metabolite_name WT_EV_Fed_1 WT_EV_Fed_2 WT_EV_Fed_3 WT_EV_Stv_1 WT_EV_Stv_2 WT_EV_Stv_3 WT_raga1_Fed_1 WT_raga1_Fed_2 WT_raga1_Fed_3 L-Dihydroorotate 87862.64321 5831.713794 7230.23665 4781.930775 4246.236408 4188.739353 0 5589.663217 3832.144375 N-acetylcysteine 997505.8199 886302.779 355288.5236 1653912.703 650641.9526 1213118.382 179351.9545 21305.752 17203.73407 1-Methyladenosine 19181.43585 0 0 0 0 0 0 8330.936967 0 2-Aminoethylphosphonic acid 0 0 0 0 0 0 3147.929249 0 0 2-Deoxy-D-glucose 0 0 0 0 0 0 0 0 0 2-Oxobutyric acid 16996452.28 13296661.29 12493972.14 14072374.12 17455577.39 15929547.21 8248317.221 8000751.05 7831579.92 2,3-Dideoxycytidine 1904790.161 1906016.336 2098365.679 1714967.081 2479508.548 2556383.181 889107.7944 915628.841 983013.1557 2,4-Dihydroxypteridine 0 0 0 0 0 0 0 0 0 2',3' Cyclic CMP 430201.5526 357603.9777 527725.9807 150101.5038 127660.9266 210762.971 0 0 0 2-Phosphoglyceric acid 65609103.71 61056086.37 58909109.38 52784335.81 62895539.06 65118987.34 41290027.7 43408712.92 36481713.73 3-Dehydroshikimate 7807.400854 0 0 6873.540393 0 0 0 5655.805216 0 3-Methoxytyrosine 25206.70087 7016.098623 8023.714995 112499.9447 6072.180403 7149.756245 7365.876526 7798.346222 5854.779493 3-methylcrotonyl-CoA 0 0 0 8361.930616 0 6696.793176 5630.838056 0 0 3-Methylhistidine 1231640.302 1385222.089 1147025.082 517275.9122 722520.046 563680.6587 2231401.144 2143648.826 1884458.136 3-nitrotyrosine 10155.94978 7123.142655 7378.605544 4842.083958 3374.382139 3689.185226 0 0 0 3-Phenyllactic acid 76508495.8 58153134.41 54637533.3 95978438.88 110089386.5 104102331.3 25567004.24 27396791.79 25748288.15 3-Ureidopropionic acid 8523.493684 7345.873474 14128.88642 6266.667522 7308.891272 7576.783846 5736.96054 7219.084066 0 3,4-Dihydroxyphenylglycol 33581.27484 6718.953694 22440.38222 7375.976574 6938.709649 7684.014744 5487.223015 8457.602737 6456.57169 3-Phosphoglyceric acid 65530878.26 61029376.92 58906233 52069946.13 62807095.04 64983510.37 41217205.15 43406198.43 36479611.38 4-Acetamidobutanoic acid 0 0 0 0 0 0 0 0 0 4-Guanidinobutanoic acid 466225.894 43795.02579 11668.6013 66875.93645 67975.73449 17334.50936 57623.20931 48222.24875 37121.81017 4-Oxoproline 749928334.4 921597647.7 666100587.2 1004931624 528244942 619634042.1 702404809 578946869.6 504325096.5 4-Pyridoxic acid 311979.2969 72359.56701 24764.55141 76179.11832 0 37882.9552 0 168792.2959 34676.415 5-aminolevulinic acid 42620864.13 37718133.53 32063926.25 29522602.69 26927872.54 23802323.63 15801063.63 14297676.81 12196518.57 5-aminovalerate 7017933.071 6023042.306 5244955.504 5483747.636 5999864.818 4810017.914 0 0 0 5-Hydroxylysine 3675.079561 4127.362803 0 0 2911.63544 7735.361399 0 0 0 5-Hydroxytryptophan 0 10499.69913 0 0 0 2884.187988 5176.279786 0 0 5-Methylcytosine 10418.23672 5337.717841 4990.287272 4716.289219 3989.750905 4928.102312 5411.770717 152713.06 296925.3866 5-Methylthioadenosine 0 24500.36538 17099.60794 24993.98433 13386.29004 17271.38817 0 14027.3184 0 5-oxoproline 382353521.6 481611938.5 356669468 646335413.6 301837443.4 360805308.1 384859096.3 299693763.5 260415116.3 5'-deoxyadenosine 31060.9052 0 0 0 0 0 0 8896.270941 0 6-Hydroxynicotinate 0 0 0 0 0 0 0 0 0 6-Phospho-D-gluconate 26300.05014 0 31784.90886 608307.7977 691891.7795 392037.5138 0 0 12361.44133 Acetyl-CoA 4761338.006 5453430.226 5550239.906 9307540.411 10234463.54 10881981.49 1674317.375 1772900.265 1707880.333 Acetyl-L-carnitine 1327083.269 1388664.195 1250966.792 1083942.668 983557.7252 992183.826 995896.9767 944834.1629 702260.7506 Adenine 61796200.47 43496560.31 40251267.19 38242476.78 44051930.1 48143866.2 17835408 17438668.06 15033844.39 Adenosine 8572.333324 13170.21753 8113.294899 654439.4506 1046992.092 1713493.986 328174.5359 233085.3259 83187.47908 Adenosine 3',5'-diphosphate 17775657.49 15590045.11 14007900.59 14100425.99 16906074.62 13912108.32 15255874.39 14304747.97 15240309.31 Adenosine 5'-diphosphoribose 0 0 0 0 12721.75787 5927.208136 4925.772673 4579.819921 5420.612058 Adenosine-5'-diphosphoglucose 0 0 0 0 4599.364081 5060.072036 0 0 0 ADP 140027916.9 106022056.2 89209193.94 98083294.74 111907012.9 119537486.2 76054833.2 78214779.87 81257727.54 AICAR 112080.1345 83515.81654 62745.03432 1647312.689 1608268.521 1160506.636 0 0 0 Allantoin 8761376.878 9620341.633 8917193.157 5655701.465 4182233.349 5084849.337 2568468.89 2940667.996 4062412.978 alpha-hydroxybutyrate 193075378.7 196607475.2 167264980.6 197002465.4 160503785.6 155588907.3 98556162.43 109481745.9 93229012.1 alpha-Ketoglutarate 16711238.43 15476825.98 15031519.01 37576391.45 42124594.32 35627861.37 8129476.868 7700494.039 8011669.893 Aminoadipic