191569.00 185889.00 209197.00 359161.00 205888.00 253273.00 299147.00 181425.00 226984.00 289789.00 384485.00 246868.97 153461.61 179607.58 276656.81 284885.94 232303.55 238878.27 165023.41 337604.41 249010.78 319781.69 305165.72 229832.00 242932.20 230143.42 183316.02 199832.84 245557.75 242948.20 209085.81 - 222977.67 234605.83 184481.55 111912.70 316777.53 378328.53 399637.94 270656.09
(-)-Menthol
189707.00 183130.00 217943.00 161155.00 178933.00 237048.00 233872.00 168785.00 160119.00 213208.00 201247.00 166293.00 204508.00 270150.00 238836.00 179793.00 208752.00 280126.00 214788.00 209604.00 293916.00 244163.00 260900.00 189393.00 176535.72 211294.16 243120.41 185018.00 210959.97 229480.14 249093.17 185688.89 199094.72 219205.98 204073.34 223705.00 164808.00 197315.50 199280.77 163263.70 144201.91 209665.33 204667.28 163906.98 149324.69 220689.91 239792.12 156987.20 172661.44 268874.72 279785.44 274085.44 222135.58
mercapto-2-propanol
57253.00 24123.00 24476.00 - 34583.00 30354.00 32633.00 35520.00 53344.00 18362.00 52721.00 21364.00 80298.00 69106.00 95267.00 103568.00 108981.00 107189.00 102492.00 129776.00 80973.00 57097.00 87004.00 87665.00 94852.98 70344.84 113113.32 107567.73 83270.70 73612.05 112614.51 98403.12 78475.57 53600.87 67049.48 73398.88 - 71286.70 18541.32 27860.96 49628.68 54872.08 25729.57 36337.97 - - 31990.86 - 81293.75 130866.69 144160.95 137158.80 64705.11
Mesaconate
- 1049600.00 192806.00 3378715.00 3171248.00 2020237.00 10834834.00 2016090.00 3923623.00 6197213.00 1182734.00 6235216.00 8235769.00 5960643.00 5138686.00 5539836.00 378100.00 4894658.00 19680188.00 2352594.00 1477612.00 10463052.00 3352878.00 1768968.00 1538528.50 2445627.50 6024312.50 1883791.00 399331.16 2401431.50 3541603.50 6030982.00 939492.94 1807984.38 1023603.06 1218839.62 1536052.00 362566.44 3816009.25 9301562.00 1399994.62 644387.94 808332.62 3474821.00 12883706.00 974752.44 4651007.00 553136.94 4556416.50 3099654.50 2947112.00 3012302.00 2921682.50
meso-Tartaric acid
- - - - 216940.00 307514.00 285181.00 262603.00 243149.00 166340.00 264101.00 169426.00 991613.00 770847.00 838262.00 928905.00 1286863.00 1207768.00 2352128.00 1505533.00 1073427.00 1158415.00 1718635.00 1178327.00 846851.88 565889.31 1035421.31 833145.31 1137554.75 1148839.38 1550504.62 1384388.00 984241.38 426392.34 916268.12 768892.75 121599.00 175030.75 152803.75 141791.52 137332.77 184690.27 192233.22 321982.06 263032.03 330079.62 352067.09 260713.95 458983.50 1006852.06 894157.81 965805.38 829242.81
meta-O-Dealkylated flecainide lactam
- - - - - 72707.00 22417.00 54280.00 26002.00 - 45810.00 26320.00 63571.00 60226.00 93143.00 95177.00 100169.00 88943.00 188954.00 132605.00 85673.00 92015.00 135951.00 147107.00 67887.86 56624.39 107844.85 86782.53 101303.26 111895.94 129083.05 66935.88 105461.46 54571.70 134055.64 110121.43 - - 24688.86 - - - 24736.10 86962.40 - 51432.05 45020.95 25884.00 - 151083.12 79669.79 83823.87 95467.20
Methyl 2-diazoacetamidohexonate
1151884.00 864031.00 857474.00 502923.00 1972430.00 2567145.00 1911547.00 2010671.00 2378857.00 1894425.00 2244973.00 1591191.00 3572630.00 3367961.00 3742002.00 4515618.00 6070127.00 6299175.00 6429052.00 6194807.00 6543193.00 5796241.00 6524641.00 6175508.00 3111027.25 2553306.25 3720223.75 3436276.25 4570235.50 4706994.00 6200241.00 5437139.00 4930030.50 3355839.75 4936729.00 4637950.00 1060604.00 1729083.88 1215259.12 804241.75 925419.56 1216718.62 1535184.50 1970350.75 1734426.38 2748066.25 2348331.25 1647522.50 3449489.75 2888822.50 2817234.50 3064584.00 3372896.50
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopen...
- - - - - - - - - - 85146.00 32488.00 - - - - - - - 48311.00 - 63535.00 53948.00 61296.00 - - - - - - 44519.66 - 33004.14 - 53106.26 77997.52 - - - - - - - - - - 45860.79 - 51198.45 126679.66 139053.66 141232.25 27118.71
Met-Val
32679.00 24872.00 30033.00 19633.00 30152.00 34376.00 35307.00 35395.00 33897.00 31532.00 37023.00 27493.00 62028.00 45794.00 53484.00 54594.00 113585.00 117197.00 87200.00 77379.00 139192.00 150479.00 121377.00 102013.00 55718.59 42598.58 61122.13 49813.60 61685.53 66253.79 78398.86 63311.24 80186.16 51402.62 68396.31 73488.28 21526.00 28229.36 29958.24 22038.33 25121.20 28631.13 36638.39 65719.51 25798.13 38349.21 37035.57 32080.01 71045.34 76440.11 74840.72 79988.66 59492.12
N2-Succinyl-L-arginine
327839.00 217810.00 214966.00 116007.00 429612.00 579322.00 458143.00 432336.00 550072.00 446006.00 562314.00 373947.00 792606.00 675207.00 907444.00 1165517.00 1211605.00 1374573.00 1247020.00 1474400.00 1254342.00 1467628.00 1317512.00 1343476.00 731826.00 599566.44 1094002.88 788657.38 977118.50 1174110.12 1440830.88 1453453.62 1007414.31 691940.62 1026038.62 981017.38 223595.00 454717.25 302213.94 254287.58 238440.70 323433.97 218316.56 371112.91 204403.52 580422.75 547664.19 398770.31 2410820.25 1299672.75 1446463.00 1470876.12 734359.81
N2-Succinyl-L-ornithine
85024.00 192484.00 110134.00 - 151220.00 139516.00 260133.00 134327.00 196084.00 290491.00 133664.00 252954.00 335060.00 320152.00 277914.00 120752.00 66953.00 198033.00 264410.00 84707.00 78441.00 225867.00 124789.00 96655.00 135386.97 230882.39 127035.05 101799.00 71990.37 136005.47 155299.45 209467.36 142246.48 138479.05 127132.73 126395.67 118364.00 123628.17 166984.23 301283.22 94377.87 104961.30 107817.11 167956.52 158945.58 90992.52 248264.23 121168.87 254073.56 164974.52 152233.05 185617.97 172658.83
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate
162569.00 127710.00 112712.00 54490.00 102543.00 198027.00 - 180825.00 154420.00 90146.00 190803.00 78818.00 67574.00 276730.00 130420.00 311340.00 475082.00 400263.00 404621.00 419637.00 376084.00 359084.00 477600.00 448370.00 245219.34 159414.50 280117.78 250656.22 273162.72 353784.78 453020.38 264420.00 347463.00 169639.47 223999.20 287011.16 30276.00 175158.98 98114.55 - 121655.90 141750.00 163384.80 191226.00 108533.82 165255.30 176227.34 79912.66 312951.22 406336.50 385123.53 373761.22 331135.72
N5-acetyl-N5-hydroxy-L-ornithine
2047131.00 806421.00 1638042.00 194359.00 736545.00 1249749.00 719429.00 1174663.00 1055978.00 631620.00 974260.00 580046.00 2988101.00 2614884.00 3041357.00 3051875.00 3739377.00 4414816.00 3821942.00 3637412.00 4211917.00 4107246.00 4566338.00 3653550.00 2119369.00 1538788.00 2434390.00 2031178.25 2936490.25 2629115.75 3628385.25 3306059.50 2807186.25 1625951.75 2647572.00 2718371.25 307466.00 521333.38 415079.53 284038.12 515993.53 653214.50 995895.00 967868.12 519336.22 1766734.88 1114308.62 680789.69 2309477.25 2908479.75 3018741.00 3034173.00 2076168.12
N6-(1,2-Dicarboxyethyl)-AMP
15232.00 - 31233.00 - 4522.00 16465.00 20335.00 20375.00 15093.00 10067.00 22951.00 19500.00 165851.00 150864.00 130103.00 159128.00 126995.00 190325.00 144334.00 102109.00 164887.00 126799.00 171777.00 140705.00 73753.11 47177.99 77325.98 79944.34 44619.75 37466.57 79363.98 62602.31 38544.62 20643.96 57959.21 65395.57 - 9996.88 14656.37 5795.79 11051.06 10119.88 23650.81 21664.15 - 21099.79 38051.04 24343.18 84569.92 93496.95 100776.39 86647.72 86792.02
N6-Acetyl-L-lysine
53174.00 32521.00 - - - 46833.00 - - 36469.00 - 40385.00 - 64984.00 39764.00 53149.00 49937.00 50087.00 - - 56120.00 - 32185.00 63010.00 52505.00 58486.17 - 103625.45 56102.30 46502.04 64287.98 127428.02 49729.14 74856.99 34884.32 46842.91 37329.43 - 98171.65 30543.96 - - 46653.73 41347.26 - - - - - 74016.24 140378.20 130996.55 148746.39 41101.77
N6-Acetyl-N6-hydroxy-L-lysine
16700.00 12043.00 26578.00 - 56097.00 68272.00 50543.00 28165.00 84766.00 57239.00 69170.00 30580.00 154938.00 97603.00 131968.00 155937.00 236081.00 222375.00 209018.00 167149.00 218138.00 270413.00 246197.00 177022.00 99799.50 64661.96 98805.37 74490.09 116202.05 102665.02 151069.20 130419.68 213316.69 125401.04 149098.36 168710.94 16597.00 36586.86 30052.32 17829.38 14062.27 37210.04 43814.04 39108.80 29686.37 99651.23 66864.44 47092.57 656163.06 1409563.38 1382549.50 1427614.38 122123.72
N-(6-Aminohexanoyl)-6-aminohexanoate
7560.00 - - - 24604.00 48673.00 36599.00 16479.00 77169.00 35905.00 32871.00 25813.00 193522.00 84797.00 92818.00 85049.00 1859638.00 1587850.00 787759.00 655237.00 2375377.00 2966944.00 2195906.00 1461451.00 64591.88 44925.81 129828.34 48604.41 301084.41 186449.95 414650.12 169692.47 878338.62 150868.19 444484.28 549268.56 - 16793.13 15686.32 6708.55 - - 8776.56 17178.99 8265.08 32910.42 29580.66 13823.24 1015116.00 895231.44 956813.56 952025.50 314961.03
N6-(L-1,3-Dicarboxypropyl)-L-lysine
- 61074.00 - - 87286.00 63206.00 207454.00 74603.00 135845.00 48651.00 54183.00 157340.00 144136.00 393893.00 164746.00 240040.00 49034.00 160958.00 429043.00 148461.00 92868.00 271388.00 119828.00 87111.00 - 156256.12 273897.16 61548.23 74847.77 196446.44 245380.48 311373.59 133319.28 132580.61 124900.66 129716.74 - - - 95902.08 76033.54 - - 190892.88 305235.03 84697.56 194187.16 33160.14 121465.82 52860.59 52513.24 56144.84 127250.84
N-Acetyl-D-glucosamine 6-phosphate
102992.00 74332.00 57209.00 59522.00 225814.00 303059.00 152004.00 232527.00 338524.00 225338.00 251814.00 236288.00 186669.00 137621.00 147727.00 214494.00 453728.00 402319.00 226760.00 278960.00 385228.00 359871.00 217052.00 210041.00 261651.00 200836.39 291575.91 256269.52 235981.48 353494.19 262014.80 267792.78 249614.06 245316.14 183133.78 212971.88 162198.00 110943.27 100529.65 122251.68 63124.02 83532.90 84468.18 123501.16 143598.83 326424.88 410594.47 111444.77 441758.59 272848.03 226005.98 247291.84 233962.64
N-Acetyl-D-mannosaminolactone
157445.00 147357.00 166779.00 45500.00 84265.00 78071.00 94898.00 77140.00 72157.00 48517.00 65426.00 36861.00 229792.00 253475.00 273240.00 356053.00 580449.00 583968.00 332372.00 393644.00 377171.00 249208.00 401581.00 264709.00 508254.19 518699.84 682407.19 515008.62 530698.56 488020.41 558918.81 593594.12 317525.53 183597.11 213148.70 309177.75 60634.00 85391.41 85353.56 40614.16 266124.59 423330.06 515842.25 477458.91 62338.94 244198.34 115234.60 131399.27 330014.72 391949.25 420448.31 410432.22 373986.97
N-Acetylglutamine
136467.00 62432.00 59061.00 87727.00 69790.00 89530.00 32276.00 48545.00 68524.00 107216.00 55783.00 67603.00 47728.00 36255.00 122742.00 58897.00 60090.00 35775.00 41601.00 59015.00 39621.00 51644.00 51906.00 98894.00 50575.80 50273.38 29857.80 60016.64 123040.32 54300.12 67307.35 75025.34 58672.73 67257.98 91440.90 71672.62 67859.00 102827.99 39302.48 54934.22 69153.95 66570.46 52879.64 117781.84 87153.95 68972.70 55713.94 56556.66 240159.22 96516.08 87635.86 129183.41 147834.69
N-Acetyl-L-aspartate
