Data for ST003565
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| "11,12,13-TriHOME" | 51153.05 | 46726.10 | 46742.72 | 58408.75 | |
| "11,14,17-Eicosatrienoic acid" | 1146959.22 | 1353339.67 | 1145844.62 | 1233342.04 | |
| 1-[18-hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol | 308079.84 | 180396.13 | 187767.36 | 187305.78 | |
| "1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3... | 115365.55 | 297029.42 | 181261.76 | 330047.85 | |
| "1,2-dibutyrin" | 86797.76 | 74935.01 | 78526.94 | 108813.28 | |
| 1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine | 122578.30 | 125822.29 | 142743.09 | 145033.51 | |
| 1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine | 240577.44 | 273385.80 | 341827.95 | 307337.32 | |
| 13-cis-Retinal | 948298.12 | 904884.50 | 885294.58 | 996881.67 | |
| 14^-apo-beta-Carotenal | 306484.94 | 345054.88 | 314920.23 | 356142.96 | |
| 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone | 204672.14 | 180687.15 | 192074.17 | 181943.14 | |
| 1-Arachidonoylglycerophosphoinositol | 257354.92 | 498977.51 | 371123.52 | 438619.01 | |
| 1-Deoxy-D-altro-heptulose 7-phosphate | 544381.23 | 220654.72 | 258408.78 | 211549.08 | |
| 1-Oleoylglycerophosphoserine | 536317.56 | 2440418.25 | 1788130.25 | 2424470.67 | |
| 1-Oleylglycerol | 106772.70 | 131496.61 | 120155.64 | 96164.46 | |
| 1-Palmitoylglycerophosphoinositol | 670610.52 | 478051.98 | 697910.98 | 473585.61 | |
| "(1R*,3R*,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)... | 271679.38 | 296917.26 | 338805.31 | 326876.89 | |
| 1-(sn-Glycero-3-phospho)-myo-inositol | 259255.57 | 263234.95 | 198397.12 | 229365.29 | |
| 1-Stearoylglycerophosphoglycerol | 2961714.56 | 2247983.92 | 2752422.50 | 2236141.08 | |
| 1-Stearoylglycerophosphoinositol | 2564089.38 | 1762397.92 | 2010286.12 | 1587668.50 | |
| 1-Stearoylglycerophosphoserine | 352894.98 | 469772.08 | 407645.28 | 444225.94 | |
| 1-thio-beta-D-glucose | 3990457.38 | 2017953.54 | 2647526.83 | 1943051.75 | |
| "2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene" | 58962.81 | 78659.09 | 72709.63 | 78749.24 | |
| "2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic ... | 4149227.06 | 2436755.67 | 3821720.83 | 2192061.25 | |
| "2,3,5-Trihydroxytoluene" | 293045.12 | 219040.17 | 234742.76 | 206961.00 | |
| "2,3,6-Trihydroxypyridine" | 133186.50 | 137249.42 | 142955.71 | 166475.34 | |
| "2,3-Diaminosalicylic acid" | 120238.04 | 125855.34 | 137102.94 | 134581.34 | |
| "2,3-Dihydroxycyclopentaneundecanoic acid" | 170795.55 | 199698.39 | 209962.03 | 169858.22 | |
| "2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehy... | 126551.26 | - | 59509.39 | - | |
| "2,5,6-Trihydroxy-5,6-dihydroquinoline" | 188821.43 | 165427.12 | 165559.36 | 151475.74 | |
| "2,5-Dimethyl-1H-pyrrole" | 323259.43 | 265265.33 | 267184.65 | 270384.38 | |
| "2,5-Dioxopentanoate" | 1722375.25 | 1617494.75 | 1639367.54 | 1526973.21 | |
| "2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutan... | 24421.60 | 75966.52 | 26486.86 | 57174.48 | |
| "2,6-Dihydroxy-N-methylmyosmine" | 122034.40 | 78382.67 | 129031.32 | 67012.93 | |
| "2,7-Anhydro-alpha-N-acetylneuraminic acid" | 2365968.81 | 2593315.50 | 2466964.83 | 2536980.92 | |
| 2-Aceto-2-hydroxybutanoic acid | 331462.23 | 398749.41 | 326309.32 | 353989.33 | |
| 2-Acetolactate | 680788.33 | 964737.00 | 759266.56 | 1107718.65 | |
| "2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin ... | 148863.66 | 173865.17 | 166142.60 | 155912.82 | |
| 2-amino-2-deoxy-isochorismate | 430003.88 | 463734.25 | 434830.74 | 476807.80 | |
| 2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid | 780794.72 | 498224.77 | 597675.99 | 524823.76 | |
| "2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate" | 187074.14 | 196134.73 | 189568.03 | 198970.45 | |
| 2-Amino-3-carboxymuconic acid semialdehyde | 152836.51 | 89182.79 | 117952.55 | 72962.04 | |
| "2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(... | - | 95355.45 | 3759.00 | 154385.43 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2... | 143455.64 | - | 48663.40 | - | |
| "2-amino-4-[(2-{[1-carboxy-2-(6,7-dimethoxy-2H-1,3-benzodiox... | 130784.09 | 41682.72 | 86219.38 | 38390.55 | |
| 2-Amino-4-methylenepentanedioic acid | 212048.48 | 111542.59 | 177647.06 | 117227.12 | |
| 2-amino-4-methylphenol | 120422.36 | 107365.53 | 110273.88 | 103346.10 | |
| 2-Aminomuconic acid | 152711.06 | 120388.25 | 136325.09 | 103764.33 | |
| 2-chloro-2-iodoacetamide | 1262090.91 | 1247096.88 | 1456643.46 | 1377817.17 | |
| "2-C-methyl-D-erythritol-2,4-cyclodiphosphate" | 2249163.00 | 330202.73 | 939119.85 | 309136.20 | |
| 2-C-Methyl-D-erythritol 4-phosphate | 1859583.62 | 111492394.67 | 20653826.67 | 103923010.67 | |
| 2-Decarboxyphyllocactin | 168389.22 | 99396.36 | 131367.68 | 116304.24 | |
| 2-Dehydro-3-deoxy-D-glucarate | 804621.53 | 694570.23 | 685009.17 | 818271.06 | |
| "2-Deoxy-2,3-dehydro-N-acetylneuraminic acid" | 1569192.22 | 1795354.00 | 1735660.12 | 1831986.83 | |
| 2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate | 95231.55 | 42193.53 | 49048.86 | - | |
| 2-Ethylhexanoic acid | 922827.11 | 670390.85 | 923160.90 | 1008035.21 | |
| "2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic... | 273038.10 | 187541.27 | 236487.96 | 214756.45 | |
| "(2-hydroxy-2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2... | 447933.93 | 34433.06 | 237188.25 | 31529.07 | |
| "2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino... | 894394.50 | 839237.12 | 798908.27 | 826783.23 | |
| 2-Hydroxydecanoate | 102036.33 | 115012.66 | 120305.22 | 102075.59 | |
| 2-Hydroxyethanesulfonate | 158804.39 | 170880.72 | 173186.26 | 157950.38 | |
| (2-hydroxyethoxy)sulfonic acid | 827579.48 | 742258.50 | 680249.38 | 759876.31 | |
| 2-Hydroxyhexadecanoic acid | 326820.20 | 319572.01 | 311628.72 | 304086.97 | |
| 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate | 142294.05 | 84847.35 | 112607.88 | 100417.14 | |
| 2-Hydroxymyristic acid | 106288.27 | 111052.01 | 98392.07 | 99650.12 | |
| 2-hydroxynonanoic acid | 245281.66 | 217073.82 | 194399.17 | 179370.51 | |
| 2^-hydroxypyridoxol | 313675.24 | 263250.66 | 268518.00 | 238812.53 | |
| 2-Hydroxystearic acid | 286772.66 | 267502.07 | 267621.14 | 290819.31 | |
| 2-hydroxytridecanoate | 35694079.50 | 22589638.00 | 25791090.67 | 28000192.67 | |
| 2-Hydroxyundecanoate | 883222.19 | 582749.69 | 610973.12 | 661188.81 | |
| 2-Keto-glutaramic acid | 2294497.81 | 2351414.67 | 2366335.42 | 2122038.46 | |
| 2-Methylhexanoic acid | 489417.97 | 374017.38 | 523009.24 | 562951.32 | |
| 2-Octenedioic acid | 2298606.00 | 2362461.00 | 2343761.08 | 2400596.58 | |
| 2-oxobut-3-enanoate | 260059.88 | 167945.21 | 275294.65 | 185280.75 | |