acid 162925464.8 161897066.5 156873644 144676414.7 156419896.4 125952145.5 13970475.55 16363787.34 15399653.9 AMP 58435502.25 43678124.88 36972548.93 50583575.39 48612462.04 49663530.18 28156435.28 28656164.15 22877243.23 Aniline-2-sulfonic acid 23968490.37 28171841.26 21574242.18 24187798.43 25609681.97 23276297.47 28407091.02 23791546.05 27818616.24 Anserine 0 0 0 3792.962925 0 0 0 0 0 Arginine 183452270.4 176850420.8 157212073.7 117155233.3 139220598.9 130433900.5 264162438.2 242099152.2 208214970.8 Argininosuccinic acid 0 0 0 0 0 0 0 0 0 Ascorbate 12094920.08 29357316.51 24517717.85 6541353.015 15184305.8 10408733.19 29384627.21 26238512.58 18224824.34 Asparagine 13120257.1 38946565.19 31752678.09 35336522.45 30055201.26 20817517.91 180462648.4 180781048.3 166774062.1 ATP 269550934.2 243601926.6 224074294.9 218478272.4 222231333.7 211969607.8 231741544.5 227008574.6 230068892.4 Betaine 93815942.24 91988148.86 92713334.43 242787006.3 297977341.9 277098522.8 41778735.78 41916032.03 37690611.31 Carnosine 0 7473.291733 0 6603.708293 4263.150212 0 0 3982.985185 0 CDP 5611295.85 4335345.935 3787098.779 5101500.313 4571775.002 5235569.64 2369223.424 2367151.948 2442682.973 CDP-choline 10796627.26 11447343.33 10403552.95 5647322.939 7443682.537 6913000.627 12876885.7 13756070.74 12340399.41 CDP-ethanolamine 1687648.172 2445184.921 2025792.366 1579354.153 2171173.971 936735.7589 5875660.202 6593115.764 6274470.259 cGMP 1735418.312 1928131.425 1656384.596 2460931.586 2609581.803 2579361.169 525631.5591 521669.6737 372050.0477 cis-4-Hydroxy-D-proline 0 0 0 0 0 0 0 0 0 cis-aconitic ccid 19026458 9461890.659 7916498.794 20310032.65 18046820.07 16977168.06 4175939.856 4014790.674 4260497.488 Citramalate 142152215.9 121612257.4 97966139.76 88058542.62 67371697.9 62163159.88 49037214.43 42104385.7 37815878.62 Citrate 230057821 193205438.2 179524601.9 386698514.9 349804601.6 296960384.4 129214571.7 126575154 118037616.7 Citrulline 1658428.972 3033596.178 934747.3108 2940207.988 1323849.358 1226696.791 2108614.487 518368.8552 639691.7938 CMP 213404.0343 100709.1726 111726.7461 53232.38698 14320.21508 63606.69662 77866.6811 197182.5679 67911.51478 CMP-2-aminoethylphosphonate 7463.907102 6556.756651 5684.762283 0 0 4259.326764 8809.751991 5071.71794 71982.66592 Coenzyme A 15859.94078 14429.63926 24711.68975 7144.551499 18654.96652 21499.89232 5847.694911 23126.86818 5834.086893 Creatine 184986.5171 37271.40093 31734.62215 224045.8267 55177.58381 224726.01 18055.64718 307192.2725 8976.684374 Creatine Phosphate 0 0 0 0 0 0 0 0 0 Creatinine 5393141.645 0 0 19803857.84 0 0 0 0 0 CTP 7629483.623 7239318.013 6957941.658 7734489.628 8946676.282 9778740.611 5199647.12 5638740.395 6274563.639 Cyclic ADP-ribose 60363587.69 59210938.92 56617215.32 78549858.41 86540423.43 84218167.89 35861049.66 34075241.05 32334330.12 Cyclic AMP 7338313.025 6931497.131 7447911.959 4199240.826 4521035.251 4937941.608 2713777.941 2860458.309 2811374.817 Cystathionine 11287196.45 12044615.13 11028685.76 11609056.67 14073295.66 10229860.8 4174936.938 2762100.215 1725730.659 Cysteinesulfinic acid 5379058.72 5341952.609 5216659.966 3980976.292 4114015.795 4154669.826 2200009.273 1939851.029 1773346.678 Cystine 0 0 0 0 0 0 0 0 0 Cytidine 2630354.789 1340389.269 1111683.039 1931839.158 1694905.972 2219435.826 1497511.942 1229602.897 1109209.763 Cytosine 19817.81789 7657.08763 15007.96844 7169.020309 112292.3512 90709.893 16013.49485 127365.3423 69315.35107 D-alpha-Hydroxyglutaric acid 0 0 0 0 0 0 0 0 0 D-Galacturonate 4498923.177 3679543.255 3584084.14 2385011.922 1877611.342 1543379.938 2262757.205 2644912.66 2532480.647 D-Glucosamine 165626269.9 161462585.4 164963772.8 424849979.6 525705427.1 487037495.3 73095956.93 74105245.74 66282833.11 D-Glucosamine 6-Phosphate 24676.12525 42680.83765 56608.5118 95880.97622 41267.17122 27631.89979 85733.85831 0 0 D-Glucosamine-6-sulfate 0 0 0 0 0 0 0 0 0 D-Glucose 0 0 0 0 0 0 0 0 0 D-Glycerate 0 0 0 0 0 0 0 0 0 D-Malate 92954536.6 84896082.93 68714670.12 102487733.6 103925539.9 81038280.84 50474635.32 46513312.44 43483572.16 D-Ribose 5-phosphate 10732310.7 7925706.563 8313225.924 5485487.014 7781791.82 7075645.006 1016614.171 1271019.469 1083848.708 dAMP 0 0 0 5267.968812 8144.339456 48155.85433 0 0 0 dCDP 0 0 0 0 0 0 0 0 0 dCMP 10521.00847 0 0 5728.916854 0 8822.0326 0 31902.45016 25440.03463 Deoxyadenosine 10367.0521 0 0 0 0 0 0 0 0 Deoxycytidine 201114.7335 72579.54672 12964.81783 445235.7297 39719.85104 73425.10907 79350.94557 0 13910.29549 Deoxyguanosine 262021.4433 713913.1193 178859.3676 635698.4965 192995.2797 236125.4886 1512973.468 1436467.237 1414140.604 Deoxyuridine 240405.5239 0 0 