80975.00 77943.00 82078.00 52046.00 241140.00 337583.00 219649.00 192313.00 249526.00 211831.00 306780.00 197425.00 709345.00 557618.00 741429.00 673233.00 857499.00 989560.00 901201.00 820762.00 776194.00 941963.00 986548.00 758071.00 682117.19 471292.19 749211.94 609685.94 665100.44 677968.06 888633.88 814561.50 619991.31 359508.06 589699.81 601780.31 120377.00 162105.64 177879.66 106849.89 214352.36 283779.50 353542.25 321284.78 175868.23 399345.00 298176.09 243923.89 769753.75 1122290.00 1127786.75 1105354.25 553709.50
N-Acetyl-L-glutamate
56666.00 59154.00 58625.00 13745.00 27137.00 35047.00 54251.00 34193.00 33138.00 15624.00 24154.00 18337.00 94139.00 132000.00 99565.00 146392.00 235790.00 246668.00 128582.00 159242.00 171667.00 87804.00 163255.00 92458.00 207164.77 191761.89 252326.83 196898.42 243838.22 199860.55 217205.23 200989.78 110954.17 70380.08 69422.74 135195.52 27243.00 32963.02 32158.81 17632.20 94058.05 160365.69 177395.84 175614.12 24376.92 91870.87 44161.41 43409.46 169105.25 212200.58 229100.69 216068.19 166232.08
N-Acetyl-L-glutamate 5-semialdehyde
72438.00 47486.00 62052.00 26792.00 191404.00 271138.00 204612.00 190192.00 204451.00 125424.00 179672.00 96720.00 562891.00 458029.00 668515.00 566702.00 807940.00 837561.00 681625.00 655709.00 762732.00 661126.00 738130.00 543052.00 521395.78 376981.72 723431.62 532873.69 645338.56 620221.50 759102.38 612029.50 452473.12 254242.81 410404.50 406760.16 90892.00 124735.04 111109.04 71296.26 183769.55 215113.31 337077.00 266984.19 108147.44 299377.25 205311.95 158852.98 471715.09 894524.88 877530.75 881276.50 422410.97
N-Acetyl-L-leucine
133063.00 97439.00 156408.00 83079.00 95474.00 233043.00 289058.00 155765.00 211360.00 104664.00 111802.00 97760.00 213149.00 286853.00 148640.00 94807.00 169628.00 254022.00 135122.00 151210.00 267864.00 124820.00 270364.00 196408.00 195675.72 142307.98 173583.84 193022.00 288524.47 232468.56 202943.36 97148.11 141021.05 136480.72 103874.67 278282.06 122193.00 155234.80 98809.70 151865.77 118142.64 96212.97 106031.40 58709.05 92411.53 174303.19 193505.03 99460.20 208185.27 289592.50 288968.69 248966.28 267401.75
N-Acetyl-L-phenylalanine
80975.00 77943.00 82078.00 52046.00 241140.00 337583.00 219649.00 192313.00 249526.00 196203.00 306780.00 197425.00 697430.00 540944.00 741429.00 673233.00 857499.00 989560.00 874469.00 820762.00 776194.00 906180.00 986548.00 735352.00 682117.19 471292.19 749211.94 609685.94 722998.88 677968.06 865568.25 775955.69 619991.31 359508.06 589699.81 601780.31 115587.00 162105.64 177879.66 104623.67 214352.36 277994.38 316674.97 321284.78 167590.22 399345.00 281058.94 223475.55 780525.88 1144223.00 1120738.38 1083571.00 568384.00
N-Acetylmethionine
45325.00 43920.00 58540.00 21084.00 40617.00 84936.00 48214.00 44284.00 46890.00 85918.00 118848.00 40125.00 27968.00 55979.00 63690.00 27511.00 39901.00 65853.00 74002.00 80622.00 86739.00 134253.00 143448.00 97012.00 34843.46 64123.99 58455.14 36081.62 72270.49 99585.10 154416.19 58407.76 102412.09 220641.31 175811.70 102900.80 23146.00 44340.75 44117.35 23009.73 19665.70 53032.28 57795.48 34188.00 27477.08 141356.42 135622.03 81264.22 27844.62 96286.08 130446.21 84043.82 57208.55
N-Acetylneuraminate
90690.00 104077.00 102576.00 184944.00 112305.00 102291.00 94355.00 105529.00 103045.00 90788.00 96442.00 102361.00 75498.00 81488.00 101213.00 101585.00 102144.00 86613.00 81475.00 110928.00 103384.00 99961.00 114706.00 80986.00 122530.97 88746.91 78335.38 108877.77 109425.15 97827.60 110372.84 101415.23 94331.84 92426.71 95104.89 94136.81 117026.00 99534.66 99198.14 95703.06 110033.37 106074.94 106149.90 95038.47 205590.27 107387.42 101317.57 90259.12 74088.98 110436.12 94616.62 100295.06 92580.27
N-Acetylornithine
32585.00 24198.00 23447.00 - 35122.00 77809.00 58481.00 58758.00 74939.00 50253.00 68748.00 42225.00 108916.00 80842.00 119459.00 103651.00 139023.00 190955.00 159862.00 150091.00 158835.00 177761.00 137708.00 153756.00 102450.70 91132.08 128367.09 117389.86 130335.29 117345.03 172475.55 124490.81 125105.20 108263.71 117695.59 149769.69 29018.00 55427.25 45605.42 23595.49 28642.10 50439.49 77942.80 78230.06 25431.71 80772.00 74040.30 47850.57 61511.13 125468.62 124097.05 121154.20 107200.20
NAD+
317989.00 301168.00 503003.00 153372.00 265059.00 417078.00 380850.00 293692.00 403185.00 249163.00 476160.00 190741.00 2435666.00 1748471.00 2764326.00 2548895.00 2311563.00 3108248.00 3560631.00 2374904.00 2711425.00 2177049.00 2903040.00 1900139.00 1420090.75 1060477.00 2053691.25 1484865.12 1035725.44 870863.12 1672666.00 1337146.62 926239.06 451451.16 835484.75 902857.62 203952.00 270627.06 308920.09 168215.78 359037.84 539261.62 736897.06 706397.44 216342.03 459582.84 434178.97 216095.09 1375652.25 1758230.38 1697461.00 1640217.62 1217778.25
NADP+
73725.00 - - - - 42747.00 - - - - 51155.00 - - - 22770.00 73164.00 121191.00 40263.00 101522.00 116046.00 96556.00 60813.00 108998.00 120111.00 97480.37 - 46411.87 77490.62 123066.82 35861.03 85887.93 40346.47 72226.10 59152.51 73045.31 69493.23 - 30309.36 - - - 62851.85 57395.21 120431.34 - - - 22999.88 185677.22 81560.67 98077.84 98502.34 75581.62
N-arachidonoyl alanine
463416.00 365242.00 283459.00 150639.00 169164.00 301439.00 114713.00 252743.00 261611.00 172068.00 299927.00 185924.00 378662.00 251022.00 284760.00 335044.00 468886.00 357104.00 344572.00 422723.00 462405.00 344528.00 434782.00 488587.00 459935.41 294482.09 455653.62 466542.84 363714.41 316475.91 383619.44 297391.19 534411.19 315501.25 279189.47 407771.25 168905.00 362334.44 220615.88 150606.75 230488.14 260128.69 290681.00 460147.69 148853.00 176870.12 193502.92 163113.16 285920.53 494697.81 491207.25 422116.28 377713.47
N-Formimino-L-glutamate
37762.00 34052.00 22988.00 47983.00 34820.00 50395.00 75388.00 45633.00 115947.00 86412.00 56114.00 88354.00 42951.00 38716.00 100899.00 32789.00 63663.00 114948.00 138996.00 109438.00 113068.00 132496.00 72593.00 61903.00 23695.20 24897.79 - 22055.20 63027.62 80921.45 99067.32 127311.56 75316.32 124118.34 125016.98 80115.96 23039.00 30829.56 28668.63 31640.43 - 47326.38 21306.73 43826.18 169378.09 58480.04 47169.92 43163.23 164748.75 67599.38 77765.23 76146.76 51590.47
N-hydroxy DAP
244743.00 161465.00 113932.00 738700.00 208177.00 380586.00 938480.00 111890.00 163727.00 307566.00 109705.00 285161.00 272599.00 381548.00 313153.00 181187.00 162918.00 396962.00 478562.00 116189.00 133200.00 256624.00 221649.00 116885.00 250928.47 139233.47 133579.48 182738.55 161217.14 147060.59 231756.66 445585.09 108281.08 174234.66 184338.70 216675.58 99407.00 126297.00 149274.66 259311.62 128737.16 153769.61 172395.20 174062.09 708784.38 203195.45 160830.55 121308.55 610311.00 87302.97 374977.69 403379.44 422283.41
nicotinamide guanine dinucleotide
26304.00 279072.00 109895.00 254219.00 344501.00 234882.00 340302.00 266911.00 317863.00 221885.00 198738.00 352695.00 366223.00 401693.00 457492.00 498527.00 122187.00 294071.00 350789.00 340271.00 102190.00 218075.00 227021.00 221391.00 153888.80 444309.09 447849.75 328908.88 147513.38 365754.47 406565.88 365463.06 184136.86 231716.58 190404.92 199064.25 118362.00 102742.91 198651.36 425631.69 361341.53 258894.67 113704.11 544616.38 383405.72 270383.00 415528.66 201880.78 321093.38 196618.20 189438.06 190336.44 188177.89
NicotinamideN-oxide
- 431729.00 38336.00 1611600.00 1678649.00 1003036.00 4362155.00 1050746.00 1917254.00 2876806.00 595777.00 2514358.00 3091342.00 1982663.00 2461687.00 2005632.00 170749.00 2249289.00 6326354.00 1406123.00 788720.00 5498253.00 1716474.00 735836.00 689329.50 1257701.12 2822866.00 922977.00 211025.75 1069561.75 1360085.62 1351247.50 434598.66 748562.88 487752.06 613453.81 752747.00 167054.61 1471175.50 3706504.75 667691.62 302494.12 348766.97 1639852.38 3880344.50 461360.25 2376430.50 250532.58 2024598.12 1335278.75 1392157.75 1415097.38 1284584.62
Nonate
244669.00 310441.00 180916.00 1204951.00 215734.00 277749.00 443475.00 142586.00 161483.00 293683.00 152389.00 261914.00 509307.00 549390.00 962329.00 333980.00 191611.00 341843.00 465503.00 209175.00 229940.00 239802.00 272198.00 147587.00 214910.16 416431.47 337898.31 329558.69 270031.44 271356.38 351320.16 461026.16 208310.84 325732.09 190195.89 318401.62 101180.00 125168.15 171784.45 296582.12 327961.12 328035.88 137922.73 632336.81 719639.69 278703.28 326102.28 245072.59 1550204.88 643278.81 618441.75 575196.75 714753.62
N-Succinyl-L-glutamate
71021.00 34921.00 56739.00 - 93018.00 101413.00 56977.00 83727.00 95496.00 36279.00 117335.00 40509.00 115754.00 150469.00 106492.00 140054.00 187754.00 121551.00 289832.00 204921.00 195741.00 167327.00 233381.00 187822.00 126334.62 92880.84 148458.78 112617.40 138394.84 164876.17 195403.39 241173.89 187109.27 135215.53 181690.17 155609.28 61937.00 74973.98 23238.67 - 30483.38 50456.80 60745.64 71440.48 129128.27 103744.02 108545.92 58255.42 351940.91 126253.66 125851.71 111434.90 104687.22
N-Undecanoylglycine
40020.00 25505.00 24328.00 22104.00 203482.00 486461.00 228011.00 336687.00 341958.00 224015.00 374786.00 211281.00 681999.00 541293.00 406565.00 430116.00 1194515.00 1031662.00 1316692.00 1170032.00 949207.00 1170840.00 942276.00 925394.00 462090.38 355561.66 388049.62 386567.97 923697.50 659448.25 762592.50 914495.12 943320.38 546735.88 910921.38 705736.38 122444.00 177007.27 125867.75 131531.05 111127.41 168370.28 188857.17 348143.97 332970.81 404931.12 277655.44 280683.56 718103.62 710554.19 709990.56 744717.69 603325.62
N-Undecylbenzenesulfonic acid
440856.00 232252.00 506220.00 179900.00 140741.00 174040.00 170831.00 138681.00 187603.00 101572.00 168141.00 76404.00 473813.00 310508.00 774109.00 568683.00 728419.00 933191.00 1169759.00 846817.00 845982.00 563051.00 970081.00 711250.00 549450.25 312233.97 570929.88 601737.88 648411.38 527079.56 1055609.75 894730.69 384793.44 243053.34 384285.34 631772.38 40613.00 52358.45 51597.99 26807.16 164060.16 210680.53 330658.69 215991.59 121970.21 412986.94 233663.92 157864.50 532071.69 741065.56 716149.88 768363.31 537754.56
N-α-acetyl lysine methyl ester
162262.00 127590.00 201939.00 71644.00 1170368.00 1999160.00 1281607.00 1141768.00 2024185.00 1557090.00 1836675.00 1107768.00 2863131.00 1928540.00 1793680.00 1809245.00 29361904.00 29750336.00 17384628.00 13808778.00 46027992.00 47190940.00 34760560.00 26575670.00 1162083.88 912472.25 1895772.62 849748.31 4882860.50 4470400.50 7137378.50 3967296.00 12587453.00 6554716.50 12533295.00 11415575.00 429109.00 595928.12 513223.72 389637.84 364577.28 410981.38 458718.28 503300.69 429749.69 1734445.50 806481.69 706538.19 9007989.00 11252299.00 11232571.00 11126090.00 7026947.00
O-Acetyl-L-homoserine
207253.00 121949.00 137186.00 62474.00 144851.00 202414.00 101480.00 162306.00 202153.00 144457.00 224200.00 132349.00 299916.00 207161.00 283301.00 344784.00 388699.00 347769.00 306786.00 380126.00 287282.00 267182.00 395509.00 363930.00 343290.38 249960.36 343842.34 328435.53 309674.72 251882.19 378547.72 343266.97 375814.91 241804.22 254192.94 302954.22 101273.00 202194.14 137699.20 86345.06 110931.27 152194.45 179242.11 209866.02 78135.32 122491.70 171526.77 99683.05 394619.31 833929.31 877896.50 885106.38 245241.64