| 2-oxopropane sulfonate | 146435.36 | 123024.96 | 131037.08 | 130367.29 | |
| "(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro... | 184161.45 | 181558.67 | 175470.33 | 181222.63 | |
| "2-trans,6-trans-Farnesal" | 149591.91 | 74683.32 | 115437.39 | 91408.56 | |
| "(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol" | 90652.93 | 73317.30 | 99975.48 | 90300.92 | |
| "3^-(2^^,3^^-Digalloylglucosyl)-phloroacetophenone" | 112651.15 | - | 30986.41 | - | |
| "3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydrox... | 121897.91 | 18153.10 | 60672.28 | 17809.47 | |
| "3,3^-Thiobispropanoic acid" | 418835.23 | 273610.13 | 379469.05 | 265062.13 | |
| "3,4,5-trihydroxy-6-(2-{5-hydroxy-8,8-dimethyl-2-oxo-2H,8H-p... | 149790.54 | 128529.22 | 171109.61 | 138435.34 | |
| "3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-c... | 152910.16 | 223208.85 | 229974.49 | 238880.78 | |
| "3,4,5-trihydroxy-6-{4-[-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-... | 70448.15 | 209597.13 | 94589.71 | 172168.58 | |
| "3,4-Dihydroxybenzylamine" | 6348708.12 | 4745858.17 | 5395563.33 | 4410261.67 | |
| "3,5-Di-O-galloyl-1,4-galactarolactone" | 538277.45 | 90524.12 | 95490.64 | 66107.01 | |
| "{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy... | 108534.69 | 96946.76 | 82813.29 | 73217.26 | |
| "3,7-Dimethyl-8,11-dioxo-dodecatrienal" | 191199.40 | 158192.67 | 191839.57 | 143987.86 | |
| "3,7-Dimethyl-decadien-1,10-dioic acid" | 93629.86 | 142755.17 | 102205.01 | 186590.08 | |
| "3a,7a-Dihydroxycholanoic acid" | 314293.17 | 110768.36 | 215583.91 | 101807.03 | |
| "3a,7b,12a-Trihydroxyoxocholanyl-Glycine" | 5368942.12 | 2716700.75 | 4222415.08 | 2580409.58 | |
| "3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate" | 394796.05 | 123750.97 | 266025.68 | 119001.96 | |
| 3-Amino-2-piperidone | 49009.14 | - | 19830.86 | - | |
| "3-carboxy-2,3-dihydroxypropanoate" | 186094.24 | 167034.46 | 177242.08 | 170549.78 | |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | 129568.73 | 217679.84 | 135635.03 | 246924.70 | |
| 3-carboxy-6-(methylsulfanyl)-2-oxohexanoate | 58136.26 | 116245.92 | 230616.43 | 120797.06 | |
| 3-Dehydro-L-threonate | 6572231.50 | 4518483.33 | 5166343.33 | 4035892.17 | |
| 3-Ethylmalate | 690473.67 | 736240.21 | 704703.65 | 685865.58 | |
| "3-Glucosyl-2,3^,4,4^,6-pentahydroxybenzophenone" | 234692.23 | 310716.94 | 282718.63 | 329190.91 | |
| "3-Hydroxy-2-methylpyridine-4,5-dicarboxylate" | 66105.11 | 161889.61 | 94957.35 | 173255.79 | |
| 3-Hydroxyanthranilic acid | 239620.38 | 201837.95 | 179074.29 | 150078.23 | |
| 3-hydroxypalmitic acid methyl ester | 83724.96 | 83960.46 | 63739.21 | 88270.67 | |
| 3-Isopropenyl-6-oxoheptanoate | 274932.77 | 262871.72 | 289041.85 | 313519.95 | |
| 3-ketothreonate | 2352763.94 | 1616510.12 | 1948197.21 | 1567711.12 | |
| 3-Mercaptolactic acid | 102666.01 | 102909.38 | 117513.22 | 90918.00 | |
| 3-Methylbutyl glucosinolate | 115358.25 | - | 41104.18 | - | |
| 3-Oxododecanoic acid | 139842.40 | 120901.33 | 122410.20 | 116536.46 | |
| 3-Oxotetradecanoic acid | 110738.88 | 108296.93 | 104233.43 | 97760.12 | |
| 3-Phosphoglyceric acid | 43492.68 | 56672.16 | 33798.91 | 61440.98 | |
| 3-Propylmalate | 211249.15 | 216402.01 | 212112.80 | 193311.28 | |
| 3-Succinoylpyridine | 139018.67 | 110259.55 | 137449.14 | 129480.36 | |
| "4,5-Dihydroorotic acid" | 458620.92 | 60002.32 | 117208.75 | 76158.43 | |
| "4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dio... | 118433.35 | 97865.05 | 83979.98 | 81917.32 | |
| 4-Amino-4-deoxychorismate | 1612948.16 | 1451207.75 | 1433677.08 | 1403365.38 | |
| 4-Coumaryl alcohol | 94673.34 | 93589.80 | 96019.97 | 156179.97 | |
| 4-Heptyloxyphenol | 129405.40 | 132001.66 | 138688.28 | 118872.85 | |
| 4-Hydroxybenzoic acid | 217085.78 | 162003.35 | 129980.15 | 202908.20 | |
| 4-Hydroxyhexan-3-one | 1586716.56 | 1550164.71 | 1756070.90 | 2029475.92 | |
| 4-Hydroxyphenylacetaldehyde-oxime | 213467.23 | 138039.06 | 167804.39 | 87683.40 | |
| 4-hydroxy-tridecanoic acid | 990052.05 | 984153.59 | 959727.88 | 1159353.69 | |
| 4-Methoxyglucobrassicin | 110098.05 | 17856.47 | 35517.70 | 23492.85 | |
| 4-methylumbelliferyl-beta-D-cellobioside | 59310.08 | 51269.23 | 58019.90 | 47006.19 | |
| 4-O-beta-D-glucosyl-indol-3-yl formamide | 773236.36 | 366199.70 | 605361.81 | 323254.72 | |
| 4-Octylphenol | 293567.53 | 271119.95 | 271379.04 | 268490.96 | |
| 4^-Phosphopantothenate | 27189576.50 | 7307071.50 | 8868414.00 | 6907458.00 | |
| 4-Pyridoxic acid | 215540.07 | 150331.16 | 165678.08 | 140340.86 | |
| 4-toluenecarboxylate-adenylate | 40874.64 | 50054.31 | 43526.43 | 50668.67 | |
| "5-(2^-Formylethyl)-4,6-dihydroxypicolinate" | 207391.09 | 285743.16 | 372859.94 | 239043.71 | |
| 5-Acetamidovalerate | 413315.48 | 262472.66 | 365974.98 | 210871.14 | |
| 5-Aminolevulinic acid | 757387.89 | 1182001.67 | 991389.25 | 1123401.71 | |
| 5beta-Cyprinolsulfate | 93262.62 | 96360.74 | 96632.62 | 86428.73 | |
| 5-Dehydro-4-deoxy-D-glucarate | 1214917.12 | 950688.90 | 1034170.27 | 1087161.04 | |
| 5^-dehydrouridine | 33919.14 | - | 3759.00 | - | |
| 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid | 318237.62 | 387168.09 | 380840.98 | 478078.94 | |
| "5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-... | 1303725.47 | 1216313.21 | 1236673.10 | 1568146.71 | |
| 5-Methyldeoxycytidine diphosphate | 331767.15 | 259235.81 | 293093.50 | 249336.94 | |
| 5-methyl-tetradecanedioic acid | 50560.12 | 70399.96 | 57015.32 | 58970.04 | |
| "5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone" | 274269.50 | 388544.76 | 342460.24 | 392734.46 | |
| 5-Thymidylic acid | 4866862.00 | 2638714.42 | 4072444.58 | 2615907.25 | |
| (+/-)-6-Acetonyldihydrochelerythrine | 83651.52 | 46404.11 | 64142.86 | 36078.24 | |
| 6-formylpterin | 484376.66 | 842607.52 | 457286.18 | 988127.04 | |
| 6^^-O-Malonylwistin | 86687.42 | - | 50491.76 | - | |
| 6-Phosphogluconic acid | 18177.97 | 20127.41 | 13469.44 | 19612.54 | |
| 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate | - | 558120.44 | 52072.53 | 407052.99 | |
| "8,13-Abietadien-18-oic acid" | 818696.12 | 1040994.10 | 924462.25 | 997355.52 | |
| 8-Amino-7-oxononanoate | 1408678.78 | 689741.64 | 2617598.84 | 544042.44 | |
| "8-chloro-6-O-(6""-O-malonyl)-beta-D-glucoside-2-(2-phenylet... | 229641.11 | 188469.66 | 242109.96 | 154634.26 | |
| 9-Oxo-nonanoic acid | 775962.12 | 905617.96 | 815348.50 | 785345.26 | |
| "a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-gluc... | 214948.98 | 73198.47 | 129378.91 | 66506.97 | |
| Acetoacetic acid | 381684.02 | 447229.42 | 412905.52 | 460267.61 | |
| Acetohydroxamic Acid | 1106395.48 | 533497.68 | 1916100.17 | 1747320.96 | |
