Data for ST002066
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 1-18:2-2-18:2-monogalactosyldiacylglycerol | 5180701.20 | 7234721.62 | 6697069.12 | 7017662.10 | 5864426.67 | 6556290.50 | 6178372.00 | 5135888.00 | |
| 12-Hydroxydihydrochelirubine | 3120305.55 | 715464.50 | 838753.17 | 1747674.60 | 1510164.69 | 1622193.72 | 972778.12 | 1603548.88 | |
| 15-Keto-prostaglandinE2 | 1086258.42 | 359718.89 | 1045852.27 | 1553984.88 | 505471.05 | 919986.34 | 101149.90 | 658351.75 | |
| 1-O-Hexadecyl-sn-glycerol | 942414.77 | 1250812.88 | 1310189.92 | 1776977.43 | 587985.47 | 1327515.80 | 1600086.00 | 1229461.88 | |
| 1-O-Methyl-myo-inositol | 540006.03 | 528560.98 | 448713.84 | 646670.11 | 737891.80 | 527995.48 | 547438.75 | 491168.41 | |
| (1-Ribosylimidazole)-4-acetate | 87224.38 | 71104.31 | 56465.50 | 75032.01 | 85029.20 | 95947.59 | 100968.70 | - | |
| 1-thio-beta-D-glucose | 123278.08 | 107476.88 | 109088.50 | 112014.81 | 69404.84 | 91046.52 | 83427.70 | 61096.99 | |
| 2,3,4,5-Tetrahydrodipicolinate | 64184.15 | 38667.63 | 56547.18 | 76237.64 | 76284.44 | 62160.86 | 52218.84 | 89818.82 | |
| 2,3,4,5-Tetrahydropyridine-2-carboxylate | 90537.41 | 173259.59 | 63817.02 | 95687.49 | 124716.29 | 120237.33 | 128354.84 | 144673.19 | |
| 2,3-Dihydroxycyclopentaneundecanoic acid | 726991.47 | 584157.65 | 668808.05 | 578265.06 | 439265.08 | 341604.81 | 503965.47 | 370777.38 | |
| 2,3-Dimethylmaleate | 374580.55 | 168508.14 | 256262.99 | 286334.52 | 362416.34 | 152636.80 | 366199.47 | 210664.77 | |
| 2,5-Dioxopentanoate | 1549267.65 | 2014874.12 | 1762414.56 | 1529500.10 | 1314895.62 | 1568663.30 | 1641581.75 | 1110675.12 | |
| 2-5-Furandicarboxylicacid | 140388.45 | 74052.98 | 68823.79 | 79445.96 | 44763.58 | 66555.81 | 30933.43 | 22252.72 | |
| 2-(Acetamidomethylene)succinate | 114151.53 | - | 92453.41 | 123660.95 | 55571.84 | 289704.87 | - | - | |
| 2-Aceto-2-hydroxybutanoate | 320927.04 | 287312.38 | 384250.41 | 337743.93 | 405588.32 | 332781.28 | 290378.16 | 283516.59 | |
| 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine | 242937.83 | 181710.75 | 136475.34 | 202111.43 | 181119.15 | 173557.14 | 232002.64 | 169453.81 | |
| 2-amino-5-methyl-muconate semialdehyde | 127760.36 | 70567.67 | 87749.73 | 77847.55 | 104246.41 | 85974.14 | 115704.94 | 53563.25 | |
| 2-Aminobutan-4-olide | 153637.29 | 102328.53 | 129688.89 | 178362.29 | 106585.79 | 176428.54 | 105999.40 | 73792.07 | |
| 2-Butenoate | 103897.68 | 80816.59 | 103570.70 | 199829.87 | 61903.58 | 184020.57 | 62009.03 | 126390.30 | |
| 2 -(Butylamido)-4-hydroxybutanoic acid | 406058.46 | 157003.45 | 368719.48 | 593119.74 | 258696.83 | 532095.34 | 659677.19 | 758745.12 | |
| 2-C-Methyl-D-erythritol 4-phosphate | 15997512.15 | 9942120.50 | 11599465.38 | 12547470.30 | 8698405.67 | 13596322.75 | 10486343.00 | 3796086.25 | |
| 2-Dehydro-3-deoxy-D-glucarate | 2124127.33 | 2962105.72 | 2750214.59 | 2965956.30 | 2151110.33 | 2230723.19 | 2931759.50 | 1999981.12 | |
| 2-Dehydro-D-xylonate | 2544517.89 | 1156934.10 | 8806155.77 | 4596150.42 | 7039924.00 | 4170411.78 | 747196.44 | 715936.19 | |
| 2-Deoxy-D-ribose 5-phosphate | 116142.03 | 88394.51 | 143932.09 | 95909.68 | 120679.08 | 140874.08 | - | 31796.61 | |
| 2-Ethylhexyl phthalate | 144831.83 | 127930.12 | 133429.37 | 155906.11 | 129665.50 | 152266.80 | 134421.81 | 133438.80 | |
| 2-Formaminobenzoylacetate | 236026.00 | 149052.78 | 193184.51 | 164076.27 | 168406.13 | 122338.17 | 156384.16 | 283733.50 | |
| 2-Hydroxy-2,4-pentadienoate | 1146326.71 | 855649.77 | 968834.20 | 886282.71 | 850575.58 | 1056556.70 | 710927.00 | 377801.47 | |
| 2-Hydroxy-3-oxoadipate | 709444.85 | 834297.33 | 815291.48 | 744253.94 | 466431.29 | 556252.50 | 575497.00 | 479240.69 | |
| 2-Hydroxy-3-oxopropanoate | 131079.49 | 206624.13 | 199054.10 | 189848.25 | 85313.55 | 208788.43 | 141442.02 | 72786.05 | |
| 2-Hydroxybutanoic acid | 856770.31 | 698758.02 | 679338.48 | 594271.19 | 390253.39 | 837628.00 | 798719.62 | 556100.88 | |
| 2-Hydroxyethanesulfonate | 1571769.68 | 1093948.03 | 1100851.53 | 1264579.20 | 663259.75 | 984512.70 | 970384.94 | 627690.62 | |
| 2-Hydroxymalonate | 72504.06 | 22366.26 | 67700.56 | 83627.91 | 21628.59 | 113631.79 | 16015.31 | 8852.95 | |
| 2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone | 249157.27 | 204483.00 | 255521.74 | 266690.68 | 228340.80 | 216994.87 | 225777.52 | 269541.91 | |
| 2-Methyl-3-hydroxybutyricacid | 439500.35 | 341805.57 | 446762.71 | 358185.48 | 263832.25 | 294924.33 | 115642.97 | 379172.53 | |
| 2-Methylcitrate | 103933.82 | 48666.74 | 88110.97 | 91463.45 | 42108.22 | 132739.18 | 53874.63 | 35686.05 | |
| 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose | 52842.72 | 96520.96 | 81157.93 | 53244.31 | 42876.95 | 58041.19 | 83125.43 | 36103.83 | |
| 2-Oxobutanoate | 8919745.05 | 5834324.12 | 5416721.12 | 5104700.40 | 5144458.08 | 5978343.88 | 6142427.50 | 3969124.00 | |
| 2-Oxoglutaramate | 2174271.48 | 1167453.84 | 2199767.97 | 2264963.15 | 2157610.21 | 3271381.44 | 1671112.38 | 2764517.50 | |
| 2-Oxoglutarate | 144946.41 | 448158.45 | 188532.56 | 133471.43 | 135701.38 | 290863.78 | 214393.53 | 167919.16 | |
| 2-Oxosuccinamate | 2023630.20 | 1250054.09 | 1757488.03 | 2017676.75 | 1813289.62 | 1558071.41 | 1323597.88 | 2007870.50 | |
| 2-Protocatechoylphloroglucinolcarboxylate | 639491.80 | 610512.88 | 827161.94 | 655822.04 | 351456.57 | 745241.60 | 600877.81 | 1100128.88 | |
| (2R,4S)-2,4-Diaminopentanoate | 178643.32 | 124379.07 | 134102.92 | 191509.00 | 125355.54 | 161041.08 | 134635.94 | 230513.06 | |
| (2S)-2-Isopropyl-3-oxosuccinate | 88726.56 | 73338.73 | 116347.07 | 103003.60 | 98514.51 | 89119.36 | 56701.70 | 63166.29 | |
| 3,4-Dihydroxyphenylacetaldehyde | 211230.63 | 173464.11 | 246780.93 | 231155.53 | 328942.34 | 220942.76 | 102450.22 | 300688.12 | |
| 3-(4-Hydroxyphenyl)lactate | 2465479.96 | 671840.45 | 950523.88 | 860851.74 | 884333.75 | 1294662.34 | 727248.12 | 1106083.75 | |
| 3-(4-Hydroxyphenyl)pyruvate | 394590.37 | 46637.51 | 69689.18 | 73620.47 | 292434.88 | 202620.94 | 50429.77 | 703197.81 | |
| 3,5/4-Trihydroxycyclohexa-1,2-dione | 193433.59 | 190437.08 | 52325.28 | 92059.69 | 59660.17 | 81441.62 | 181601.61 | 75627.62 | |
| 3,6,8-Trimethylallantoin | 202871.00 | 116741.20 | 187343.56 | 181317.50 | 207489.47 | 155955.68 | 192447.41 | 249186.34 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate | 1305625.87 | 834651.69 | - | 182366.44 | 119833.38 | 198269.01 | 1163055.12 | - | |
| 3-Amino-1-methyl-5H-pyrido[4,3-b]indole | 60516.94 | 85140.90 | 82666.40 | 75015.39 | 63717.98 | 59099.30 | 78364.57 | 90127.55 | |
| 3-beta-D-Galactosyl-sn-glycerol | 330321.99 | 170064.67 | 302084.48 | 458646.45 | 173447.67 | 210478.40 | 123053.62 | 227534.95 | |
| 3-butenyl-thiohydroximate-O-sulfate | 131434.07 | 86272.90 | 156932.67 | 136577.72 | 33749.32 | 131863.43 | - | - | |
| 3-Deoxy-D-manno-octulosonate 8-phosphate | 39526.29 | 74600.23 | 27654.81 | 45190.00 | - | 41551.79 | 116108.69 | 8828.01 | |
| 3-Ethylmalate | 826951.99 | 993602.88 | 664223.29 | 819311.29 | 2562610.58 | 1007604.39 | 659957.00 | 574189.12 | |