O-Acetyl-L-serine
528416.00 332142.00 332132.00 185039.00 459852.00 672746.00 353995.00 469896.00 512103.00 364488.00 493007.00 319328.00 1045378.00 893222.00 1010130.00 952120.00 1311158.00 1263257.00 1240452.00 1161174.00 1124818.00 1125691.00 1136256.00 1076332.00 946969.56 672001.00 888509.06 884561.06 1015549.19 997226.00 1294395.38 1003937.50 1027200.19 610434.31 789671.94 906788.44 267477.00 447893.56 338101.25 236137.00 283131.47 418570.38 519042.00 498815.47 308535.03 526771.56 583527.25 341772.69 1303970.88 2972359.25 2790617.25 2765086.25 804326.88
Octadecanoic acid
204694.00 131669.00 170928.00 86313.00 80315.00 131619.00 97101.00 83026.00 95626.00 59019.00 98152.00 48577.00 344890.00 321520.00 360418.00 309229.00 560526.00 663134.00 556583.00 435264.00 794371.00 526937.00 747749.00 445850.00 396236.97 282288.28 394386.59 324842.00 375893.16 324046.88 411968.75 320679.91 262883.06 128609.38 214591.97 229435.64 31411.00 45752.71 55517.06 49052.45 91892.54 140326.72 141322.56 125718.62 62900.99 166963.36 103443.60 63421.85 339471.38 849627.31 905608.00 887699.75 303951.31
Oleoyl-CoA
307291.00 244847.00 322647.00 111340.00 361564.00 544963.00 298537.00 364648.00 669090.00 431356.00 509736.00 299589.00 1030154.00 830713.00 898492.00 944890.00 1251031.00 1648067.00 1631836.00 1215715.00 1637975.00 1499222.00 1865113.00 1276519.00 744050.81 495512.22 711121.94 582036.44 933693.69 849474.06 1519754.88 1288167.50 1070242.88 676703.75 879461.44 1043746.56 145750.00 254032.50 194127.69 122137.40 162992.14 253907.47 303131.31 300384.81 293088.81 727112.62 577080.88 372334.78 882582.06 1573548.38 1568009.75 1553161.38 876922.50
Ophthalmicacid
207160.00 164041.00 303803.00 90409.00 333259.00 470623.00 326681.00 317285.00 403538.00 287384.00 440040.00 232591.00 2808542.00 2073375.00 2519631.00 2592687.00 2539293.00 2858617.00 2398334.00 1959777.00 1532282.00 1722425.00 1714849.00 1309812.00 1825160.25 1390525.12 2237879.75 1730828.50 1618509.62 1289933.00 1858931.75 1590429.75 967069.44 564116.75 871183.25 979175.31 238303.00 341915.78 327069.97 189625.12 509386.50 845117.81 960086.12 988673.19 297318.91 650439.38 605841.50 373982.91 1523644.50 2707223.50 2739149.75 2647692.25 1148736.88
Orotate(Fragment)
652434.00 486197.00 620050.00 317337.00 978718.00 1273392.00 843887.00 847296.00 1075866.00 818696.00 1008572.00 722000.00 2561421.00 2207872.00 2667642.00 2460234.00 2960257.00 2971025.00 2315239.00 2443296.00 2431873.00 2830256.00 2344573.00 2051131.00 2375223.50 1678685.38 2222157.50 1737622.75 2289282.25 2206483.50 2364528.25 2060666.75 2062748.50 1452048.38 1792619.62 1625772.88 628649.00 809235.81 760395.69 467420.97 914912.31 1093515.62 1213647.12 1092050.00 640012.06 1509677.50 1075353.88 954463.69 2183840.50 3436438.75 3451267.25 3447933.00 1666623.62
Orthophosphate
5969.00 5193.00 10499.00 - 24596.00 45756.00 57994.00 25275.00 31032.00 14892.00 23204.00 12526.00 94067.00 163389.00 107540.00 78574.00 116957.00 204968.00 99687.00 107713.00 195076.00 73946.00 151847.00 92279.00 89444.29 68071.29 110042.33 94744.73 131134.31 90124.17 134270.02 81323.91 49547.93 35131.70 44316.27 76298.67 14859.00 14723.69 18670.48 14108.28 21555.18 24222.89 35940.00 25446.94 10999.98 33983.79 23023.44 18590.71 109452.12 152638.56 138880.56 135150.77 125527.71
Oxalate
92587.00 45691.00 69255.00 16672.00 37013.00 84172.00 37967.00 52891.00 75643.00 35243.00 55590.00 37804.00 88461.00 147514.00 61992.00 67766.00 157573.00 216258.00 113615.00 143478.00 457863.00 113622.00 298590.00 197706.00 84998.02 72710.15 70020.72 90516.98 192983.19 100870.38 162451.58 86981.14 117421.98 82484.34 94921.80 206492.20 28044.00 75138.52 37626.09 27311.21 31443.36 35990.80 37617.55 37627.52 23510.77 51160.23 67640.80 43602.05 279927.47 664922.62 703897.50 696282.25 239696.06
PA(32:1)
27961.00 28621.00 23845.00 13604.00 28449.00 33424.00 18049.00 20724.00 27066.00 27095.00 21125.00 22582.00 30913.00 30092.00 18984.00 21490.00 40985.00 22833.00 25613.00 36118.00 20132.00 39795.00 25053.00 20065.00 32740.53 35027.37 17759.53 21564.42 26335.51 37559.80 21255.47 21318.09 36568.92 36474.27 17483.76 35746.34 27069.00 34198.42 29758.62 24105.90 23489.50 28688.68 33275.30 34463.04 17962.68 15485.37 24633.26 31439.91 66291.13 81756.09 103134.41 79920.69 30049.81
PA(32:2)
- - - - 60017.00 65444.00 33126.00 28790.00 64742.00 64922.00 78082.00 21022.00 142634.00 102200.00 174346.00 148923.00 297567.00 378305.00 437068.00 343732.00 353469.00 317291.00 401580.00 283110.00 117458.69 85667.92 147516.20 127030.85 258017.94 231787.22 404713.00 332796.16 171775.77 93175.41 180176.64 187296.58 - - 17859.95 - 25364.23 77497.73 102293.15 96716.23 119112.95 289555.44 188149.36 103481.26 200724.86 461101.19 450492.44 453831.78 182389.36
PA(34:1)
- 167502.00 - 710744.00 59149.00 31990.00 296915.00 35408.00 76412.00 201904.00 - 170309.00 1809874.00 1551978.00 1201032.00 1135142.00 - 347878.00 1541034.00 238286.00 76721.00 696331.00 156518.00 70611.00 189110.19 422791.22 1010786.88 270598.38 - 192238.66 271863.03 555738.50 31530.13 71023.33 25338.81 55305.28 43365.00 - 129197.03 362269.25 160262.86 76416.55 75164.58 669767.19 585099.88 32607.54 226998.27 - 473588.56 305314.75 321336.09 245066.05 317420.25
PA(34:2)
- 48412.00 23156.00 - 148572.00 173404.00 69741.00 83063.00 127898.00 179321.00 201907.00 227193.00 - 249637.00 - - 94601.00 147757.00 - 73262.00 67600.00 75129.00 181953.00 159703.00 185321.89 66270.90 - 41448.42 28346.43 54660.03 70691.23 - 117989.59 162445.25 159768.23 151761.64 71711.00 26562.63 80591.50 71682.04 67958.34 70643.16 60639.46 - 206906.80 123607.36 291581.12 149222.25 194262.12 130712.71 110748.14 114440.31 130406.34
Pantothenate
325877.00 161601.00 389898.00 127606.00 168693.00 316863.00 289041.00 210438.00 247234.00 146617.00 233947.00 116085.00 849161.00 823110.00 997499.00 920084.00 877199.00 1116842.00 968404.00 832669.00 935373.00 518678.00 847966.00 574311.00 704189.69 522288.00 781635.25 636234.94 433698.16 401414.88 598910.31 440329.56 305675.47 230489.31 299060.72 316228.75 129148.00 196984.22 187607.06 125276.64 161568.05 227692.50 272381.47 178437.80 81751.84 209911.84 189789.53 111821.84 617597.38 891401.56 892700.25 840876.12 579410.12
P-DPD
411795.00 205647.00 182988.00 133008.00 137063.00 240859.00 92496.00 175273.00 192002.00 97228.00 175886.00 119143.00 228219.00 161880.00 162112.00 294722.00 330928.00 236412.00 214703.00 238706.00 268883.00 205338.00 338006.00 378796.00 296287.66 199033.25 230146.83 302451.38 262935.78 174697.52 207975.56 209401.11 269576.41 168651.36 160578.45 274191.09 75174.00 267267.59 146186.58 89971.88 151812.00 189375.20 252495.39 352397.00 - 122534.34 120688.47 78662.42 224806.59 453449.22 414750.19 411362.62 248178.92
PE(32:0)
205954.00 117725.00 99155.00 69339.00 99993.00 125028.00 109076.00 150582.00 96750.00 115785.00 75846.00 82497.00 119504.00 141215.00 104101.00 89229.00 129636.00 119141.00 103358.00 106141.00 139539.00 108507.00 104808.00 79457.00 100262.52 110809.84 102458.12 95726.75 127097.96 123121.18 141505.23 114421.45 84303.40 117532.97 93202.10 83386.67 92189.00 118102.84 108208.41 94476.80 110367.04 114636.89 99695.10 348997.47 129568.89 129826.27 112016.91 118495.16 1921554.25 104696.22 119146.67 98854.05 113445.77
PE(32:1)
2558952.00 1563845.00 1453797.00 1235481.00 514694.00 1092386.00 582023.00 1012746.00 1140415.00 673735.00 1172660.00 884815.00 1761218.00 1023465.00 1513929.00 1862665.00 1214753.00 744228.00 1194164.00 987994.00 924331.00 797197.00 1016982.00 1460351.00 1843487.12 1728388.12 2358812.75 2393302.00 1143565.25 608115.94 952163.06 1225206.00 1365373.00 1034856.69 764449.56 1281638.25 732500.00 1742852.62 1188372.50 1043365.38 993436.75 1319455.25 1484234.25 2072890.62 611995.62 330899.53 767134.62 432212.88 2590310.00 1239266.38 1334968.75 1204663.50 1219786.00
PE(32:2)
3521341.00 2317294.00 2207459.00 1411047.00 1559091.00 2524159.00 784366.00 2347453.00 2825157.00 2057190.00 3044702.00 2204569.00 1285880.00 942556.00 704528.00 1567035.00 2168307.00 1281102.00 1798581.00 1838531.00 1972052.00 2233154.00 3055373.00 3748760.00 2096503.50 2063466.12 1423176.38 2095034.00 2436051.75 1650641.25 2328773.25 2204390.75 5269359.50 4132868.25 3494571.25 4387417.50 1254409.00 2891732.75 1775923.50 1129091.25 1467157.38 2026581.75 2067963.75 3247570.75 1392196.50 1960927.88 2875450.50 1510785.75 3033856.00 4665833.50 4642511.00 4511301.50 2403230.25
PE(34:1)
327839.00 217810.00 214966.00 116007.00 429612.00 579322.00 458143.00 432336.00 550072.00 446006.00 562314.00 373947.00 792606.00 675207.00 907444.00 1165517.00 1211605.00 1374573.00 1247020.00 1474400.00 1254342.00 1467628.00 1317512.00 1343476.00 731826.00 599566.44 1094002.88 788657.38 977118.50 1174110.12 1440830.88 1453453.62 1007414.31 691940.62 1026038.62 981017.38 223595.00 454717.25 302213.94 254287.58 208608.67 323433.97 435911.28 461489.16 232324.72 580422.75 547664.19 398770.31 2410820.25 1299672.75 1446463.00 1470876.12 407678.19
PE(36:2)
146520.00 103710.00 73259.00 37581.00 211263.00 233214.00 222411.00 250812.00 302369.00 176147.00 231633.00 165327.00 345361.00 286609.00 397670.00 403837.00 555474.00 453332.00 458717.00 561739.00 367144.00 523376.00 547987.00 459871.00 318302.84 260159.64 390596.69 326960.16 383081.03 400753.59 507564.19 498686.41 462765.81 335391.72 366993.00 399768.19 69014.00 165190.70 122925.69 97526.78 119125.90 150344.67 169268.77 197944.38 169009.75 227092.33 241298.45 151899.06 500244.81 1070796.25 1099810.25 1063025.38 307469.91
penem CGP31608
130959.00 68849.00 67712.00 29907.00 108143.00 148259.00 96163.00 113534.00 113361.00 77938.00 112975.00 84683.00 227542.00 207883.00 255325.00 281852.00 266272.00 292887.00 277574.00 268147.00 234307.00 197863.00 226135.00 194966.00 238674.73 192492.30 231166.19 221365.00 213978.27 217689.58 264864.31 247036.55 173773.48 110610.80 159116.61 146735.50 37937.00 97446.53 74362.65 59695.66 63515.48 90781.73 108141.66 98933.68 91107.10 121887.23 93712.38 79078.55 178244.39 167285.53 188859.61 182892.70 177854.12
Pentanoate
13381.00 - 7620.00 - 17665.00 21883.00 8129.00 15977.00 20585.00 8605.00 17101.00 18080.00 30003.00 28994.00 28287.00 40002.00 82144.00 94304.00 47635.00 60280.00 104059.00 113604.00 85304.00 64547.00 33158.83 21809.52 36667.65 26128.35 52407.28 36786.24 47318.34 41740.56 53724.86 17705.98 41978.18 40287.98 5264.00 12647.18 9059.38 - 6413.36 12172.52 15660.40 9836.36 7652.17 17903.80 17566.18 14941.31 45194.15 86745.40 76408.73 94992.96 32676.65
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glyce...