| Acetone cyanohydrin | 91980.77 | 96325.00 | 99618.48 | 83580.35 | |
| acetylglutathione | 76874.92 | 92470.76 | 61154.15 | 98137.24 | |
| Acetylphosphate | 199999.28 | 91755.07 | 93911.68 | 93534.65 | |
| Adenosine diphosphate ribose | 434875.20 | 300885.02 | 380382.46 | 295486.68 | |
| Adlupone | 126076.66 | 83922.59 | 123822.16 | 104268.28 | |
| Adrenic acid | 239362.49 | 265001.01 | 244966.92 | 252350.84 | |
| Adrenochrome | 3013615.19 | 3633058.08 | 3250560.25 | 3272614.08 | |
| Ala/Ala/Asp/Tyr | 2033306.41 | 243740.96 | 945274.96 | 234705.62 | |
| Ala/Ala/Cys | 44559.47 | 90363.96 | 68673.90 | 88445.06 | |
| Ala/Arg/Arg/Tyr/Tyr | 221430.99 | 168705.80 | 191351.71 | 141757.62 | |
| Ala/Asn/Pro/Arg/Trp | 516804.45 | 282008.19 | 403453.61 | 332362.01 | |
| Ala/Asp/Asp/Asn/Pro | 157007.72 | 133553.00 | 170807.76 | 140809.23 | |
| Ala/Asp/Asp/Pro | 49319.93 | 35212.84 | 29046.23 | 30253.28 | |
| Ala/Asp/Glu/Lys/Thr | 108096.21 | 153685.85 | 152325.83 | 170069.69 | |
| Ala/Asp/Glu/Lys/Tyr | 109344.59 | - | 44276.80 | - | |
| Ala/Asp/Glu/Met/Gln | 135256.43 | 75791.17 | 118728.52 | 98628.68 | |
| Ala/Asp/Gly | 116694.73 | 34152.39 | 64558.59 | 34054.68 | |
| Ala/Asp/Gly/Tyr | 807262.48 | 484316.33 | 795028.73 | 432371.97 | |
| Ala/Asp/Met/Arg/Thr | 532976.41 | 353042.55 | 480814.03 | 330724.22 | |
| Ala/Asp/Phe/Ile/Arg | 196230.41 | 289312.30 | 286802.01 | 296233.39 | |
| Ala/Asp/Phe/Lys/Lys | 200292.91 | 119644.61 | 180618.39 | 121838.29 | |
| Ala/Asp/Ser/Ser/Thr | 264309.57 | 175378.07 | 252458.58 | 172772.42 | |
| Ala/Cys/Asp/Asn/Trp | 140334.43 | 170048.96 | 169083.22 | 171203.89 | |
| Ala/Cys/Asp/Asp/Tyr | 399961.93 | 318737.75 | 584056.19 | 299673.58 | |
| Ala/Cys/Asp/Glu | 95931.58 | 39411.62 | 73402.12 | 42321.97 | |
| Ala/Cys/Asp/Glu/Pro | 108006.64 | 126853.12 | 115544.94 | 94133.36 | |
| Ala/Cys/Asp/His/Arg | 194429.73 | 39002.34 | 115441.36 | 42138.68 | |
| Ala/Cys/Asp/Lys/Ser | 260372.83 | - | 185131.81 | - | |
| Ala/Cys/Asp/Met/Met | 1069899.09 | 299025.73 | 703682.98 | 301088.34 | |
| Ala/Cys/Asp/Ser/Trp | 55625.35 | 85915.20 | 85872.12 | 84380.35 | |
| Ala/Cys/Cys/Asn/Tyr | 266555.63 | 116000.46 | 179454.77 | 116832.22 | |
| Ala/Cys/Cys/Asp/His | 284394.88 | 37438.09 | 93606.18 | 34766.85 | |
| Ala/Cys/Cys/Met/Met | 176536.16 | 294487.32 | 201657.24 | 250148.48 | |
| Ala/Cys/Gln/Tyr | 124858.55 | 103556.90 | 113673.32 | 103435.57 | |
| Ala/Cys/Glu/Met/Met | 146409.68 | - | 92044.80 | 20933.29 | |
| Ala/Cys/His/Ser/Trp | 83693.55 | 111657.21 | 98150.77 | 182931.48 | |
| Ala/Cys/Thr/Thr/Thr | 93897.92 | 76413.14 | 98487.86 | 70209.87 | |
| Ala/Gln/Tyr/Tyr/Tyr | 167973.30 | 263240.68 | 278185.41 | 273619.41 | |
| Ala/Glu/Ala/Glu | 271491.50 | 72111.98 | 191039.73 | 73874.24 | |
| Ala/Glu/Glu/Gln/Gln | 225022.64 | 333461.46 | 276142.14 | 273928.73 | |
| Ala/Glu/Glu/Tyr | 202782.70 | 64523.22 | 94348.68 | 66494.54 | |
| Ala/Glu/Ile/Thr | 272970.37 | 56159.04 | 151694.27 | 59381.96 | |
| Ala/Glu/Pro | 144233.75 | 77629.49 | 120204.59 | 80489.97 | |
| Ala/Gly | 154852.90 | 22402.73 | 68842.22 | 22855.84 | |
| Ala/Gly/Tyr | 7030530.62 | 2149271.33 | 4711713.50 | 2069337.83 | |
| Ala/Ile/Arg/Thr/Tyr | 158012.55 | - | 62046.65 | - | |
| Ala/Ile/Ile/Gln/Val | 79565.93 | 109173.59 | 101658.76 | 100782.42 | |
| Ala/Ile/Met/Asn/Arg | 92454.15 | 47557.12 | 84214.72 | 36390.89 | |
| Ala/Leu/Asn/Gly | 351732.55 | 11613.58 | 130270.59 | 12209.37 | |
| Ala/Leu/Asp/Gly | 138708.95 | 24786.31 | 88403.18 | 27177.95 | |
| Ala/Leu/Thr/Ser | 820814.48 | 416568.84 | 679953.38 | 409574.51 | |
| Ala/Lys/Asp/Pro | 167204.08 | - | 93897.35 | - | |
| Ala/Lys/Ser/Ser/Trp | 133349.55 | - | 46267.36 | - | |
| Ala/Met/Gln/Ser | 82837.35 | 103495.38 | 90767.92 | 91414.34 | |
| Ala/Met/Met/Met | 262392.58 | 187024.21 | 186654.85 | 204267.52 | |
| Ala/Phe/Met/Pro/Arg | 85014.40 | 111853.28 | 90184.74 | 106226.16 | |
| Ala/Ser | 1185272.56 | 117810.81 | 555328.09 | 118550.28 | |
| Ala/Ser/Ser/Ser/Thr | 100104.56 | 104347.26 | 98964.04 | 101726.16 | |
| Ala/Thr/Thr/Ala | 92983.95 | 68282.53 | 88878.77 | 68409.86 | |
| Ala/Thr/Val/Ser | 180844.44 | 52178.51 | 138495.81 | 50150.14 | |
| Ala/Val/Asp/Asp | 1442476.19 | 510482.47 | 1253806.08 | 589467.12 | |
| Ala/Val/Asp/Ser | 493321.62 | 184929.95 | 373516.47 | 192388.66 | |
| Albomaculine | 645649.42 | 582338.77 | 597212.12 | 530819.74 | |
| aldehydo-octose 8-phosphate | 58080.80 | 54037.08 | 52888.21 | 38887.87 | |
| "alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene" | 333427.05 | 196046.58 | 284473.75 | 163009.90 | |
| alpha-glutamyl-L-hydroxyproline | 229331.63 | 103144.52 | 183480.41 | 106593.30 | |
| alpha-Irone | 2395604.94 | 1340578.33 | 2033675.08 | 1104714.52 | |
| Alpha-Ketooctanoic acid | 636337.59 | 435854.38 | 621975.21 | 494287.67 | |
| Alpha-Linolenic acid | 2106165.62 | 1789328.83 | 1855666.08 | 1673859.08 | |
| Amidosulfonic acid | 623074.58 | 543957.98 | 597642.40 | 554593.12 | |
| ancymidol | 484871.05 | 417293.07 | 443156.51 | 477259.26 | |
| Anisatin | 76381.57 | 96554.76 | 82978.58 | 83932.84 | |
| Apiole | 613991.08 | 631859.75 | 639958.35 | 644404.04 | |
| apo-14^-zeta-carotenal | 239719.40 | 228214.96 | 203714.11 | 223977.59 | |
| a polyisoprenyl-major wall teichoic acid (B. subtilis 168) | 215123.95 | 130544.98 | 178233.68 | 131554.38 | |
| Arabinonate | 366999.98 | 487817.02 | 391886.82 | 440575.11 | |
| Arachidic acid | 1789416.41 | 1721516.00 | 1830962.54 | 1548573.29 | |
| Arachidonic acid | 2159361.31 | 2978615.00 | 2473594.71 | 2746786.42 | |
| Arecoline | 161017.12 | 154573.14 | 172628.10 | 137944.65 | |
| Arg/Asn/Asp/Cys | 207191.37 | 57787.82 | 117446.56 | 48533.93 | |
| Arg/Ile/Ile/Phe | 233548.26 | 297247.19 | 340295.32 | 338466.08 | |
| Arg/Phe/Phe/His | 71688.95 | 67823.78 | 91862.62 | 57848.59 | |
| Ascorbate | 35910.21 | 15071.26 | 9361.13 | - | |
| Asn/Arg/Thr/Thr/Tyr | 240870.41 | 337104.99 | 380593.97 | 385784.54 | |
| Asn/Asp | 99453.32 | 35781.45 | 58696.89 | 37313.59 | |
| Asn/Asp/Cys/Pro | 132095.88 | 106083.47 | 96300.39 | 73180.24 | |
| Asn/Cys/Ser | 1754688.84 | 1512174.96 | 1955280.92 | 1576346.38 | |
| Asn/Gly | 295053.72 | 99287.67 | 217712.12 | 103565.81 | |
| Asn/Ile/Ile/Ser | 430142.41 | 351215.43 | 417165.39 | 335784.58 | |
| Asn/Leu/Asn/Asp | 101656.08 | 69958.57 | 105181.89 | 71997.80 | |
| Asn/Leu/Gln/Ser | 104305.13 | 65804.18 | 102410.80 | 64509.66 | |
| Asn/Leu/Ser/Tyr | 85013.17 | 10223.79 | 48624.26 | - | |
| Asn/Met/Asp/Gln | 151966.60 | 135708.82 | 152203.12 | 154536.21 | |
| Asn/Met/Cys/Gly | 65658.71 | 81558.23 | 80663.84 | 91806.14 | |
| Asn/Met/Pro/Ser | 385725.93 | 248484.56 | 308074.88 | 231646.67 | |
| Asn/Met/Thr/Gln | 129128.38 | 83032.90 | 127905.62 | 84350.92 | |