0 0 0 0 0 0 dGMP 57994372.84 42230060.15 35824659.52 49454857.66 44731924.66 45339499.15 28196728.04 28797874.83 22982436.89 dGTP 0 0 0 0 0 0 0 0 0 DHAP 7926563.792 8036951.826 7046408.217 7478635.204 8642167.021 8016529.558 2353879.935 2602822.261 2339664.401 Diaminopimelate 7002.070358 5704.49161 0 221686.546 312951.3439 116284.8069 0 0 0 Dihydrofolic acid 0 72415.9177 0 0 0 0 0 0 0 Dihydroxybenzoic acid 0 0 0 0 0 0 0 0 9890.968865 Dopamine 0 0 0 0 0 0 0 0 0 dTDP-D-glucose 6644.072235 0 0 5002.095104 5301.597706 0 0 0 0 dUMP 0 0 0 0 0 0 0 0 0 dUTP 0 0 0 0 0 0 0 0 8447.892453 FAD 5850517.742 5919293.982 5215952.021 4608940.757 5104585.942 4822600.301 4307452.219 4673099.407 4249490.004 FGAR 8823.568396 8671.913831 8927.246311 10941.04929 26989.22673 586416.651 0 0 0 Folic acid 0 0 0 0 0 0 0 0 0 Fructose 1,6-bisphosphate 7408529.718 6658030.732 6859025.153 12664654.1 15461594.4 25011717.58 2284346.489 2361269.318 2139142.822 Fructose 6-phosphate 193416685.6 184155742.1 177396956.6 176361280.1 173369184.2 169588020.8 76418160.76 72804577.46 65763354.13 Fumarate 4983031.366 4130702.819 2452376.327 5962563.322 5438303.233 2845533.584 882151.1897 1003567.793 923184.1228 Galactarate 8532.862954 7294.402323 6400.89033 15949.54686 6007.232723 0 5464.350754 6026.472063 8463.168525 Galactose-1-phosphate 78155041.66 79809112.39 73746602.25 70152543.57 72607871.56 55701387.28 24507785.62 21621019.5 20418667.61 GalNAc 19790983.21 7000358.855 2050289.279 10353297.42 609873.5132 888485.1119 616871.1186 696879.9428 503240.5686 gamma-Glutamylcysteine 623132.2855 976460.6104 976524.5054 1133666.997 1770215.82 1771154.352 205892.9587 176644.4468 187457.3315 gamma-L-Glutamyl-L-alanine 0 63423.08157 48220.03983 6888.854176 7132.213134 11975.69161 7744.360748 0 0 GDP 22415354.94 15522976.81 12689431.85 16926773.71 15368064.65 19244156.92 11470035.64 10498981.56 9902786.762 GDP-alpha-D-mannose 2355682.666 2242098.94 1899182.223 1386122.886 1740599.931 1659459.327 2028192.352 1968379.306 1806254.494 GDP-fucose 1273227.597 1299350.011 1234199.566 914657.8005 1100978.04 1014246.406 991071.7338 909600.076 976018.053 Gluconate 29973872.79 21279583.67 13569339.41 26815699.1 14627086.11 14034498.67 25920359.64 20625247.65 20150215.84 Glucose 6-phosphate 194576247.4 185514634.3 177808629.3 178914201 210273161.6 170003183.9 76415128.65 72544600.24 64992239.17 Glucuronic acid 4498923.177 3679543.255 3584084.14 2382303.397 1877611.342 1543379.938 2260880.374 2644912.66 2532480.647 Glucuronolactone 44694.70629 13530.80561 5535.298315 5348.849389 6038.217953 6151.315072 18015.06509 7695.079336 5332.335251 Glutarylcarnitine 0 0 0 0 0 0 0 0 0 Glyceraldehyde 3-phosphate 7926871.557 8037517.216 7046639.152 7500987.161 8628161.698 8090696.625 2353921.93 2602954.737 2339805.033 Glycerol 3-phosphate 219778415.6 216042240.8 206460835.3 145273985.3 182130910.5 155707306.4 76092201.96 83361113.67 81216262.66 Glycine 0 0 0 0 0 0 0 0 0 Glyoxylic acid 0 0 0 0 0 0 0 0 0 GMP 6682784.123 4896330.249 3501791.303 8091109.814 6575431.313 6700144.625 3530102.82 3212381.625 2807702.185 GTP 21994949.22 18586418.82 16775165.46 19886032.04 23171459.22 23816065.74 15293338.64 13746378.17 19002857.23 Guanidinoacetate 0 0 0 5039.941649 0 0 3643.088491 3789.327086 0 Guanidinosuccinic acid 0 0 0 0 0 0 0 0 0 Guanine 373611935.7 308798446.8 249083321.2 188277934.7 196984007.5 213140305.4 382028149.1 378652799.8 391135252.4 Guanosine 2604489.072 4840009.607 2565601.988 8641049.012 5063826.935 6614464.32 17021576.49 16302577.73 15903768.39 Hexitol 690991.6686 2973615.619 586058.3964 58895350.93 6019919.682 8535095.957 744137.9855 4352911.221 680715.2935 Hexose-phosphate 76137693.4 77878266.32 71803592.02 67954234.47 77891617.5 53848453.08 23616443.45 20867957.28 19755561.78 HMG 0 0 0 0 0 0 0 0 0 HMG-CoA 0 0 0 0 0 0 0 0 4737.383202 Homocysteine 0 0 0 0 0 0 0 0 0 Homocystine 0 0 0 0 0 0 0 0 93337.15868 Homoserine 28658141.61 35439514.25 33713771.59 42073740.34 41865962.71 37207332.71 34926765.7 28889320.7 27041901.12 Hypotaurine 105438.2926 253383.8916 240471.4992 160117.9092 264718.4704 181780.9252 122625.9307 72351.32431 118882.7946 Hypoxanthine 69758637.48 60438375.38 44575019.41 67316863.08 67658287.69 71050944.74 34438369.86 35211954.48 33032389.16 Imidazoleacetic acid 0 0 0 0 0 0 0 0 0 IMP 1554349.843 1275791.092 1181841.838 894492.8242 927862.8775 955421.6796 858350.4187 959255.1273 748728.5781 Indole-3-lactic acid 1092598.422 174012.2453 36283.88119 1461126.789 69656.87428 25013.60893 29179.96297 3925.658838 14626.56831 Indoxyl sulfate 22180.1232 0 0 32832.68869 0 0 0 0 0 Inosine 362303.9205 1057870.541 344875.458 3794919.965 1254681.531 