Metabolite_name RefMet_name blank end blank start pooled sample QC 1/10 dilution a pooled sample QC 1/10 dilution b pooled sample QC 1/3 dilution pooled sample QCa pooled sample QCb pooled sample QCc pooled sample QCd pooled sample Qce mouse CSF 19 mouse CSF 20 mouse CSF 21 mouse CSF 22 mouse CSF 27 mouse CSF 28 mouse CSF 29 mouse CSF 30 mouse CSF 11 mouse CSF 12 mouse CSF 13 mouse CSF 14 mouse CSF 4 mouse CSF 5 mouse CSF 6 mouse CSF 15 mouse CSF 16 mouse CSF 17 mouse CSF 18 mouse CSF 23 mouse CSF 24 mouse CSF 25 mouse CSF 26 mouse CSF 10 mouse CSF 7 mouse CSF 8 mouse CSF 9 mouse CSF 1 mouse CSF 2 mouse CSF 3 Factors - Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:female 24h Factor:female 24h Factor:female 24h Factor:female 24h Factor:female 48h Factor:female 48h Factor:female 48h Factor:female 48h Factor:female 4h Factor:female 4h Factor:female 4h Factor:female 4h Factor:female ctl Factor:female ctl Factor:female ctl Factor:male 24h Factor:male 24h Factor:male 24h Factor:male 24h Factor:male 48h Factor:male 48h Factor:male 48h Factor:male 48h Factor:male 4h Factor:male 4h Factor:male 4h Factor:male 4h Factor:male ctl Factor:male ctl Factor:male ctl 1-methylnicotinamide_unc 2_3-BPG_unc 2-aminoadipate alpha-Aminoadipic acid 1616040.1200 577143.3800 3463596.7200 4629999.5200 6273775.6200 9905149.9800 8771467.3800 12983164.3500 13876611.1500 12372329 12090552.3600 5268582.2600 5540102.7300 6839168.7200 4878489.5600 12650946.5500 11824588.0900 9295899.7700 13842885.1100 1330705.0400 6380522.7800 11616355.9900 10066903.9500 16226396.7500 9159269.3500 11734932.6300 7096557.8900 8964912.8000 11407874.2300 7856433.0200 6232095.8200 8266818.5500 7692438.5700 9677509.3600 8962192.5200 13304247.0800 7623654.6600 6422212.8000 2-aminobutyric_acid 2-Aminobutyric acid 2-hydroxybutyric_acid 2-Hydroxybutyric acid 2-hydroxyglutarate 2-Hydroxyglutaric acid 4643255 169053484.0100 261151657.5900 686735648.2900 957036034.3700 1068511275.6400 1234156988.3200 1210039888.6100 1458690949.0400 1484621873.4600 1037701357.8200 1248953101.4000 1244728190.8000 948492700.4300 984098674.7100 990017010.2000 1343559371.2200 1362686162.4100 1286922315.5700 1373523570.4300 867948747.3200 1243898936.6400 1245211555.2500 1261604497.0800 1263328461.7200 1204702011.7700 1025974245.2800 933921961.3800 1299163700.3300 1280054786.8800 1164931087.1700 1152900504.5900 774817363.3000 1301978897.4600 1276440098.1400 1050534698.2700 1290630841.1600 1042837744.0800 1103723562.0900 2-oxoadipate_unc Oxoadipic acid 2-oxobutyric_acid 3-Methyl pyruvic acid 3-hydroxybutyrate 3-Hydroxybutyric acid 4266121.0500 5938939.5700 17050664.9900 16882144.1800 13285035.7500 8552716.8300 13814389.3100 14214083.1800 9922960.4300 11768832.5900 16436253.0400 17089407.8600 15191527.5100 25517083.5400 16791200.3400 11696628.6200 9694437.9900 14871704.6000 15769781.1100 16539577.5800 15381081.3800 10097635.1000 12687917.5600 22300220.2300 18516051.7800 17555918.7800 12558407.1300 10583807.9400 10764771.5900 11106503.1300 14700389.7300 11533602.7800 13293645.3000 13420482.3600 17573324.6600 15897114.1600 18530279.4700 3-hydroxyisobutyric_acid_unc 3-methyl-2-oxobutyrate Ketoisovaleric acid 3-methyl-2-oxopentanoic_acid 3-Methyl-2-oxovaleric acid 3-phosphoglycerate 3-Phosphoglyceric acid 1544430.7200 1319047.1700 1779748.4600 1765843.2600 1722479.6600 2113376.5900 3526904.6100 2091994.4200 1868528.3700 1317332.5000 1313393.1900 1200225.7200 1981302.5800 1472487.0600 1235157.0900 1052554.0400 1121162.5900 1514604 1626289.6800 1679557.8700 3125548.2300 1940939.3900 1469288.6200 1500168.0500 1228762.7600 2136158.5000 1537858.7200 1405798.5300 1318897.2600 1511450.1700 1104615.3500 1799105.0500 1300316.9400 937101.8400 2621957.0500 3-ureidopropionate Ureidopropionic acid 5-hydroxyindole_3-acetate_unc 16061.6000 6-phosphogluconate 6-Phosphogluconic acid acetoacetate Acetoacetic acid acetylalanine N-Acetylalanine 51005.5500 272870.4600 93791.2900 112242.1500 acetylaspartate N-Acetylaspartic acid acetylcarnitine CAR 2:0 3892344.9900 6548919.0200 24426647.9400 27727371.2300 30389359.9900 52709193.5200 45353854.0100 65255607.7000 61310667.4300 70911713.8800 39577867.1800 47350107.8700 23183159.3700 33314755.8800 17783585.5600 43892721.3400 37013010.0400 35884802.7800 40275314.8000 12765224.6500 33653741.4000 31905522.5800 49298739.9300 111841208.9700 67538777.4900 28877897.1600 22150274.1600 35989030.5800 82989662.7800 31371205.4300 