| Asn/Pro/Pro | 245256.86 | 156470.20 | 207905.25 | 156174.24 | |
| Asn/Ser | 87128.22 | 112890.98 | 115856.54 | 121156.49 | |
| Asn/Val/Ser/Ser | 96984.67 | - | 45489.20 | - | |
| Asp/Arg/Ser/Ser/Tyr | 169960.43 | 150980.39 | 202350.84 | 127853.07 | |
| Aspartate-semialdehyde | 690906.94 | 876757.04 | 792724.48 | 868868.83 | |
| Asp/Asn/Thr/Thr/Thr | 107827.16 | 61449.07 | 79747.88 | 66256.11 | |
| Asp/Asp/Asn/Asn/Asn | 100306.97 | 19655.70 | 53956.40 | 19992.93 | |
| Asp/Asp/Asp/Arg/Thr | 93593.42 | 58083.55 | 77134.64 | 57959.24 | |
| Asp/Asp/Glu/Glu/Pro | 91457.66 | - | 37975.19 | - | |
| Asp/Asp/Gly/His/Trp | 50845.91 | 21911.43 | 27717.99 | 23534.82 | |
| Asp/Asp/Ile/Trp/Tyr | 77172.55 | 82320.86 | 111351.33 | 89243.90 | |
| Asp/Cys/Gly | 175615.50 | 86266.87 | 128600.91 | 95690.28 | |
| Asp/Glu/Arg/Thr/Tyr | 86279.50 | 115301.96 | 107417.01 | 103091.68 | |
| Asp/Glu/Glu/Thr | 3455792.38 | 474490.07 | 1845597.67 | 493470.09 | |
| Asp/Glu/Ile/Gln/Gln | 222296.09 | 17368.95 | 147963.30 | 18050.78 | |
| Asp/Glu/Ile/Lys/Pro | 843274.62 | 256674.03 | 616617.81 | 252543.76 | |
| Asp/Glu/Lys/Lys/Lys | 82114.52 | 95740.07 | 95098.40 | 94603.89 | |
| Asp/Glu/Lys/Thr/Thr | 113104.13 | 99025.36 | 130066.69 | 97474.45 | |
| Asp/Glu/Phe/Phe/Trp | 617908.75 | 1169557.12 | 886951.48 | 1208579.08 | |
| Asp/Gly | 287479.86 | 105037.57 | 193345.14 | 106810.61 | |
| Asp/Gly/Asn/Asn/Trp | 334148.48 | 49096.48 | 128541.60 | 47905.48 | |
| Asp/Gly/Pro | 143894.62 | 130871.92 | 135687.82 | 99916.77 | |
| Asp/Gly/Tyr/Tyr/Tyr | 62770.22 | 92969.22 | 72581.76 | 80308.32 | |
| Asp/His/Met/Pro/Arg | 5770345.62 | 4567694.83 | 5436218.83 | 4256044.25 | |
| Asp/Ile/Arg/Thr/Tyr | 224740.55 | 44870.64 | 212175.81 | 50660.81 | |
| Asp/Ile/Ile/Met/Trp | 507170.27 | 380094.49 | 438531.76 | 428374.36 | |
| Asp/Ile/Ile/Thr/Thr | 343896.05 | 76996.20 | 189620.53 | 86061.51 | |
| Asp/Leu | 562091.52 | 206399.08 | 329868.29 | 190194.49 | |
| Asp/Leu/Ser | 3290202.44 | 194613.26 | 1510175.33 | 190310.86 | |
| Asp/Lys/Met/Gln/Thr | 1737385.44 | 57699.44 | 916245.17 | 63730.79 | |
| Asp/Met/Asp/Gly | 47017.26 | 30870.36 | 35685.91 | 37122.17 | |
| Asp/Met/Phe/Phe | 273578.13 | 376319.08 | 345902.75 | 393151.78 | |
| Asp/Phe/Cys/Gly | 176910.41 | 88639.28 | 118321.03 | 93411.29 | |
| Asp/Phe/Phe/Met/Tyr | 260410.50 | 65923.26 | 237642.83 | 68065.59 | |
| Asp/Pro/Ser | 1781688.66 | 378551.25 | 1033554.31 | 369768.92 | |
| Asp/Pro/Ser/Tyr | 383419.16 | 271129.88 | 349414.49 | 259791.08 | |
| Asp/Ser | 152695.92 | 32581.79 | 81354.90 | 31404.60 | |
| Asp/Thr/Ser/Ser | 807203.09 | 98956.78 | 335560.48 | 116380.56 | |
| Asp/Tyr | 209806.05 | 78861.29 | 158651.66 | 90246.10 | |
| Azelaic acid | 379591.85 | 489582.74 | 486798.14 | 416354.14 | |
| Behenic acid | 73442.13 | 231746.69 | 162061.09 | 223660.22 | |
| Bendiocarb | 126150.20 | 101928.00 | 108586.11 | 80288.85 | |
| Bile salt | 2367117.47 | 715279.73 | 1627433.75 | 646452.73 | |
| Botrydial | 777416.54 | 759164.73 | 843136.35 | 691214.50 | |
| Brassicanal B | 194045.73 | 204223.61 | 210164.35 | 206107.78 | |
| Candimine | 124224.84 | - | 65104.23 | - | |
| Capric acid | 1009774.39 | 673801.60 | 946718.58 | 925088.50 | |
| CDP-Ethanolamine | 5100168.00 | 2610681.50 | 3144567.33 | 2453467.42 | |
| CDP-N-dimethylethanolamine | 134471.73 | 69460.86 | 63672.83 | 63874.75 | |
| Cer(d33:1) | 209408.22 | 204295.43 | 181569.67 | 211844.29 | |
| Cer(d34:2) | 360486.21 | 352835.82 | 334277.71 | 323162.17 | |
| Cer(d36:1) | 171505.71 | 168431.62 | 164377.01 | 153510.70 | |
| Cer(d38:2) | 97698.51 | 123699.98 | 97577.38 | 129636.10 | |
| Cer(d40:1) | 318536.31 | 173462.84 | 207624.85 | 152503.14 | |
| Cer(d40:2) | 506096.65 | 391578.09 | 194951.72 | 300848.44 | |
| Cer(d41:2) | 293204.91 | 318859.50 | 266510.88 | 289799.73 | |
| Chaetoglobosin A | 75006.30 | 98491.76 | 194465.08 | 91495.91 | |
| Chelirubine | 540768.80 | 486567.68 | 369201.53 | 550884.83 | |
| Chenodeoxyglycocholate | 713643.00 | 329293.05 | 567040.42 | 314075.22 | |
| Chlorate | 671144.59 | 971745.00 | 682678.96 | 1051196.02 | |
| Chlorotrianisene | 115203.94 | 30338.50 | 60645.58 | 24832.31 | |
| Cholic acid | 12745068.25 | 2665773.00 | 7324474.17 | 2595228.67 | |
| Cidofovir | 127678.88 | 89562.73 | 90136.33 | 74513.34 | |
| cis-Aconitic acid | 296058.24 | 167684.90 | 187308.64 | 161824.32 | |
| cis-(homo)3aconitate | 251552.79 | 291239.82 | 269090.50 | 273536.85 | |
| Citric acid | 1145202.81 | 901913.35 | 77125.86 | 1069769.02 | |
| Cladinose | 224359.78 | 244721.95 | 306821.58 | 237931.32 | |
| Clavulanate | 523841.17 | 248329.04 | 353091.76 | 174787.80 | |
| coptisine | 3943662.31 | 2621156.83 | 3396120.08 | 2491415.92 | |
| Cyclic ADP-ribose | 20703289.00 | 14507490.00 | 17768806.67 | 14521049.00 | |
| cyclopentanehexanoic acid | 99058.60 | 99322.28 | 84680.09 | 106605.99 | |
| "cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-ano... | 200770.30 | 93490.55 | 129051.82 | 92432.38 | |
| Cys/Asn/Gln/Arg/Arg | 597056.23 | 582919.79 | 553332.35 | 507238.56 | |
| Cys/Asp/Asp/Gly/Pro | 78976.12 | 96463.48 | 98997.29 | 121979.28 | |
| Cys/Asp/Asp/Ser/Thr | 242466.44 | 154157.93 | 226847.99 | 122723.29 | |
| Cys/Asp/Gly/Pro/Ser | 85941.71 | 33008.51 | 66353.02 | 36878.98 | |
| Cys/Asp/Phe/His/Arg | 379279.16 | 67393.04 | 216452.51 | 66297.11 | |
| Cys/Cys/Asp/Met/Pro | 120619.91 | 73913.85 | 84483.68 | 70284.44 | |
| Cys/Cys/Asp/Met/Thr | 262637.63 | 290230.30 | 349606.04 | 307530.97 | |
| Cys/Cys/Cys/Gly/Ser | 346755.03 | 148541.87 | 92173.38 | 106858.92 | |
| Cys/Cys/Cys/His/Thr | 194461.75 | 170500.72 | 295592.33 | 173696.58 | |
| Cys/Cys/Cys/Leu/Trp | - | 138055.57 | 36803.14 | 127841.97 | |
| Cys/Cys/Gly/His/Arg | 120546.09 | 98163.88 | 119334.30 | 101288.94 | |
| Cys/Cys/His/Asn/Gln | 49686.01 | 35456.10 | 43138.64 | 21075.84 | |
| Cys/Cys/His/Gln/Gln | 303496.14 | 416148.04 | 329734.64 | 355135.82 | |
| Cys/Cys/Leu/Met/Trp | - | 453801.65 | 80769.71 | 392868.58 | |
| Cys/Cys/Met/Met/Met | 174692.78 | 53170.16 | 81093.41 | 48650.89 | |
| Cys/Gln/Gln/Arg/Arg | 789361.30 | 32141.14 | 352777.01 | 25414.63 | |
| Cys/Gly | 154045.16 | 80725.91 | 141823.53 | 74688.10 | |
| Cys/Gly/Lys/Ser/Tyr | 273123.78 | - | 121597.60 | - | |
| Cys/Gly/Trp/Trp/Trp | 480925.84 | 525650.95 | 514072.28 | 566600.10 | |
| Cys/His/Asn/Ser/Ser | 77763.99 | 100450.12 | 70169.93 | 102213.19 | |
| Cys/His/Pro/Arg/Thr | 170127.06 | - | 115867.94 | - | |
| Cys/Ile/Arg/Trp/Trp | 273647.38 | 214576.99 | 225105.27 | 200390.93 | |
| Cys/Ile/Ile/Lys/Trp | 64798.60 | 108585.61 | 86407.74 | 105956.13 | |
| Cys/Ile/Ile/Met/Met | 110475.99 | 85945.65 | 102819.30 | 86147.62 | |
| Cys/Met/Gln/Pro | 198337.39 | 392796.57 | 233089.86 | 387156.22 | |