| 3-Hydroxydodecanedioicacid | 298258.05 | 158333.94 | 475117.04 | 451811.15 | 348534.73 | 302700.59 | 143963.94 | 234785.94 | |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 83589.59 | 86748.04 | 76113.93 | 77046.91 | 102180.68 | 87477.49 | 91859.12 | 47306.80 | |
| 3-Hydroxypropenoate | 128296.34 | 184935.60 | 132256.48 | 104110.91 | 96054.63 | 157753.76 | 194653.22 | 109150.55 | |
| 3-Hydroxysebacicacid | 65230.71 | 62711.52 | 102721.58 | 67485.55 | 81906.39 | 52312.93 | 55933.44 | 60696.66 | |
| 3-Hydroxytetradecanedioicacid | 196377.60 | 124700.96 | 292981.07 | 210713.18 | 224927.16 | 200953.41 | 85323.65 | 163850.72 | |
| 3-ketothreonine | 200969.01 | 149886.09 | 117962.38 | 140224.85 | 91396.03 | 121455.13 | 132181.86 | 160891.48 | |
| 3-Methyl-2-oxobutanoic acid | 156481.89 | 134024.97 | 196728.73 | 175568.45 | 251401.66 | 147004.16 | 112105.57 | 140942.31 | |
| 3-(Methylthio)propionic acid | 393346.56 | - | 559029.48 | 295397.07 | 168146.87 | 172748.17 | - | 178419.00 | |
| 3-Oxododecanoic acid | 812750.14 | 587527.89 | 1133667.02 | 846694.16 | 1178088.71 | 949807.89 | 643660.25 | 801357.44 | |
| 3-Oxopropanoate | 236982.00 | 209480.67 | 282049.55 | 266552.74 | 173118.51 | 256111.46 | 344991.78 | 386134.16 | |
| 3-Propylmalate | 75295.25 | 64331.30 | 100900.10 | 91435.26 | 87586.72 | 64929.35 | 60873.77 | 60719.98 | |
| (3S,5S)-carbapenam | 158170.06 | 136384.06 | 124369.39 | 200831.37 | 84107.22 | 240918.46 | 77173.22 | 178882.45 | |
| 3-Succinoylpyridine | 194025.50 | 379754.20 | 626907.22 | 283575.36 | 340640.48 | 345022.63 | 156168.17 | 158017.73 | |
| 3-sulfopropanoate | 143104.15 | 108224.32 | 156662.88 | 250275.70 | 153445.64 | 222312.73 | 106083.52 | 110499.96 | |
| 3-ureidoacrylate | 287708.32 | 188492.41 | 230248.37 | 249989.00 | 184254.02 | 213476.90 | 156500.66 | 100853.09 | |
| 3-Ureidoisobutyrate | 425105.59 | 419327.38 | 283270.39 | 445236.53 | 392903.79 | 386207.89 | 401573.97 | 341600.53 | |
| 4-(2-Aminophenyl)-2,4-dioxobutanoate | 3638410.10 | 1910673.84 | 2716991.03 | 2696027.55 | 2706432.25 | 3047344.00 | 2538452.25 | 3654848.75 | |
| 4-Amino-4-deoxychorismate | 49590.01 | 79306.49 | 94159.44 | 28903.46 | 64739.71 | 67570.14 | 46109.93 | 13249.01 | |
| 4-Dedimethylamino-4-oxo-anhydrotetracycline | 196785.73 | 33957.36 | 171915.49 | 210863.72 | 165191.58 | 130776.28 | 55192.07 | 115017.71 | |
| 4-Dihydroxyethyl-8,9-epoxy-enediyne | 105206.55 | 131350.49 | 55108.44 | 55553.35 | 24399.58 | 62241.29 | 49197.22 | 65396.82 | |
| 4-Hexyloxyphenol | 371116.17 | 263869.70 | 650091.23 | 546989.93 | 653190.36 | 430838.99 | 286543.50 | 826867.94 | |
| 4-Hydroxyaminoquinoline N-oxide | 92530.59 | 90141.98 | 96958.12 | 64022.19 | 60211.17 | 91954.10 | 43478.94 | 14087.40 | |
| 4-Hydroxybutanoic acid | 3077237.05 | 2405506.19 | 1089830.23 | 4512947.78 | 1783028.32 | 2775383.38 | 3876930.00 | 748173.38 | |
| 4-Methylene-L-glutamate | 661363.60 | 456489.54 | 801288.84 | 927638.44 | 888871.83 | 575960.43 | 480843.28 | 803166.69 | |
| 4-Oxoglutaramate | 450712.85 | 251811.96 | 317680.77 | 241982.10 | 226025.58 | 247044.24 | 177362.20 | 171953.45 | |
| 4-Pyridoxate | 611769.05 | 401640.10 | 488900.88 | 491834.11 | 841717.72 | 474410.38 | 806886.00 | 253172.52 | |
| (4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate | 1431737.76 | 1948703.39 | 2316743.84 | 1679947.68 | 3009731.23 | 2673917.00 | 2484516.00 | 2488205.75 | |
| 5-(2-Hydroxyethyl)-4-methylthiazole | 1069600.34 | 1021009.41 | 947797.37 | 296288.88 | 722674.90 | 979772.36 | 1062336.12 | 1969428.50 | |
| 5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)- ... | 254839.69 | 143222.89 | 103396.89 | 134682.50 | 191709.95 | 273032.76 | 148348.34 | 140584.75 | |
| 5,6-Dihydrouracil | 135457.13 | 77224.59 | 78545.11 | 65963.86 | 39308.48 | 106842.04 | 76686.70 | 96966.60 | |
| 5-6-Dihydrouridine | 186952.71 | 129912.80 | 134988.68 | 166663.57 | 124052.79 | 129945.29 | 159095.66 | 79144.56 | |
| 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline | 9486554.90 | 5607512.75 | 6954847.75 | 7085941.50 | 6413596.83 | 5796670.12 | 6275261.00 | 9092674.00 | |
| 5-Acetylamino-6-formylamino-3-methyluracil | 290048.80 | 190063.99 | 491453.29 | 447632.06 | 85873.40 | 251235.91 | 367466.25 | 311540.38 | |
| 5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone | 250184.78 | 76382.52 | 629475.69 | 285648.60 | 187312.44 | 781376.19 | 34555.64 | 66521.57 | |
| 5^-chloroformycin | 409143.65 | 467041.53 | 1519215.20 | 818215.53 | 514144.65 | 1024488.77 | 408893.59 | 425630.94 | |
| 5-Dehydro-4-deoxy-D-glucarate | 9698624.70 | 12236065.50 | 7500959.75 | 8815268.00 | 4695220.29 | 9768103.38 | 12798677.00 | 4357709.00 | |
| (+-)-5-Deoxykievitone | 118211.14 | 383814.46 | 235133.54 | 116160.26 | 253533.68 | 270974.24 | 159047.78 | 111898.23 | |
| 5-Hydroxymethyldeoxycytidylate | 81664.26 | 84329.78 | 36709.63 | 61913.43 | 13093.71 | 58518.19 | 48905.89 | 14546.19 | |
| 5-Hydroxypentanoate | 5233764.55 | 3457518.78 | 4503467.69 | 4370705.55 | 3200524.67 | 5461984.88 | 1744382.25 | 4941276.50 | |
| 5-L-Glutamylglycine | 140189.14 | 90122.58 | 94453.40 | 194575.50 | 100154.38 | 164957.02 | 115010.92 | 204198.48 | |
| 5-Methyltetrahydrofolate | 213981.83 | 130585.19 | 101047.50 | 170533.80 | 131127.17 | 159860.32 | 177618.67 | 157595.80 | |
| 5^-methylthioinosine | 89434.23 | 57535.15 | 104365.35 | 86524.36 | 161353.31 | 84296.22 | 59599.27 | 85280.00 | |
| (5-Phenyl-1,2,4-triazol-3-yl)urea | 290098.90 | 163347.23 | 192187.46 | 214611.45 | 231151.46 | 250174.68 | 262378.09 | 428948.62 | |
| 6-Acetyl-D-glucose | 232326.54 | 285620.69 | 165487.97 | 248048.13 | 185633.13 | 283171.33 | 187495.95 | 168933.98 | |
| 6-endo-Hydroxycineole | 986477.06 | 658048.44 | 930157.73 | 819236.58 | 961898.19 | 878084.48 | 718550.25 | 964852.50 | |
| 6-Hydroxymellein | 3368752.70 | 2229041.53 | 7422129.31 | 6664409.97 | 5693100.75 | 4370023.50 | 1671977.75 | 5009578.00 | |
| 6-Methylpretetramide | 4019039.50 | 4828152.81 | 2041699.72 | 2154053.12 | 4638285.90 | 3073617.47 | 5814843.00 | 4825921.00 | |
| 6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid | 20063911.00 | 5598402.19 | 18993087.25 | 31023875.20 | 9665841.32 | 14874860.75 | 4012122.50 | 10510196.00 | |
| 6-Oxocineole | 527839.80 | 301326.39 | 624584.92 | 442707.53 | 461255.79 | 571972.67 | 320530.03 | 507298.72 | |
| 6-Phospho-2-dehydro-D-gluconate | 94390.31 | 156938.88 | 512458.26 | 188497.57 | 48195.08 | 245283.21 | 47251.07 | 59043.13 | |
| 6-Phospho-D-gluconate | 924984.33 | 731774.12 | 329730.39 | 211334.96 | 91105.40 | 695434.92 | 772883.56 | 495733.78 | |
| 7-Aminocephalosporanic acid | 113850.15 | 119533.02 | 113426.28 | 165936.65 | 134492.49 | 136050.39 | 85380.51 | 90245.62 | |
| 7-methylthioheptyl glucosinolate | 203893.24 | 85267.54 | 97235.99 | 125850.15 | - | 885445.72 | 85959.68 | - | |
| 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b^]dipyran-4-one | 791749.80 | 313176.30 | 420727.16 | 573319.13 | 603460.36 | 437722.11 | 567852.81 | 1324019.00 | |
| 8-oxo-7,8-dihydro-2^-GTP | 394705.85 | 345008.18 | 86697.98 | 186775.47 | 126421.54 | 144118.12 | 443556.94 | 543437.00 | |
| 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R... | 7012941.20 | 4223129.94 | 4307423.28 | 5459864.90 | 2438635.06 | 5082730.81 | 2693458.25 | 5214702.00 | |