29808578.3500 26228709.5500 37331535.8400 23430571.0600 40968115.2100 29779154.2200 23345181.6000 93375467.3200 acetyl-CoA Acetyl-CoA acetylglutamate N-Acetylglutamic acid 1650331.2700 acetyl-glycine N-Acetylglycine acetylmethionine N-Acetylmethionine acetylserine O-Acetylserine 690271.1800 2254948.9800 3378968.8600 3260819.1200 4781288.1500 3561205.9800 4423566.3100 7186401.7600 4618546.6000 4788446.2900 4915463.6400 2880191.9000 2679259.1300 3152162.3900 3069288.5300 4137759.7900 4107777.0500 3994993.4700 3474591.6400 3746612.1900 3731023.4600 2471013.0100 3753610.0600 4631202.4800 3830271.6000 3385594.6400 4331630.7700 4218725.3500 3522551.1700 3613108.6800 4821113.6400 3226799.4000 3858560.3000 4788994.6400 4642205.4400 3041877.8200 3558209.8800 adenine Adenine 1195504.5400 2501063 4707016.4100 6795380.6400 24182369.4100 17356420.8600 17190934.9000 21998820.9700 19728780.1500 34229177.8100 35383196.9400 10422259.1000 29302783.5800 31844456.7200 14665491.6100 15146663.5600 12405431.5500 24180764.8600 18540427.9100 23620938.0100 28846238.0200 6520733.4500 29618881.7000 21490695.8400 18802595.1100 35658830.5900 32602742.7200 14472618.7700 13515116.3300 12839564.5900 33077449.3700 26173701.5000 19251220.0100 17443973.9900 23640766.0100 18687792.7700 23014267.7300 12061160.4800 28564317.0200 adenosine_unc Adenosine 8611275.9400 5021219.6600 51001226.6000 74633231.7600 181944107.1600 272207146.8400 289300496.3600 340964334.7500 282962844.3600 438123510.8700 436784707.4500 141148211.4300 450549706.4800 422780702.0100 257041453.8500 211148923.0700 256536580.6500 358089861.1900 399077215.7500 397170114.8100 470379970.5000 246464853.8300 388366494.1300 391342112.2600 213978066.5300 189192255.6500 328257060.5400 276729726.1000 280843259.5000 242563358.6000 315491224.3600 363085996.6300 328676516.4800 394851693.6800 353114420.6900 196868546.2200 311318864.9400 372218359.1800 227590864.2600 310028362.2700 ADP ADP 138729.5500 269451.6300 517506.4100 475471.3000 551752.3900 890503.1200 875487.0200 277844.9300 130762.4300 130295.5900 391706.1200 97703.5500 194095.8200 121241.8500 51676.3500 1226156.4500 1140744.1400 130694.5900 87871.6100 144931.8500 340471.8100 342334.4000 76745.3400 138358.3600 397835.2700 110132.8500 916002.1900 ADP-ribose_unc ADP-ribose 77473.4600 66029.9000 46979.8600 97360.9000 60243.1600 306273.8900 153197.2100 41551.3800 92286.2600 51938.4600 88070.1600 70817.7600 199013.0100 79428.9800 28641.8600 82858.1900 180622.4000 176628.3800 49700.9500 76631.2500 392926.6700 AICAR AICAR ALA_114 Alanine alanine Alanine 3921668.4400 6485694.0200 27666912.3000 42074756.0900 41049299.2000 54047207.7600 45964042.2100 73866656.0100 98626492.6800 57996827.1100 54335465.0400 74052460.1700 32216535.2300 34209660.4000 24243026.8000 42121618.6400 50954076.0600 46967785.2100 63294442.7100 31185891.8500 46956314.9400 50982671.0900 47634277.1200 88237151.0700 75106665.6500 31570503.5700 32756654.5500 38010713.6900 64341312.7800 36929395.2000 39986005.5900 45596437.2000 43649398.6900 38670622.2700 50507412.2000 44666573.7700 33410749.2000 74447150.2400 alanine_13C3-15N Alanine 558270.2500 610119.2400 3057821.0900 8488388.6800 7709603.4200 9383993.5700 7791754.0100 11170966.0200 10166338.2000 8848935.1600 8931711.4800 8988095.9000 7235001.0900 6816859.0700 6987296.7200 9461166.9900 9797212.9600 8541886.2700 9473704.5100 8677396.2100 7671965.8400 8549381.1000 8637328.1500 9587047.0500 8615191.6600 8057141.6600 7663036.4400 9321416.9100 10602965.0700 7670761.0200 7507336.0100 9412121.2200 7986191.7700 9556564.2500 8764059.0700 10311348.9400 7981519.1300 8672665.5200 allantoin Allantoin 27042.1700 57535.3600 394109.3900 567110.3200 610421.6300 645265.8000 550116.0300 812818.6200 211007.2700 327471.0600 459508.4100 130801.7600 221238.7700 164191.5800 307532.1900 670048.0200 334988.8400 275621.0200 569879.4800 751766.8800 798006.3100 98096.9600 899480.2600 998293.2000 678353.0800 829941.1300 259140.0100 155096.9000 315149.1200 423791.1400 650423.9200 622350.3800 810188.7500 775251.8400 273757.6900 277279.5700 1064219.6500 alpha-ketoglutarate 2-Oxoglutaric acid 25287829.8600 41410227.1200 68023673.8800 93134719.7500 82418019.4400 86632543.8200 84998984.8100 82230601.0900 96211818.1400 62520752.1600 73325769.9700 102107632.2300 83349948.4700 75573189.7400 93611294 103979889.4800 85653588.0800 85415535.4600 96269705.1300 57332796.5100 91542393.3900 73102273.8600 81157377.6400 