| Cys/Met/Gly/Pro | 12343.22 | 9704.91 | 12932.68 | 12258.30 | |
| Cys/Met/Met/Phe | 87891.84 | 89136.60 | 73617.79 | 112989.14 | |
| Cys/Phe/Gly/Asn/Trp | 64168.58 | 94731.96 | 81554.01 | 94671.55 | |
| Cys/Ser/His | 138943.45 | 67202.27 | 161367.37 | 74756.21 | |
| cysteine-adenylate | 80829.51 | - | 55198.69 | - | |
| cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate} | 255406.88 | 298906.95 | 288687.28 | 291476.11 | |
| demethyl-phosphinothricin | 214903.17 | 129507.30 | 222681.67 | 175411.76 | |
| deoxypumiloside | 746178.94 | 186029.51 | 407926.72 | 191053.78 | |
| Deoxyribose | 95590.46 | 122095.90 | 99486.34 | 119323.27 | |
| Deoxyribose 5-phosphate | 314744.55 | 269351.29 | 157956.01 | 232855.79 | |
| DG(11D3/11M3/0:0) | 541609.25 | 466481.91 | 514587.32 | 586325.96 | |
| DG(11D3/11M5/0:0) | 160134.73 | 196553.23 | 142044.80 | 159801.49 | |
| DG(11M3/9D3/0:0) | 274594.43 | 170338.62 | 224810.16 | 185470.94 | |
| Dictyoquinazol C | 119771.24 | 102585.18 | 120841.67 | 100622.39 | |
| Diethyl adipate | 236963.94 | 203642.01 | 191389.09 | 226945.32 | |
| Diethyl oxalpropionate | 442157.98 | 386958.96 | 490086.76 | 424192.52 | |
| Diethyl tartrate | 67805.95 | 69781.63 | 68439.37 | 81050.28 | |
| Dihydroclavaminic acid | 150107.42 | 51414.61 | 131188.04 | 48643.47 | |
| Dihydroxyacetone phosphate | 26002.58 | 130561.31 | 23116.37 | 157681.94 | |
| Diketogulonic acid | 545979.62 | 431997.20 | 351879.06 | 504107.36 | |
| Dimethyl adipate | 396689.82 | 312046.92 | 489365.68 | 332752.71 | |
| Docosahexaenoic acid | 351485.34 | 536168.64 | 407290.45 | 459863.69 | |
| Docosapentaenoic acid (22n-3) | 1271668.97 | 1686505.17 | 1501401.00 | 1543762.54 | |
| Dodecanedioic acid | 153279.05 | 138601.72 | 149792.54 | 118900.16 | |
| Dodecanoic acid | 2931062.19 | 2446653.83 | 2594417.67 | 2741574.25 | |
| Dopamine | 4544845.94 | 2766024.17 | 3688983.75 | 2456508.58 | |
| Dopaquinone | 306022.48 | 199745.61 | 270855.53 | 235862.97 | |
| Drotaverine | 103286.95 | 123531.38 | 122120.72 | 125747.69 | |
| dTDP | 519316.12 | 546093.14 | 939891.35 | 568237.58 | |
| Eicosenoic acid | 276521.89 | 392393.74 | 368461.76 | 376525.06 | |
| Epinephrine sulfate | 126094.79 | 99396.88 | 127485.53 | 78354.29 | |
| erucamide | 216261.51 | 218378.93 | 207526.38 | 203708.64 | |
| erythro-L-galacto-Nonulose | 98268.64 | 99801.66 | 77657.43 | 83257.97 | |
| Erythronic acid | 3942267.75 | 1817345.83 | 3109769.50 | 1547628.08 | |
| ethyl-(2R)-methyl-(3S)-hydroxybutanoate | 88270.98 | 87023.16 | 86402.22 | 112322.38 | |
| Ethyl 3-oxohexanoate | 337486.59 | 297825.21 | 330484.90 | 297310.31 | |
| Ethyladipic acid | 321017.76 | 371116.18 | 310179.85 | 418150.80 | |
| Ethylene brassylate | 43799.08 | 44675.37 | 48955.62 | 52354.59 | |
| Euchrenone b3 | 114737.25 | 127395.01 | 117765.26 | 103723.43 | |
| FA (19:1) | 347198.25 | 361838.36 | 400486.69 | 368271.28 | |
| FA (23:1) | 90690.48 | 175817.46 | 140833.64 | 153190.86 | |
| FA dioxo(10:0) | 218341.51 | 261218.39 | 221945.94 | 282890.77 | |
| FA methyl(16:1) | 928050.94 | 732732.81 | 741950.50 | 692563.10 | |
| FA methyl(8:0) | 4416666.19 | 3031933.67 | 4118388.67 | 4473358.42 | |
| FA oxo(7:0) | 745772.42 | 495304.51 | 795329.35 | 582119.34 | |
| ferric dicitrate | 106105.42 | 85107.30 | 84904.00 | 69022.65 | |
| Ferruginol | 287228.08 | 388138.57 | 320448.96 | 419967.47 | |
| Flavaprin | 82066.62 | 111267.52 | 95559.93 | 107514.73 | |
| Flucythrinate | 192117.25 | 137121.37 | 164455.84 | 128237.65 | |
| Fluocinolone | 74681.94 | 81608.24 | 87328.78 | 89237.27 | |
| Formylglutathione | 143479.27 | 138720.40 | 105520.38 | 139557.60 | |
| formyl-isoglutamine | 150386.23 | 33469.23 | 83232.38 | 35804.07 | |
| Formylpyruvate | 765213.30 | 376345.55 | 482148.08 | 359757.63 | |
| Fructose | 5671971.38 | 6291566.50 | 5681361.00 | 5695699.00 | |
| Fructose 6-phosphate | 1041012.59 | 1001521.92 | 768582.54 | 905891.31 | |
| Fucose 1-phosphate | 240905.68 | 36932.13 | 117421.70 | 48848.78 | |
| Fumaric acid | 366950.16 | 205295.46 | 289703.94 | 187675.74 | |
| Fumarycarnitine | 187214.46 | 229316.83 | 213686.07 | 266482.73 | |
| Galactinoldihydrate | 100332.30 | 136501.19 | 106545.99 | 128486.75 | |
| Galacto-2-heptulose | 114534.79 | 114908.55 | 123786.04 | 129071.96 | |
| Galactonic acid | 66687426.00 | 55019116.00 | 58760942.67 | 55022186.67 | |
| Galactose | 2278933.19 | 2910463.83 | 2632711.67 | 3014758.83 | |
| gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide | 345082.21 | 97891.67 | 251590.38 | 109024.10 | |
| "GDP-3,6-dideoxy-D-galactose" | 2298726.22 | 1510814.54 | 1913769.71 | 1409015.75 | |
| Genipin | 363564.55 | 214496.80 | 366007.94 | 257007.99 | |
| Gentisyl alcohol | 150100.36 | 134240.17 | 135687.38 | 127013.63 | |
| Gln/Val/Pro/Pro | 199164.75 | 124031.76 | 152702.58 | 112131.17 | |
| Glu/Ala/Gly | 171412.27 | 96260.85 | 101359.22 | 85509.29 | |
| Glu/Ala/Ile | 125930.88 | - | 45497.20 | - | |
| Glu/Ala/Ser | 3871328.38 | 1020544.31 | 2202278.83 | 1159459.54 | |
| Glu/Asp/Phe | 89380.63 | 45509.87 | 59196.11 | 52795.00 | |
| Glu/Asp/Pro | 149288.01 | 45848.59 | 90253.46 | 40284.90 | |
| Glucosamine 6-phosphate | 168133.54 | 322737.34 | 211426.45 | 310587.08 | |
| glucosylglycerate | 273587.49 | 281277.98 | 264902.86 | 312674.21 | |
| Glucuronic acid | 151615.89 | 210557.31 | 129385.21 | 212061.39 | |
| Glu/Glu/Glu/Phe/Pro | 183560.47 | 177107.95 | 212436.17 | 165693.01 | |
| Glu/Gly/Val | 122318.09 | 67859.93 | 86599.53 | 69987.24 | |
| Glu/Leu | 1707079.06 | 250738.66 | 872400.27 | 289768.62 | |
| Glu/Lys/Met/Met/Pro | 106399.55 | - | 55847.43 | 21773.26 | |
| Glu/Met/Ser | 128646.48 | 373859.49 | 172983.76 | 363012.89 | |
| Glu/Phe/Asp/Asp | 21153.11 | 27910.56 | 21766.36 | 22917.18 | |
| Glutamate methylester | 600590.00 | 581040.08 | 664554.21 | 519920.07 | |
| Glutamic acid | 89210356.00 | 128030744.00 | 98607669.33 | 131389421.33 | |
| Glutamic gamma-semialdehyde | 299734.71 | 118554.38 | 239447.89 | 115913.77 | |
| glutathione sulfinate | 919691.64 | 801413.52 | 886351.69 | 750382.62 | |
| Glu/Thr | 10819694.25 | 2699394.92 | 5604155.67 | 2725028.00 | |
| Glu/Thr/Val/Gly | 108285.18 | 63873.09 | 86811.76 | 54173.39 | |
| Glu/Val/Val | 350718.44 | 164730.56 | 256537.58 | 162669.29 | |
| Glyceraldehyde 3-phosphate | 39234.09 | 16095.44 | 3759.00 | - | |
| Glyceric acid | 335577.04 | 255005.59 | 233248.56 | 254433.08 | |
| "Glyceric acid 1,3-biphosphate" | 99155.21 | 51525.31 | 61140.81 | 57738.62 | |
| "Glycerol 1,3-didodecanoate 2-decanoate" | 525929.28 | 348103.00 | 380748.54 | 360229.30 | |
| Glycerol 3-phosphate | 7707457.75 | 19657634.00 | 8881523.33 | 18758198.67 | |
| glycero-L-galacto-Octulose | 472798.54 | 590459.06 | 579628.83 | 570645.79 | |