38703.00 29066.00 31884.00 13419.00 51178.00 61505.00 45923.00 50785.00 55805.00 39822.00 57894.00 34708.00 90082.00 86364.00 101870.00 111090.00 120727.00 110567.00 130704.00 129051.00 104947.00 98642.00 123488.00 111814.00 95860.24 61500.46 99190.23 94974.75 89302.21 92484.70 122705.09 107678.80 97932.13 62864.47 78271.08 91373.28 23107.00 46421.75 34888.70 11969.30 30689.53 41088.81 47082.44 55037.95 22582.07 48510.00 40445.95 41530.86 113125.70 189951.48 236378.44 197973.62 76824.28
PG(16:1(9Z)/16:1(9Z))
82263.00 57333.00 65347.00 53645.00 55609.00 71731.00 62736.00 73137.00 69571.00 74976.00 72265.00 63133.00 65771.00 62502.00 65252.00 71380.00 98875.00 70264.00 59782.00 84949.00 74572.00 83964.00 73085.00 88855.00 80000.14 55179.44 66767.96 67338.98 98720.39 63582.26 80312.11 88431.52 89374.20 68248.35 56751.18 91348.07 67285.00 66069.24 62071.47 64837.20 79677.37 74892.41 65287.57 75865.94 54610.11 70219.73 61421.25 62317.11 123028.48 167515.73 172986.72 180866.31 71529.53
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-...
24105.00 25331.00 27770.00 12936.00 6057.00 11632.00 21052.00 6182.00 14058.00 - 6533.00 - 60373.00 74717.00 90874.00 84771.00 98549.00 125850.00 76811.00 64556.00 69112.00 45199.00 53769.00 27170.00 71564.60 60501.92 99052.01 75413.16 78843.15 70382.68 87387.91 70465.47 51553.20 26602.40 27423.43 48863.55 - - - - 26261.31 33294.93 44317.02 39605.75 12532.47 43693.99 26040.78 23825.65 63776.32 89695.16 95388.39 96008.13 63086.32
PG(30:1)
71712.00 50809.00 54301.00 37873.00 58174.00 91122.00 55150.00 62621.00 59575.00 45061.00 52304.00 38431.00 112813.00 133954.00 124229.00 105434.00 136484.00 182036.00 134997.00 163089.00 130712.00 115864.00 145439.00 115041.00 98235.26 98807.98 126307.90 116915.65 148537.50 128447.02 188365.48 120405.41 91912.96 81340.34 80811.12 110003.61 36664.00 58046.49 47203.34 40533.21 41583.50 54679.05 70299.72 62927.24 34480.47 65958.50 71623.43 41581.97 84182.16 121218.44 137274.52 124905.02 114114.55
PG(32:1)
270621.00 250345.00 218805.00 171627.00 134535.00 160051.00 105153.00 156447.00 190983.00 181294.00 178350.00 158541.00 116796.00 102581.00 102945.00 122762.00 170164.00 117281.00 127374.00 158718.00 165561.00 157796.00 229533.00 200376.00 128319.95 137377.31 116763.85 128378.16 178818.16 138562.61 174328.98 150990.38 235678.62 215864.83 200563.47 238769.78 119180.00 185564.72 126690.38 113847.90 141515.72 127068.90 127759.96 178431.30 117624.65 180322.88 199746.00 180878.44 184235.22 194030.14 177855.11 180513.16 173879.62
PG(32:2)
- - - - 5085.00 16074.00 20550.00 13497.00 18496.00 10343.00 21737.00 11125.00 39525.00 41830.00 95412.00 136798.00 161297.00 227023.00 359043.00 242672.00 149947.00 127974.00 148029.00 133352.00 41176.05 21949.29 110879.80 114913.78 88363.70 126829.10 335769.06 151446.11 55850.00 24210.76 61377.31 65519.95 - - - - - - 13337.52 30371.73 10450.29 19237.86 20538.60 4161.70 54946.66 79253.79 81937.43 90843.30 62329.84
PG(33:1)
410975.00 165528.00 183093.00 102424.00 109349.00 125647.00 - 108547.00 83994.00 58626.00 142344.00 94697.00 80905.00 58876.00 78433.00 122010.00 182614.00 37880.00 36378.00 121623.00 128548.00 59478.00 141993.00 260082.00 257890.00 164909.62 146645.06 239429.30 191469.44 111295.05 95041.55 97865.49 165599.81 105962.67 126008.73 157837.56 70647.00 217804.14 93237.52 49472.75 109307.20 182609.70 196490.81 371340.47 - 63004.70 74062.54 49623.89 314752.56 225547.28 238760.20 232483.53 155760.22
PG(34:1)
454223.00 390870.00 393245.00 384509.00 378303.00 545462.00 296151.00 392618.00 380450.00 385164.00 426649.00 390758.00 334993.00 326461.00 356068.00 302967.00 400654.00 389786.00 418673.00 394210.00 363217.00 499266.00 387882.00 478896.00 387802.16 347308.25 325720.41 284756.16 463336.34 450698.03 404833.69 371558.31 565644.94 472502.47 464201.66 476236.28 392894.00 406563.31 372960.53 358552.03 301060.84 337333.03 270770.78 681519.25 268984.12 476786.25 467362.84 459963.06 574425.56 512074.44 492876.28 518376.34 465251.44
PG(34:3)
- - - - - 58678.00 - - - - - - 75278.00 45962.00 72199.00 98793.00 97076.00 79389.00 109920.00 122798.00 109508.00 67266.00 100164.00 137305.00 64992.81 30551.05 97609.47 81925.84 78432.44 115710.90 84162.12 88752.90 113243.58 45631.07 71772.27 88854.44 - - - - - - 30754.05 34268.95 - - 28539.49 - 240151.48 118999.27 111057.06 122252.11 68881.04
PG(36:2)
672357.00 6540166.00 1292225.00 40354548.00 3065860.00 2953205.00 9254778.00 2681159.00 2835628.00 2992676.00 1453115.00 9161561.00 22619344.00 17587012.00 20380416.00 21683938.00 811061.00 2872163.00 22936206.00 3695133.00 1807027.00 7224655.00 1797421.00 2780244.00 1278298.50 8674527.00 14071694.00 5927013.50 1564307.50 3731136.50 7368677.50 6878653.00 1911662.38 2538695.50 1382004.88 1853404.62 1231962.00 632990.56 2480550.00 11380323.00 7030390.00 1762393.62 955110.62 27845028.00 30597838.00 1482826.12 4673087.00 1188725.50 15368569.00 6945818.00 7585935.00 7201095.00 7775447.50
phe-FMDP
51292.00 - 31720.00 - 84413.00 98408.00 72830.00 65320.00 94510.00 46815.00 81775.00 64717.00 63287.00 110330.00 130512.00 215530.00 253371.00 262906.00 260143.00 242701.00 281511.00 109651.00 209599.00 211882.00 128414.49 106793.86 164468.55 171729.00 151652.28 193000.91 133366.44 153151.73 98113.16 124629.84 206191.56 115586.48 - 43427.97 63404.04 - - 53101.21 39703.43 59701.68 57394.71 152696.58 75159.78 66499.60 34382.39 - - - 86975.80
Phe-Gly
90341.00 26930.00 44541.00 - 107027.00 130257.00 122066.00 115343.00 146024.00 101437.00 108153.00 64331.00 120847.00 168557.00 202148.00 210466.00 245975.00 250086.00 298603.00 264585.00 280602.00 248552.00 273032.00 272182.00 140115.64 137366.34 177957.39 147230.67 195358.75 245882.56 329711.91 248100.62 200193.64 142654.98 232982.62 200313.80 33245.00 85778.35 58229.55 28865.78 30096.63 62488.14 99101.13 95804.77 104809.00 114560.16 106060.51 82795.76 27334.42 34836.98 32838.31 27921.54 142438.33
Phe-Gly-Pro-Pro
14126.00 10147.00 - - 13309.00 29255.00 - - 31447.00 14889.00 26309.00 12586.00 69367.00 47652.00 108381.00 77237.00 43684.00 88201.00 88013.00 100268.00 156587.00 97268.00 100770.00 77306.00 65424.30 34710.27 63744.07 63828.64 58044.41 36010.84 97962.40 61067.13 38743.46 30831.75 64534.46 62409.12 13982.00 15463.47 14041.06 13052.54 11088.08 21970.97 16068.42 23412.59 21684.69 17468.60 33788.02 21943.00 84187.74 186395.25 206946.41 196789.16 70888.09
Phenylacetylglycine
54228.00 31450.00 43205.00 23879.00 30086.00 56914.00 42152.00 39179.00 43028.00 31236.00 34573.00 28226.00 78916.00 106434.00 90013.00 73217.00 106449.00 135160.00 96705.00 109899.00 96393.00 68637.00 104718.00 90193.00 54314.35 58839.05 78879.12 70332.66 107720.16 85991.14 126463.83 75576.23 62408.43 50833.43 60585.70 74915.65 28647.00 43224.34 28891.87 30578.93 25288.66 34015.99 40646.84 37422.22 28641.81 44602.58 49132.93 33622.53 63349.91 85536.35 93436.32 95457.88 84412.81
Phenylalanyl-Threonine
57613.00 242243.00 57159.00 88277.00 62075.00 95213.00 547473.00 41939.00 181349.00 696550.00 42497.00 194478.00 308938.00 137776.00 439722.00 160469.00 72608.00 299502.00 321982.00 20772.00 30132.00 126163.00 61695.00 58000.00 131247.33 52450.88 66759.50 92653.97 163640.55 64149.53 108514.29 400841.94 54881.65 79117.95 43335.31 128940.16 187859.00 85972.52 67107.96 225430.00 104690.55 100333.51 46333.19 232126.61 159177.45 72698.58 89042.00 101927.58 266599.72 200237.53 160037.08 147582.20 126480.68
Phenylalanyl-Tyrosine
- - - - 52639.00 79108.00 36726.00 38994.00 39638.00 - 76283.00 28280.00 102351.00 97505.00 112502.00 124261.00 145670.00 186674.00 177770.00 173650.00 106369.00 108401.00 138313.00 142915.00 122118.13 49290.48 148218.28 119774.76 131791.69 156919.80 205405.05 170327.25 108229.55 37074.93 87069.45 106665.15 - 36219.91 21249.23 - - 28024.64 65711.58 69254.91 - 34835.64 29713.82 35490.96 103641.80 152052.03 153620.05 157487.28 87410.64
Phenyllactate
- - - - - - - - - - 30100.00 - 109811.00 58107.00 194303.00 197316.00 187102.00 128250.00 220647.00 154760.00 209835.00 166978.00 172678.00 147721.00 59776.84 - 126668.70 162794.91 56923.19 61634.09 221031.72 137646.41 90684.52 41680.74 65890.38 97137.25 - - - - - - - - - - 32307.30 - 120844.56 365705.38 318237.94 298917.47 93647.73
Phenylpropanoate
472381.00 350361.00 315286.00 188909.00 501910.00 691088.00 417511.00 547175.00 633668.00 410403.00 649834.00 425454.00 873912.00 720753.00 948814.00 1105649.00 1597970.00 1539438.00 1630930.00 1554553.00 1307248.00 1470058.00 1653331.00 1602792.00 873087.38 659516.31 1029480.69 993085.50 1235652.50 1263305.88 1713153.12 1531336.38 1363079.75 800703.81 1171676.62 1286885.62 301175.00 472440.31 353037.69 215708.36 341225.22 410372.94 518742.66 584932.06 410436.12 693612.56 645113.62 421002.19 1293893.00 1948032.88 1871360.12 1971808.25 993129.69
Phenylpyruvate
110588.00 61255.00 70174.00 92907.00 89487.00 114318.00 84436.00 62394.00 94995.00 103344.00 85662.00 89823.00 111688.00 108156.00 89688.00 80936.00 168960.00 117458.00 180756.00 164221.00 141450.00 119672.00 146952.00 179101.00 70796.75 110233.08 116252.55 109446.69 121392.28 110843.57 122901.22 125397.73 104214.27 111526.08 87900.85 142535.19 66578.00 106596.43 68550.72 57405.21 85063.55 87984.30 90553.72 69531.76 71813.06 99721.29 83410.96 82721.15 281229.94 157367.64 186301.17 138766.36 139574.92
Phe-Thr
3612272.00 942312.00 2641929.00 951905.00 1219161.00 2050437.00 929152.00 2515591.00 1800209.00 1309411.00 1278147.00 761696.00 1003731.00 837745.00 1199674.00 660419.00 2739564.00 1473738.00 1771038.00 2736464.00 2258744.00 1330414.00 1464577.00 1007946.00 1360288.88 1042271.31 866948.00 1334477.00 2318153.25 1993269.75 2001271.62 1381047.25 1744232.25 2137130.75 1912572.38 1247099.00 912829.00 991976.88 802792.44 681535.00 747274.50 767973.94 1056324.62 2048463.75 1095635.75 1632871.25 1625471.88 1204976.25 2789953.25 1737419.25 1580399.75 1738670.38 1092434.88
Phe-Tyr
6473.00 - - - 31430.00 65819.00 21095.00 32861.00 78691.00 32072.00 42487.00 17155.00 25315.00 35920.00 24012.00 32175.00 93696.00 106794.00 67295.00 57858.00 159828.00 116992.00 182385.00 133770.00 70682.45 45760.88 42258.10 43354.90 141398.36 166921.89 151671.70 104265.11 204019.06 119700.60 117605.40 177303.38 12704.00 28719.86 17611.37 5790.28 6386.82 14966.43 14869.30 16694.77 33116.71 82354.33 65150.96 29050.60 104548.57 147065.61 162341.59 145233.69 97022.90
Phosphoenolpyruvate
180486.00 180300.00 130280.00 305713.00 151966.00 169975.00 159971.00 91319.00 129174.00 101904.00 71121.00 119661.00 235662.00 262384.00 247545.00 159056.00 155639.00 229586.00 291884.00 154009.00 151956.00 193988.00 164238.00 109029.00 272776.97 318373.34 223428.45 192320.72 114034.38 132420.56 151332.59 183521.69 98824.23 141606.38 95246.22 131465.17 93546.00 94173.77 73360.11 118178.59 195357.11 201219.50 203780.16 374185.50 215632.44 118458.66 290113.78 138421.19 1252612.00 487350.06 396843.44 419248.56 376552.66
Phytuberin
82320.00 52815.00 50008.00 22452.00 55850.00 91047.00 54967.00 71316.00 77256.00 49277.00 86920.00 45646.00 127007.00 110705.00 144022.00 159308.00 173543.00 163364.00 162333.00 198708.00 147200.00 89311.00 165012.00 166598.00 165055.95 119949.45 199929.06 188041.91 141613.56 124947.45 186251.06 145928.52 109624.11 77176.10 82900.45 118094.30 39559.00 83563.66 50956.06 38648.92 43039.78 49192.54 71849.61 80750.05 27921.85 38368.73 56786.47 32692.21 132286.06 148135.05 166715.44 153348.66 112392.27
[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inosi...