100835965.3300 90351618.0900 75680314.0500 55983772.1300 103981090.1300 84088079.1500 80186557.9800 89855398.4000 52358147.8400 86819183.2300 86815327.8300 77282250.1300 75515252.9700 82637824.1100 92832825.7000 alpha-lipoic_acid_unc amidoadipate AMP AMP 113126.5700 308394.1100 403815.7200 610197.9500 586229.4900 524318.6100 273308.5100 1332778.0600 476820.6900 661971.3700 258130.3300 373794.9100 129814.1000 303551.0600 153988.9200 223140.2500 1404844.9400 508424.5400 294545.2000 554703.6100 851179.6000 1939039.2800 799852.4800 302622.0300 1087633.9800 anserine_unc Anserine 90000.0200 192865.5500 1249939.2300 2210410.5500 2775258.5600 3298670.3900 2691217.8000 4189675.8500 3033258.7600 7644063.7400 1885620.0400 2701546.4600 1533260.0900 1053093.5000 1519129.6000 1395589.6400 2058795.1900 1923643.4800 1682897.6800 1248484.3200 1719486.5200 2272652.5900 5252633.1400 10163404.1200 3517599.6000 1658836.2300 1848296.2400 1413978.5400 4081095.6900 1481738.2000 2024411.0600 2047709.9700 2014652.1500 2142449.6200 4527715.4100 2042322.0800 2285977.8400 8053170.3100 arginine Arginine 6029296.3000 4118662.2400 25459983.1000 56274804.0500 173594132.6000 199536572.7300 224031887.1200 291548478.6900 291505381.7900 316328534.0400 481955975.2700 199440189.8800 288374874.3000 272552072.1600 224795498.8500 153167358.9900 184339666.2100 358533527.7600 285889167 356120227.5400 308100579.3700 181600256.5700 307288804.5500 341165685.9700 241483334.1500 339468927.3700 360695580.3700 212804102.5900 187274838.5200 221751936.9900 335181244.4900 278446355.9000 234744339.2700 263373129.8500 281057643.0400 230930349.4800 289390310.2600 276343657.8100 176029982.0800 303223807.5800 arginine_13C6-15N4 Arginine 177.0100 38507.2200 13741809.2500 30856607.5600 97456917.5600 113051806.4400 127370815.4700 163893083.2400 165221700.0200 177861476.9100 174263242.1100 173795608.7200 180270732.3000 150953746.8600 109210100.4800 104840308.7400 113031587.9900 173923489.6500 185990777.3800 166176801.0600 166948476.8600 126307674.9200 161774168.7000 165863969.2800 165784878.2200 168360650.1800 155730041.9800 125667060.2100 119957206.3300 159095694.9400 177760008.0500 167336383.6000 161233312.2100 153711951.1500 172782552.5000 182591252.9300 165488459.1600 176656721.0900 116036280.2500 121164381.2500 argininosuccinate Argininosuccinic acid 273603.1600 448872.5300 2581199.4400 4350573.5100 4510663.0200 5463064.9400 4805178.8900 5979269.8700 7162521.3100 3723311.7800 3800886.6100 5002571.9600 3782942.9100 3050296.0100 3752946.5700 6201920.4800 5905329.8500 5358125.5200 5383271 4852960.3200 7005832.7000 7447591.1200 3883219.7300 5789943.7500 6056765.4300 4711871.7000 5314379.4600 4719570.7800 4867817.8700 3866522.3900 3997477.4400 4592334.6500 4956463.1200 4672267.1700 5394810.7500 5198177.8900 3974387.8700 6873433.8600 ascorbate Vitamin C 8340705683.6200 11287318134.2500 28174288785.8500 41898936634.8300 48311786428.8600 51531262921.2400 51624070907.2600 55386908129.4800 59653284970.0400 54405651662.7400 53502346705.3800 51173459170.3900 43252623819.4900 43872503049.9100 45489902444.4800 55743018658.9800 53526958368.4400 50138863082.9500 56494019724.8900 47485164454.4700 48861792723.2600 51461321732.8800 50887113560.9600 51988750373.2500 48953208162.8300 49108352390.6000 48696258795.9700 56299720334.2300 54845462906.8000 49750641443.1900 49310505265.3800 49635847375.8400 52289068747.4200 54432767883.7400 49375113233.8700 52885942911.1600 47766692835.1100 45414494991.9000 asparagine Asparagine 442190.8900 448168.5000 2786070.5100 9002339.5100 8704830.5100 9693249.2900 9227133.1200 11097501.8800 18213626.5600 9690741.8000 11701931.6500 16573710.2200 7532453.9400 9055835.9600 6634871.8100 7311406.1300 11141637.9600 10036632.3000 10139101.9800 8931227.0200 9205488.1300 9802483.4900 8645544.4100 11715660.6900 10068244.4800 7738420.6100 8701909.3600 7916629.3600 9986022.5500 6657624.4800 7611718.3100 10600448.2700 8637857.7900 9587443.0200 10706091.3800 11048774.0300 8998806.1900 13304046.0700 aspartate Aspartic acid 100572.6800 151626.1000 307197.5400 1062797.6300 875837.3700 951665.0500 1121867.0600 1318156.4100 5722419.8800 1311925 1347777.3800 1023162.5000 458407.8100 965114.3700 332539.2400 212964.0600 757589.1900 653101.4200 680057.9600 979075.0800 1542845.4700 777559.0400 872270.3600 732019.4000 1275846.6700 1259638.8700 437931.1100 446208.5700 276829.7400 1686246.2000 993848.0600 1023941.9700 2427101.4900 