| Glycerol tributanoate | 168001.95 | 119936.97 | 151656.10 | 130278.88 | |
| Glycerol tripropanoate | 50951.98 | 63983.88 | 58004.71 | 72706.10 | |
| Glycerophosphoglycerol | 14968168.75 | 11235755.33 | 11324795.67 | 10956719.00 | |
| Glycine | 2005390.06 | 1963589.33 | 1916100.17 | 1747320.96 | |
| glycyl-L-hydroxyproline | 1391371.00 | 132056.28 | 685156.50 | 129100.19 | |
| Gly/Ser | 168833.18 | 39329.69 | 100794.85 | 44790.27 | |
| Gly/Ser/Tyr | 5149704.75 | 2957806.75 | 4229801.92 | 2812394.50 | |
| "Gossypetin 7,4^-dimethyl ether 8-acetate" | 73907.25 | 107408.27 | 92217.15 | 111887.43 | |
| Guanosine diphosphate mannose | 117513.21 | 94612.45 | 92823.58 | 86363.93 | |
| "Gulono-1,4-lactone" | 4069861.06 | 4379309.83 | 4161936.58 | 4346966.67 | |
| Heptadecanoic acid | 1514815.72 | 2619200.75 | 2122330.29 | 2839735.33 | |
| heptaprenylphospho-beta-D-mannose | 326866.85 | 233831.80 | 288004.38 | 182293.77 | |
| Hericenone C | 97188.79 | 62262.75 | 80379.57 | 56880.68 | |
| hexafluorophosphate | 97065.23 | 84902.73 | 99620.50 | 98283.71 | |
| His/Arg/Arg/Val/Trp | 234166.54 | 237602.79 | 225304.45 | 233421.47 | |
| Hydantoin-5-propionic acid | 138752.97 | 34782.77 | 81934.36 | 35656.28 | |
| Hydrogen phosphate | 24410577.50 | 24387398.67 | 25952064.00 | 25900891.33 | |
| hydroxy-3-(tetradecenoyloxy)-propanoic acid | 78668.29 | 85100.88 | 85977.02 | 89088.80 | |
| hydroxylauric acid | 196442.66 | 146449.02 | 163658.99 | 164331.66 | |
| Hydroxymethylphosphonate | 2726291.25 | 1547523.75 | 1966744.67 | 1668771.38 | |
| Hydroxypropionic acid | 2632189.88 | 2374478.08 | 2515066.92 | 2151133.71 | |
| Hydroxypyruvic acid | 181859.15 | 266518.56 | 114772.10 | 317927.86 | |
| Hymenoflorin | 31757.03 | 61803.94 | 41469.03 | 72240.24 | |
| Hymenoxon | 59004.01 | 144505.64 | 73238.03 | 145265.40 | |
| Hymexazol O-glucoside | 108295.33 | 48268.00 | 64917.60 | 45596.61 | |
| Ile/Ala/Ser | 372954.46 | 80505.85 | 222374.34 | 83949.72 | |
| Ile/Asp/Gly | 186624.40 | 40172.83 | 110160.54 | 45749.17 | |
| Ile/Lys/Lys/Ser/Val | 128333.85 | 120940.61 | 138435.52 | 137024.89 | |
| Ile/Met/Met | 171782.43 | 85671.12 | 137824.05 | 84795.99 | |
| Ile/Ser/Thr | 167142.24 | 120974.62 | 150442.18 | 125989.45 | |
| Ile/Trp | 277158.62 | - | 131967.15 | - | |
| Ile/Tyr | 156724.68 | 125016.09 | 168103.57 | 121441.34 | |
| Imidazoleacetic acid ribotide | 469951.61 | 79118.90 | 259658.56 | 85886.65 | |
| Iminodiacetic acid | 31853974.00 | 21472465.33 | 29380638.00 | 17823388.67 | |
| Indoleacrylic acid | 163246.22 | 147559.13 | 162639.36 | 151300.56 | |
| Inosine | 472400.83 | 438375.94 | 506891.06 | 519127.62 | |
| Inosinic acid | 5974690.88 | 6419909.50 | 3810741.83 | 6134770.67 | |
| Inositol cyclic phosphate | 198770.96 | 147668.76 | 167810.18 | 159545.85 | |
| iodovulone I | 95797.28 | 69675.97 | 100980.58 | 61976.23 | |
| Ketoleucine | 949983.41 | 816444.21 | 1273727.23 | 864492.75 | |
| kifunensine | 20496308.00 | 13649403.33 | 18197072.00 | 13640472.33 | |
| LacCer(d32:1) | 1985228.69 | 1930408.67 | 1801663.21 | 2055804.25 | |
| Lactic acid | 74208758.00 | 45501377.33 | 64489454.67 | 41228876.00 | |
| Lactosylceramide (d18:1/12:0) | 5778296.38 | 5055382.33 | 6447966.00 | 4776193.17 | |
| lesquerolate | 61513.60 | 43852.01 | 69827.56 | 49126.61 | |
| Leu/Ala/Ala | 3440104.62 | - | 1392337.12 | 129815.11 | |
| Leucodopachrome | 36919.02 | 101235.25 | 36781.92 | 118440.90 | |
| Linoleic acid | 7123772.25 | 5093837.42 | 6951125.67 | 6888966.00 | |
| Longifolonine | 2176011.62 | 1871725.79 | 2006897.00 | 1373952.71 | |
| Lynestrenol | 248647.80 | 286397.82 | 271507.53 | 304977.65 | |
| Lys/Arg/Arg/Arg/Arg | 10137680.75 | 4159858.67 | 6166847.67 | 4547927.17 | |
| Lys/Gly | 886366.06 | 108979.18 | 361767.96 | - | |
| LysoPA(16:0) | 143845.70 | 42298.88 | 39647.11 | 43957.59 | |
| LysoPA(18:1) | 167829.56 | 94735.36 | 91254.34 | 94369.11 | |
| LysoPC(20:3) | - | 115169.48 | 54297.82 | 132194.27 | |
| LysoPE(18:2) | 182840.42 | 194178.22 | 179207.50 | 178623.50 | |
| LysoPE(18:3) | 119683.21 | 108247.46 | 119069.13 | 100238.83 | |
| LysoPE(20:4) | 174766.14 | 289252.60 | 176021.87 | 327348.82 | |
| LysoPG(16:0) | 1740119.50 | 1455685.46 | 1750822.79 | 1365707.12 | |
| LysoPG(18:1) | 340787.02 | 340226.76 | 375772.91 | 311716.72 | |
| LysoPG(18:2) | 312899.69 | 256116.06 | 322344.27 | 250926.58 | |
| LysoPI(17:0) | 114096.93 | 77418.37 | 88695.92 | 69655.14 | |
| LysoPI(20:3) | 83271.43 | 155823.39 | 117347.45 | 139475.54 | |
| LysoPS(16:0) | 55446.36 | 115291.98 | 114710.64 | 116365.23 | |
| LysoPS(20:4) | 111192.61 | 507004.80 | 318672.64 | 507458.24 | |
| LysoPS(20:5) | 52857.26 | 198018.13 | 122631.54 | 179595.97 | |
| Maleic acid homopolymer | 475462.48 | 358655.89 | 569228.18 | 587399.70 | |
| Malic acid | 2898984.19 | 1459773.08 | 1631015.92 | 1282142.17 | |
| Malonic semialdehyde | 1882805.12 | 1966884.08 | 1868210.75 | 1884070.79 | |
| malyl alpha-D-glucosaminide | - | 1202582.38 | 108516.11 | 979223.73 | |
| mandeloylglutathione | 174784.06 | 228675.26 | 163939.82 | 193895.43 | |
| Mannitol | 5810144.38 | 7952234.83 | 6672808.33 | 7987818.33 | |
| Mannitol 1-phosphate | 2600768.50 | 2054629.42 | 1750745.42 | 1876082.96 | |
| Melatonin glucuronide | 76478.01 | 87428.13 | 72341.50 | 81368.57 | |
| Metazocine | 155362.14 | 149250.61 | 141997.41 | 134027.99 | |
| methyl-5^-thioinosine | 361835.38 | 132113.05 | 301290.64 | 143526.83 | |
| Methyl jasmonate | 133589.02 | 161039.85 | 139330.28 | 162020.25 | |
| Methylmalonic acid | 11299977.75 | 7433202.67 | 8213394.17 | 7399655.50 | |
| Met/Val | 249662.28 | - | 73786.98 | - | |
| MG(14:1) | 49223.84 | 49406.08 | 42672.14 | 50089.20 | |
| Miraxanthin-III | 78878.18 | 73692.77 | 96446.06 | 63473.67 | |
| monic acid | 183898.88 | 194630.31 | 184351.42 | 167863.64 | |
| monolinuron | 82762.51 | 59443.03 | 86810.05 | 78104.42 | |
| Monomethyl sulfate | 593642.88 | 382066.32 | 439752.10 | 400528.19 | |
| Muricatenol | 187031.53 | 103967.13 | 119282.50 | 116043.12 | |
| mycosporine glycine | 139386.07 | 99496.50 | 111745.74 | 94129.43 | |
| Myristic acid | 2185113.81 | 2462406.25 | 2096977.25 | 2148716.29 | |
| N-23-dihydroxybenzoyl-L-serine | 14949.75 | 19226.12 | 11439.11 | 12211.64 | |
| N2-Succinyl-L-glutamic acid 5-semialdehyde | 20956.59 | 76864.34 | 21384.59 | 101973.39 | |
| "N3-fumaramoyl-L-2,3-diaminopropanoate" | 41039.45 | 34421.62 | 35217.02 | 43053.01 | |
| N3-hydroxyethylcytosine | 1348830.75 | 815573.15 | 1158809.25 | 793569.85 | |
| N4-acetyl-N4-hydroxy-1-aminopropane | 1199184.53 | 668906.71 | 891004.62 | 696238.90 | |
| N-(4-oxoglutaryl)-L-cysteinylglycine | 12129091.75 | 4475264.92 | 7036656.67 | 4521621.83 | |