1246613.695 4900785.222 5812825.04 3852573.809 Inosine triphosphate 0 0 0 0 0 0 0 0 0 Inosine-5'-diphosphate 0 0 0 0 0 0 0 0 0 Isocitrate 0 0 0 0 0 0 21377788.18 22639705.35 20563201.8 Isopentenyl pyrophosphate 0 0 0 0 0 0 0 0 0 Kynurenine 16937.71098 6830.513766 6865.90895 5746.344213 6669.448015 6887.903391 0 0 0 L-Alanine 403004386.4 480329626.8 435077445.5 287264804.7 335492103.2 321636107.2 351083096.1 311986000 279919923.4 L-allothreonine 29360109.46 36357448.88 34581333.62 43111843.21 42705662.65 38095949.18 35910980.01 29707522.02 27877287.46 L-Aspartate 446286355.9 422626110.7 298922054.7 162129894.8 112784076.9 99747517.93 209216783.5 197763772.3 179105432.5 L-carnitine 0 0 0 0 0 0 0 0 6825.990113 L-Cysteic acid 1810917.897 360636.4489 168461.8846 361590.0839 81928.71808 0 91379.94758 73105.47062 43337.83689 L-Cysteine 0 0 0 0 0 0 0 0 0 L-Dopa 7184.507006 7724.457354 5852.797535 6855.509738 5032.566746 0 4499.725064 11077.18523 4881.974742 L-Glutamate 1296332835 1375154625 1249090677 1176422983 1282467395 1252858973 1172719317 1248302109 1160098205 L-Glutamine 347712412.4 362567311.5 328590314.1 220735076.3 255834781.5 247161968.6 439415196.1 407302702.7 388078890.4 L-Glutathione oxidized 23079630.02 25982976.32 24310413.7 25367612.41 25422673.69 24656835.74 15086328.86 12552963.76 9188704.591 L-Glutathione reduced 506019896.5 529333471.1 549191526.3 462563994.3 644050884.8 640957337.4 245428524.6 267622217.1 278214450.1 L-Histidine 0 0 0 0 0 0 0 0 0 L-Isoleucine 126992989.7 145595183.5 141122787 140150608.7 131967108.4 136070502 46794442.24 40179928.08 36646449.69 L-Leucine 129137304.7 125742545.1 110323158.9 124398191.2 103153138.6 111898829.3 47354245 36950779.47 31793000.53 L-Proline 6771029.953 8524916.374 6591199.755 7981455.133 5488832.555 5927191.543 7811259.599 7127473.648 6858570.87 L-Serine 59598643.79 68839551.79 49892821.37 74786088.16 27784094.05 25290290.73 68691032.33 55322402.39 49942812.67 L-Threonine 30253464.48 36827359.58 34353906.9 43042136.88 42107436.54 37442687.12 36216926.85 29695901.11 28172659.28 L-Tryptophan 47197227.38 47463194.25 39533525.78 60716193.19 68962634.26 60292532.01 48488124.47 43317780.03 42458773.72 L-Tyrosine 12516376.52 12812180.62 10261944.15 20968113.14 16319143.52 15221755.3 5530752.107 4490295.144 3749177.287 L-Valine 60841911.87 63169030.01 66420893.21 53334601.21 51419486.49 48319457.84 13062023.69 10480659.55 9322303.067 Lactate 11333645380 15451698375 6522687295 15888341911 5592715120 7462456678 5569963890 2935842899 2078913504 Lactose 1335832306 1350882702 1213823937 2047803525 2296763948 2180041541 477697764.3 421419591.3 394276401.1 Lauroylcarnitine 0 0 0 0 0 0 0 0 0 Lysine 5950664.766 6033169.145 5465961.839 7257663.443 6517040.911 6607069.048 8798452.795 5310391.524 5581876.59 Malate 90779208.83 82814500.59 75542867.86 93553868.3 95099252.68 79061782.98 55151798.44 50489606.72 46948463.58 Malonate 0 0 0 0 0 0 0 0 0 Mannose-6-phosphate 76608741.83 78291453.61 72213559.73 68332391.41 78323700.48 54198665.65 23831174.6 21002207.69 19870998.12 Meso-tartrate 0 0 0 0 0 0 0 0 0 Mesoxalic acid 1026972.363 676609.3669 418665.299 612259.8733 193758.9341 187481.8236 237097.8773 364774.0421 218313.3579 Methionine 6028132.683 6809733.081 6316784.969 6643484.332 7556925.402 7799850.337 1843992.553 1699692.65 1167060.127 Methionine sulfoximine 0 0 0 0 0 0 0 0 0 Methyl beta-galactoside 3417927.458 976812.3231 1002185.65 1542964.66 1492007.213 2002716.996 958255.3003 1202451.412 851169.0455 Mevalonate 15713520.34 12734578.5 11928095.16 9475841.356 7329984.418 5593567.77 8003854.753 7295149.971 0 Mevalonolactone 168770230.6 161423741.4 139924782.5 131759353.6 97187626.71 114942724.1 107370637.2 139634621.2 98939928.26 N-Acetylalanine 42795178.96 37778984.55 32034017.63 29551573.43 26938375.41 23819747.73 15819394.83 14289438.71 12208364.99 N-Acetylasparagine 8245452.954 2020658.949 1387817.894 3540818.753 1030322.222 1092329.095 1431651.371 870109.015 637048.5724 N-acetylaspartate 62136722.34 53215026.94 49050625.38 27986186.15 21512183.04 20362428.35 30837456.59 35476531.64 35108630.7 N-acetylglutamate 8265597.186 6130688.933 5288344.316 9211115.509 9431590.585 8324740.882 3126002.419 3508401.177 2753370.315 N-acetylglycine 19657235.22 0 0 0 0 0 0 0 0 N-Acetylmannosamine 20026310.79 7030878.818 2056671.293 10597188.67 609873.5132 888485.1119 616871.1186 697194.8705 503240.5686 N-Acetylneuraminate 9579.972545 0 0 457215.2086 6271.117351 18876.46843 0 0 0 N-acetylputrescine 3767.396412 7219.091647 3254.965649 14196.95498 5751.78936 4427.987016 51995.62314 15612.19388 3295.43008 N-Acetylserine 0 0 0 0 0 0 0 0 0 N-Acetyltryptophan 26805.60689 