aspartate_13C4-15N Aspartic acid 679261.7300 808804.7800 1945521.4400 4586750 4839075.7900 5246616.7400 5201562.5800 5253667.5000 5270251.2600 5379708.9100 5113539.4000 4843175.1000 4501829.9500 4371895.8300 4655491.6400 5466119.1400 5376128.3700 4545584.9000 4996185.2000 5019434.8100 4790812.5600 5010933.8000 5487636.5500 4891194.8800 4926908.2200 4641997.1300 5091293.9000 5243390.7300 5359148.4300 5035083.9900 5073665.8400 5948619 5287960.5400 5206447.7700 5066491.1400 5121310.9400 4788580.5300 4660152.2200 assymetric_dimethylarginine 1340516.6200 796507.9500 978967.2500 703368.7700 727288.6700 958935.7300 39777.6000 622439.4800 581281.1500 64972.6000 287165.8900 1204123.7800 2931611.6300 ATP ATP beta-alanine beta-Alanine 931789.9300 betaine Betaine 18091070.7100 16315434.8800 36084172.1800 34836555.2300 40212300.9200 74949357.1800 62050494.5700 98683620.6600 466672884.7700 62251659.4900 51612456.9800 64694363.5100 41164575.1300 38491683.2900 25319361.4000 64295537.0700 67469993.4200 64244495.7900 80358172.2200 36474556.9600 57710726.4600 51516649.9700 60021326.3100 90630269.0500 75438542.2500 37816115.9900 24150449.3200 55702229.2800 102010767.8400 60687526.6800 55222427.1400 85414864.9900 59709403.0800 57740788.0300 40095891.3400 58996686.3800 31312302.2200 43412845.6400 biotin Biotin 303001.1200 346653.0700 butyryl_carnitine CAR 4:0 532079.6200 1438635.9000 2173276.5700 1933735.8900 2710737.5700 2998643.5300 4007292.8000 3380307.2200 2622560.7400 2179289.1900 3521077.8800 1337659.4400 2066448.1400 1387647.7500 3103106.8900 2103986.8800 2253517.4500 2613264.0700 1265105.2200 2245447.4600 2513237.8300 3065175.2800 6005818.5800 5456515.8500 1942802.6500 1639826.8200 1805670.3000 3703101.9400 1804211.2400 1569891.4600 1957710.9500 2210863.8100 1147887.4300 2777730 1805325.0100 1675449.4000 5059413.8700 C5_carnitines 860370.4600 1529945.8800 1053684.6500 1438295.3800 1374370.0600 1821166.5900 1933947.2200 1190169.8700 1357500.6100 1655362.3500 601342.9000 964078.3900 908531.1700 1195222.9300 1478737.5300 1171539.9400 1399066.3600 607424.6000 1045398.7100 1030932.4800 1114892.1300 2673057.4800 1920183.1700 1135751.2900 871981.9400 1154341.8500 1587757.7100 941540.5800 962528.8200 1073120.3500 842617.8500 1295042.5900 1380949.5400 3051882.9300 1870243.4700 2375667.1700 cAMP_unc 3',5' cyclic AMP 61816.2800 71039.8700 638104.9800 1074177.3000 1417475.2800 1557127.1200 1322351.6400 1585889.4000 1710973.4500 1531566.3700 3239622.3300 1545673.4500 1192194.7100 1027330.7900 1759965.7900 1485387.0800 2005444.8700 1537771.6200 829479.7100 1895339.6200 1227772.6600 1184266.9500 160225.4900 1851787.7400 567686.2700 820014.5200 690309.3500 1455508.4200 1744853.7600 1800191.5700 1685197.7000 2019217.4400 604699.9300 1473672.5600 1123174.8200 762033.9900 2348226.2000 carbamoyl_aspartate Carbamoylaspartate carnitine Carnitine 3238476.6900 1623684.0200 5639445.2200 12523910.9200 52953794.7200 55373904.1800 58534101.9100 84110667.6300 79224116.6200 150183555.8700 151807410.2300 80334070.2400 74439431.6900 100520490.4000 49739355.7100 59989763.8700 33526875 84781845.9400 77427108.0400 69898664.3300 83212998.4800 29424371.4000 66845109.4300 60995057.6000 73509605.6500 183504904.3300 135960689.8300 57186632.1700 39773379.6000 78941305.6400 148058463.9600 65471801.6500 59360096.7100 60534613.6300 59763050.2000 57315663.3200 70225469.3000 56469798.5100 40752368.5600 119388485.0800 carnosine Carnosine 1384493.4100 2473244.4600 12995893.8600 22512126.6800 28919839.0100 33813775.2300 30697422.0900 36684752.3200 33934751.8100 24973996.7800 29875194.3600 37791605.9100 23973984.8600 19904676.3700 25068262.8600 29519527.6900 27102288.3400 29603247.8700 31484201.7300 18797070.5400 25798483.2800 30757040.3600 23834945.8000 41440485.7300 56871365.3800 24926719.6400 24392309.9600 26195680.8700 37486000.8600 32167345.0600 33625844.4000 26063285 31265056.1100 22217041.6900 34763362.7900 42055281.2000 25705643.3100 34862790.5400 CDP CDP CDP-choline CDP-choline choline Choline cis-aconitate cis-Aconitic acid 941838.6400 3207498.3400 9836904.4900 29535382.8300 28982335.5000 32532425.0300 37467775.4100 34957349.5200 52979384.6600 59887701.2900 36689710.8600 41976079.1800 38021195.8500 24122951.6800 28114405.4900 28251461.6700 36308440.2200 47795903.1200 43869318.1700 44874341.5400 28320921.7600 41808000.1400 41729847.4100 37828802.2500 46105065.6200 45573858.4800 26956014.2100 29707364.9300 