| N-Acetylanthranilate | 510021.56 | 439655.48 | 483015.30 | 412629.56 | |
| N-Acetylasparagine | 130643.29 | 79857.66 | 83994.25 | 83783.74 | |
| N-Acetylaspartylglutamic acid | 141069.03 | 97836.26 | 99544.78 | 91725.81 | |
| N-acetyldemethylphosphinothricyl-L-alanyl-L-leucine | 153932.51 | 269028.68 | 201272.16 | 265940.80 | |
| N-Acetyl-D-glucosaminate | 469804.60 | 510307.72 | 453084.30 | 506055.70 | |
| N-Acetyl-D-Glucosamine 6-Phosphate | 173574.95 | 144741.16 | 136064.25 | 149441.15 | |
| N-Acetylglutamic acid | 8077346.12 | 9187118.00 | 7714879.67 | 9297273.33 | |
| N-Acetyl-L-aspartic acid | 1339963.53 | 821283.79 | 1018651.46 | 782529.19 | |
| N-Acetyl-L-methionine | 13679602.75 | 9852039.00 | 15557509.67 | 7884575.33 | |
| N-Acetyl-S-(N-methylcarbamoyl)cysteine | 237447.54 | 241233.83 | 232321.16 | 243791.96 | |
| NAD stem group | 101485.12 | 37704.79 | 62751.03 | 45413.39 | |
| Narceine | 98796.30 | 17854.87 | 52751.52 | 14202.21 | |
| N-Benzyloxycarbonylglycine | 5948409.75 | 5445159.83 | 5599439.50 | 4955858.33 | |
| N-(butyryl)-L-homoserine | 559870.41 | 224228.46 | 514682.78 | 199900.44 | |
| N-Decanoylglycine | 147844.49 | 92757.38 | 172773.97 | 80210.33 | |
| Neodulin | 161098.47 | 114902.34 | 119139.05 | 109711.47 | |
| Nervonic acid | 67636.77 | 131842.62 | 84760.19 | 137966.64 | |
| N-Formimino-L-glutamate | 196600.72 | 73484.43 | 168533.51 | 84002.10 | |
| N-Gluconyl ethanolamine phosphate | 495191.93 | 1204167.85 | 462648.21 | 1029931.27 | |
| nhatrangin B | 91959.54 | 15575.09 | 14703.05 | - | |
| N-Hydroxy-L-tyrosine | 66391.02 | 120185.08 | 71630.66 | 128979.01 | |
| nicotinamide guanine dinucleotide | 166326.68 | 67420.58 | 94126.29 | 69993.13 | |
| nicotinic acid N-oxide | 223169.36 | 212796.51 | 213548.83 | 207150.89 | |
| Nitroethane | 621795.73 | 505744.40 | 674068.12 | 504200.03 | |
| N-Lignoceroylsphingosine | 198928.19 | 143073.97 | 136736.03 | 113363.87 | |
| N-methylmaleimide | 161991.78 | 137792.31 | 157975.89 | 120593.45 | |
| "N,N-Dihydroxy-L-tyrosine" | 319125.18 | 212978.56 | 295290.57 | 204560.65 | |
| "N,N-Dimethylsphingosine" | 149674.65 | 319672.16 | 272540.07 | 309693.24 | |
| N-Nitrosoproline | 119404.90 | 79959.97 | 106834.00 | 78678.67 | |
| N-Nonanoylglycine | 696496.78 | 462864.11 | 904618.76 | 234124.01 | |
| nocardicin E | 83397.80 | 203851.71 | 96568.03 | 165707.28 | |
| nocardicin G | 448115.71 | 522184.04 | 477572.52 | 529759.10 | |
| N-Oleoylethanolamine | 86690.67 | 166134.71 | 148023.31 | 157696.27 | |
| Nonate | 478108.13 | 349649.89 | 641669.39 | 487502.14 | |
| Norepinephrine sulfate | 1130382.27 | 4100413.83 | 1843781.71 | 3500866.67 | |
| N-Palmitoylsphingosine | 972761.47 | 898898.23 | 714644.39 | 942761.81 | |
| N-Succinyl-L-glutamate | 43208204.00 | 24694080.67 | 34475630.00 | 22764541.33 | |
| O-Acetylserine | 12479197.75 | 10108623.00 | 13286709.00 | 8648059.33 | |
| Oleoyl-CoA | 400738.98 | 214505.12 | 323325.09 | 159742.01 | |
| Orotic acid | 665503.52 | 194256.24 | 459129.18 | 189350.23 | |
| Orotidine | 3776668.56 | 3035984.67 | 3367201.17 | 3044263.08 | |
| Oxamate | 380241.93 | 484890.19 | 403210.96 | 498492.70 | |
| Oxoglutaric acid | 9517116.38 | 2920595.33 | 2815149.00 | 2541753.50 | |
| PA(32:1) | 439063.47 | 185512.92 | 192617.24 | 158822.91 | |
| PA(33:1) | 259857.75 | 99311.66 | 109812.00 | 90283.34 | |
| PA(34:1) | 276352.70 | 164172.22 | 219442.99 | 134786.39 | |
| PA(38:6) | 199769.16 | 114730.52 | 107130.14 | 95192.22 | |
| Palmitoleic acid | 2299081.88 | 1477649.83 | 1645490.38 | 1349739.88 | |
| Palmitoylethanolamide | 95503.54 | 172367.89 | 136750.66 | 170433.67 | |
| p-aminobenzoyl glutamate | 2984967.75 | 3191530.50 | 2517814.58 | 3113382.25 | |
| Pantetheine 4^-phosphate | 128789.57 | 118557.73 | 213514.92 | 112012.01 | |
| PC(31:1) | 3749641.19 | 3735770.67 | 3388936.67 | 3072936.92 | |
| PC(31:3) | 690616.31 | 638730.04 | 812991.44 | 626629.88 | |
| PC(33:2) | 1165229.84 | 1052764.44 | 1038084.25 | 1147770.81 | |
| "PC(DiMe(11,3)/MonoMe(11,3))" | 374851.12 | 249599.90 | 234699.06 | 175186.46 | |
| P-DPD | 2457101.31 | 1217247.75 | 1244192.33 | 1288331.42 | |
| PE(30:4) | 364824.20 | 331864.21 | 316938.00 | 257074.77 | |
| PE(34:3) | 263871.88 | 211799.10 | 221214.67 | 224058.47 | |
| PE(36:5) | 393385.15 | 404985.92 | 380154.98 | 414529.84 | |
| PE(38:3) | 535860.06 | 413101.74 | 521987.71 | 487475.58 | |
| PE(P-36:3) | 157943.34 | 182940.70 | 173882.61 | 232508.63 | |
| PE(P-36:4) | 162962.54 | 171725.88 | 169615.77 | 169983.49 | |
| PE(P-38:5) | 266801.13 | 204867.27 | 219638.50 | 185610.99 | |
| peroxysulfate | 102438.63 | 121495.40 | 143706.88 | 115478.52 | |
| PG(17:0) | 225470.88 | 149241.11 | 220747.33 | 138732.05 | |
| PG(33:1) | 1561203.09 | 553899.12 | 983048.02 | 579528.04 | |
| PG(33:2) | 295210.80 | 141795.48 | 190654.04 | 189794.41 | |
| PG(34:2) | 4385322.75 | 1215721.46 | 2536551.12 | 1297308.83 | |
| PG(34:3) | 857629.16 | 457341.81 | 652953.19 | 378610.64 | |
| PG(35:1) | 2349430.59 | 588617.16 | 985962.08 | 721384.98 | |
| PG(35:2) | 2017708.94 | 690254.54 | 1109208.12 | 754447.83 | |
| PG(35:3) | 794475.34 | 303373.76 | 451502.80 | 319314.25 | |
| PG(37:5) | 312645.77 | 156510.81 | 200748.58 | 162417.29 | |
| PG(40:10) | 474475.21 | 752601.31 | 445895.03 | 511966.83 | |
| Phe/Asp | 617954.27 | 113516.99 | 309947.77 | 112801.47 | |
| Phe/His/His/His/Pro | 124741.89 | 229576.42 | 212612.21 | 239568.27 | |
| Phe/Lys/Met/Arg/Arg | 138566.09 | 170267.48 | 142314.53 | 151606.29 | |
| Phenethylamine glucuronide | 131016.26 | 211305.14 | 127245.25 | 221400.05 | |
| Phenolsulfonphthalein | 173199040.00 | 93217706.67 | 136694333.33 | 88661144.00 | |
| Phe/Pro/Pro/Thr/Trp | 108232.03 | 214785.38 | 188760.53 | 208848.29 | |
| PHHdiA-PE | 94750.86 | 172503.61 | 57521.32 | 177473.01 | |
| PHODiA-PE | 98807.03 | 255099.59 | 93528.58 | 327549.33 | |
| Phosphodimethylethanolamine | 8156829.25 | 7698360.50 | 10704728.33 | 8232624.83 | |
| Phosphoenolpyruvic acid | - | 54408.27 | 28617.34 | 51989.00 | |
| Phosphoserine | 70952.46 | 33877.84 | 43724.94 | 33780.10 | |
| Phyllospadine | 490242.82 | 612004.29 | 519223.19 | 594494.98 | |
| PI(16:1) | 103401.18 | 80937.92 | 117481.73 | 69817.14 | |
| PI(18:2) | 276008.37 | 472238.11 | 432050.05 | 456528.05 | |
| PI(18:3) | 137030.41 | 135257.00 | 184784.72 | 139794.79 | |
| PI(20:5) | 116288.97 | 126484.59 | 145109.28 | 126473.77 | |
| PI(34:1) | 245599.20 | 253515.61 | 227401.46 | 221732.08 | |
| PI(36:2) | 755458.47 | 849203.35 | 577128.17 | 776096.92 | |
| PI(38:4) | 198852.56 | 323439.03 | 208670.81 | 253485.85 | |
| P-IsoPGF2-PC | 252458.41 | 169224.90 | 202658.98 | 172190.41 | |
| Plaunol D | 341175.34 | 445994.55 | 424087.15 | 528939.57 | |