0 16438.12078 16328.22051 13847.03777 14386.85389 257730.0343 196807.6981 254051.8826 N-Alpha-acetyllysine 3645881.833 3762071.727 3586028.056 1983308.165 2217539.004 2001660.594 4173445.607 3856780.69 3605279.066 N-Carbamoyl-L-aspartate 211576.1523 199129.7517 55519.87884 17070.30615 42878.41892 0 0 0 0 N-formyl-L-methionine 2219285.183 4718075.571 4808739.389 8078384.338 8616328.575 10181752.74 32131.64366 0 0 N-methylglutamate 0 0 0 0 0 0 0 0 0 N-Nitrosoproline 45736.92079 8002.090245 11591.29408 7777.675937 7383.350124 6871.186533 13346.10561 9813.811732 7700.317371 N,N-Dimethylarginine 48982.33794 43651.60911 19875.9419 86273.51311 59209.77097 39845.77253 161588.4741 162687.9388 104897.4966 NAD 33138053.83 34592059.9 32667349.21 47715509.65 52288868 50913054.09 21096928.25 20043839.17 18927311.96 NADH 0 23247.28323 239631.6056 55694.14119 1456399.404 856692.5064 110615.3606 468733.7542 531609.3613 NADP 5160155.237 4499804.428 4269018.192 4725388 5082638.908 4945648.13 1261895.949 1239959.455 1032432.885 NADPH 0 0 0 0 0 0 0 0 0 NHD 0 0 0 0 0 0 0 0 0 Nicotinamide 9035168.39 13810679.87 13248465.17 127597711.8 2616841.644 1485945.951 9073506.697 3757602.869 2010489.132 Nicotinate 92926800.12 42720887.6 69517471.33 216302605.1 60614284.44 65671049.02 8651575.937 10951845.95 17897458.65 NMDA 0 0 0 0 0 0 0 0 0 NMN 0 0 0 0 0 0 0 0 0 Normetanephrine 8184.202724 12816.46619 5721.713421 3387.129326 6197.136344 3011.449488 3296.320188 4853.039176 4593.39026 Norvaline 62704245.1 73873935.52 74870138.7 60793675.9 59384598.97 55475077.86 21024955.18 17981382.72 17361378.84 O-Acetylserine 15174848.63 0 0 0 0 0 0 0 0 O-Phosphorylethanolamine 13030402.76 16084000.04 11485125.25 9472750.595 10397554.6 6604039.061 25494960.45 26887611.19 22680779.49 O-Succinyl-L-homoserine 0 0 0 0 0 3381.05836 0 0 0 Ophthalmic acid 17102.77194 13591.04861 13155.45665 116952.506 6495.215121 112544.4449 0 0 0 Ornithine 1007887.977 1266948.298 989783.4602 715191.2431 527635.1542 775672.3961 672796.4945 785560.2323 736651.9594 Orotic acid 17395897.33 3846216.986 3395199.071 2431982.8 1854749.294 2252813.149 1189661.882 2349243.221 2749138.986 Orotidine 0 0 0 0 0 0 0 0 0 p-Hydroxyphenylacetic 0 0 0 0 0 0 0 0 0 Pantothenic acid 805876344.5 896551950 838954760.4 590197834.2 754439479.4 698156372.5 1089973635 1145939350 1055010194 Paraxanthine 25252.76148 38485.91387 23062.43435 924154.5458 17240.45022 26365.5071 51109.25264 20870.9659 16902.51802 Phenylalanine 65188737.08 69229673.44 59005462.84 80482327.29 69082415.66 75160086.71 37640154.17 31338297.51 26733685.77 Phenylalanine-M+8-IS 510140905.1 515869305.2 452139291.5 469402461.8 423711648.8 461300609.3 432378257.8 461338629 446627726.3 Phenylpyruvic acid 148140264.8 109350834 111225922 300120330.9 250405494.6 210740860.2 45004452.13 51531749.07 50124416.76 Phosphoenol pyruvate 7774997.472 7301532.762 6501452.969 7416864.595 8324601.942 8645028.628 4525649.708 4524637.746 4491180.762 Phosphonoacetate 0 0 70200.47156 0 0 0 0 0 0 Phosphorylcholine 71659969.91 79958832.2 74387298.32 44282268.58 59897753.21 53946944.43 147148810.7 170911315 160832246.7 Phosphoserine 7730056.074 9812030.934 7246815.072 3170179.744 3635523.05 3087295.427 39719655.14 41760073.73 35774218.54 Phytic acid 0 0 0 0 0 0 0 0 0 Pipecolic acid 0 0 0 0 0 0 23629.37063 31843.01044 17081.24444 PRPP 0 0 0 0 0 0 2507.659128 0 0 Purine Base 0 0 0 0 0 0 0 0 0 Pyridoxine 3083601.672 0 2393863.097 1979347.748 0 0 0 0 0 Pyruvate 2066831356 2154251419 1790472578 2213726297 1889926559 1860080767 1038209435 765666064.4 554949870.1 Quinic acid 8597.503374 8129.411242 7926.531946 0 6485.731507 9915.912607 6660.614516 7132.030813 7638.802414 Quinolinate 21018.59244 5545.213414 4143.115857 6093.687378 0 0 3314.452902 4623.283917 0 R 2-HG 137772287.5 120020276.5 97122908.36 83017244.8 62723651.01 59097980.36 51227051.01 48684341.76 44080134.99 Raffinose 47125.12237 22500.72558 0 2996198.669 3050618.336 1329074.567 0 0 0 Rhamnose 0 0 0 0 0 0 0 0 0 Riboflavin 1455912.811 1288537.809 845246.4777 306161.3436 344142.1179 614396.2349 1204416.666 1269352.477 1127315.173 S-Adenosyl-L-homocysteine 26676.58615 85007.90144 93178.39545 806469.4471 755177.3129 753711.4918 29524.3226 5860.286551 0 S-carboxymethylcysteine 0 0 0 0 0 0 0 0 0 S-Hexylglutathione 0 0 0 0 0 0 0 0 0 Saccharate 15534.79369 7294.402323 0 17834.90344 6007.232723 0 11321.35455 6026.472063 10894.44628 Sedoheptulose-7-phosphate 17229345.57 17759890.8 15891296.16 21055975.79 25128814.46 17822841.82 10846356.56 9485852.76 8591083.228 Shikimic acid 21773730.82 10526757.33 8956575.408 10172464.65 6641590.364 6911783.116 8131736.973 6216694.492 6606034.408 Stachyose 