133469.00 68161.00 70832.00 - 153522.00 141988.00 108390.00 160625.00 133138.00 107108.00 160127.00 122192.00 425454.00 290322.00 301935.00 324994.00 251983.00 229447.00 352663.00 300871.00 197731.00 159346.00 182557.00 255022.00 290142.38 213517.75 354931.00 333400.25 138944.09 132261.55 185115.86 204283.69 168111.03 131095.52 95458.90 140824.42 103825.00 200972.98 183223.48 159352.00 - 84814.41 113653.81 112111.47 45079.12 25579.03 98942.46 19849.08 453874.88 272103.06 251121.78 231247.67 87590.09
PI(32:3)
154999.00 139594.00 172130.00 126846.00 144667.00 201857.00 281510.00 170646.00 205734.00 155375.00 162143.00 138504.00 220478.00 296401.00 181763.00 127647.00 170752.00 235345.00 151899.00 162157.00 260762.00 179450.00 226661.00 169337.00 187172.47 174080.28 177907.42 163922.36 243554.70 194219.50 186707.05 132217.03 150749.80 169886.89 137622.56 232563.48 156715.00 170588.73 158209.06 181282.62 165686.02 154512.84 158859.16 125768.58 131662.59 178327.28 190260.06 143089.84 300866.19 374848.47 392878.53 380004.62 279225.88
Picolinamide
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
PIPES
168394.00 170545.00 198296.00 89708.00 474796.00 686946.00 502317.00 499427.00 525816.00 336298.00 554861.00 411449.00 598953.00 563499.00 524522.00 521778.00 908030.00 885738.00 825847.00 946690.00 779282.00 928587.00 1086119.00 848521.00 598852.81 446084.28 570773.31 436083.84 818721.81 727593.94 1207693.62 914484.12 1087238.62 597898.88 930502.88 832594.31 256650.00 368453.69 332911.56 200766.56 199256.91 215737.69 265785.75 280453.56 260401.20 525235.44 440409.25 390606.75 799512.81 2257072.00 2254757.00 2115560.25 638009.75
p-Menthane-3,8-diol
76517.00 181801.00 126527.00 219896.00 295087.00 234085.00 393050.00 316080.00 267443.00 490865.00 340951.00 442802.00 236593.00 135294.00 164369.00 278422.00 83745.00 204494.00 279344.00 166430.00 185680.00 367937.00 181117.00 219744.00 240026.00 198043.06 345160.97 231819.09 164309.94 307073.22 358019.81 330261.88 220856.69 303354.34 272715.78 293633.34 160136.00 138369.81 267849.97 411816.38 185941.59 142280.42 138749.25 325760.91 178744.97 283386.03 224649.77 265877.44 57096.47 205428.89 194006.86 234155.08 207985.84
Polypropylene glycol (m w 1,200-3,000)
48689.00 - 35223.00 - 83897.00 77552.00 - 32934.00 106463.00 91644.00 87115.00 114285.00 108524.00 179066.00 167448.00 172476.00 192059.00 184282.00 297260.00 162644.00 114077.00 220314.00 156583.00 150031.00 87337.76 134500.56 107692.88 79228.79 97088.51 183344.61 121517.63 166207.92 148550.39 168721.45 151034.80 123673.36 33219.00 59692.80 69145.59 63815.50 - 32653.75 26788.29 - 241784.78 153888.95 175984.33 88520.54 193966.39 94270.43 108512.28 106966.05 113978.81
[PR] 1^-Hydroxy-4-keto-gamma-carotene glucoside/ 1^-OH-4-Ket...
182055.00 55110.00 58994.00 38776.00 129800.00 160065.00 83401.00 138702.00 123020.00 61511.00 151222.00 106451.00 244263.00 214810.00 219711.00 322156.00 331056.00 387978.00 362394.00 378631.00 269678.00 252276.00 370895.00 313904.00 299070.91 204852.52 324357.91 307193.16 278991.03 254766.08 372761.03 334062.34 239098.80 141529.72 132456.86 222201.23 53741.00 128719.49 117763.39 56121.81 72189.39 106915.05 129064.11 127065.73 45221.35 149661.47 124450.47 67934.53 255158.86 617179.75 614235.06 613903.88 194811.52
[PR] 2E,6E-farnesol
4733864.00 1006755.00 1595059.00 272701.00 559314.00 1109495.00 298560.00 661778.00 1437298.00 934800.00 2472280.00 666324.00 1191249.00 944800.00 775977.00 860811.00 4004534.00 1764466.00 1843572.00 1514987.00 3289838.00 3009196.00 3395756.00 4894563.00 954593.81 573188.81 910469.00 689827.50 2668791.75 1141015.38 1612912.88 1518085.88 11129775.00 2649038.75 3281109.00 5039638.00 408621.00 1899952.25 411941.28 177401.59 696226.81 1198002.38 909006.00 577568.69 480112.50 1462564.88 1438440.38 1005539.38 20958556.00 37813620.00 33618580.00 31628692.00 1524815.25
Pro-Arg
625813.00 470388.00 398821.00 298285.00 828213.00 1121668.00 627444.00 853002.00 1049629.00 707018.00 981398.00 676398.00 1338550.00 1561450.00 1539566.00 1968656.00 2437974.00 2440266.00 3069907.00 2524765.00 2140784.00 2256261.00 2556394.00 2405276.00 1746664.75 852783.88 1476516.12 1936998.62 1664849.00 1940041.88 2662829.25 1323291.25 1830716.62 1349478.88 1772231.25 2000599.38 444533.00 755459.00 592189.19 324035.28 523217.34 752652.19 866710.44 864588.25 634217.31 1015944.50 1019580.62 665618.12 5744533.00 2822384.50 2760988.00 2956890.50 1623752.75
Proclavaminic acid
73218.00 53514.00 75552.00 31752.00 126003.00 139582.00 97550.00 96758.00 173008.00 117769.00 163883.00 98649.00 160498.00 135677.00 148821.00 159681.00 297333.00 316477.00 242605.00 239933.00 371204.00 322314.00 440068.00 325767.00 209735.12 154061.69 192962.91 173967.59 235822.62 236904.69 260140.11 214514.52 301262.88 203446.64 223889.41 290333.75 69529.00 106384.02 82002.32 49132.40 65852.98 78979.47 86384.00 84583.58 89720.18 217392.81 149648.78 119539.22 230949.55 559743.12 559759.06 540467.25 188967.77
PS(18:0)
793977.00 2705440.00 1777878.00 4412018.00 767324.00 766825.00 944476.00 647031.00 566578.00 685213.00 602230.00 810965.00 150342.00 489065.00 387743.00 242299.00 218606.00 392441.00 334155.00 270425.00 157344.00 279728.00 340684.00 300313.00 527316.31 310855.00 392213.75 196011.42 148119.47 299683.69 287960.91 326002.12 354457.97 351433.59 313412.12 348302.00 834641.00 532214.12 845503.50 1009993.81 1122297.12 956289.50 1245835.38 1735759.25 538705.56 477414.00 733261.50 513311.25 1226705.38 856804.56 834966.12 756880.75 650061.75
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine
28360.00 145634.00 90151.00 201704.00 172374.00 168512.00 161291.00 110448.00 111406.00 239066.00 156476.00 244392.00 - 277963.00 143722.00 205617.00 85867.00 153558.00 115170.00 140254.00 35627.00 69997.00 165422.00 121507.00 257121.86 163533.67 223861.97 146822.69 53755.12 120605.72 115589.28 182999.41 138230.67 159557.20 148260.12 131234.25 127045.00 66691.50 156187.48 186458.88 155750.56 140778.97 81228.11 122592.23 139717.52 103343.78 208581.44 131390.08 107023.61 180325.06 220556.75 169176.78 163024.67
Pseudouridine
23741.00 12653.00 20872.00 - 46431.00 52443.00 51357.00 30718.00 46383.00 37318.00 58269.00 44426.00 86832.00 74006.00 79957.00 92604.00 107380.00 126104.00 106438.00 102852.00 107798.00 114826.00 83092.00 63241.00 71018.30 46474.16 71942.96 61765.04 79253.02 62670.71 126547.15 75959.07 71185.77 31244.85 47948.21 53996.91 - 14288.97 24628.61 - 18291.43 30150.75 28560.19 30403.82 23934.60 42666.99 31053.94 16219.51 267008.56 391571.12 378895.47 393054.09 69823.34
Pyridoxal phosphate
74847.00 39110.00 48901.00 - 93462.00 110246.00 174628.00 65438.00 86233.00 132419.00 105502.00 139142.00 99096.00 203447.00 255991.00 132918.00 87418.00 138585.00 109657.00 74822.00 92193.00 134324.00 125969.00 107161.00 104593.26 120787.36 75431.77 95210.92 115624.37 85421.73 103349.36 193213.34 168591.39 112113.37 138564.05 158373.11 62523.00 68441.69 85330.27 63558.59 58196.12 62135.66 26604.73 80186.57 104313.73 65857.22 158713.39 114601.31 208585.20 103336.80 99922.12 104095.53 89432.81
Pyridoxamine phosphate
27104.00 20646.00 52942.00 19082.00 43330.00 79520.00 44840.00 46997.00 64972.00 44390.00 61043.00 29782.00 405480.00 356716.00 662738.00 536572.00 442517.00 450812.00 427299.00 401351.00 361442.00 436131.00 380053.00 257647.00 274979.97 168817.89 420388.66 267341.53 199806.88 186950.17 242157.78 213324.95 170104.95 76424.03 135330.08 104181.57 23533.00 46853.15 43655.05 25424.91 39572.09 79629.21 106303.02 138102.59 37186.30 78278.24 72228.60 48696.96 246733.44 318915.84 311423.31 325777.56 194505.19
Pyrimidine nucleoside
21477.00 64411.00 24545.00 - 79952.00 86722.00 178243.00 55951.00 67774.00 80525.00 51664.00 37488.00 273391.00 275959.00 276217.00 216108.00 69817.00 210880.00 314625.00 139771.00 90478.00 193097.00 132846.00 91420.00 169492.75 127728.77 197025.41 84304.67 81197.09 175899.34 210731.97 292074.44 37285.55 38533.21 74523.59 65067.43 61663.00 40017.79 67716.86 106237.46 41196.52 46191.87 76002.64 87648.16 124730.34 21390.15 67138.34 22268.49 - 89563.65 108843.96 97699.21 96573.20
Pyrophosphate
96033.00 94574.00 100894.00 112706.00 117969.00 99798.00 94201.00 112501.00 93682.00 93429.00 110702.00 90119.00 95057.00 99235.00 100619.00 93223.00 101790.00 111156.00 114774.00 115984.00 90872.00 91442.00 100464.00 101116.00 103314.54 97176.85 101938.07 108681.31 97312.16 107130.12 108120.65 93756.53 95465.40 109588.38 134379.14 91672.77 119090.00 115337.41 100148.52 88908.23 99132.71 113241.41 116034.63 107296.14 119545.24 110370.20 114176.88 100164.27 106531.16 127521.60 114409.37 117014.22 108790.39
Pyruvate
502888.00 448831.00 447087.00 393129.00 486102.00 449062.00 486042.00 462214.00 504984.00 434447.00 463216.00 488335.00 474938.00 465761.00 469605.00 472322.00 501707.00 457445.00 502084.00 452070.00 441673.00 467475.00 420272.00 442476.00 485285.47 456092.97 446831.59 492904.25 473513.25 472064.22 463704.56 443863.50 437585.88 446973.25 493216.91 453445.19 471821.00 482939.66 481509.97 511951.28 525696.38 455152.91 465128.62 445331.25 419844.41 516038.03 472730.06 487556.03 503257.41 487959.19 540002.75 463158.66 456944.19
(R)-2,3-Dihydroxy-3-methylpentanoate
110430.00 64046.00 68859.00 35204.00 96557.00 136847.00 76563.00 97997.00 119960.00 82222.00 124840.00 77483.00 298069.00 203725.00 229565.00 239093.00 378399.00 460586.00 280810.00 347309.00 459188.00 249715.00 468114.00 311366.00 237292.64 160831.73 260001.91 214794.28 251630.92 208999.67 322757.28 261026.59 241422.61 147067.72 192548.12 261587.16 53663.00 99385.62 73441.41 46284.88 65814.09 95994.63 102324.24 134252.83 48353.98 97295.77 120557.95 64938.55 127666.32 821156.12 777557.19 785178.25 186811.02
(R)-2-Hydroxyglutarate
281249.00 140437.00 169988.00 88149.00 138517.00 184886.00 104361.00 176482.00 173019.00 113966.00 193444.00 125408.00 169621.00 165366.00 206349.00 250874.00 197778.00 201445.00 193595.00 212905.00 157187.00 134737.00 197017.00 268764.00 275122.38 235856.98 330212.06 329002.50 192815.08 131363.14 183719.16 215066.27 256495.58 203232.06 161696.52 235269.86 109695.00 223796.34 150670.42 105784.50 121063.27 138044.70 167058.59 208649.30 51283.83 97899.96 133534.45 94471.02 287182.66 368637.28 371301.22 383959.94 206782.03
Raffinose
643354.00 516896.00 459235.00 976136.00 324938.00 499719.00 332303.00 338338.00 378951.00 242464.00 337634.00 240764.00 740927.00 648115.00 706680.00 737243.00 992501.00 1044556.00 1126901.00 902368.00 1044509.00 774223.00 1210204.00 928215.00 653729.75 546032.25 714368.75 664606.62 851597.31 830050.38 943144.44 741794.12 919818.06 540867.88 685310.81 629319.19 187597.00 442840.06 298302.50 169400.84 259610.64 349207.50 404984.97 436026.34 464314.44 367728.47 359059.00 210318.77 822837.62 872777.00 831286.00 942435.81 372605.97
Rishitin
204960.00 140275.00 98566.00 681553.00 138142.00 186224.00 375599.00 111471.00 126983.00 188537.00 87774.00 185864.00 419678.00 264195.00 312412.00 73732.00 87699.00 152732.00 286805.00 34717.00 240070.00 394652.00 234075.00 632364.00 135657.56 56840.31 192471.03 285799.34 118978.05 298180.91 139660.03 519315.19 216481.17 116361.85 626828.12 222775.64 89984.00 109977.55 142165.05 345992.59 323041.59 158296.09 175102.67 133030.31 402096.62 116452.91 298451.69 108797.62 731534.50 158325.38 187454.19 165071.55 348084.69