37140693.6200 40182440.8500 35167069 39147462.1000 34218826.6300 38212204.8500 45401970.7800 41538427.0100 46361836.6000 30366457.9200 32662721.2600 citrate Citric acid 21310369.1200 12121273.7700 31747257.9600 67252423.3700 78850220.9700 99462959.5900 88842517.6800 121069973.6300 161428290.3500 108913358.8600 107036746.5700 104987872.5800 33425771.8700 39070876.2800 51022965.2900 74423076.9800 91553926.2000 57407329.3500 101475782.4200 64480983.2900 116837185.1300 89781440.4900 63860884.0800 139106824.9600 143209151.7900 66955400.5900 96228210.5400 87712831.0900 84143308.2700 79358048 93997910.0800 83920429.6400 77693638.6900 138343207.3400 104424029.5500 108800546.3400 51896769.4400 70071584.2300 citrulline Citrulline 1561620 2549405.4900 12418430.3400 23348199.4900 25450720.6800 32174413.3600 27388147.2100 41354311.2000 154232013.5800 24223772 23725616.4600 43324609.5200 27001728.5300 15032363.1800 27113848.2800 29697197.5300 37966074.4200 44506030.0100 34037417.2800 30560080.5300 33801645.0200 31928145.5700 26275834.6800 39977281.9200 27067603.4100 19025369.3700 19319918.1500 23549444.0100 26843903.9600 24807566.4500 24082382.2900 28674827.8600 34152454.7500 37784690.0200 25977616.7000 31485258.6100 21900079.6100 32838749.4100 CMP CMP Coenzyme-A Coenzyme A creatine Creatine 16691335.0500 7055107.5600 123012060.2400 219669935.4000 969667809.4400 1133244797.5400 1218481433.2000 1632493868.1400 1374418623.7900 2238773785.9400 2333569834.0800 1911871208.7000 1514647783.3100 2096044184.3400 843119063.1300 944651342.9900 631106064.3100 1186009044.5100 1438500786.8800 1221221799.7100 1728193789.1500 743072960.4000 1214300091.8100 1169787496.4800 1589956267.6600 3099328082.9600 2474900204.3200 985409623.4300 936872636.4100 1119641532 1987526992.1000 1071643655.2800 1179499528.6000 1264183106.0300 1363677120.1900 1178633424.1300 1540920601.4500 1151617259.2700 993298799.5500 2967275391.0300 creatinine Creatinine 3789132.1100 6072792.0200 21219684.5100 24747322.7800 27753776.3400 32196760.6600 27505243.6600 43507003.0200 43956115.5700 33381954.7700 40859257.4000 45100825.0100 27028947.4000 16132197.2300 19707136.5400 19680806.3700 29753221.1600 41857557.8500 29592555.3100 23718476.6400 44972096.7900 40556055.4500 31017542.8200 28784685.4900 44342248.7400 21540925.5600 18176675.1500 22432447.8700 42881584.4300 18758616.6700 22800837.1200 40981977.2300 41697384.4700 38646571.5700 30629128.3300 27233708.1500 16763892.4500 14901124.8900 CTP CTP cystathionine Cystathionine 206978.1200 541227.7300 257541.2800 cysteic_acid Cysteic acid cysteine_13C3_15N1 Cysteine cysteine-glycine Cys-Gly cysteine_unc Cysteine cystine Cystine 378544.9200 306830.1500 255370.0900 190444.7300 96337.4100 462270.6000 202369.2200 285372.1200 502395.5700 324714.7900 380756.7200 233864.2500 258711.3800 184762.5500 243163.1800 48162.7100 213839.2400 36150.4500 84439.2300 555885.5100 577880.7900 476634.0800 401048.1400 396263.3500 429089.5400 254232.1100 251099.6300 239594.0700 132604.5700 253880.8200 343878.9200 364675.5400 260109.9000 432658.0200 cytidine Cytidine 272784.0900 381491.1000 983178.2700 2474976.6100 2671257.1700 2934869.2900 3105262.2600 2952255.4000 3715813.4500 1803184.8600 3961259.9800 4083867.9600 2653917.6600 2825915.1200 1958712.7600 2803921.0600 2524255.3000 3206137.2000 2915561.5100 2269848.5200 2551493.9700 3294023.2200 2562564.8300 3137521.4000 4460903.6800 2956975.3700 3009644.8800 2208062.7000 2866385.0700 2730616.5400 2391722.3900 3146243.4100 3043898.0300 1550697.1200 3271006.7700 2578887.7200 2265804.6600 4598546.4500 cytosine_unc Cytosine 8725226.0700 6285281.3100 578324.0800 2274977.3300 3766391.3500 3693518.0300 4019297.6700 3403052.0800 5376270.7900 4847699.4200 2189176.7300 4460888.5100 3434282.8100 2466689.1800 2598039.5900 2142396.6100 3769308.6200 4691886.8300 4196106.7300 5046478.1600 2115443.4800 4415216.4300 4218242.9700 3140884.8000 5197566.6700 4582016.1000 3132199.9700 3031415.4000 2733457.9100 3785254.0600 2882716.4500 2968915.9800 3362549.5300 4607925.4200 4076847.1900 3832055.6000 4543405.7900 3008458.8000 6329660.9700 dATP dATP dCTP_unc dCytidine Deoxycytidine 1924418.2700 430407.3700 533771.0600 715739.7800 556961.5000 755627.6700 1140450.9000 244645.4700 534893.7700 687629.0600 582774.7600 399136.1400 322463.4100 471280.9500 610627.3900 784773.9200 797340.1900 687545.5800 723019.6800 816815.5300 462150.5900 790614.9000 649978.4300 382636.2600 433640.5000 