1178477.564 808080.2971 581686.3471 1332822.032 1207304.847 1663625.922 0 0 0 Succinate 229116982.9 174229747.9 154532984.9 148612160.6 144466012.8 155167613.6 111968093.1 145302096 138798874.3 Tartrate 13094454.51 5481164.783 2653488.286 3380966.18 2595301.086 2761723.562 6860473.132 2095871.74 2852755.089 Taurine 547715433.5 250852755.6 68300172.27 342055144.2 16999278.92 23203528.92 18353800.69 15064086.06 9119637.222 Theobromine 25252.76148 36753.79739 15551.15177 707365.6661 15007.80965 20273.04367 17899.1688 17114.29241 15215.42362 Theophylline 18153.45597 36753.79739 15532.33183 707365.6661 17686.23544 19637.08846 17899.1688 36186.64467 19338.16942 Thiamine monophosphate 17278.80601 68351.30742 65207.74834 61535.94009 113235.6765 70968.22701 15960.56216 28693.51952 4358.872894 Thymidine 0 22756.19346 20587.16604 76468.96677 48911.55721 18639.59784 17341.19079 30974.18501 31925.90497 Thymine 8236706.753 4725483.191 4056513.991 6174691.637 6367889.937 6155115.286 2430559.894 2879983.463 2094074.127 Thyrotropin-releasing hormone 0 0 0 0 0 3958.644433 0 0 0 TMP 0 16535.72086 15518.43907 397078.402 360521.2213 465089.5443 0 0 0 trans-1,2-Cyclohexanediol 525587263.3 422261079.1 116915107.4 105909413 126526399.6 290236847.3 147244518.3 177149283.5 366655428.8 trans-4-Hydroxy-L-proline 0 0 0 0 0 0 0 0 0 trans-Aconitic acid 1791376.174 666520.701 446545.4073 577927.5885 231157.6201 420915.7299 465736.0721 376464.6275 547899.778 Trehalose 1334432621 1350882702 1213823937 2049248828 2296782291 2177870579 477697764.3 421419591.3 394276401.1 Trigonelline 0 0 0 0 0 0 0 0 0 Trimethyllysine 3123.285178 0 0 2986.129214 2600.772634 5400.854725 0 0 0 UDP 13703775.52 11599493.35 9714671.431 12195106.83 11922014.47 9975858.468 7198271.747 7396644.815 7123217.901 UDP-GalNAc 49173646.94 49828159.89 49975353.61 31950430.03 45904088.67 41794639.11 33802206.46 37992430.33 34938093.22 UDP-glucose 64834833.95 63883151.93 57210607.78 75745674.64 87014623.99 71856152.74 38481555.73 35896002.83 35053115.62 UDP-N-acetylglucosamine 49173646.94 49828159.89 49975353.61 31950430.03 43711243.27 41794639.11 33802206.46 37992430.33 34938093.22 UMP 11346649.31 7779585.438 6367549.32 11423862.04 7951728.595 10321703.95 2710807.259 3433832.56 2633017.15 Uracil 83386684.39 55072556.05 48899882.14 52811462.49 53349811.61 65245802.4 23454201.9 23862765.89 21686276.29 Uracil-5-carboxylate 39156829.79 4469250.507 3362949.854 4118728.674 2804124.834 3108413.419 299796.0665 178205.1133 232176.2858 Uric Acid 4224159344 3753403802 3214768591 3316616405 3464455667 3588150448 3618032268 3397139557 3268528037 Uridine 2537460.851 4305923.183 2857628.019 5457265.25 4837639.172 7473884.364 8010628.01 8230682.012 7578201.444 Uridine 5'-diphosphogalactose 64706790.45 63712045.69 56928901.37 75515838.09 86830881.03 71700551.98 38279047.07 35812840.67 34937505.18 UTP 19226303.5 18886115.72 18117222.24 17291311.09 21057414.92 21760721.59 17127179.49 17581096.93 18261018.94 Xanthine 194611431.6 189647956 156006149.6 257484946.1 256736558.6 309398600.7 138827062.8 135219228.9 125507390.4 Xanthosine 0 0 7940.077483 0 0 5293.201359 0 0 0 XMP 8985.78375 0 0 0 0 0 0 0 0 metabolite_name Chemical Formula Expected Mass m/z RT L-Dihydroorotate C5H6N2O4 157.03 8.62 N-acetylcysteine C5H9NO3S 162.02 5.03-5.33 1-Methyladenosine C11H15N5O4 280.11 7.04 2-Aminoethylphosphonic acid C2H8NO3P 124.02 12.47 2-Deoxy-D-glucose C6H12O5 163.06 11.07 2-Oxobutyric acid C4H6O3 101.02 12.26-12.56 2,3-Dideoxycytidine C9H13N3O3 210.09 11.43-12.03 2,4-Dihydroxypteridine C6H4N4O2 163.03 7.1 2',3' Cyclic CMP C9H12N3O7P 304.03 10.26-10.86 2-Phosphoglyceric acid C3H7O7P 184.99 12.95-13.65 3-Dehydroshikimate C7H8O5 171.03 9.36 3-Methoxytyrosine C10H13NO4 210.08 9.84 3-methylcrotonyl-CoA C26H42N7O17P3S 848.15 9.54 3-Methylhistidine C7H11N3O2 168.08 10.38-10.88 3-nitrotyrosine C9H10N2O5 225.05 11.23 3-Phenyllactic acid C9H10O3 165.06 2.92-3.52 3-Ureidopropionic acid C4H8N2O3 131.05 9.64 3,4-Dihydroxyphenylglycol C8H10O4 169.05 8.2 3-Phosphoglyceric acid C3H7O7P 184.99 13.14 4-Acetamidobutanoic acid C6H11NO3 144.07 7.22 4-Guanidinobutanoic acid C5H11N3O2 144.08 11.58-11.88 4-Oxoproline C5H7NO3 128.04 8.79-9.49 4-Pyridoxic acid C8H9NO4 182.05 2.27 5-aminolevulinic acid C5H9NO3 130.05 6.77 5-aminovalerate C5H11NO2 116.07 12.01 5-Hydroxylysine C6H14N2O3 161.09 15.22 5-Hydroxytryptophan C11H12N2O3 219.08 11.38 5-Methylcytosine C5H7N3O 124.05 8.52 5-Methylthioadenosine C11H15N5O3S 296.08 6.81 5-oxoproline C5H7NO3 128.04 7.60-8.50 5'-deoxyadenosine C10H13N5O3 250.09 7.04 6-Hydroxynicotinate C6H5NO3 138.02 8.59 6-Phospho-D-gluconate C6H13O10P 275.02 13.45-13.75 Acetyl-CoA