(R)-Lactate
53616.00 31266.00 35905.00 18630.00 50284.00 66953.00 50882.00 48292.00 51577.00 35222.00 55293.00 34519.00 87407.00 82105.00 105123.00 113846.00 151197.00 114951.00 106307.00 143825.00 85430.00 86856.00 96012.00 94729.00 100699.51 77289.98 118946.77 101002.80 87752.91 97663.16 127895.23 97932.40 79270.23 51904.73 63676.53 65304.35 33822.00 52630.46 40186.64 30995.83 30337.20 39096.77 50018.67 62326.62 24747.01 37799.81 39076.19 36959.12 84732.84 115890.13 101895.05 95882.73 90843.62
(R,R)-Tartaric acid
184149.00 97516.00 111051.00 44604.00 161331.00 255168.00 170786.00 203270.00 191735.00 162303.00 343577.00 202643.00 938236.00 532330.00 746954.00 935360.00 1154158.00 932031.00 1146315.00 1033678.00 1187016.00 1288258.00 1533673.00 1320828.00 564392.25 366701.22 717714.31 618034.56 733445.75 622045.31 1091008.50 1031234.50 959692.81 398785.62 902301.75 1019277.12 92059.00 209399.91 152914.38 86708.18 113785.06 169950.52 255028.27 169231.00 129201.11 290691.44 291763.62 258427.88 1680733.88 3290917.00 3066040.50 2983692.75 593561.00
(S)-2-Aceto-2-hydroxybutanoate
105782.00 85510.00 86707.00 62272.00 85784.00 79473.00 70013.00 78139.00 41222.00 102285.00 64439.00 101286.00 87573.00 97110.00 96702.00 90112.00 81124.00 130103.00 72549.00 80054.00 86711.00 80972.00 98591.00 102385.00 78850.38 80602.69 91025.45 69859.53 71102.10 89567.71 78789.23 105891.71 83046.97 103001.37 88522.09 96577.52 99846.00 73055.28 91713.62 128455.88 94632.48 82188.37 94168.72 70562.76 45458.11 92377.88 112853.61 76626.27 66017.41 99758.42 106407.19 114512.61 84147.41
(S)-2-Acetolactate
145516.00 144384.00 166491.00 108127.00 159930.00 184593.00 182842.00 131195.00 135638.00 166210.00 186062.00 125286.00 166717.00 188672.00 218591.00 165173.00 180886.00 204666.00 208042.00 177131.00 193365.00 214538.00 203772.00 182108.00 150458.19 176693.91 203669.06 158404.47 175912.98 207021.88 219746.36 167600.86 176671.17 195250.28 192994.50 176057.62 124816.00 157099.41 168916.39 114787.88 108780.05 168087.14 185572.45 136216.36 123580.39 180905.16 184955.89 134050.59 129001.34 196774.91 216046.80 169055.30 147987.78
(S)-3-Methyl-2-oxopentanoic acid
11520.00 10020.00 - - 25331.00 31593.00 18060.00 19620.00 21339.00 12764.00 25658.00 24113.00 39202.00 43974.00 50368.00 48088.00 63349.00 53550.00 61208.00 69000.00 44746.00 38177.00 67523.00 51198.00 61679.95 43856.81 69134.18 66498.38 49128.00 40602.67 86722.66 66994.20 41108.86 29082.58 35007.57 36100.19 9972.00 21428.08 12893.35 11801.28 16364.95 10438.41 21937.86 14306.45 - 10773.42 13016.33 - 47911.49 130332.25 103321.55 121404.18 43355.90
S-Adenosyl-L-homocysteine
678693.00 1015954.00 689259.00 616375.00 355948.00 372850.00 452055.00 378162.00 586474.00 396203.00 425952.00 406231.00 5367917.00 5180918.00 6653866.00 5290663.00 3148897.00 3637476.00 2890866.00 3449848.00 1911556.00 2090162.00 1863255.00 1473315.00 5326915.50 4631884.00 5086295.00 4061076.00 2621754.75 2679668.00 2800367.75 2907309.50 1682428.62 1164148.38 843113.56 1752698.00 506457.00 456495.47 603144.31 472803.44 3183023.75 4379155.00 3862808.75 6127817.00 1245494.12 1926206.62 1623563.62 1280174.75 3162354.00 3578967.00 3661876.75 3512162.50 2401870.75
S-Adenosyl-L-methionine
755086.00 439357.00 910326.00 357515.00 535114.00 769725.00 592936.00 496816.00 764233.00 515193.00 679000.00 372022.00 2725144.00 2294198.00 2736521.00 2432323.00 2981681.00 3529803.00 3301674.00 2610644.00 3409201.00 2846045.00 3392515.00 2474146.00 2264676.50 1458274.50 2100897.00 1714642.75 1755717.62 1584708.00 2567313.25 2065972.62 1337317.38 770585.19 1137088.75 1535683.50 247779.00 361575.09 339127.44 203299.64 603660.31 874828.12 1186051.25 947351.44 408255.41 1239957.50 821094.38 507474.12 1973934.88 2997778.50 2974761.25 3059154.00 1626860.00
(S)-AMPA
1666749.00 1333337.00 1059187.00 713714.00 1042240.00 1518417.00 773522.00 1295417.00 1856586.00 1292286.00 2091834.00 1583269.00 974667.00 754518.00 644370.00 899363.00 1113670.00 1215884.00 1308797.00 1423895.00 1354196.00 1757491.00 2006534.00 2880158.00 967524.56 1047475.19 911685.38 900695.94 1278862.88 878879.81 1855541.75 1552361.50 3892859.25 2488995.75 2732194.00 3069079.00 723864.00 1847364.62 1087751.00 610536.31 894643.62 1072614.88 1045263.62 1519919.50 627100.69 1213876.75 1721941.88 1286919.75 3110738.25 7839125.50 7931165.00 7502651.50 1236804.88
(S)-ATPA
85140.00 54324.00 73254.00 23435.00 - 76675.00 - 63086.00 86339.00 54812.00 81657.00 45926.00 62443.00 80007.00 86556.00 68791.00 116981.00 106534.00 109876.00 161540.00 219834.00 144782.00 133487.00 148100.00 80402.34 68556.73 61322.68 88906.73 158275.55 83642.20 136367.14 143306.25 137860.05 123411.87 119634.70 116345.64 - 79740.42 21670.23 - - - 58107.10 87689.77 - 65003.28 54555.99 55055.84 80570.40 39751.31 75989.95 66235.41 72867.16
Scytalone
- - - - 28221.00 27733.00 - 51020.00 34582.00 128001.00 24775.00 - - - - - 21133.00 38908.00 90688.00 45217.00 32076.00 50463.00 55386.00 54163.00 - 68274.57 197317.75 - 28917.32 229705.92 136551.52 160187.09 61836.33 93442.30 51710.53 66661.16 34568.00 16975.49 99506.80 434586.75 - - - 160995.77 - 22109.44 67335.13 - 189796.33 90286.20 78904.77 109939.57 110914.87
Secobarbital
299494.00 175272.00 163605.00 119286.00 289560.00 393609.00 196224.00 324921.00 355273.00 285234.00 331700.00 233689.00 451471.00 448421.00 502926.00 576372.00 786214.00 758291.00 723429.00 637115.00 698380.00 759428.00 744378.00 745248.00 504664.44 438892.78 495457.91 534716.06 619015.00 554643.31 782321.75 687024.56 671406.12 464927.66 600289.75 622260.94 153760.00 283261.31 187375.77 121501.00 179999.58 210142.88 269239.84 294267.19 241395.44 446562.50 365694.97 212261.19 703234.06 1839942.88 1874867.88 1854285.38 459035.16
Sedoheptulose
30474.00 48915.00 62120.00 49231.00 33629.00 55954.00 42860.00 24156.00 31013.00 82431.00 56357.00 52603.00 88661.00 47566.00 72414.00 44715.00 45193.00 33166.00 55561.00 28065.00 31792.00 29455.00 28702.00 35709.00 72105.30 - 21167.95 34483.22 55628.70 26774.22 43486.63 52038.84 31100.73 54110.82 56316.83 48874.59 33735.00 49407.33 21101.40 68623.47 28568.76 49657.29 18234.96 91713.51 34765.70 28921.30 54275.27 29640.38 177381.02 74862.34 78415.94 97767.38 91382.34
Serinyl-Serine
194049.00 139818.00 159983.00 200538.00 101702.00 200770.00 159971.00 127642.00 129174.00 104384.00 83176.00 124099.00 157793.00 124008.00 156489.00 158145.00 128034.00 229586.00 102892.00 156743.00 151956.00 103314.00 97036.00 149222.00 272776.97 318373.34 223428.45 192320.72 154040.86 164391.78 194166.47 106714.65 132466.59 170401.03 94768.60 154713.03 80700.00 112290.49 81630.67 83343.90 216974.44 228699.75 286502.59 464953.53 215632.44 134352.53 209897.73 177133.33 1252612.00 487350.06 396843.44 419248.56 388358.34
(S)-Lactate
- - - - - 98434.00 47126.00 - 42820.00 37186.00 41838.00 - 355027.00 298572.00 417458.00 393065.00 611496.00 415348.00 331153.00 399459.00 335213.00 273073.00 188464.00 220081.00 176903.83 123239.88 257689.27 198606.16 175537.44 158740.00 241156.20 269021.16 119193.79 46447.31 161467.81 123714.09 42762.00 123678.47 50892.12 57224.37 34673.91 52296.20 54152.87 50228.75 - 43441.94 41431.63 - 273776.34 648855.75 715358.62 718300.12 180026.27
(S)-Malate
119745.00 51993.00 97695.00 51082.00 35425.00 67952.00 68318.00 53396.00 38349.00 89073.00 57514.00 60765.00 101772.00 51449.00 49182.00 36289.00 72763.00 38828.00 49420.00 78390.00 72568.00 84671.00 57663.00 71588.00 70087.10 38953.22 31301.55 66327.52 95508.45 101666.88 76375.48 48352.08 65597.34 71998.83 72425.73 77657.52 81762.00 107998.13 53965.37 87545.74 62557.05 78274.40 90831.45 72433.84 44446.27 74525.43 71713.77 113314.74 164087.48 63984.54 86949.54 89198.43 83993.83
sn-glycero-3-Phospho-1-inositol
18349.00 14911.00 17651.00 5659.00 21000.00 39617.00 21556.00 20873.00 39317.00 23540.00 26434.00 16274.00 351030.00 310207.00 321856.00 297318.00 377251.00 522166.00 223737.00 192555.00 197647.00 159774.00 208346.00 148130.00 335652.72 289606.81 444973.38 299608.41 142172.72 152186.31 166271.41 217947.69 133721.66 73159.09 129440.88 131259.42 24489.00 40382.69 26864.53 24596.61 29259.14 31436.10 28712.89 23703.23 23046.71 219290.27 40774.24 32716.81 180543.02 253119.86 234838.67 252812.84 161414.95
sn-glycero-3-Phosphoethanolamine
73724.00 1222223.00 397043.00 5356903.00 239084.00 220804.00 369991.00 179102.00 251216.00 204398.00 237262.00 619940.00 910522.00 1265086.00 874998.00 1494061.00 80672.00 246965.00 977995.00 357897.00 102361.00 329762.00 317824.00 250357.00 137628.97 556055.88 740908.75 354979.78 77262.20 224188.78 500487.69 458309.94 214286.81 289301.16 214897.42 209624.89 87638.00 73203.70 243934.33 624992.38 472950.81 283665.84 100454.28 1277894.25 932273.69 240286.67 772587.88 274142.72 629781.31 365772.09 335614.47 353027.53 412771.59
sn-Glycerol 3-phosphate
- 29215.00 - - - 25253.00 - - - - 31303.00 - 18967.00 - - - - - - - - - - - 29265.53 - - - - - - - 24397.91 - - 25094.19 - - - - - - - - - - - - 43497.55 112622.86 112242.64 112155.22 25255.88
(S,S)-Tartaric acid
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 190009.94 207913.56 183592.64 172089.03 176732.30
Subaphyllin
123884.00 78076.00 75562.00 160925.00 62562.00 98356.00 135438.00 73418.00 94893.00 194983.00 70127.00 85086.00 121820.00 105370.00 323776.00 50946.00 80156.00 93615.00 116601.00 59991.00 85770.00 115672.00 82308.00 74995.00 88365.77 81588.32 45029.77 76055.05 121510.28 104124.90 88473.16 156142.39 68477.43 70677.38 118469.01 84100.46 96591.00 92170.02 69421.61 112949.89 100032.06 69756.03 86629.92 85345.10 109587.40 86452.42 75038.80 66277.20 407593.75 124479.49 150867.02 140163.00 158107.73
Suberic acid
153705.00 705218.00 182043.00 443468.00 595172.00 294924.00 440851.00 551820.00 296353.00 638399.00 310984.00 223094.00 902445.00 866660.00 303929.00 365077.00 157258.00 170734.00 491887.00 322821.00 705893.00 198615.00 795003.00 791213.00 71578.38 1013889.56 1245817.12 468188.12 232533.36 1209655.62 1044327.38 858855.69 666949.06 854530.69 223581.39 736096.69 313708.00 299622.69 822589.19 1563335.62 955239.25 159898.41 113792.97 1667078.62 953900.62 193078.14 631234.44 555178.56 1485900.38 600822.88 664856.19 619981.06 644663.38
Succinate
- 313944.00 76716.00 346417.00 86246.00 - 154642.00 74915.00 124038.00 129406.00 75982.00 - 1992133.00 836576.00 1749506.00 1672574.00 93646.00 787082.00 1657788.00 500112.00 578363.00 1215800.00 243335.00 97262.00 536802.88 1060754.88 1478744.75 924552.75 331632.06 1017483.56 757145.00 1369007.50 73660.72 172952.41 108809.75 108785.32 65580.00 23819.90 144044.64 200148.23 266646.97 219023.50 297198.69 910524.94 327417.84 91652.22 136526.23 46917.66 - 405032.84 442368.25 472728.69 363641.59
Succinate semialdehyde
502678.00 367949.00 504787.00 245523.00 1121653.00 1407050.00 1068158.00 934396.00 1192182.00 743264.00 1137186.00 565264.00 2095768.00 2041204.00 2563866.00 2841695.00 3005614.00 3142989.00 2728890.00 2428884.00 2889094.00 2706241.00 2826409.00 2648427.00 2063364.12 1680843.25 3070741.00 2819866.00 2253330.50 2377476.50 3210845.00 2613482.00 2171329.25 1261487.00 1920971.25 2078672.12 481050.00 788211.12 784660.94 518106.72 643909.19 692351.06 717267.12 546567.19 576507.62 1407591.25 885279.62 744843.25 2319025.75 4863415.00 4998940.50 5200534.50 1724200.38