442804.9900 556845.5300 502816.6500 351889.3300 666265.1900 748287.3500 614176.1100 683192.4200 782917.2600 656267.6900 999708.8600 dihydrofolate_unc dihydroorotate_unc 4,5-Dihydroorotic acid dihydroxyacetone_phosphate Dihydroxyacetone phosphate 358904.5800 430949.3700 521624.8500 358224.7700 305568.1500 239902.5200 151245.3300 534967.6300 320012.6100 368679.5400 360117.2800 422641.0500 414653.4800 608151.6000 441836.0100 327661.4900 241922.9700 560585.9600 661996.2000 487037.2700 235930.3400 265285.2300 480497.6900 320271.5000 566708.9300 674492 448237.5100 397096.0200 315525.0600 417213.5300 752140.7900 941491.1000 612593.1400 445967.2800 dimethylglicine Dimethylglycine dTMP dTMP dTTP dTTP 2801867.4500 2441152.7000 3659267.1300 3668975.8900 3877133.1000 3760533.4200 3853661.3500 3523767.3600 3454396.1400 4339726.7700 3956663.3800 4075338.9000 3749215.6400 3752164.3100 4102084.7600 3787104.3900 3804696.8700 3958728.9800 4072570.7600 3634848.5700 3743183.6900 3842097.0900 4023282.8300 3796675.4100 3765080.4700 3680028.0100 3688320.1600 3985139.4300 3626095.3900 3943114.3200 4255350.3100 3641418.8800 4392443.6900 4480762.3400 3459990.0500 4032490.4700 3682936.8700 3137543.5100 dUMP_unc erythrose_4-phosphate_unc 624663.3200 697273.7500 829777.7700 48072.0400 56357.3100 821811.3300 44015.9300 662406.7600 F6P_G1P_unc 694158.9000 583636.2000 906982.0900 942068.1000 814893.1200 602341.5800 3205874.0800 588984.1200 789093.2000 625553.5900 468990.3300 579615.6900 687078.5500 660981.1500 462634.8500 457328.0300 483629.9200 511408.4500 670699.5600 1091882.0600 1048695.5600 793401.5700 896441.9800 549352.8000 541034.4500 1178749.0500 387775.5500 418325.7300 756567.1300 474987.7700 337564.7300 1343595.7800 555336.6100 401829.9200 824009 FAD FAD folate_unc folic_acid Folic acid formyl_methionine N-Formylmethionine fructose_1_6-bisphosphate Fructose 1,6-bisphosphate fumaric_acid Fumaric acid GABA gamma-Aminobutyric acid gamma-glutamyl-alanine gamma-Glutamylalanine GAR GAR 5614.6900 GDP GDP 33610.9100 30994.6500 15888.5300 11931.1700 glucose Glucose 2942260.4300 2688175.0100 7617427.0600 13620094.1100 13937655.5800 13230130.1400 13811582.4200 15097388.1500 14775277.3100 13809825.2900 12554842.9200 9211884.1300 12565872.9100 11448736.8100 15217043.6300 12163745.9300 13261185.2100 12195702.4900 13752499.6800 15399875.5900 14445083.6700 13461522.9500 8664764.0300 14203306.5500 13106601.1100 16900532.8400 17469114.4400 22209516.9000 14577292.4900 13744174.2100 15838251.6500 17361103.4100 12952173.1700 18717594.7500 18231403.5700 19267576.7500 14170660.4600 13361515.7600 glucose_6-phosphate Glucose 6-phosphate 291224.7100 1371624.4000 1444950.0300 1609871.6900 1675981.3100 1480867.4000 1466220.9200 5857374.0800 1323880.5700 1559512.6300 1190455.5500 1194901.7400 956751.3500 1321003.6800 1465605.3100 911487.3600 1086292.5900 1036187.1200 985180.1100 1049688.7100 2097445.0400 1894439.0100 1450000 1620600.0500 1120034.4000 1173248.9600 2184559.8500 1011396.4900 915268.9500 1285600.3700 840907.8600 847577.0700 2677002.8800 1280752.9500 930527.8300 2081491.2000 glutamate Glutamic acid 2077614.8800 2046524.5800 570658.5000 664990.0700 1056955.3900 2308959.9800 2653736.8300 4052028.7700 4202539.9200 4410715.9700 11266644.4300 3633685.6100 2187904.6100 2279453.1700 1361161.0500 3456120.9000 784189.6700 2143869.9900 2099503.6300 1105369.6700 2154352.1800 1160577.5000 897907.5900 1159719.2300 3267967.7500 4570355.1100 4740672.8500 2229039.5200 2144362.5900 2273172.1600 4213937.8800 1094481.4000 1238938.7100 1714678.6800 784088.6000 1942288.0600 3148503.3300 1299247.0300 2008651.8100 6496902.1500 glutamate_13C5-15N Glutamic acid 13470.4000 826770.0200 911115.4500 2453222.7200 6008659.9000 6234404 6455149.8200 6646808.6500 6816495.5100 7131639.3900 6857335.1000 6254863.9400 6161791.3200 5660672.8800 5896523.9800 6128258.5300 7269387.2700 6669479.0600 6413303.4100 6693377.3700 5956532.7700 5986061.5400 6366211.0800 6560218.5500 6307542.6900 6130277.1900 6633244.9100 6196630.0700 7032608.6300 7034250.9700 6923136.4600 6453756.7200 7210512.9900 6755370.5200 6554716.1300 6575720.7200 6169412.6600 5819724.6400 5992328.0600 glutamine Glutamine 1271532.0100 1586220.6400 350008835.8500 460082577.9000 1994418592.1300 2899511144.3100 3112109502.4200 3722364095.4200 3282063406.9500 4519102988.1100 4818401851.3200 2913756680.4500 3867812540.5800 4032992031.4100 2974124823.7100 2891521266.1900 