C23H38N7O17P3S 808.12 10.59-11.09 Acetyl-L-carnitine C9H17NO4 202.11 9.37 Adenine C5H5N5 134.05 7.88-8.48 Adenosine C10H13N5O4 266.09 7.98 Adenosine 3',5'-diphosphate C10H15N5O10P2 426.02 12.91 Adenosine 5'-diphosphoribose C15H23N5O14P2 558.06 11.95 Adenosine-5'-diphosphoglucose C16H25N5O15P2 588.07 11.97 ADP C10H15N5O10P2 426.02 12.32 AICAR C9H15N4O8P 337.06 12.15 Allantoin C4H6N4O3 157.04 10.66 alpha-hydroxybutyrate C4H8O3 103.04 4.82-5.22 alpha-Ketoglutarate C5H6O5 145.01 12.29-12.59 Aminoadipic acid C6H11NO4 160.06 11.93 AMP C10H14N5O7P 346.06 11.51 Aniline-2-sulfonic acid C6H7NO3S 172.01 5.01 Anserine C10H16N4O3 239.11 11.25 Arginine C6H14N4O2 173.1 16.87 Argininosuccinic acid C10H18N4O6 289.12 13.22 Ascorbate C6H8O6 175.02 10.93-11.53 Asparagine C4H8N2O3 131.05 12.03 ATP C10H16N5O13P3 505.99 13.06 Betaine C5H11NO2 116.07 9.35 Carnosine C9H14N4O3 225.1 12.09 CDP C9H15N3O11P2 402.01 13.16 CDP-choline C14H26N4O11P2 487.1 12.12 CDP-ethanolamine C11H20N4O11P2 445.05 12.58-13.08 cGMP C10H12N5O7P 344.04 11.09-11.59 cis-4-Hydroxy-D-proline C5H9NO3 130.05 11.65 cis-aconitic ccid C6H6O6 173.01 13.37-14.27 Citramalate C5H8O5 147.03 11.81-12.51 Citrate C6H8O7 191.02 13.35 Citrulline C6H13N3O3 174.09 12.25 CMP C9H14N3O8P 322.04 12.13-12.53 CMP-2-aminoethylphosphonate C11H20N4O10P2 429.06 12.16 Coenzyme A C21H36N7O16P3S 766.11 11.8 Creatine C4H9N3O2 130.06 11.21-11.61 Creatine Phosphate C4H10N3O5P 210.03 12.15 Creatinine C4H7N3O 112.05 8.16 CTP C9H16N3O14P3 481.98 13.85 Cyclic ADP-ribose C15H21N5O13P2 540.05 11.55 Cyclic AMP C10H12N5O6P 328.05 7.93 Cystathionine C7H14N2O4S 221.06 12.89 Cysteinesulfinic acid C3H7NO4S 152 11.59-12.09 Cystine C6H12N2O4S2 239.02 12.58 Cytidine C9H13N3O5 242.08 9.58-10.28 Cytosine C4H5N3O 110.04 9.76 D-alpha-Hydroxyglutaric acid C5H8O5 147.03 12.51 D-Galacturonate C6H10O7 193.04 11.82-12.52 D-Glucosamine C6H13NO5 178.07 9.34 D-Glucosamine 6-Phosphate C6H14NO8P 258.04 12.75 D-Glucosamine-6-sulfate C6H13NO8S 258.03 12.51 D-Glucose C6H12O6 179.06 11.43 D-Glycerate C3H6O4 105.02 8.89 D-Malate C4H6O5 133.01 12.59 D-Ribose 5-phosphate C5H11O8P 229.01 11.97-12.37 dAMP C10H14N5O6P 330.06 10.72 dCDP C9H15N3O10P2 386.02 12.68 dCMP C9H14N3O7P 306.05 11.97 Deoxyadenosine C10H13N5O3 250.09 7.4 Deoxycytidine C9H13N3O4 226.08 8.62-8.92 Deoxyguanosine C10H13N5O4 266.09 9.28-9.58 Deoxyuridine C9H12N2O5 227.07 7.27 dGMP C10H14N5O7P 346.06 11.27-11.87 dGTP C10H16N5O13P3 505.99 13.72 DHAP C3H7O6P 168.99 12.28 Diaminopimelate C7H14N2O4 189.09 13.5 Dihydrofolic acid C19H21N7O6 442.15 12.64 Dihydroxybenzoic acid C5H11NO2Se 195.99 9.35 Dopamine C8H11NO2 152.07 16.2 dTDP-D-glucose C16H26N2O16P2 563.07 11.65 dUMP C9H13N2O8P 307.03 11.13 dUTP C9H15N2O14P3 466.97 13.02 FAD C27H33N9O15P2 784.15 9.98-10.58 FGAR C8H15N2O9P 313.04 12.25 Folic acid C19H19N7O6 440.13 13.03 Fructose 1,6-bisphosphate C6H14O12P2 338.99 14.07 Fructose 6-phosphate C6H13O9P 259.02 12.62-13.52 Fumarate C4H4O4 115 12.53-12.83 Galactarate C6H10O8 209.03 13.19 Galactose-1-phosphate C6H13O9P 259.02 12.49-12.99 GalNAc C8H15NO6 220.08 9.62-10.42 gamma-Glutamylcysteine C8H14N2O5S 249.06 11.39-11.89 gamma-L-Glutamyl-L-alanine C8H14N2O5 217.08 9.12 GDP C10H15N5O11P2 442.02 13.72 GDP-alpha-D-mannose C16H25N5O16P2 604.07 13.87 GDP-fucose C16H25N5O15P2 588.07 13.5 Gluconate C6H12O7 195.05 11.07 Glucose 6-phosphate C6H13O9P 259.02 13.07 Glucuronic acid C6H10O7 193.04 11.83-12.53 Glucuronolactone C6H8O6 175.02 8.31 Glutarylcarnitine C12H21NO6 274.13 10.56 Glyceraldehyde 3-phosphate C3H7O6P 168.99 12.13-12.63 Glycerol 3-phosphate C3H9O6P 171.01 11.81-12.51 Glycine C2H5NO2 74.02 7.6 Glyoxylic acid C2H2O3 72.99 12.92 GMP C10H14N5O8P 362.05 13.09 GTP C10H16N5O14P3 521.98 14.34 Guanidinoacetate C3H7N3O2 116.05 12.13 Guanidinosuccinic acid C5H9N3O4 174.05 12.2 Guanine C5H5N5O 150.04 9.94 Guanosine C10H13N5O5 282.08 10.28 Hexitol C6H14O6 181.07 10.67-11.37 Hexose-phosphate C6H13O9P 259.02 12.45-12.95 HMG C6H10O5 161.05 11.44 HMG-CoA C27H44N7O20P3S 910.15 12.16 Homocysteine C4H9NO2S 134.03 12.52 Homocystine C8H16N2O4S2 267.05 12.48 Homoserine C4H9NO3 118.05 11.25-11.95 Hypotaurine C2H7NO2S 108.01 11.44-11.74 Hypoxanthine C5H4N4O 135.03 8.51 Imidazoleacetic acid C5H6N2O2 125.04 9.23 IMP C10H13N4O8P 347.04 12.4 Indole-3-lactic acid C11H11NO3 204.07 4.76-5.16 Indoxyl sulfate C8H7NO4S 212 5.54 Inosine C10H12N4O5 267.07 9.2 Inosine triphosphate C10H15N4O14P3 506.97 13.7 Inosine-5'-diphosphate C10H14N4O11P2 427.01 13.01 Isocitrate C6H8O7 191.02 13.99 Isopentenyl pyrophosphate C5H12O7P2 245 10.66 Kynurenine C10H12N2O3 207.08 9.24 L-Alanine C3H7NO2 88.04 11.47 L-allothreonine C4H9NO3 118.05 11.25-12.05 L-Aspartate C4H7NO4 132.03 12.23 L-carnitine C7H15NO3 