Succinyl-CoA
26211.00 - 27811.00 - 95956.00 100712.00 115095.00 117416.00 128080.00 125876.00 129819.00 73229.00 280432.00 230059.00 237915.00 236107.00 303880.00 288232.00 471199.00 269226.00 274662.00 270995.00 274027.00 189102.00 184368.22 144235.34 235019.23 180871.25 182863.00 171340.02 316416.72 324960.12 173516.52 167581.78 205942.86 195883.36 - 120846.37 78444.15 - 85855.85 66928.73 126278.12 109674.91 106108.28 112440.93 126666.33 67228.01 - - - - 121069.89
Sucrose
2435360.00 3540476.00 6780989.00 11172815.00 1875888.00 2664442.00 4373983.00 1855457.00 1994924.00 3020790.00 2372620.00 2051920.00 2711253.00 2310048.00 3438518.00 4427091.00 1174090.00 1351464.00 2089581.00 1356211.00 1331815.00 3969309.00 1489053.00 1542293.00 3255856.50 2137539.50 3446158.00 3422637.50 1298587.38 1326621.00 1502730.50 1938022.38 1196143.38 1733820.75 1818943.50 1246715.88 2060268.00 1824992.25 4345742.50 2798107.75 3237076.00 2274236.25 3830885.00 14984627.00 2163961.75 1285417.38 2669581.25 4139420.75 5253647.50 3639276.00 3730106.75 3795744.50 3658479.25
Sulfate
26670.00 211161.00 80167.00 396844.00 278662.00 188918.00 219123.00 196864.00 294650.00 145294.00 154851.00 297899.00 281958.00 406300.00 259257.00 316324.00 105716.00 175062.00 320438.00 242430.00 85722.00 186081.00 193927.00 175309.00 96378.48 374928.16 454665.66 274881.28 122808.82 239032.02 313120.94 397588.50 140952.67 197793.30 127576.71 134817.61 73112.00 86199.03 171414.89 360411.00 320183.75 207992.25 79405.55 710362.56 345185.56 202635.88 346631.81 186960.20 141501.91 192616.67 208820.56 198492.42 171408.84
Sulfoacetate
108224.00 81295.00 72136.00 54896.00 157125.00 203820.00 118152.00 162828.00 154086.00 136117.00 200068.00 135545.00 285385.00 259030.00 315551.00 322938.00 403974.00 399525.00 403858.00 418523.00 242228.00 330583.00 378452.00 452976.00 313954.56 213958.83 352876.28 307708.62 301049.91 332968.44 382457.50 363572.66 315012.50 221551.28 240805.86 319534.72 98252.00 134763.16 118174.66 81774.23 94360.39 132591.14 186869.38 228907.62 110998.84 175532.80 181998.42 111140.66 413423.25 467629.69 459949.41 483650.47 273280.34
Tetraacetylethylenediamine
179018.00 103994.00 109727.00 48288.00 162481.00 279917.00 137647.00 154595.00 228900.00 147454.00 271298.00 123188.00 347704.00 252827.00 299604.00 391263.00 765254.00 593442.00 493088.00 627204.00 442291.00 696946.00 589243.00 604619.00 380247.47 240244.70 378133.25 350774.97 513156.03 455948.56 584991.94 488326.28 806194.12 315486.31 398614.22 583073.44 85797.00 201155.59 121884.45 64985.74 119000.92 153289.95 177533.64 153020.58 99238.99 218632.52 242180.50 150737.53 2598811.50 5267704.50 5267364.00 5164973.50 430092.28
Tetradecanoic acid
1124678.00 532381.00 691193.00 379378.00 150676.00 412021.00 128507.00 325010.00 174364.00 135373.00 410747.00 227923.00 363180.00 164705.00 207664.00 298098.00 655387.00 258670.00 292347.00 386557.00 480985.00 216492.00 399934.00 1066379.00 388890.12 362477.41 264732.81 827284.00 515834.59 159494.84 216204.66 207127.55 490457.59 174885.20 212142.36 367563.97 228400.00 739077.88 309298.59 172341.06 310878.22 608710.62 754213.19 1192133.12 112575.88 123697.96 156069.23 161981.19 321053.06 612588.31 662137.88 641478.44 551109.75
Thr-Ala-Ala
314498.00 97749.00 171512.00 - 32982.00 92137.00 25803.00 100198.00 89313.00 - 86840.00 39940.00 27267.00 - 28149.00 69664.00 101942.00 45177.00 45027.00 61326.00 104666.00 21693.00 63919.00 86510.00 156969.12 116926.78 69459.16 138566.45 138703.55 58078.00 63722.47 57144.49 95156.42 79504.70 82222.85 59954.36 76789.00 195194.67 55423.77 17922.38 63406.66 86627.89 109254.80 214755.25 - - 34653.94 51138.57 - - - - 69507.88
Thymine
473985.00 282193.00 303873.00 156919.00 308294.00 448769.00 241837.00 385105.00 356718.00 268854.00 434464.00 264451.00 615522.00 532661.00 832611.00 833705.00 991247.00 968924.00 984962.00 1025240.00 784424.00 629654.00 876579.00 951670.00 804090.56 431516.88 886972.50 553938.44 742066.56 664254.25 1048306.88 832333.81 632616.00 407067.31 597079.50 646433.62 256181.00 448418.03 258615.70 175668.36 248896.92 315986.34 397770.44 467384.31 196262.31 270650.66 319984.53 258293.05 461327.19 1002652.06 946918.31 917206.06 591593.38
trans-Aconitate
- - - 26469.00 - 36103.00 - - 32705.00 38051.00 87692.00 33752.00 170466.00 113876.00 173053.00 181759.00 363042.00 304670.00 378217.00 278824.00 541579.00 946116.00 566073.00 446448.00 74715.77 49755.14 137678.78 102983.08 84841.64 82557.92 233073.33 211438.67 250508.53 61689.02 222311.75 181614.14 - 26524.80 28681.32 - - 18850.86 - - - - 25198.40 - 438674.22 732816.88 745437.69 799044.19 142164.31
trans-Hexadec-2-enoyl-CoA
145173.00 139594.00 168809.00 126846.00 144667.00 171269.00 172672.00 141237.00 135795.00 142797.00 162143.00 138504.00 154244.00 178899.00 174829.00 127647.00 141733.00 164473.00 151899.00 146532.00 174313.00 179450.00 185597.00 154278.00 137730.80 158291.31 174152.75 155650.22 164170.11 154326.88 173891.02 132217.03 150749.80 169886.89 143901.88 163100.84 129244.00 155496.80 158209.06 155247.44 139653.30 154512.84 158859.16 125768.58 131029.21 171216.95 190260.06 134860.17 160533.98 193008.92 212138.14 203184.97 162617.55
Trifluoroacetic acid
2018340.00 39837328.00 5205185.00 204365200.00 12512212.00 9423928.00 25902276.00 9135461.00 11840593.00 10960682.00 5155970.00 32811276.00 147622512.00 124227168.00 134785712.00 108594968.00 3275884.00 18079482.00 84227896.00 25914920.00 6838853.00 35964924.00 10727435.00 9733351.00 11883903.00 88199048.00 106427296.00 49024852.00 9339768.00 26520870.00 41963556.00 43433240.00 17171748.00 15281809.00 6694347.00 11316405.00 3820493.00 2246138.00 10368692.00 39441684.00 65923344.00 19337318.00 6736861.50 231203664.00 108226304.00 12050104.00 40314572.00 7149828.50 61985640.00 27742782.00 28810318.00 28286982.00 30488544.00
Trimetaphosphate
106483.00 142322.00 166491.00 108127.00 119391.00 147408.00 163282.00 106138.00 92275.00 155725.00 169091.00 108612.00 122123.00 159877.00 184266.00 113653.00 103384.00 149596.00 153497.00 128352.00 122856.00 162759.00 159033.00 118507.00 101924.78 154564.00 189481.52 106409.91 127017.33 154891.55 175010.98 124842.71 120342.88 171056.66 151768.88 115166.05 111726.00 137680.23 147043.73 114787.88 95263.45 158384.92 175053.67 106538.55 103047.14 158804.47 174344.16 109284.36 79174.45 147285.03 172961.22 136745.17 109081.22
Trp-Ala
16083.00 11696.00 6539.00 - 14119.00 32122.00 27203.00 18834.00 23892.00 16173.00 19952.00 6018.00 75714.00 110619.00 69982.00 53206.00 186583.00 346664.00 133396.00 128408.00 245130.00 120821.00 179181.00 85263.00 126394.73 70004.23 82009.14 65703.18 175548.30 104597.38 172148.22 103627.25 56584.48 37377.70 59175.95 109305.38 12795.00 15098.46 6848.88 5737.55 5898.98 14159.22 14076.60 6394.56 12787.77 48097.22 26318.16 17339.94 117012.70 137296.45 147232.42 149230.83 129679.00
Trp-Ser
25935.00 15425.00 18071.00 6416.00 25595.00 35765.00 23734.00 23600.00 31161.00 28587.00 39788.00 42132.00 42363.00 91955.00 39714.00 31301.00 72750.00 53358.00 28961.00 40242.00 34465.00 19620.00 59720.00 53005.00 73332.93 43729.91 44171.46 47180.25 45873.79 30310.98 47621.88 31633.53 50555.84 35235.43 33039.99 54193.31 17338.00 29496.31 20202.98 21611.04 24014.98 23906.84 21549.73 27816.96 19663.22 47418.18 42978.04 45570.66 57011.61 147420.47 123875.66 134999.48 49879.62
Tryptophyl-Proline
651491.00 255922.00 370766.00 151365.00 101260.00 214810.00 81817.00 161082.00 134566.00 83827.00 196309.00 97849.00 202586.00 107916.00 116983.00 151086.00 358041.00 166651.00 203931.00 201909.00 245362.00 170328.00 219719.00 363808.00 274082.19 235447.97 156834.03 327968.56 296114.75 146670.34 191172.94 127483.66 237014.67 138800.20 172148.39 256186.09 103316.00 354842.84 130762.62 66149.02 176650.89 302247.56 382475.75 709712.00 82643.27 102835.95 93749.55 111731.81 622236.94 309170.53 295083.25 354033.28 323580.22
Tyrosyl-Valine
254018.00 195083.00 274544.00 112048.00 235405.00 393301.00 290035.00 234760.00 329278.00 203641.00 272352.00 154068.00 873339.00 919935.00 1017555.00 978356.00 1459868.00 1786739.00 1121090.00 1076260.00 1446011.00 1103092.00 1199076.00 891803.00 969134.88 711472.56 935581.94 820316.62 1076371.62 1046145.62 1199639.62 913912.62 796801.81 443181.12 622993.38 672009.81 131423.00 180181.72 193798.88 131117.19 270522.31 330351.31 426435.59 353368.88 140015.42 421575.06 264384.62 210723.34 830782.00 1757005.62 1763529.88 1685860.88 744099.50
UDP
33084.00 27784.00 21963.00 18900.00 31729.00 50607.00 17915.00 17685.00 46172.00 21562.00 36615.00 16290.00 266175.00 201678.00 238360.00 191233.00 332944.00 516234.00 347204.00 289176.00 450104.00 381817.00 481646.00 284854.00 138387.89 73916.52 140945.17 100709.64 270019.34 172437.45 281718.91 226242.58 176860.45 78623.57 154370.80 189091.83 12415.00 15527.21 12693.38 - 22589.36 32905.59 59646.57 36611.50 22103.38 81664.29 40891.09 21997.91 291346.50 1109490.25 1198680.50 1141993.25 118717.93
UDP-2,3-diacetamido-2,3-dideoxy-α-D-glucuronate
97153.00 4607560.00 551250.00 21184488.00 6157535.00 3614926.00 24777460.00 3976704.00 7226187.00 11985959.00 1864320.00 13183484.00 58835852.00 45947148.00 33519446.00 34144236.00 1193595.00 19960268.00 93144896.00 8183874.00 3542308.00 34198024.00 9200976.00 4496364.00 8587445.00 15704606.00 40352420.00 11630397.00 1719437.00 11111800.00 14621921.00 31192324.00 3481308.25 5565878.50 2770761.50 4070759.50 4380605.00 960755.12 10046989.00 35720440.00 5321105.00 2112504.25 2874390.75 15640558.00 65107224.00 3682916.25 16145576.00 1424786.88 18885530.00 13620577.00 12896052.00 12783143.00 12152776.00
UDP-glucose
402880.00 170343.00 187416.00 69324.00 82565.00 124969.00 - 101896.00 111485.00 61109.00 158846.00 68555.00 58228.00 53896.00 38674.00 94552.00 175393.00 50535.00 74614.00 115647.00 167249.00 41435.00 153696.00 165722.00 176856.31 139763.91 109871.35 161779.61 217637.02 93144.61 72236.92 78301.96 158397.47 157480.14 97858.72 122547.35 78701.00 236843.45 101937.55 27946.71 118641.87 178916.19 153824.16 205974.55 - 50052.33 87920.62 63346.71 140233.53 - - - 99523.21
UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate
5969.00 5193.00 9830.00 - 24596.00 45756.00 57994.00 25275.00 31032.00 14892.00 23204.00 12526.00 74484.00 122370.00 79985.00 75668.00 116957.00 204968.00 99687.00 107713.00 195076.00 73946.00 151847.00 92279.00 89983.04 59876.56 83755.99 72194.44 131134.31 90124.17 134270.02 81323.91 49547.93 35131.70 44316.27 76298.67 14859.00 14723.69 18670.48 14108.28 21555.18 24222.89 35940.00 25446.94 10999.98 33983.79 23023.44 18590.71 109452.12 152638.56 141151.69 135150.77 125527.71
UDP-N-acetyl-D-galactosamine
528829.00 199933.00 217409.00 123621.00 100011.00 164216.00 87104.00 194224.00 112662.00 51909.00 204667.00 103335.00 150703.00 122573.00 154245.00 211307.00 284740.00 171771.00 204490.00 282190.00 231417.00 162731.00 232099.00 388733.00 212079.23 171029.27 179617.09 271908.22 250849.06 176549.89 219699.02 201419.05 296113.88 155444.55 214295.03 203756.09 123064.00 284532.28 144894.91 68437.98 190109.31 289813.16 318637.78 425860.53 43647.41 100904.77 118448.94 82293.63 522520.00 232032.02 252316.84 281123.94 204143.72
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- dia...