2888918617.2500 3738013790.7700 4075290960.3200 3824359141.4200 4357547550.6800 2933566007.7700 3509502620.3100 3201423471.5300 2508011258.7500 4024892822.9200 4151407383.7500 2514285768.2900 2877967621.0200 4170150496.4800 4184966085.3800 3544469489 3415822008.2900 4014716052.2700 3362787716.7800 4120222656.1800 3244419775.0300 3743801298.0600 2533815525.2900 3092209737.2300 glyceraldehyde_3-phosphate Glyceraldehyde 3-phosphate 144581.9800 14778.8900 21523.4000 38814.1100 16961.3800 glycerate Glyceric acid 1012823.0100 3611868.1200 4246401.6700 11052960.3700 25034086.9500 29947169.0800 29207674.1000 30821402.8900 32748549.1800 35740247.0200 32045057.1100 30318551.2800 34621022.4400 23644933.2700 26527184.3500 27230007.8900 31091917.8400 31121537.2100 27604707.5500 31945182.7300 30371899.1200 27338417.8000 31158534.3800 28264356.4200 27599593.1800 29092797.2400 30213714.4300 37419189.7200 33113970.4300 29419161.7400 27300927.0400 27895802.3400 37748437.7600 29382962.3500 29775101.5100 30510581.9600 31707873.5800 27471816.1200 29346365.5300 glycerol_3-phosphate sn-Glycero-3-phosphate 46108.1400 378739.9700 1093067.2700 1171720.0600 1354653.0400 1409270.5600 1413572.0400 1487890.0500 1236837.0400 1346722.2100 1519576.1800 920884.7900 1098570.1400 725527.8800 1414196.4600 1320760.5600 1125398.9800 1350144.0900 769581.3900 1043792.9600 1260083.5200 1262105.5500 1860017.8200 1808605.7700 1358259.9100 1133636.7400 854967 1595034.1900 1146982.5400 1062051.5300 1356253.9800 1367319.1800 786940.3700 1374355.2700 1401351.8600 970792.9900 2154664.3100 glycerophosphocholine sn-Glycero-3-phosphocholine 4218493.4000 2578236.2200 3919382.6700 6803326.4600 29785560.1700 39940046.8100 43860778.5500 60962541.9400 50626699.9400 77677144.8200 106641468.4400 55818021.7500 49415571.4600 39940093.8300 29530161.1200 66326370.3400 19973250.6400 41326021.2000 65477698.7500 34959008.8400 50546016.6000 20517806.9600 24199742.5200 40257846.9400 71896449.5300 136614337.6800 29417557.2500 48446256.9300 32914757.1300 52167424.6100 115035373.6500 23965654.1300 31039884.2800 29084248.0400 28432235.3600 31805857.8300 80381316.5800 43980029.4700 38185687.8500 113612044.9200 glycine Glycine 411547.9600 374160.0200 362012.9900 1489596.1000 505535.6700 527508.7900 722820.5300 207270.8800 279609.7700 358391.2100 535895.1200 477630.8200 427430.5500 408207.0900 606617.4000 glycine_13C2-15N Glycine 89571.8200 480537.6200 374810.8200 343356.7100 359178.2100 423221.0200 435428.9800 381545.4500 444799.0700 480256.8900 312906.0100 325250.7100 349868.9100 507824.3300 383113.9100 391478.9500 440836.7100 357730.7600 376285.7100 442653.8900 388877.0500 400918.0400 344908.5200 386630.9800 356019.7800 409325.6700 409437.0800 423303.5700 386299.6100 418253.1500 309791.6000 419260.1800 351224.0200 430202.0100 342934.0700 313045.5300 GMP GMP 49669.7800 141282.4100 GSH Glutathione GSH-13C2_15N Glutathione GSH_13C2-15N-Ellmans Glutathione 103291.2800 172267.5200 1410957.6700 3810678.9300 4407629.7700 5821151.6900 5418725.8000 7576585.5200 7038283.0400 5992923.2900 5515139.5900 5692412.6300 3646814.0800 3661919.0200 3949452.7000 6024154.4600 6112899.5600 5304345.6300 6172220.0300 3998821.0300 5475437.6100 5266590.3700 5548274.8300 5707444.2800 5528994.7700 4106418.7200 4257978.8700 6321355.2000 6293942.0100 5478945.7900 5255522.0400 5502527.3800 5902142.0800 5384037.8900 4354267.4500 5927116.4900 3981373.9800 4237752.9900 GSH_Ellmans Glutathione 4076.7000 161777.6600 559521.9800 584496.5000 887004.9800 913451.5800 1223321.9000 977202.2200 509859 531350.6500 750779.6800 472075.8700 745362.9200 437546.3200 826704.1000 1040632.7900 784422.1800 1341816.8800 766356.2500 816064.2100 1001918.9300 1285693.8900 640235.9100 385274.0600 405583.5100 417157.9000 611876.3000 835772.6400 660975.6400 754611.0200 908873.1400 845986.1700 1006455.8200 860098.6900 894022.6300 542950.4400 1061779.4100 GSSG Oxidized glutathione 32218.2500 344986.5700 741385.9700 883598.4500 1147026.4100 1206995.2300 1144375.5000 971941.3000 2157041.8600 1961350.5900 858426.8100 413662.6000 767569.3700 536593.0900 664119.9000 622441.4300 476162.9800 314596.0600 160054.1500 36438.1800 309477.6900 4696610.1200 1703250.0300 2086535.2100 1772183.7000 1628884.8200 2037861.8600 612405.7500 340791.1300 441675.6300 525622.8600 512303.7600 1460600.9000 499347.4200 323427.9500 790869.3800 GTP GTP guanidinoacetate Guanidoacetic acid 63740.8600 109609.2700 673229.5900 