| 9S,15S-dihydroxy-11-oxo-16,16-dimethyl-5Z,13E-prostadienoic ... | 1587211.34 | 625984.67 | 1736137.61 | 2884228.12 | 561027.59 | 1760556.28 | 487208.00 | 1911409.12 | |
| Acetoacetate | 2438955.19 | 1433648.78 | 1905943.91 | 2293248.90 | 1602507.88 | 1781101.38 | 1377343.88 | 769093.81 | |
| Acetyl-maltose | 115215.96 | 118165.14 | 60093.36 | 139891.36 | 369099.84 | 118169.88 | 81273.19 | 99582.82 | |
| Acetyl phosphate | 96726.65 | 62706.92 | 71403.14 | 134651.82 | 93145.00 | 91926.80 | 60329.28 | 105830.03 | |
| Acetylpyruvate | 1061659.31 | 1250793.44 | 1045474.77 | 1059916.93 | 760752.36 | 1199531.09 | 726666.69 | 481085.66 | |
| a Cysteine adduct | 2137498.60 | 8696979.81 | 12432031.50 | 2350971.91 | 10469314.17 | 3994671.93 | 6222591.00 | 1106603.50 | |
| Adenine | 2587983.92 | 3508922.88 | 1803305.67 | 1375682.15 | 3455731.29 | 1609043.08 | 1942978.50 | 860926.12 | |
| Ala-Lys-Met-Trp | 2106700.42 | 2413432.62 | 4006060.12 | 3214682.40 | 2760729.08 | 2674926.16 | 2526022.75 | 2906688.50 | |
| Alizarin | 187356.16 | 159858.54 | 183750.50 | 158747.91 | 152131.74 | 160034.57 | 130715.85 | 210005.02 | |
| Allantoin | 796783.19 | 527794.11 | 616458.48 | 734089.26 | 445855.29 | 721951.67 | 522916.00 | 393878.47 | |
| Allogibberic acid | 89035.88 | 82015.43 | 55569.42 | 65335.00 | 56807.02 | 75730.02 | 78306.76 | 63844.82 | |
| allopurinol | 445711.86 | 364314.82 | 565482.87 | 573439.11 | 282756.54 | 357294.95 | 358009.66 | 301209.50 | |
| alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate ... | 1112055.60 | 1923865.96 | 6987889.44 | 2586915.29 | 1015472.80 | 1410340.16 | 124435.82 | 2602816.50 | |
| alpha-D-Glucose | 552689.86 | 547265.47 | 632437.56 | 623596.86 | 566824.39 | 405397.16 | 499778.38 | 264802.91 | |
| Anacardic acid | 1170863.10 | 557897.66 | 1476710.89 | 1993655.16 | 223146.17 | 1592066.66 | 333835.69 | 1766124.38 | |
| Anatalline | 545705.98 | 651538.76 | 564601.29 | 480076.26 | 553850.91 | 554966.30 | 748212.19 | 1122520.88 | |
| Apigeninidin | 80355.69 | 236464.79 | 153911.47 | 64356.18 | 27971.71 | 224243.18 | 84741.38 | 27711.10 | |
| Apiole | 1192507.02 | 800893.44 | 2294745.66 | 1217251.49 | 3928844.50 | 1009618.81 | 757581.00 | 2666512.50 | |
| Ascorbate 2-sulfate | 132110.34 | 113824.85 | 116658.36 | 146179.54 | 54722.15 | 338622.16 | 134950.52 | 44813.67 | |
| Asp-Cys-Gly | 164305.57 | 203050.85 | 117938.14 | 121925.42 | 225041.76 | 771898.02 | 161535.88 | 114758.54 | |
| ATP | 122056.75 | 130324.61 | 143310.09 | 65127.92 | 24338.99 | 94865.18 | 132207.31 | 69991.02 | |
| Bakkenolide A | 411900.62 | 281132.41 | 307890.12 | 341723.45 | 731666.20 | 296841.66 | 290172.78 | 390111.41 | |
| Bendiocarb | 112357.57 | 49855.10 | 79147.03 | 86398.62 | 70341.71 | 86282.35 | 47767.72 | 66305.33 | |
| beta-Cymaropyranose | 365608.54 | 215746.89 | 554634.87 | 944732.43 | 1415224.39 | 541898.52 | 62302.73 | 103360.27 | |
| beta-D-Digitalopyranose | 388604.24 | 334825.46 | 878563.62 | 886177.65 | 568225.59 | 597315.42 | 25381.54 | 93661.27 | |
| beta-D-Glucose | 1030372.94 | 1222488.28 | 949521.08 | 860275.88 | 552271.48 | 890688.07 | 1109659.25 | 967399.75 | |
| betaine aldehyde hydrate | 61377.12 | 89359.39 | 104260.99 | 117165.29 | 51810.63 | 86369.97 | 34129.47 | 45510.59 | |
| Botrydial | 133600.86 | 112665.71 | 123960.15 | 209726.30 | 83969.85 | 130469.14 | 140919.59 | 84201.99 | |
| Butanoic acid | 408968.45 | 170862.58 | 241004.93 | 295846.95 | 298631.35 | 292857.68 | 249277.25 | 277887.25 | |
| Butanoylphosphate | 136447.56 | 102272.16 | 103531.21 | 165496.10 | 116197.32 | 128207.13 | 120508.69 | 196926.70 | |
| captopril | 156359.48 | 173449.54 | 196139.33 | 175326.18 | 128045.15 | 130145.91 | 126688.96 | 136155.03 | |
| Carbetamide | 1237376.39 | 289087.14 | 661382.50 | 1154204.74 | 427890.65 | 854134.29 | 829109.31 | 2018296.38 | |
| Carpacin | 214424.87 | 205268.19 | 414854.83 | 377456.89 | 271848.23 | 176241.42 | 210477.00 | 393465.62 | |
| CDP-ribitol | 141802.19 | 96844.84 | 95189.34 | 118155.13 | 93233.67 | 110455.06 | 96255.66 | 149177.56 | |
| Cellopentaose | 128682.90 | 101987.44 | 73656.97 | 106721.65 | 234745.58 | 102214.12 | 86636.48 | 122791.61 | |
| Centarol | 182448.06 | 191065.48 | 188943.27 | 225351.65 | 133867.80 | 178531.67 | 486761.25 | 125929.33 | |
| Cer(d40:1) | 354642.74 | 353049.65 | 368512.36 | 379143.15 | 258171.02 | 326591.73 | 241859.12 | 273063.75 | |
| Chelilutine | 843296.01 | 1277391.75 | 868110.89 | 1061343.41 | 732413.24 | 972415.36 | 1365099.12 | 1230277.50 | |
| Chelirubine | 84664.75 | 73380.54 | 74363.03 | 31379.81 | 36269.03 | 35083.00 | 110474.46 | 71865.09 | |
| Cholate | 4256308.78 | 6119949.09 | 570789.15 | 926191.69 | 359172.99 | 1517885.31 | 5183852.50 | 622183.31 | |
| Cholesterolsulfate | 7367862.75 | 5647842.94 | 7436404.75 | 6907005.25 | 8452017.67 | 13226920.75 | 5040140.00 | 7520869.50 | |
| cis-Acetylacrylate | 813143.62 | 581666.07 | 690398.22 | 645191.66 | 643515.91 | 756984.00 | 462918.66 | 291583.34 | |
| cis-Aconitate | 927753.34 | 708699.62 | 969580.25 | 866508.46 | 408713.16 | 2876816.31 | 655749.25 | 467020.25 | |
| CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z)) | 6540655.10 | 5676016.00 | 3501026.56 | 2814477.30 | 4699489.58 | 5723525.38 | 4148644.50 | 3729862.00 | |
| CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) | 8729752.80 | 7006267.75 | 6130003.69 | 4279019.80 | 6726511.83 | 8516089.12 | 7658626.50 | 8971444.00 | |
| CoA-glutathione | 573704.01 | 279642.45 | 520025.18 | 372424.56 | 180076.87 | 329257.98 | 172362.08 | 143981.56 | |
| Crotonoside | 89657.33 | 89218.09 | 37145.19 | 56401.76 | 54631.85 | 70996.09 | 67818.70 | 44769.37 | |
| Cryogenine | 60058.54 | 60364.76 | 89773.35 | 66377.98 | 71326.46 | 64446.26 | 24384.55 | 10212.23 | |
| Cys-Cys-Gly-Tyr | 8278911.20 | 6155207.62 | 14692407.75 | 11141316.00 | 8433269.42 | 5849815.92 | 1337101.50 | 14395936.00 | |
| Cystathionine | 568498.94 | 93757.39 | 165118.50 | 185410.96 | 146796.32 | 129957.99 | 55008.79 | 219933.78 | |
| CysteineMercaptoethanol disulfide | 255289.83 | 390796.34 | 211400.76 | 150427.43 | 151001.01 | 167087.62 | 191602.05 | 202623.97 | |
| Cytomycin | 99353.82 | 84930.66 | 68301.85 | 106415.37 | 72413.12 | 77613.21 | 141326.50 | - | |
| D-2-Hydroxyisocaproate | 129337.84 | 125177.28 | 206432.66 | 199771.62 | 214742.44 | 146983.18 | 103194.88 | 280809.56 | |
| D-4^-Phosphopantothenate | 145618.15 | 206580.60 | 100531.04 | 80292.06 | - | 162398.67 | 139895.14 | 92003.11 | |
| D-Arabinonate | 1433036.31 | 1864264.16 | 824446.92 | 1549552.79 | 933203.12 | 1192795.00 | 1790355.75 | 1514583.00 | |
| D-Arabitol | 1019758.43 | 873531.47 | 1271617.69 | 1232721.62 | 878943.85 | 1013700.34 | 1270426.00 | 1733980.38 | |
| D-Asparagine | 435675.31 | 220740.66 | 160646.04 | 489875.31 | 279880.20 | 352522.23 | 372278.66 | 798587.38 | |
| Deacetylcephalosporin C | 121840.89 | 53681.28 | 63310.88 | 130437.24 | 32354.11 | 91022.51 | 34470.51 | 35869.97 | |
| Deaminohydroxyblasticidin S | 141036.68 | 112557.28 | 136468.86 | 147883.42 | 140412.77 | 117726.79 | 128589.91 | 86737.75 | |
| delta1-Piperideine-2-carboxylate | 82994.57 | 100484.78 | 73970.34 | 52610.67 | 66432.51 | 90840.68 | 147977.72 | 60945.39 | |