115283.00 63014.00 57854.00 - 147078.00 134181.00 131353.00 87266.00 173474.00 115698.00 129980.00 65900.00 206737.00 247799.00 219116.00 274563.00 370194.00 501483.00 391499.00 312707.00 425973.00 234923.00 304604.00 209236.00 248950.08 189117.45 205669.09 188137.08 322336.25 287917.88 320473.72 304786.97 221308.42 159423.58 206406.12 137004.39 85903.00 109109.13 65421.78 - 70605.63 79388.02 128312.67 89042.13 129642.74 164947.44 91620.80 78869.35 - - - - 119327.02
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D...
- - - - - - - - - - - - 168094.00 153701.00 208760.00 203015.00 127473.00 146253.00 156601.00 137473.00 83485.00 117354.00 54327.00 56468.00 - 54102.04 170553.11 122632.87 - - - 57895.99 - - - - - - - - - - - - - - - - 98448.62 121851.98 133608.36 128200.28 44212.00
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminohep...
119964.00 49916.00 45878.00 - - 34071.00 - - 39665.00 - 59727.00 - 64456.00 - 39493.00 46494.00 82538.00 51762.00 48945.00 78744.00 113477.00 52263.00 83664.00 101473.00 66683.66 48150.47 35826.54 54471.46 97175.36 42590.59 87304.96 46035.61 81741.01 77027.09 37286.77 73775.57 - 42420.88 28333.04 - 26042.54 50196.62 66289.84 45466.39 - - 32812.11 - 69429.95 260306.03 282429.53 262188.66 49729.00
UMP
274680.00 1753964.00 710278.00 2592779.00 600912.00 463763.00 852288.00 494763.00 710049.00 1082054.00 558912.00 906809.00 509201.00 696289.00 665617.00 690684.00 145232.00 605597.00 694648.00 394647.00 265398.00 610050.00 433782.00 243237.00 301841.19 375512.66 600324.50 324797.06 165075.42 358697.72 448379.25 489998.97 263986.34 420301.12 384598.22 221346.62 373075.00 214566.80 430236.16 594549.31 604972.12 505767.41 595025.88 1124109.00 535421.19 307729.25 730459.00 295431.34 954737.75 666734.56 671828.12 308802.03 604073.31
Uracil
- - - - 29714.00 39491.00 27145.00 46568.00 68605.00 55636.00 67238.00 31344.00 72287.00 67089.00 85305.00 117348.00 97446.00 103823.00 76912.00 95374.00 93595.00 66490.00 63296.00 73669.00 78016.69 57554.63 93322.52 86124.58 56604.76 79039.06 87405.67 77793.84 73500.38 67116.55 70151.37 58551.32 27744.00 37150.25 33053.24 - 21176.79 46939.82 71828.28 61302.50 24886.47 90274.48 53754.37 33582.55 56167.18 138257.31 122878.99 144520.30 60813.02
Urate
- 30156.00 - - - - - - - - 51559.00 - 81695.00 40376.00 62479.00 78178.00 111218.00 - 54156.00 59445.00 - 38683.00 104242.00 100642.00 102957.42 64441.54 123608.13 71366.84 66301.23 45159.27 67808.86 54865.57 38905.42 - - 41629.54 - - - - - - - 48105.95 - - 30941.26 - 82208.88 143608.36 149184.94 154830.55 39939.53
Uridine
205954.00 152067.00 223634.00 269166.00 191809.00 304281.00 221206.00 214845.00 200157.00 184942.00 210565.00 233159.00 353769.00 293931.00 179374.00 173136.00 293096.00 312214.00 396531.00 306594.00 272325.00 216107.00 215476.00 219639.00 237686.55 165115.11 205527.39 208889.31 292733.72 298658.34 388736.25 211545.64 295241.00 222637.42 285908.16 235317.97 199350.00 167006.84 194818.59 294409.12 164854.03 152206.00 149796.58 348997.47 406269.66 328088.28 217402.88 227519.70 1921554.25 255105.14 275984.62 302078.72 374153.12
Urocanate
651328.00 1123494.00 634988.00 605339.00 355948.00 406696.00 452055.00 378162.00 562425.00 437683.00 448535.00 415524.00 5498890.00 5538704.00 6576439.00 5311672.00 3214921.00 3637476.00 3183431.00 3509381.00 1911556.00 2250400.00 1924671.00 1534046.00 5492415.50 4657815.50 5229606.50 3831361.75 2708347.00 2656643.25 2812333.00 2952842.00 1795847.75 1232042.25 929161.81 1747528.88 507516.00 474493.66 665650.94 488143.09 3314835.75 4825736.00 3949909.75 5969459.00 1245494.12 1968057.38 1692003.75 1272016.50 2946102.75 3643165.00 3682375.25 3674651.25 2497808.50
Ursodiol
246244.00 294295.00 231450.00 210356.00 195839.00 329777.00 197504.00 218587.00 295972.00 263833.00 188756.00 149868.00 165316.00 184716.00 217706.00 215243.00 243290.00 284711.00 246610.00 308126.00 245513.00 283407.00 242139.00 200630.00 178912.72 151003.86 174027.39 178194.70 221101.56 279631.91 306162.47 300784.25 264720.44 338096.28 283903.12 174548.17 125346.00 148635.25 125744.66 100460.29 114606.30 134240.83 126690.33 222089.92 110379.70 240465.09 246110.52 148438.80 160620.98 69821.82 69148.51 205468.70 90258.94
UTP
144139.00 99143.00 144683.00 69693.00 145159.00 190608.00 170198.00 142169.00 170861.00 112226.00 163676.00 77844.00 500668.00 501794.00 736648.00 764443.00 822848.00 990553.00 797742.00 734202.00 732425.00 669552.00 673281.00 536964.00 591775.19 468711.22 759152.50 535110.31 570477.19 538536.94 771663.06 638325.38 390961.97 243870.14 396202.09 330123.38 69765.00 97995.49 110879.07 71200.38 173005.30 269710.25 335582.44 304406.47 113590.62 258236.11 203459.47 154058.48 372466.66 438489.25 419907.75 441513.91 391827.81
Val-Gly-Pro
68278.00 46833.00 44795.00 37968.00 76637.00 105227.00 83570.00 77614.00 95777.00 68521.00 93631.00 65222.00 176329.00 154806.00 170144.00 183927.00 250453.00 247698.00 240770.00 232701.00 237658.00 242473.00 253765.00 235623.00 167213.16 131795.11 192982.73 160731.50 199716.11 196565.33 260146.86 201914.27 194661.98 121149.87 169880.52 185476.05 49494.00 76042.40 62665.26 50965.06 63514.88 73071.16 82893.23 95775.91 59698.45 116526.29 98037.62 66567.70 181708.23 214363.36 203933.27 209748.33 151576.12
Val-Pro-Arg
53176.00 40885.00 76531.00 26609.00 78362.00 112893.00 109564.00 73352.00 117942.00 78096.00 117259.00 41752.00 1662399.00 1523936.00 2046864.00 1849904.00 1647595.00 1902773.00 1426450.00 1292153.00 1469746.00 1086452.00 1164808.00 728210.00 992163.56 746885.56 1383988.88 1131049.50 643723.81 622230.06 736204.50 563736.94 322520.97 155235.05 237042.12 267592.03 51875.00 60474.80 66908.10 46720.01 178571.22 219696.81 310837.47 242491.20 78700.09 183295.52 129696.70 65322.06 739089.06 991270.69 969974.88 956696.44 702729.12
Val-Tyr
5657.00 - 10803.00 - 148879.00 298010.00 213702.00 184508.00 205477.00 169590.00 189512.00 138196.00 129127.00 85208.00 96995.00 103038.00 1393634.00 1406629.00 879184.00 741927.00 2113026.00 1819674.00 1654396.00 1218860.00 65015.37 59402.43 129742.88 52652.67 586870.06 534557.44 805064.88 377054.25 887888.75 525707.81 857720.81 916743.88 36054.00 52521.84 48035.24 46363.61 - - - - 43811.16 168687.88 85104.70 85284.79 471942.91 567294.62 582897.19 587943.56 490012.81
Val-Val
14178.00 5444.00 6678.00 - 22853.00 45653.00 27208.00 29144.00 41222.00 23010.00 34732.00 20405.00 73219.00 71723.00 74439.00 86889.00 89809.00 121708.00 90101.00 100640.00 127802.00 93808.00 131678.00 111944.00 68686.88 51161.63 87302.22 82144.83 115574.36 71998.84 115746.02 90960.59 73895.98 45220.40 70802.67 90880.04 11809.00 24753.23 15103.16 10981.18 17310.73 14772.48 21210.05 22563.30 12938.59 39392.09 33960.67 20788.29 75730.76 86679.91 84468.75 87851.16 89317.09
Val-Val-Pro
1152481.00 883630.00 908854.00 626047.00 1419717.00 2105067.00 1326161.00 1686849.00 1825676.00 1375506.00 1852058.00 1325598.00 2448597.00 2298737.00 2680170.00 2997232.00 3918101.00 3785587.00 4109175.00 4096738.00 3859652.00 4259342.00 4516177.00 4347663.00 2450935.00 1953051.25 2571181.25 2677281.00 3399929.00 3330572.25 4524395.00 3951324.25 3689423.25 2468152.25 3305014.75 3652569.75 849709.00 1328501.50 1030346.69 684327.62 964482.69 1213982.50 1291780.50 1951057.25 1197166.00 1981988.62 1736035.38 1296933.00 5442253.00 5272736.00 5325132.50 5463360.00 2853434.00
Valyl-Phenylalanine
90545.00 52261.00 - - 127265.00 258031.00 93183.00 149877.00 153197.00 88989.00 174835.00 83469.00 196859.00 128359.00 194560.00 328433.00 285882.00 145757.00 201903.00 356856.00 152417.00 86629.00 196399.00 273599.00 344980.53 208554.83 257058.02 362778.03 173384.88 137894.69 300733.72 159109.61 181015.55 127927.78 150651.45 185074.64 110373.00 242369.86 144138.52 74973.16 36411.35 80278.87 117911.32 172495.80 - 57816.62 76346.80 44461.76 1281679.25 325004.06 395870.00 374757.56 282320.34
Xanthine
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
Xanthosine 5^-phosphate
66988.00 36853.00 48386.00 29528.00 46244.00 87608.00 42975.00 54202.00 48737.00 44529.00 51914.00 37231.00 111162.00 119316.00 137178.00 108100.00 131920.00 177496.00 131858.00 158238.00 122622.00 101549.00 152149.00 113750.00 101886.36 85259.84 116792.94 119596.43 138273.70 132283.44 186529.33 116108.08 94690.34 71912.05 81614.51 91772.79 30864.00 51772.11 31652.17 65065.20 35213.75 48105.86 60946.41 63755.34 28604.84 72208.00 62093.95 38999.95 82362.05 115234.73 138755.80 114795.36 96149.71
α,α^-Trehalose 6-phosphate
129913.00 81784.00 91031.00 57100.00 144516.00 227350.00 149362.00 128085.00 126822.00 118687.00 214698.00 123921.00 244321.00 259983.00 287875.00 311426.00 438874.00 378044.00 430241.00 427074.00 327501.00 361796.00 496817.00 450983.00 339986.94 205857.48 293430.69 277103.59 382234.19 289605.56 406177.22 289749.56 381988.25 193230.42 258556.53 299454.75 89825.00 160091.08 119960.91 71514.23 101506.77 148764.70 166263.70 242794.06 - 225283.58 179924.78 133313.52 364162.41 490237.00 393103.88 439525.41 312231.91

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
  logo