| "Polyethylene, oxidized" | 101501.57 | 96631.21 | 72817.54 | 120641.56 | |
| Ponatinib | 112972.81 | 33021.75 | 57216.87 | 44631.88 | |
| potassium dihydrogen phosphate | 96954.43 | 114262.15 | 110158.53 | 70272.46 | |
| Proacacipetalin | 367031.42 | 441635.96 | 432162.39 | 419958.01 | |
| PS(18:3) | 70809.06 | 209160.48 | 167920.59 | 204311.92 | |
| PS(36:2) | 1808743.97 | 1720124.71 | 1647936.88 | 2159305.58 | |
| PS(40:6) | 909915.73 | 1111140.88 | 721957.19 | 1113749.29 | |
| Pseudouridine | 116154.64 | 106996.59 | 148233.29 | 118930.99 | |
| PS(O-34:1) | 1266792.14 | 1399565.29 | 1636266.42 | 1438592.46 | |
| PS(O-36:2) | 106925.32 | 136564.35 | 133056.65 | 127504.76 | |
| PS(O-42:2) | 1053989.97 | 1198840.75 | 1101547.79 | 1161423.71 | |
| PS(P-34:0) | 372507.66 | 437142.45 | 364689.25 | 447807.52 | |
| PS(P-42:1) | 1053989.97 | 1198840.75 | 1101547.79 | 1347834.21 | |
| Pyrimidine 5^-deoxynucleotide | 81304.54 | 78801.70 | 93042.01 | 98486.01 | |
| Pyroglutamic acid | 7097458.38 | 5612942.50 | 6624262.33 | 5069132.67 | |
| Pyrophosphate | 71998.86 | 70071.23 | 71092.35 | 62045.96 | |
| Pyruvaldehyde | 297539.89 | 675493.23 | 273210.84 | 780130.96 | |
| Pyruvate oxime | 205120.60 | 298204.26 | 229459.03 | 271268.01 | |
| Pyruvic acid | 1891037.62 | 403798.55 | 997249.69 | 407650.40 | |
| Quinic acid | 1152198.75 | 1359735.50 | 1273491.00 | 1357514.67 | |
| Reduced coenzyme F420 | 105086.79 | 43332.63 | 45342.41 | - | |
| Reticuline | 161010.37 | 161923.57 | 145659.33 | 159129.33 | |
| Ribose | 350102.00 | 284808.05 | 318364.04 | 241678.98 | |
| Ribose 5-phosphate | 267173.44 | 201956.68 | 153258.17 | 185046.72 | |
| Rishitin | 1546153.50 | 1490676.38 | 1513288.46 | 1448321.25 | |
| Rugosal | 31748.14 | 69488.73 | 37055.58 | 83622.05 | |
| Sarcinic acid | 1388149.66 | 1721094.92 | 1409944.42 | 1544921.58 | |
| Secobarbital | 2330108.75 | 2532187.92 | 2374274.08 | 2394358.75 | |
| Sedoheptulose 7-phosphate(2-) | 831403.50 | 240357.79 | 465647.18 | 253522.49 | |
| Ser/Ser/Ser/Thr/Thr | 87542.33 | 39519.38 | 58842.12 | 34102.55 | |
| "(S,E)-Zearalenone" | 128301.96 | 115362.96 | 140848.47 | 103563.97 | |
| sinapoyltyramine | 228819.27 | 249541.27 | 298886.06 | 239300.16 | |
| Sphingosine 1-phosphate | 162528.96 | 144435.34 | 164137.31 | 121953.42 | |
| Stearic acid | 12395340.50 | 32964962.00 | 24298113.33 | 32398071.33 | |
| Succinic acid | 9257344.12 | 11981884.67 | 10528298.33 | 13135448.67 | |
| Succinyladenosine | 3653603.25 | 2067989.04 | 2652136.83 | 2191844.25 | |
| Sulfate | 1817561.41 | 1893691.71 | 1212890.46 | 1854456.67 | |
| Sulfinpyrazone sulfide | 483819.85 | 319772.34 | 399825.99 | 335754.96 | |
| Sulfoacetaldehyde | 1266065.53 | 1006055.38 | 1010455.19 | 1017651.65 | |
| Sulforhodamine B | 226333.40 | 76853.50 | 93553.39 | 73755.83 | |
| Talbutal | 98451.28 | 91068.75 | 106267.73 | 85959.02 | |
| Tauro-b-muricholic acid | 112064.44 | 73976.56 | 91381.34 | 66153.54 | |
| Taurohyocholate | 334919.04 | 182452.66 | 323867.84 | 171677.14 | |
| Tetracosanoic acid | 111551.48 | 163784.77 | 146679.47 | 156941.86 | |
| Tetranor-PGF1alpha | 72116.41 | 74285.78 | 71987.56 | 80588.92 | |
| TG(36:0) | 315239.98 | 290853.79 | 161802.69 | 276550.71 | |
| TG(49:6) | 78662.59 | 97152.15 | 92724.66 | 95458.16 | |
| Thr/Ala/Pro | 2567822.81 | 139275.52 | 980273.15 | 98104.93 | |
| Thr/Asn | 906947.69 | 209041.33 | 581061.60 | 199038.42 | |
| Thr/Asp | 329253.58 | 63557.05 | 103469.69 | 56853.94 | |
| threo-1-(p-Hydroxyphenyl)propylene glycol 4^-glucoside | 84119.46 | 132336.03 | 107071.41 | 147377.92 | |
| Thr/Ser | 2066927.00 | 399004.59 | 1248671.04 | 411146.20 | |
| Thr/Ser/Ser | 110136.95 | 109138.30 | 128903.83 | 133576.48 | |
| Thr/Thr | 711943.61 | 130485.16 | 354515.97 | 140133.07 | |
| Thr/Thr/Ala | 171095.14 | - | 88384.37 | - | |
| Thymidine | 645739.80 | 1095122.58 | 1281342.29 | 1115218.17 | |
| Thymidine 5^-triphosphate | 19300.33 | 85612.74 | 51187.08 | 71013.55 | |
| Thymine | 175436.00 | 245350.94 | 400375.55 | 246616.21 | |
| trans-Aconitic acid | 94275.48 | 91098.18 | 107756.92 | 86748.26 | |
| trans-Dodec-2-enoic acid | 126016.38 | 119099.88 | 122644.16 | 118348.35 | |
| trans-Tetra-dec-2-enoic acid | 275061.60 | 151271.54 | 164719.61 | 141090.79 | |
| Tricosanoic acid | 117676.34 | 163330.80 | 125885.09 | 158140.42 | |
| Tridecanoic acid | 744315.33 | 700582.69 | 647635.33 | 611192.05 | |
| Tridecanoylglycine | 120611.98 | 94908.11 | 118743.11 | 56342.57 | |
| Trifluoroacetic acid | 461530.76 | 573188.75 | 496742.71 | 584648.23 | |
| Trigonelline | 682370.16 | 543457.04 | 667841.96 | 482796.91 | |
| Trp/Pro/Tyr | 134709.30 | 31740.73 | 80202.53 | 30129.01 | |
| Tuberculostearic acid | 275556.59 | 456017.16 | 399555.61 | 450654.30 | |
| Tyrosine | 5267446.88 | 6360465.83 | 5959973.67 | 5760516.83 | |
| UDP-glucose | 1413021.19 | 1444062.00 | 1377296.21 | 1388625.25 | |
| Undecanedioic acid | 91947.10 | 112902.98 | 121112.85 | 98393.60 | |
| Undecanoic acid | 476265.53 | 347372.61 | 457331.83 | 447560.36 | |
| unstable precolibactin intermediate | 105708.74 | 237902.50 | 173751.23 | 179912.83 | |
| Uplandicine | 353357.63 | 474562.63 | 441844.77 | 489393.02 | |
| Ureidoisobutyric acid | 487618.46 | 52187.00 | 220602.65 | 53190.14 | |
| Ureidosuccinic acid | 108663.38 | - | 3759.00 | - | |
| Uridine | 738587.30 | 283959.25 | 381516.02 | 368062.01 | |
| Uridine 5^-monophosphate | 13908000.50 | 1045335.25 | 3044041.50 | 908631.38 | |
| Uridine diphosphate glucuronic acid | 23895.38 | 36948.62 | 29425.92 | 32385.45 | |
| Uridine diphosphate-N-acetylglucosamine | 5706565.00 | 4905414.17 | 4513095.33 | 4597453.42 | |
| Uridine triphosphate | 36422.88 | 30017.65 | 36601.15 | 30319.07 | |
| Val/Ser | 766684.31 | 145674.12 | 392146.55 | 165619.79 | |
| Val/Thr | 4085474.56 | 283264.73 | 1696268.58 | 292499.86 | |
| Vinylacetylglycine | 854959.05 | 659420.58 | 1001284.00 | 523106.25 | |
| Vitamin A | 1225720.50 | 1418050.04 | 1186701.73 | 1422715.12 | |
| Vitisin B | 109681.39 | 79401.90 | 96078.26 | 86547.75 | |
| Xanthosine | 49391.97 | 213182.04 | 78640.47 | 219820.70 | |
| Xanthoxin | 411423.19 | 365966.83 | 526310.88 | 564587.61 | |
| xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside | 145716.52 | 126059.59 | 127724.77 | 154768.58 | |
| xi-7-Hydroxyhexadecanedioic acid | - | 86443.35 | 45777.49 | 39938.07 | |
| xi-gamma-Undecalactone | 78648.83 | 60861.09 | 64238.77 | 56457.13 | |
| Xylobiose | 96688.70 | 95201.55 | 102614.22 | 91231.67 | |
| Xylose | 140103.24 | 159556.05 | 134922.62 | 137433.34 |
Factors:
| F1 | Treatment:DMSO |
| F2 | Treatment:KAE609_20x_IC50 |
| F3 | Treatment:KAE609_5x_IC50 |
| F4 | Treatment:WEHI-1888504 |