| Deoxyribose | 67262.13 | 54804.73 | 81880.32 | 67203.20 | 63233.68 | 66456.29 | 41096.12 | 70473.27 | |
| Deoxyuridine | 870828.98 | 328385.52 | 359947.27 | 772930.74 | 776656.94 | 733268.22 | 513822.34 | 627588.50 | |
| Dephospho-CoA | 284953.69 | 83254.96 | 49857.83 | 326278.38 | 783881.19 | 183672.03 | 299412.12 | 278191.25 | |
| D-Erythrose | 618352.51 | 540366.27 | 668053.02 | 436055.67 | 378097.57 | 528898.06 | 246311.77 | 748694.94 | |
| D-Galactarate | 199371.65 | 293524.92 | 254026.50 | 204956.12 | 130588.48 | 308919.65 | 318291.56 | 125420.20 | |
| D-Galactose | 3771999.11 | 2535882.75 | 3334040.31 | 2720844.67 | 2555557.96 | 3384992.69 | 2232284.75 | 1151813.25 | |
| D-Glucarate | 253537.71 | 408665.02 | 536417.78 | 332123.80 | 722560.09 | 1212896.37 | 539969.50 | 567493.62 | |
| D-Gluconic acid | 3532639.08 | 2362034.06 | 4550219.56 | 5383316.70 | 2848026.25 | 8721054.88 | 2457387.00 | 3471793.75 | |
| D-Glucono-1,5-lactone | 147823.19 | 271791.46 | 191133.70 | 450199.61 | 114250.61 | 261877.94 | 183227.59 | 183425.75 | |
| D-Glucuronate | 146924.05 | 408483.19 | 250590.71 | 175743.38 | 146558.16 | 193738.03 | 373092.56 | 107723.13 | |
| D-Glycerate | 833301.68 | 318356.83 | 820956.46 | 785480.38 | 308903.63 | 546821.16 | 486478.38 | 306955.00 | |
| Dibenz[a,h]anthracene | 2909135.16 | 1268627.69 | 3744639.91 | 2314498.62 | 3093595.75 | 2541784.06 | 1696158.50 | 931472.81 | |
| Dihydrogenphosphate | 165482.72 | 79171.76 | 114335.12 | 160757.88 | 212407.58 | 184362.96 | 61343.11 | 260941.98 | |
| Diisopropyl adipate | 289649.34 | 227236.64 | 484336.67 | 385188.54 | 393017.75 | 229060.47 | 173059.44 | 483805.44 | |
| Diketogulonicacid | 1796931.32 | 1953752.34 | 1858514.81 | 1530061.89 | 1444318.23 | 1603412.53 | 1510180.25 | 1177449.38 | |
| D-Mannitol 1-phosphate | 113674.36 | 79898.03 | 71353.45 | 75561.26 | 61226.15 | 97271.66 | 87390.90 | 87871.81 | |
| D-Mannonate | 2987408.92 | 5354724.38 | 5445720.00 | 4090365.05 | 2668643.21 | 5864134.44 | 10659606.00 | 3397988.25 | |
| Docosanoic acid | 1274013.69 | 949905.22 | 1709831.00 | 1458228.78 | 1766746.60 | 1685455.66 | 853388.69 | 1461242.88 | |
| Dodecanedioic acid | 499317.75 | 259859.89 | 589017.31 | 511500.55 | 691058.51 | 402668.49 | 173059.44 | 826764.44 | |
| D-Proline | 90673.12 | 82710.68 | 115056.47 | 124411.51 | 81689.20 | 179970.58 | 61504.96 | 509091.88 | |
| D-Ribitol 5-phosphate | 117225.56 | 139035.75 | 136439.60 | 94956.92 | 56854.79 | 142795.41 | 99324.23 | 74569.36 | |
| D-Ribose | 245477.40 | 521425.22 | 86321.38 | 64510.74 | 98871.36 | 180601.20 | 191271.08 | 107707.11 | |
| D-Ribulose 5-phosphate | 2278905.95 | 877243.09 | 1656269.02 | 2652523.08 | 2555781.75 | 2726621.25 | 1989956.00 | 2496184.00 | |
| D-Sedoheptulose 7-phosphate | 3994984.15 | 1174369.11 | 2119141.62 | 3969606.15 | 2416995.23 | 3440023.75 | 1125208.12 | 2933974.75 | |
| dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose | 276921.55 | 131070.04 | 370145.70 | 603434.38 | 322548.17 | 240244.11 | 119417.41 | 450137.06 | |
| D-Threonine | 69883.83 | 58755.75 | 69285.27 | 99461.24 | 70642.17 | 199676.18 | 77732.05 | 212148.31 | |
| D-Xylonate | 732365.46 | 1032506.12 | 886597.58 | 604253.29 | 645566.32 | 1150289.36 | 1217300.38 | 389154.38 | |
| D-Xylonolactone | 759908.38 | 786240.00 | 1171648.20 | 1054658.00 | 1571096.58 | 2725730.16 | 1184894.25 | 1211702.88 | |
| (E)-3-(Methoxycarbonyl)pent-2-enedioate | 203306.80 | 97948.75 | 132690.83 | 147843.05 | 386120.36 | 157791.55 | 179015.53 | 271800.03 | |
| (E)-Glutaconate | 1147249.75 | 1034360.34 | 1372856.81 | 2139739.17 | 1187473.38 | 2753007.19 | 827493.00 | 859070.06 | |
| Epinephrinesulfate | 88710.93 | 84376.22 | 73860.34 | 124169.26 | 159478.80 | 70594.34 | 73271.09 | 252564.86 | |
| Erythritol | 87319.58 | 55317.89 | 76797.34 | 83320.72 | 62710.09 | 64443.08 | 68688.92 | 86388.82 | |
| Erythronicacid | 3340776.98 | 5491301.25 | 6122692.00 | 3304290.90 | 2352493.98 | 7265549.73 | 7479594.00 | 1597427.12 | |
| Erythrulose 1-phosphate | 343378.33 | 147541.01 | 480272.34 | 317753.67 | 366761.30 | 261350.05 | 165338.34 | 254308.02 | |
| [FA (10:0/2:0)] Decanedioic acid | 869411.32 | 676840.94 | 1357723.39 | 1175279.49 | 1656575.94 | 763686.50 | 471939.22 | 1478415.75 | |
| FA (10:2) Decadienoic acid | 1063527.35 | 1388283.47 | 1646536.47 | 683594.81 | 1803353.12 | 1611941.78 | 963403.75 | 432942.59 | |
| [FA (11:0/2:0)] Undecanedioic acid | 86715.84 | 69545.48 | 156339.34 | 100628.42 | 202685.52 | 97168.21 | 66909.38 | 121550.66 | |
| FA (12:1) dodecenoic acid | 793001.22 | 788376.45 | 891686.16 | 825408.81 | 777813.96 | 994528.27 | 549017.12 | 762683.81 | |
| FA (14:1) tetradecenoic acid | 2143916.67 | 2152117.50 | 2188656.53 | 2671027.17 | 1897836.33 | 2637105.00 | 1510690.75 | 2078323.00 | |
| FA(16:1) | 52483652.80 | 41066526.00 | 48740397.00 | 70275436.00 | 43901929.33 | 65394299.00 | 34972556.00 | 51971928.00 | |
| FA (18:1) | 143887865.60 | 127807410.00 | 173565944.00 | 213288089.60 | 167045920.00 | 200271176.00 | 96804040.00 | 162800832.00 | |
| FA (20:1) | 4268106.30 | 4226117.06 | 5463770.69 | 5557104.35 | 4446671.08 | 5990780.12 | 2531254.50 | 5967008.50 | |
| FA (20:2) | 4078422.15 | 2803046.94 | 4515621.06 | 5063045.10 | 3702403.92 | 5048183.06 | 3262204.50 | 7147480.00 | |
| FA (20:4) | 107129149.60 | 84559230.00 | 94586694.00 | 122807433.60 | 104328490.67 | 120733726.00 | 90328688.00 | 112934768.00 | |
| [FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid | 9944817.80 | 7087534.38 | 9862192.88 | 12491227.10 | 6960073.83 | 11027211.25 | 8612024.00 | 13790187.00 | |
| [FA (24:0)] 15Z-tetracosenoic acid | 2325193.98 | 1940270.53 | 2457023.19 | 3822692.55 | 1871118.04 | 3514866.03 | 1570639.00 | 3151212.25 | |
| [FA (7:0/2:0)] Heptanedioic acid | 86434.65 | 72760.71 | 128404.39 | 97776.18 | 170200.20 | 95381.75 | 72443.59 | 82893.62 | |
| FA (8:0) octanoic acid | 19649629.00 | 14825331.00 | 53003217.88 | 50854516.80 | 41701410.00 | 22599786.50 | 15930240.00 | 27630318.00 | |
| FA (8:1) | 520879.44 | 394519.97 | 778847.33 | 591135.72 | 820215.93 | 528708.80 | 346031.44 | 530718.81 | |
| FA (8:1) octenal | 553649.56 | 303796.58 | 946670.13 | 919151.85 | 767692.40 | 629292.83 | 137154.62 | 728362.25 | |
| FA (9:2) nonadienoic acid | 1060003.90 | 314397.41 | 1347034.16 | 1203762.97 | 1185875.95 | 568683.98 | 159180.08 | 1411492.75 | |
| Fagomine | 479303.06 | 298306.20 | 287945.57 | 278836.26 | 247234.09 | 329498.95 | 324659.25 | 233824.84 | |
| FA hydroxy(10:0) | 4688925.83 | 4312614.50 | 12516932.22 | 11238996.00 | 5126432.25 | 5926784.38 | 1928872.38 | 10332972.00 | |
| [FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid | 437512.54 | 329998.55 | 918626.27 | 634607.19 | 676744.14 | 536141.56 | 334948.44 | 728651.81 | |
| [FA hydroxy(11:1)] undecenoic acid | 629337.22 | 474844.45 | 1066545.48 | 797456.90 | 1509363.83 | 878605.80 | 347570.72 | 1335342.50 | |
| FA hydroxy (18:2) | 25181488.20 | 8759389.38 | 22549923.25 | 30562255.00 | 9319910.92 | 27410230.50 | 6728118.00 | 25710736.00 | |
| FA hydroxy(18:2) | 1040322.50 | 573123.47 | 1726196.17 | 967989.84 | 3053899.83 | 1868561.84 | 622684.25 | 1061134.00 | |