160.1 10.7 L-Cysteic acid C3H7NO5S 168 12.25-12.55 L-Cysteine C3H7NO2S 120.01 12.6 L-Dopa C9H11NO4 196.06 11.94 L-Glutamate C5H9NO4 146.05 11.76 L-Glutamine C5H10N2O3 145.06 11.77 L-Glutathione oxidized C20H32N6O12S2 611.14 13.04-13.74 L-Glutathione reduced C10H17N3O6S 306.08 11.93 L-Histidine C6H9N3O2 154.06 12.89 L-Isoleucine C6H13NO2 130.09 9.36-10.34 L-Leucine C6H13NO2 130.09 8.97-9.36 L-Proline C5H9NO2 114.06 10.36 L-Serine C3H7NO3 104.04 12.14 L-Threonine C4H9NO3 118.05 11.4 L-Tryptophan C11H12N2O2 203.08 9.72 L-Tyrosine C9H11NO3 180.07 10.40-10.90 L-Valine C5H11NO2 116.07 10.14 Lactate C3H6O3 89.02 5.79-7.79 Lactose C12H22O11 341.11 12.37 Lauroylcarnitine C19H37NO4 342.26 6.76 Lysine C6H14N2O2 145.1 16.26 Malate C4H6O5 133.01 12.43-13.03 Malonate C3H4O4 103 11.97 Mannose-6-phosphate C6H13O9P 259.02 12.46-12.96 Meso-tartrate C4H606 657.73 12.72 Mesoxalic acid C3H2O5 116.98 14.09-14.79 Methionine C5H11NO2S 148.04 9.37-9.97 Methionine sulfoximine C5H12N2O3S 179.05 11 Methyl beta-galactoside C7H14O6 193.07 8.55-9.15 Mevalonate C6H12O4 147.07 6.81 Mevalonolactone C6H10O3 129.06 4.81 N-Acetylalanine C5H9NO3 130.05 6.78 N-Acetylasparagine C6H10N2O4 173.06 9.05-9.75 N-acetylaspartate C6H9NO5 174.04 11.72-12.42 N-acetylglutamate C7H11NO5 188.06 11.50-12.00 N-acetylglycine C4H7NO3 116.04 7.62 N-Acetylmannosamine C8H15NO6 220.08 9.51-10.41 N-Acetylneuraminate C11H19NO9 308.1 10.78 N-acetylputrescine C6H14N2O 129.1 14.25 N-Acetylserine C5H9NO4 146.05 8.04 N-Acetyltryptophan C13H14N2O3 245.09 6.69 N-Alpha-acetyllysine C8H16N2O3 187.11 11.72 N-Carbamoyl-L-aspartate C5H8N2O5 175.04 12.84-13.24 N-formyl-L-methionine C6H11NO3S 176.04 5.09 N-methylglutamate C6H11NO4 160.06 10.35 N-Nitrosoproline C5H8N2O3 143.05 9.33 N,N-Dimethylarginine C8H18N4O2 201.14 14.49-14.89 NAD C21H27N7O14P2 662.1 11.63 NADH C21H29N7O14P2 664.12 11.07-11.47 NADP C21H28N7O17P3 742.07 13.03 NADPH C21H30N7O17P3 744.08 12.84 NHD C21H26N6O15P2 663.09 12.27 Nicotinamide C6H6N2O 121.04 4.95-5.35 Nicotinate C6H5NO2 122.02 5.24 NMDA C5H9NO4 146.05 10.86 NMN C11H15N2O8P 333.05 12.57 Normetanephrine C9H13NO3 182.08 11.37 Norvaline C5H11NO2 116.07 9.97-10.67 O-Acetylserine C5H9NO4 146.05 8.38 O-Phosphorylethanolamine C2H8NO4P 140.01 12.48-13.08 O-Succinyl-L-homoserine C8H13NO6 218.07 10.96 Ophthalmic acid C11H19N3O6 288.12 10.77 Ornithine C5H12N2O2 131.08 15.34 Orotic acid C5H4N2O4 155.01 7.30-8.00 Orotidine C10H12N2O8 287.05 10.48 p-Hydroxyphenylacetic C8H8O3 151.04 7.62 Pantothenic acid C9H17NO5 218.1 7.05 Paraxanthine C7H8N4O2 179.06 4.94 Phenylalanine C9H11NO2 164.07 8.32-9.42 Phenylalanine-M+8-IS C9D8H3NO2 172.12 8.02-9.92 Phenylpyruvic acid C9H8O3 163.04 2.13-3.63 Phosphoenol pyruvate C3H5O6P 166.98 13.47 Phosphonoacetate C2H5O5P 138.98 12.74 Phosphorylcholine C5H14NO4P 182.06 11.93 Phosphoserine C3H8NO6P 184 12.87 Phytic acid C6H18O24P6 658.85 15.23 Pipecolic acid C6H11NO2 128.07 10.16 PRPP C5H13O14P3 388.94 14.15 Purine Base C5H4N4 119.04 6.79 Pyridoxine C8H11NO3 168.07 6.84 Pyruvate C3H4O3 87.01 4.82-5.22 Quinic acid C7H12O6 191.06 9.97 Quinolinate C7H5NO4 166.01 12.49 R 2-HG C5H8O5 147.03 12.13 Raffinose C18H32O16 503.16 12.72 Rhamnose C6H12O5 163.06 8.93 Riboflavin C17H20N4O6 375.13 7.75-8.25 S-Adenosyl-L-homocysteine C14H20N6O5S 383.11 10.87-11.37 S-carboxymethylcysteine C5H9NO4S 178.02 11.64 S-Hexylglutathione C16H29N3O6S 390.17 7.24 Saccharate C6H10O8 209.03 13.08 Sedoheptulose-7-phosphate C7H15O10P 289.03 12.9 Shikimic acid C7H10O5 173.05 11.23-11.83 Stachyose C24H42O21 665.21 12.95-13.35 Succinate C4H6O4 117.02 12.08-12.48 Tartrate C4H6O6 149.01 13.02-13.52 Taurine C2H7NO3S 124.01 11.30-11.80 Theobromine C7H8N4O2 179.06 4.81 Theophylline C7H8N4O2 179.06 4.73 Thiamine monophosphate C12H17N4O4PS 343.06 11.41-11.71 Thymidine C10H14N2O5 241.08 6.47 Thymine C5H6N2O2 125.04 6.66-6.86 Thyrotropin-releasing hormone C16H22N6O4 361.16 8.36 TMP C10H15N2O8P 321.05 10.74-11.14 trans-1,2-Cyclohexanediol C6H12O2 115.08 3.14-3.64 trans-4-Hydroxy-L-proline C5H9NO3 130.05 11.44 trans-Aconitic acid C6H6O6 173.01 12.09-12.59 Trehalose C12H22O11 341.11 12.3 Trigonelline C7H7NO2 136.04 9.65 Trimethyllysine C9H20N2O2 187.15 15.1 UDP C9H14N2O12P2 402.99 12.88 UDP-GalNAc C17H27N3O17P2 606.07 12.13 UDP-glucose C15H24N2O17P2 565.05 12.66-13.26 UDP-N-acetylglucosamine C17H27N3O17P2 606.07 12.1 UMP C9H13N2O9P 323.03 12.23 Uracil C4H4N2O2 111.02 6.79-7.79 Uracil-5-carboxylate C5H4N2O4 155.01 8.60-9.70 Uric Acid C5H4N4O3 167.02 10.46-11.06 Uridine C9H12N2O6 243.06 8.39 Uridine 5'-diphosphogalactose C15H24N2O17P2 565.05 12.87 UTP C9H15N2O15P3 482.96 13.7 Xanthine C5H4N4O2 151.03 9.32 Xanthosine C10H12N4O6 283.07 9.69 XMP C10H13N4O9P 363.03 13.69