| FA hydroxy(7:0) | 13166044.20 | 8905305.12 | 32062486.25 | 27414000.00 | 22665933.00 | 14995330.00 | 9174415.00 | 17498638.00 | |
| FA hydroxy(8:0) hydroxy-octanoic acid | 889509.18 | 703124.35 | 1611437.53 | 1408086.26 | 1708071.02 | 1131922.11 | 569631.94 | 1802174.38 | |
| FA methyl(12:0) dodecanoic acid | 1192819.51 | 1034260.94 | 1532206.94 | 1237828.31 | 2071562.04 | 1327831.48 | 878944.69 | 1433125.00 | |
| FA methyl(15:0) tridecanedioic acid | 945904.40 | 851151.28 | 1157681.10 | 1193719.35 | 630746.33 | 633086.29 | 785575.12 | 1066510.25 | |
| FA methyl(16:1) | 2129500.08 | 1748436.50 | 2685171.12 | 2357357.80 | 2448159.54 | 2567449.19 | 1122317.75 | 2075180.62 | |
| [FA methyl(4:1)] 2-methyl-2E-butenoic acid | 183304.95 | 196748.03 | 141163.52 | 151184.81 | 147180.11 | 145277.96 | 266382.12 | 75939.43 | |
| FA methyl(6:0) | 6279982.65 | 5039905.69 | 11773003.94 | 9999614.10 | 8276488.17 | 5571494.00 | 3691736.50 | 7639761.00 | |
| FA methyl (8:1) | 741160.25 | 666041.20 | 1193153.20 | 673691.58 | 1140731.56 | 828801.09 | 488282.88 | 696977.06 | |
| FA oxo(10:0) | 892113.09 | 671644.37 | 1517994.73 | 1286221.45 | 1648005.50 | 1051615.39 | 614630.38 | 1907644.12 | |
| [FA oxo(14:0)] 3-oxo-tetradecanoic acid | 649645.29 | 664916.54 | 932649.84 | 833945.66 | 799580.71 | 770213.09 | 602255.75 | 779471.88 | |
| FA oxo(16:0) | 1548926.05 | 1158473.14 | 2025349.16 | 1513491.15 | 2987921.38 | 1676732.41 | 1015889.69 | 1742513.88 | |
| FA oxo(18:0) | 2336265.15 | 1622701.25 | 3254294.81 | 2480566.99 | 5318118.92 | 2648577.25 | 1690010.00 | 2958478.25 | |
| FA oxo(9:0) oxo-nonanoic acid | 8679927.50 | 7724696.12 | 18003491.00 | 14514792.70 | 17075840.67 | 8329812.44 | 5556719.00 | 20362904.00 | |
| [FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acid | 91461.98 | 96550.47 | 89551.92 | 68819.93 | 82887.63 | 80326.78 | 69322.12 | 20676.48 | |
| Fasoracetam | 317378.71 | 161714.79 | 619377.14 | 360425.14 | 373011.82 | 376949.61 | 134879.97 | 324384.34 | |
| [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid | 36809898.00 | 30913392.50 | 41323557.00 | 33611144.00 | 26629322.67 | 32078711.50 | 30170134.00 | 11538812.00 | |
| furaneol glucopyranoside | 623212.11 | 238879.43 | 480373.44 | 839594.75 | 777223.55 | 326240.40 | 138879.22 | 1082675.12 | |
| Furfural diethyl acetal | 370651.10 | 200929.74 | 554700.90 | 435687.03 | 559467.05 | 344925.70 | 149173.53 | 413044.84 | |
| [Fv] 4-Methoxylonchocarpin | 172063.04 | 276018.61 | 64179.49 | 45895.57 | 27953.70 | 116670.12 | 238147.12 | 54329.09 | |
| Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-... | 2159589.27 | 1315344.88 | 1070198.55 | 1445692.90 | 744870.10 | 1720082.41 | 1588834.50 | 890045.50 | |
| gamma-Glutamyl-beta-aminopropiononitrile | 604032.60 | 119793.18 | 722798.48 | 1827432.81 | 1955574.88 | 740615.30 | 138376.14 | 942111.62 | |
| gamma-Glutamyl-beta-cyanoalanine | 65141.60 | 173746.93 | 72226.79 | 101076.76 | 80707.55 | 91165.55 | 157623.97 | 107967.99 | |
| gamma-glutamyl-p-nitroanilide | 206984.45 | 175143.41 | 476027.79 | 619142.16 | 110993.17 | 192737.10 | 183309.44 | 158730.38 | |
| gamma-L-Glutamyl-L-cysteine | 243335.31 | 295720.97 | 79863.92 | 109754.20 | 696638.82 | 277438.80 | 628343.38 | 686796.44 | |
| GDP | 169204.21 | 172323.16 | 159764.57 | 104521.59 | 78587.70 | 179257.60 | 89166.01 | 139334.59 | |
| glutathione-sulfite | 122275.10 | 96205.94 | 152037.43 | 119086.55 | 91811.14 | 207881.23 | 61843.25 | 34358.08 | |
| Glycerol | 1560596.06 | 1148653.25 | 1644144.09 | 1615179.88 | 1891988.88 | 1560309.59 | 1697646.00 | 1595484.62 | |
| Glycerone phosphate | 674890.48 | 892111.33 | 767162.73 | 1108185.86 | 517666.92 | 1911821.70 | 1176453.00 | 583562.06 | |
| Harzianopyridone | 479293.71 | 110185.57 | 180963.75 | 336289.19 | 189704.37 | 226507.89 | 77112.39 | 109623.45 | |
| Hexadecanal | 519228.06 | 785055.34 | 656410.93 | 1014626.20 | 338772.35 | 810641.97 | 698108.06 | 303639.84 | |
| hexanediol 1,6-bisphosphate | 992036.85 | 623431.90 | 714450.02 | 814478.75 | 374308.92 | 738822.42 | 638652.56 | 432226.84 | |
| Hexanoic acid | 15312133.50 | 10752161.88 | 36691152.50 | 40510172.80 | 34622246.67 | 21777980.00 | 10654341.00 | 21165450.00 | |
| Hexobarbitone | 957177.86 | 397394.11 | 525832.38 | 934840.21 | 588939.00 | 578116.88 | 628676.31 | 1749182.38 | |
| Hexose phosphate | 34828764.40 | 15737050.00 | 26927294.00 | 32353223.20 | 36900004.33 | 28011226.50 | 15904946.00 | 26918958.00 | |
| Homocysteinesulfinicacid | 1074581.46 | 287250.12 | 602726.33 | 579796.49 | 335045.17 | 1069988.72 | 175771.53 | 117044.23 | |
| Hydantoin-5-propionate | 2044983.50 | 1870204.50 | 1882035.69 | 1819964.68 | 2560363.50 | 1868784.75 | 1686231.62 | 1631397.50 | |
| Hydroxymethylphosphonate | 670716.43 | 779293.12 | 517792.73 | 342848.93 | 655411.59 | 749820.56 | 779596.62 | 459389.78 | |
| Hydroxypropionylcarnitine | 99134.88 | 67517.93 | 72207.89 | 69490.68 | 64816.41 | 74257.49 | 67101.46 | 54477.41 | |
| Hydroxypyruvate | 278261.72 | 220306.44 | 338642.77 | 245083.18 | 368077.34 | 276907.08 | 261030.20 | 189483.19 | |
| Ile-Ile-Lys-Pro | 6824816.50 | 6350098.38 | 7040197.12 | 7525798.90 | 6595463.50 | 6398861.25 | 5909566.00 | 8240649.00 | |
| Ile-Ser | 1574791.98 | 496887.71 | 318657.68 | 1108126.89 | 1743144.62 | 1180284.44 | 1858623.38 | 881968.44 | |
| Imidazole lactate | 35519.65 | 172696.68 | 46723.55 | 34121.77 | 18557.89 | 76268.52 | 207011.45 | 145054.95 | |
| Indolelactate | 530714.20 | 174798.63 | 382132.87 | 398997.54 | 275547.46 | 313552.24 | 178522.50 | 241121.86 | |
| Indoxylsulfate | 1115361.27 | 1356595.66 | 1720714.70 | 1511426.18 | 932927.56 | 1471565.00 | 2419998.50 | 489688.28 | |
| Itaconate | 1147249.75 | 1036841.64 | 1287644.84 | 2139739.17 | 1244185.56 | 2753007.19 | 720946.50 | 1561750.38 | |
| (-)-Jasmonic acid | 177459.87 | 87879.86 | 344717.97 | 273716.82 | 290805.42 | 187365.47 | 87428.16 | 213561.52 | |
| L-2-Amino-3-oxobutanoic acid | 170295.93 | 59400.93 | 75598.54 | 81600.98 | 56046.91 | 105513.52 | 37152.69 | 59542.97 | |
| L-5-Carboxymethylhydantoin | 414220.57 | 270341.82 | 401732.26 | 428920.06 | 386994.44 | 324210.73 | 234904.28 | 552471.81 | |
| Lactosamine | 466063.28 | 178755.03 | 258134.44 | 284461.51 | 125942.04 | 357322.39 | 124725.16 | 90422.22 | |
| L-Cladinose | 2419957.57 | 1887942.75 | 4229687.31 | 4188116.48 | 4567845.42 | 2454822.81 | 1734441.00 | 4111217.25 | |
| L-Cysteate | 694844.03 | 575275.73 | 573545.78 | 567513.11 | 422679.23 | 619653.77 | 561869.81 | 493412.66 | |
| L-cysteine sulfinate | 106373.55 | 324546.14 | 146552.24 | 59519.31 | 93534.46 | 266731.71 | 94807.58 | - | |
| L-Dehydroascorbate | 343241.22 | 339551.83 | 935528.09 | 366740.97 | 428418.77 | 382408.56 | 141644.03 | 210888.20 | |
| L-Erythrulose | 488000.81 | 464066.45 | 501081.45 | 467050.54 | 381517.39 | 463533.63 | 492697.28 | 453998.41 | |
| L-Fuculose | 50581.94 | 82950.16 | 70744.78 | 68643.91 | 46700.30 | 108692.40 | 56080.96 | 132364.77 | |
| L-Fuculose 1-phosphate | 318758.18 | 438547.50 | 546014.12 | 368345.79 | 201273.26 | 568250.45 | 333385.41 | 245034.50 | |
| L-Glutamate methylester | 524892.89 | 189385.97 | 400058.99 | 560020.98 | 302343.94 | 504798.23 | 550435.19 | 1058442.88 | |
| L-Glycericacid | 70504.30 | 43395.87 | 72559.83 | 56975.66 | 16828.49 | 77936.57 | 61532.78 | 19397.30 | |
| Linatine | 84785.45 | 14219.53 | 28416.42 | 96296.97 | 66375.03 | 50849.46 | 28546.81 | 131465.38 | |
| LL-2,6-Diaminoheptanedioate | 10494.58 | 58485.54 | 32470.81 | 20378.55 | 11455.77 | 31437.50 | 33187.14 | 7774.83 | |
| L-Rhamnose | 15524601.80 | 38048299.50 | 48737383.50 | 15286335.30 | 12552786.33 | 20864768.50 | 1159242.00 | 2473046.25 | |
| LysoPE(0:0/14:0) | 413212.72 | 258851.38 | 339624.95 | 440001.81 | 387855.84 | 335833.38 | 346320.28 | 536617.88 | |
| LysoPE(18:2) | 913711.64 | 728550.46 | 847725.47 | 732347.56 | 1050440.92 | 765819.21 | 596937.31 | 949788.38 | |
| LysoPE(22:6) | 841713.49 | 789247.91 | 698852.12 | 638551.37 | 972256.88 | 786177.69 | 621829.50 | 742321.38 | |
| LysoPG(16:1(9Z)/0:0) | 1451977.73 | 1439714.56 | 1834000.38 | 2117708.83 | 1108544.12 | 2007253.69 | 1220647.12 | 1301648.12 | |
| Maleamate | 1455205.15 | 935631.11 | 1365283.38 | 1382979.88 | 1372875.08 | 1825269.53 | 1287058.38 | 2151270.00 | |
| Melibiitol | 3489444.73 | 1796582.84 | 3787617.06 | 4281462.40 | 2593719.50 | 2651417.97 | 2573205.25 | 2852912.00 | |
| MES | 73112.12 | 28691.14 | 91685.89 | 69423.18 | 99719.15 | 43783.68 | 8712.78 | 13545.92 | |
| Mesaconate | 847374.46 | 765962.83 | 566642.26 | 713747.11 | 553313.61 | 764635.59 | 819675.31 | 751249.06 | |
| methylene blue | 108109.57 | 146545.52 | 106415.66 | 119099.38 | 105359.86 | 96593.45 | 118734.70 | 74522.12 | |
| Methyl oxalate | 364522.07 | 420462.70 | 419795.34 | 386010.33 | 242392.10 | 359170.64 | 294884.94 | 278916.34 | |
| Methyloxaloacetate | 1736023.41 | 1867110.94 | 2333239.84 | 5126081.55 | 846941.52 | 2162825.53 | 1062489.62 | 1307958.88 | |
| Miserotoxin | 562042.56 | 136657.82 | 213151.63 | 351449.54 | 185486.29 | 389980.67 | 101668.32 | 103821.41 | |
| Monomethylglutaricacid | 991369.13 | 1590564.19 | 2337201.00 | 1423437.79 | 1573676.38 | 911675.95 | 136127.77 | 304509.06 | |
| Mukaadial | 194576.33 | 160224.29 | 280239.56 | 136202.65 | 222895.78 | 140045.40 | 242611.34 | 144979.12 | |
| Muramic acid | 120071.99 | 105943.73 | 126486.05 | 99821.07 | 92093.58 | 136572.53 | 98467.91 | 74949.02 | |
| N1-Methyl-2-pyridone-5-carboxamide | 1349596.55 | 1519878.62 | 1273771.70 | 1320277.10 | 1125103.79 | 1292237.62 | 1555772.75 | 660695.25 | |
| N2-Succinyl-L-ornithine | 236327.95 | 112724.58 | 63414.95 | 197814.27 | 92579.30 | 237323.63 | 213479.12 | 497131.47 | |
| N4-(Acetyl-beta-D-glucosaminyl)asparagine | 184889.70 | 94389.30 | 152977.29 | 262848.58 | 189761.98 | 263599.09 | 126944.81 | 186792.98 | |
| N4-acetyl-N4-hydroxy-1-aminopropane | 727933.57 | 569379.74 | 782329.22 | 840119.85 | 673023.15 | 1011104.66 | 633811.25 | 629151.25 | |
| N5-Ethyl-L-glutamine | 579969.88 | 188968.41 | 151975.42 | 535822.61 | 209900.14 | 290738.83 | 291159.22 | 784848.56 | |
| N-(6-Aminohexanoyl)-6-aminohexanoate | 763679.51 | 330577.33 | 288701.07 | 640617.56 | 543056.88 | 618857.23 | 732357.31 | 1612869.38 | |
| N-Acetylanthranilate | 1331652.56 | 1236745.78 | 1899514.77 | 2030495.68 | 2153546.83 | 1602314.88 | 972139.00 | 950856.94 | |
| N-Acetyl-D-fucosamine | 162416.48 | 67155.26 | 96112.29 | 118823.97 | 122343.88 | 115710.26 | 99098.45 | 97052.62 | |
| N-Acetyl-D-glucosamine 4-sulfate | 296012.01 | 231571.05 | 725076.10 | 1094117.74 | 220658.90 | 382803.36 | 237924.39 | 371731.81 | |
| N-acetyl -D- glucosaminitol | 28387706.40 | 18063107.00 | 16984678.75 | 16150237.80 | 15347641.67 | 18582982.50 | 18936968.00 | 12667671.00 | |
| N-Acetyl-D-mannosaminolactone | 145263.73 | 113017.90 | 73591.98 | 51913.27 | 47177.27 | 69791.26 | 88074.92 | 113715.26 | |
| N-Acetylglucosamine 4-sulfate | 1136685.34 | 338934.42 | 435558.73 | 951002.61 | 444801.85 | 896939.30 | 247487.83 | 832755.56 | |
| N-Acetyl-L-glutamate | 390687.15 | 218547.09 | 460575.02 | 592640.31 | 275029.97 | 669525.47 | 280320.06 | 342768.91 | |
| N-Acetyl-L-phenylalanine | 1157220.49 | 555953.43 | 898955.19 | 978910.39 | 548877.57 | 922530.58 | 513252.06 | 433186.06 | |
| N-Acetyl-O-acetylneuraminate | 85965.07 | 59122.01 | 115302.80 | 169393.83 | 56756.73 | 82763.54 | 47009.86 | 52261.68 | |
| N-acetyl-serotonin sulfate | 197266.26 | 307221.60 | 566123.70 | 191697.58 | 140266.42 | 336006.40 | - | 18867.30 | |
| N-Acetylvanilalanine | 176573.40 | 55315.50 | 116170.71 | 154205.71 | 105241.51 | 159153.39 | 170666.83 | 315302.75 | |
| NADPH | 54688.87 | 101524.59 | 29444.67 | 24839.96 | 33368.37 | 52292.43 | 78391.68 | 24503.14 | |
| N-Amidino-L-glutamate | 348224.64 | 64500.23 | 154695.63 | 309285.14 | 216087.91 | 301435.29 | 109541.20 | 367631.38 | |
| N-Butyl-beta-carboline-3-carboxylate | 452609.22 | 1115971.39 | 800920.73 | 295471.84 | 358558.32 | 682188.85 | 610747.50 | 278240.50 | |
| N-Carbamyl-L-glutamate | 205086.59 | 159674.75 | 141643.74 | 207191.73 | 149721.18 | 168362.63 | 183719.98 | 287918.09 | |
| N-Formyl-L-aspartate | 83089.89 | 34011.99 | 95662.71 | 61843.41 | 28433.12 | 90671.60 | 34813.68 | 41387.61 | |
| N-Formyl-L-glutamate | 246888.06 | 246871.42 | 176094.82 | 198670.78 | 149215.36 | 207015.73 | 153437.08 | 158799.25 | |
| N-Glycolyl-D-mannosamine 6-phosphate | 104865.99 | - | 111576.95 | 119455.03 | 109280.88 | 204900.04 | 47896.96 | 45434.73 | |
| N-hydroxy-N-isopropyloxamate | 650238.26 | 290509.29 | 595376.07 | 438545.65 | 470123.97 | 708650.16 | 382987.28 | 752863.50 | |
| N-Lignoceroylsphingosine | 560666.56 | 213948.73 | 425027.99 | 589351.13 | 258368.43 | 337548.84 | 218656.91 | 336475.44 | |
| N-Methyl-2-oxoglutaramate | 79230.08 | 85158.35 | 83077.22 | 81439.06 | 56245.89 | 106069.07 | 70295.73 | 72244.92 | |
| N,N-Dihydroxy-L-tyrosine | 86205.24 | 44044.34 | 91807.94 | 60783.95 | 21947.41 | 44537.32 | - | - | |
| N-(octadecanoyl)-sphinganine-1-phospho-(1^-myo-inositol) | 83416.31 | 90812.14 | 123923.07 | 148780.59 | 71862.21 | 100156.63 | 80598.96 | 50743.37 | |
| norsalsolinol | 101058.36 | 94487.29 | 82116.89 | 113117.58 | 67609.18 | 171782.73 | 74958.57 | 484310.12 | |
| N-Undecanoylglycine | 1138795.51 | 678533.42 | 1408745.88 | 873986.64 | 1852194.79 | 1152893.59 | 543589.62 | 1077887.88 | |
| O-Acetyl-L-serine | 4831125.85 | 4130484.44 | 3128196.22 | 3868086.60 | 1950121.21 | 3271981.09 | 4077844.00 | 4592616.50 | |
| O-beta-D-Glucopyranosyl-cis-zeatin | 121482.91 | 85351.32 | 132823.11 | 150482.19 | 117464.49 | 182438.82 | 70248.53 | 162695.38 | |
| octulose 8-phosphate | 291886.46 | 178269.59 | 156154.29 | 196823.59 | 153086.71 | 236155.88 | 159577.69 | 144167.69 | |
| O-Oxalylhomoserine | 581048.49 | 402541.70 | 444505.70 | 572216.26 | 368061.94 | 432623.84 | 382990.88 | 449933.91 | |
| Orotate | 1590103.48 | 914422.70 | 1157776.45 | 2151181.55 | 2723778.52 | 1595771.74 | 626759.88 | 2389107.25 | |
| Orotidine | 2793591.67 | 1727263.62 | 2102888.91 | 2180787.73 | 1707811.04 | 1910757.52 | 1546972.88 | 1551046.00 | |
| Orotidine(fragment) | 344874.34 | 197869.36 | 284811.45 | 347159.10 | 164458.32 | 476307.57 | 210270.81 | 195727.98 | |
| Oxaloacetate 4-methyl ester | 54525.73 | 64374.94 | 70610.36 | 59400.61 | 57675.41 | 82383.89 | 33357.10 | 39740.71 | |
| [PA(14:0/0:0)] 1-tetradecanoyl-2-sn-glycero-3-phosphate | 451347.61 | 279715.06 | 370822.98 | 515787.69 | 360348.58 | 437132.48 | 347412.16 | 492695.09 | |
| [PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate | 2286802.65 | 1741777.94 | 1976794.94 | 1953137.30 | 1968569.58 | 1448058.19 | 1737790.88 | 2185246.00 | |
| PA(P-42:4) | 2312022.17 | 1920922.56 | 1848777.38 | 1807157.35 | 1710411.79 | 3326898.28 | 820793.38 | 1656592.38 | |
| PC(15:1) | 162980.40 | 90801.54 | 189557.40 | 307103.17 | 183852.77 | 342119.60 | 143367.31 | 218748.05 | |
| PC(O-13:0) | 548530.51 | 381878.73 | 386712.84 | 738653.53 | 293567.19 | 640842.55 | 599139.50 | 922916.00 | |
| P-DPD | 223361.58 | 271423.86 | 134177.64 | 170011.89 | 137968.05 | 329946.19 | 222701.81 | 96291.02 | |
| [PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolami... | 10586259.40 | 5779124.75 | 6471236.88 | 11007789.30 | 9822522.83 | 7658313.83 | 8062395.50 | 11466964.00 | |
| PE(16:2) | 2349521.62 | 2045946.97 | 1274266.81 | 2148597.38 | 1498268.92 | 1784376.46 | 2473985.50 | 5858503.50 | |
| PE(34:1) | 2354591.10 | 2323189.59 | 2600836.97 | 3132242.52 | 1994367.48 | 4135676.44 | 2146630.25 | 1584230.50 | |
| PE(34:2) | 3714281.35 | 3186601.75 | 3545673.75 | 3389611.23 | 2476515.67 | 5721368.62 | 3226581.75 | 2108151.75 | |
| PE(36:1) | 980335.66 | 1114305.44 | 1229580.52 | 1386786.10 | 788575.10 | 1905649.20 | 359858.56 | 1390149.50 | |
| [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glyce... | 14316336.00 | 9248857.25 | 14415223.25 | 18765315.60 | 11489233.33 | 14790732.50 | 9575809.00 | 7949772.50 | |
| [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glyce... | 2243571.35 | 1502803.31 | 2252808.62 | 3292305.70 | 1291682.33 | 2292412.94 | 1463756.62 | 942843.19 | |
| [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-... | 4314233.45 | 4305700.56 | 6104285.75 | 8770249.80 | 3233663.33 | 5384382.38 | 3320655.00 | 2812361.50 | |
| PG(18:2(9Z,12Z)/0:0) | 5390747.33 | 4717713.62 | 5738647.19 | 6701450.55 | 3305491.08 | 6069773.38 | 5300787.00 | 2345489.50 | |
| [PG (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-... | 3161656.17 | 2614062.66 | 2553007.88 | 3358301.15 | 1947119.33 | 2987881.94 | 2505244.75 | 1705720.50 | |
| PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 5532557.30 | 3651198.44 | 3229350.56 | 5167169.55 | 2805653.25 | 4415127.00 | 2292700.00 | 3301942.75 | |
| PG(30:0) | 10181734.45 | 8792198.50 | 11044046.50 | 18578618.20 | 7642664.33 | 14246452.75 | 8896368.00 | 5196315.50 | |
| PG(30:1) | 1069776.34 | 868590.41 | 1321723.28 | 2507233.20 | 777487.73 | 1549591.41 | 925238.75 | 825845.06 | |
| PG(32:0) | 56069735.60 | 66828049.00 | 75454226.00 | 75702064.00 | 42714271.33 | 87745160.00 | 64259240.00 | 26136848.00 | |
| PG(32:1) | 49313666.40 | 45389941.50 | 49816455.00 | 76686834.40 | 31880320.67 | 66166838.00 | 35927104.00 | 21979748.00 | |
| PG(32:2) | 3264416.30 | 2624017.72 | 3712734.47 | 7049783.10 | 2203823.38 | 4609455.25 | 1601832.00 | 1566682.38 | |
| PG(34:1) | 115256264.00 | 124109240.00 | 157349456.00 | 193118828.80 | 75904949.33 | 170258716.00 | 85921656.00 | 55780828.00 | |
| PG(34:2) | 137835012.00 | 120641376.00 | 154291730.00 | 185290563.20 | 78112173.33 | 173333190.00 | 143044784.00 | 57283440.00 | |
| PG(34:3) | 8427569.05 | 7809332.12 | 10175547.88 | 14427293.80 | 4947374.75 | 11847584.75 | 6913922.00 | 3780621.75 | |
| PG(36:3) | 20021137.80 | 18576900.25 | 26430742.25 | 47369775.20 | 10288425.33 | 30711542.00 | 19006614.00 | 11761455.00 | |
| PG(38:4) | 9979762.90 | 9243306.62 | 9103004.50 | 13333730.00 | 5755378.00 | 11482193.25 | 9188987.00 | 4129055.00 | |
| PG(38:5) | 19288248.50 | 17740426.00 | 17025138.00 | 25928046.00 | 8765051.67 | 21734054.50 | 11861588.00 | 6927633.50 | |
| PG(38:6) | 40927950.00 | 33676165.00 | 27212876.50 | 47274402.40 | 17002756.67 | 41948054.00 | 24486552.00 | 11588467.00 | |
| PG(40:7) | 8062960.00 | 5766121.69 | 6772590.62 | 12008766.80 | 3862712.67 | 9043041.62 | 3635058.50 | 7590785.50 | |
| PG(42:10) | 3373015.60 | 1749777.53 | 1726099.50 | 2975270.15 | 1614320.88 | 2640548.16 | 1093251.38 | 2303695.00 | |
| PG(44:12) | 5677390.30 | 2059339.78 | 2205528.62 | 3936048.85 | 3349699.71 | 3684944.12 | 1185088.50 | 6549178.00 | |
| PGP(38:5) | 723648.88 | 534204.02 | 672494.56 | 980509.81 | 518569.66 | 742478.58 | 531156.56 | 608826.19 | |
| Phenylacetic acid | 77074.61 | 78323.30 | 38189.95 | 46662.80 | 68751.03 | 58242.48 | 43927.32 | 43833.11 | |
| Phenylacetylglycine | 1751740.76 | 833212.20 | 1427949.64 | 1483980.11 | 976539.29 | 1340243.25 | 1231179.00 | 380349.50 | |
| Phenyllactate | 222799.33 | 70341.67 | 226732.66 | 172855.78 | 160447.07 | 191438.71 | 73950.80 | 156797.88 | |
| Phenylpropanoate | 9080286.85 | 5779057.62 | 19651324.50 | 15982787.10 | 15851097.00 | 12296248.12 | 6466518.00 | 16391722.00 | |
| Phenylpyruvate | 392459.39 | 49291.01 | 135110.11 | 124371.46 | 818102.10 | 445658.13 | 29024.84 | 954361.75 | |
| Phosphoenolpyruvate | 60051.10 | 25039.35 | 179809.52 | 31854.12 | 60606.50 | 205477.84 | 82177.02 | 38321.30 | |
| [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inosi... | 1762964.44 | 798589.66 | 1385410.41 | 1740521.30 | 2451147.96 | 1739088.12 | 1201685.12 | 4193402.75 | |
| [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-myo-inosi... | 2656388.83 | 999242.44 | 1740645.91 | 2382085.60 | 2672838.96 | 2079494.46 | 1178040.38 | 3500876.25 | |
| [PI(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-p... | 1657153.12 | 1041013.22 | 1170914.48 | 1734345.95 | 1260037.60 | 1301509.67 | 1152397.25 | 2242663.75 | |
| PI(34:2) | 3657146.35 | 3137401.12 | 5329532.12 | 6079815.40 | 4336934.75 | 6164453.62 | 5104386.50 | 6604200.00 | |
| PI(36:2) | 3106945.65 | 1959384.22 | 3889168.69 | 6652142.60 | 4053717.38 | 4661930.28 | 2402709.25 | 6807481.00 | |
| PI(36:4) | 9639466.60 | 12003882.50 | 10893399.12 | 10718163.40 | 8768191.17 | 12877302.25 | 14480446.00 | 10487271.00 | |
| PI(38:5) | 5840571.10 | 6129625.38 | 6758864.88 | 9024235.40 | 4487100.67 | 8220031.25 | 5747822.00 | 5510159.00 | |
| PIP(38:4) | 809397.22 | 1016741.20 | 913726.93 | 418152.68 | 250809.58 | 915020.81 | 756101.56 | 312030.31 | |
| p-Phenolsulfonic acid | 751550.75 | 686160.16 | 465975.13 | 454375.47 | 352314.81 | 739982.06 | 827737.12 | 223023.39 | |
| [PR] N-tryptophanyl-35-aminobacteriohopane-32,33,34-triol | 12577604.20 | 11905275.75 | 10989644.50 | 14920771.60 | 9556666.83 | 12767920.67 | 12629239.00 | 8486979.00 | |
| [PR] Tretinoin/All-Trans Retinoic Acid | 942605.12 | 816671.25 | 1238843.77 | 991202.53 | 1202207.02 | 1063774.48 | - | - | |
| PS(18:0) | 1346022.98 | 735436.53 | 1341128.64 | 1642868.46 | 1817038.21 | 1310581.21 | 708502.31 | 1581267.25 | |
| [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine | 527929.61 | 246680.78 | 395273.13 | 523925.33 | 606036.06 | 509130.90 | - | 646444.19 | |
| PS(39:4) | 3329187.75 | 2799042.00 | 3298816.81 | 2890336.10 | 3044354.00 | 3261519.75 | 3066977.50 | 2368171.00 | |
| PS(40:4) | 6957564.45 | 7200009.75 | 7166479.50 | 5101721.10 | 4959098.00 | 6869022.69 | 7317496.00 | 3675244.25 | |
| Pseudouridine | 692369.88 | 510830.01 | 558203.48 | 718569.19 | 452330.71 | 530156.64 | 489998.09 | 422297.12 | |
| PS(O-34:0) | 18811498.20 | 25175052.50 | 26963090.50 | 25714323.60 | 18684905.33 | 21110088.00 | 24654516.00 | 15080235.00 | |
| PS(O-34:1) | 719858.93 | 779944.02 | 899173.20 | 1255334.40 | 530924.54 | 867059.77 | 693084.44 | 401520.16 | |
| Psychosine | 1169332.82 | 642586.72 | 613571.05 | 965169.29 | 851107.69 | 1130854.70 | 1110805.00 | 1398116.12 | |
| Pyruvate | 296022.64 | 176665.97 | 258589.63 | 388677.99 | 353552.58 | 301226.14 | 236049.16 | 427719.03 | |
| Pyruvate oxime | 83744.63 | 44522.85 | 81288.96 | 49188.74 | 66707.55 | 48257.50 | 27165.85 | 49994.16 | |
| (R)-2-Ethylmalate | 2038987.77 | 1400403.94 | 2027803.19 | 2896776.23 | 1640727.58 | 2328616.25 | 1354944.88 | 1612247.50 | |
| (R)-2-Hydroxyglutarate | 4394672.05 | 3872535.31 | 4470082.88 | 5146678.65 | 3368474.67 | 14877866.12 | 3704648.75 | 5496990.50 | |
| (R)-3-Hydroxy-3-methyl-2-oxopentanoate | 263019.61 | 407373.71 | 459597.02 | 380326.72 | 423265.95 | 377389.05 | 88914.71 | 285776.19 | |
| Raffinose | 1653063.27 | 1652186.34 | 856837.56 | 1928839.52 | 2008800.50 | 1869723.94 | 1047597.75 | 1567269.25 | |
| (R)-AMAA | 147268.67 | 105131.84 | 113522.52 | 156957.91 | 110927.75 | 206693.56 | 90800.95 | 149142.02 | |
| Retinol | 1211791.24 | 1869962.97 | 1441528.42 | 990913.43 | 1550175.04 | 1444767.22 | 1423624.75 | 854914.25 | |
| (S)-1-Pyrroline-5-carboxylate | 248272.07 | 642200.31 | 137210.79 | 113508.11 | 57796.59 | 669988.67 | 652967.00 | 94834.25 | |
| (S)-2-Aceto-2-hydroxybutanoate | 213300.90 | 338082.96 | 895182.98 | 149331.30 | 712283.52 | 406263.23 | 45004.91 | 57116.72 | |
| (S)-2-Acetolactate | 567894.16 | 474463.70 | 497922.85 | 501315.51 | 457171.39 | 480580.91 | 394855.03 | 280491.09 | |
| S-(3-oxo-3-carboxy-n-propyl)cysteine | 126948.57 | 115180.76 | 68524.93 | 92893.58 | 36732.92 | 189379.77 | 56520.51 | 36298.00 | |
| S-Adenosyl-L-homocysteine | 1229670.34 | 1166693.22 | 1170450.92 | 858232.53 | 839915.27 | 1032580.61 | 1419418.75 | 969738.75 | |
| S-Adenosyl-L-methionine | 131123.29 | 105259.27 | 111548.58 | 132904.84 | 150643.52 | 148312.82 | 111995.06 | 141468.44 | |
| (S)-Carnitine | 1861460.10 | 1109119.00 | 1009550.39 | 1257587.50 | 900777.52 | 1112504.72 | 885183.31 | 753305.94 | |
| (S)-F-Willardiine | 150328.25 | 113778.94 | 259635.97 | 187928.80 | 108031.92 | 147290.01 | 66625.27 | 106672.16 | |
| S-Inosyl-L-homocysteine | 56060.42 | 71710.18 | 54871.39 | 39391.52 | 54321.55 | 59609.56 | 36147.80 | 25516.99 | |
| (S)-Lactate | 101366004.00 | 84742380.00 | 113589423.00 | 125314736.00 | 70077460.00 | 116170040.00 | 155052480.00 | 149469424.00 | |
| sn-glycero-3-Phosphocholine | 4579728.03 | 3117248.25 | 3033435.09 | 4818394.10 | 4239950.25 | 4095884.38 | 4247013.00 | 6108374.00 | |
| sn-Glycerol 3-phosphate | 16183093.30 | 10764933.75 | 10805983.75 | 16932881.60 | 14763799.67 | 15120751.25 | 15550495.00 | 22516308.00 | |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine | 2426982.00 | 1909010.12 | 2049376.97 | 2395883.45 | 2031420.08 | 2341771.00 | 1883386.62 | 1733939.88 | |
| [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine | 3084785.75 | 2935566.88 | 2425422.38 | 3225092.77 | 2650975.46 | 3722070.88 | 2958616.25 | 2954060.25 | |
| [SP (24:0)] N-(tetracosanoyl)-sphing-4-enine | 2755239.30 | 2392478.28 | 2007340.84 | 2384226.00 | 2236494.46 | 2694616.00 | 2304056.25 | 2054407.62 | |
| S-Succinylglutathione | 830838.23 | 795878.35 | 506515.09 | 726197.01 | 591409.35 | 800402.75 | 1979381.25 | 802383.06 | |
| S-sulfanylglutathione | 138598.42 | 130317.25 | 159167.01 | 153234.89 | 98605.36 | 118394.51 | 120461.63 | 117135.70 | |
| [ST (12:0) homo-seco-cholestatrien-tetrol | 636955.93 | 617389.86 | 636576.50 | 592583.07 | 589005.75 | 551410.71 | 564119.94 | 530242.62 | |
| [ST hydrox] N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine 3... | 3514515.47 | 9722551.75 | - | 3617069.41 | - | 1817184.25 | 10226544.00 | - | |
| Succinate | 9428328.95 | 4152853.44 | 7036285.56 | 13862670.70 | 13100398.67 | 11063816.75 | 12948764.00 | 23191900.00 | |
| Sulfoacetaldehyde | 229738.60 | 60937.72 | 169142.86 | 116800.37 | 109150.42 | 119378.74 | 23579.24 | 37784.11 | |
| Taurocyamine | 60294.85 | 93114.34 | 140177.50 | 183458.75 | 46982.43 | 121410.44 | 104170.91 | 66714.11 | |
| Taurodeoxycholate | 1311316.97 | 14946613.00 | 279573.66 | 2173143.60 | - | 3562975.38 | 18587148.00 | - | |
| Taurohyocholate | 16883079.92 | 84098078.27 | 1046410.98 | 19805525.08 | 388181.03 | 10518430.05 | 182518016.00 | 640890.25 | |
| Tauropine | 156777.54 | 160623.88 | 157481.27 | 117743.11 | 111613.17 | 126762.23 | 91724.05 | 106520.05 | |
| Tetracosanoic acid | 2535042.67 | 1901468.59 | 2112716.59 | 2847536.65 | 2382960.50 | 3517100.19 | 2862853.00 | 2168720.50 | |
| Tetracosatetraenoicacidn-6 | 1294114.07 | 873037.78 | 936654.14 | 1707482.00 | 999524.29 | 1263374.05 | 867051.25 | 1908235.75 | |
| Tetradecanoic acid | 36619916.80 | 22929640.00 | 33554614.50 | 45236887.20 | 40459623.33 | 40623483.00 | 25179166.00 | 38432964.00 | |
| TG(51:8) | 230925.44 | 149056.81 | 149286.07 | 127116.68 | 163002.98 | 149291.21 | 125499.23 | 165323.19 | |
| Thiophanate-methyl | 153258.44 | 100386.10 | 131590.91 | 188516.60 | 174159.05 | 110368.06 | 140698.05 | 140439.45 | |
| THTC | 198948.04 | 206469.37 | 268323.26 | 342432.58 | 158183.30 | 332805.43 | 259281.53 | 194761.38 | |
| trans-Aconitate | 235810.02 | 51640.73 | 170497.26 | 265737.68 | 217985.60 | 683988.98 | 40677.34 | 191142.14 | |
| Tributyrin | 1229874.12 | 629799.34 | 1758125.34 | 1207089.02 | 2970584.08 | 979018.75 | 655248.06 | 2263944.50 | |
| Tuberonic acid glucoside | 197834.96 | 85484.93 | 100947.11 | 179045.21 | 83513.88 | 197752.20 | 69203.34 | 108002.06 | |
| UDP-D-xylose | 218464.70 | 212987.43 | 187982.54 | 204949.51 | 185714.00 | 237509.68 | 289583.91 | 343215.16 | |
| Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine... | 2719939.27 | 1627950.25 | 1733913.19 | 1950236.52 | 1446729.15 | 1880251.50 | 1175481.88 | 1817228.62 | |
| Urate | 22828685.60 | 18946460.75 | 21194211.25 | 17783371.00 | 12773553.00 | 18754626.75 | 24109420.00 | 19729004.00 | |
| Urea-1-carboxylate | 1934282.00 | 1277725.59 | 1523044.94 | 1565266.10 | 1472914.67 | 1695165.03 | 1065358.12 | 1256907.25 | |
| Urethane | 152967.53 | 126148.66 | 179332.38 | 217474.72 | 99732.78 | 159735.29 | 112876.07 | 152855.23 | |
| Valerylglycine | 1165219.16 | 477310.66 | 1355253.28 | 1129650.38 | 987255.83 | 1100451.90 | 292043.94 | 450467.75 | |
| Vomifoliol | 252712.02 | 108947.99 | 284803.37 | 291211.71 | 289225.05 | 193617.61 | 137764.84 | 90926.88 | |
| Xylobiose | 86100.51 | 104847.07 | 65210.53 | 91294.07 | 125089.75 | 102338.21 | 74928.20 | 68048.76 | |
| Zoapatanol | 2609838.70 | 981437.87 | 2812500.22 | 3051160.81 | 2863115.50 | 2873463.19 | 541256.38 | 1211965.12 |
Factors:
| F1 | treatment:Kras |
| F2 | treatment:Kras/Keap1 |
| F3 | treatment:Kras/Keap1/Lkb1 |
| F4 | treatment:Kras/Lkb1 |
| F5 | treatment:Kras/p53 |
| F6 | treatment:QC |
| F7 | treatment:YFP(WT)/Kras/Keap1/p53(WT) |
| F8 | treatment:YFP(WT)/Kras/Keap1(WT)/p53 |