781775.7000 993577.5900 1193337.5100 1078360.8500 1703024.0700 2646593.1700 1021964.0300 625463.6100 770918.0700 420972.1800 812309.3200 393676.3200 1206385.6400 1255369.9300 940064.2400 1033897.4500 393831.0100 800986.8200 1170472.5900 1659884.4300 3176301.5800 949906.1600 1161794.1200 670230.8900 828368.2500 1711727.6700 511864.9900 470121.1000 950733.0500 458666.4300 697658.5900 1061444.5200 864267.7500 1090687.9400 2313545.7600 guanine_unc 2810887.9700 1594644.2600 2278870.3700 7926053.0300 12748983.9700 14148375.2500 17226233.9400 15853116.9100 21545814.0700 26994851.6000 4273406.9300 8409354.3800 32805318.1100 9617734.0900 7865229.6700 5423567.1500 5074997.9100 16415283.3100 20183480.1400 33914185.3900 13643746.7300 30897939.0400 31255960.6300 25983855.3000 15026341.5100 15681964.6700 10627756.8800 7410933.5300 6278908.6700 9206749.7200 19243341.4400 18681516.3200 24431943.4500 23207076.5900 8382085.5700 9809281.6000 16293098.2800 12969950.5500 28458978.7800 guanosine Guanosine 629575.0300 706100.8100 697839.8800 1009828.1600 4040187.2200 10888357.5400 11863674.0900 14042091.3400 12469132.6100 17938973.0800 20286899.7100 6736479.4000 18652849.5000 19894830.0900 13350393.6000 12491933.0100 7378315.8300 16375983.5200 10456338.4000 15972485.9000 16524108.9000 5901481.1400 17007868.1400 15561950.2300 11524696.3500 18614131.3100 22652351.9500 11783881.0500 12706436.3200 7713828.8100 18530456.5000 13543410.3300 12132734.2300 12303878.4000 12273160.8300 5073137.5700 12330369.0600 13664972.2400 10637058.4800 23108790.4100 histidine Histidine 16757012.2300 25535339.6000 115642800.2400 147273041.6800 165524860.2500 200544864.1900 176361509.7600 248899066.8300 312761910.8300 163345545.1900 178448552.7800 224109327.7200 144216959.0100 133644598.5300 139554827.1700 181423849.2300 208325206.8400 212279570.7900 250595244.9800 139389724.8500 168142873.1500 169619192.9600 119188947.8500 237802293.4900 205045228.4600 135272014.4000 155323579.8700 196926910.4300 230588778 187521136.1800 174565467.3800 237916206.5800 209638014.5700 233425872.7200 193674494.6300 239896057.0100 134686878.9100 173620986.8600 histidine_13C6-15N3 Histidine 7819.8400 3030.4100 20182910.7600 32879989.2800 148171367.7800 189890831.2900 211736082.8100 263976955.2600 226310952.6100 316098437.4500 316591105.8500 266486748.8100 251550331.1900 225672200.7700 177852690.5300 173979836.2500 189555269.2300 254140899.2300 275740459.8000 240714653.8000 277074031.4400 208530646.2700 248084232.3000 231936495.9000 213469545.5000 265417841.9100 212402669.1500 203606371.1700 209723899.5900 296864772.5400 282765113.1400 232839888.8000 248882741.1100 295749649.2200 252757821.9000 289510089.6300 239306857.9800 273621249.3300 187536114.4300 198766376.1700 homocitrulline Homocitrulline 439341.5200 408007.9200 518484.7700 399740.6500 320693.1300 598843.6400 493745.9300 390951.2600 259407.2300 301273.8200 444292.3700 484133.4200 502859.3400 288787.1700 448116.3400 1625947.8300 992491.5200 890069.9400 842269.9500 833713.4900 719373.9500 462574.2400 776920.8800 827438.3800 1105894.2800 866942.3300 559172.3600 380562.6400 510561.1200 homocysteine Homocysteine hydroxyproline_gammaALA 1278493.5500 859805.5000 2049152.4100 9538935.0600 7988711.2300 7651116.1600 7150887.8700 5487267.3800 7699992.0800 1212007.9400 8199234.1100 5069467.9300 5323119.2800 7769547.0800 5288008.9100 8077512.4800 7104231.8800 10559243.6900 790679.5500 7584393.0200 8691424.5800 8013191.5200 5431914.4500 3881387.8900 4578587.0400 10316268.2400 10261983.0800 9710070.8800 8647025.3500 7786816.2500 6501412.5000 15435052.7900 14120512.0800 11228022.6800 8838672.5800 14735399.4800 11852470.6100 2330270.1400 hypotaurine Hypotaurine 111461.5400 269253.7900 641317.7400 639799.3600 335218.7600 440184.8600 1041241.0700 223027.8700 293517.0500 151773.6100 184029.9100 653586.8100 2956616.3900 563731.9900 919393.7300 193223.5100 287704.4100 1588880.7800 128162.3200 710712.7900 182903.0400 745411.8600 4082619.2600 hypoxanthine Hypoxanthine 1315253.6900 1388542.7600 56079143.5800 79382849.0800 252549434.3900 397426727.0100 433133364.9000 508318151.7400 413876668.8200 534308148.5500 593120146.3100 172990526.4800 618887734.5700 807828238.7700 439232364.8400 494289293.3100 250487992.1300 561243039.9100 336315697.3600 501296720 569044743.7300 168221647.9800 501920873.1400 474727198.8800 400913528.1900 660024178.5800 841118940.4100 363823369.1400 396847797.1100 232114669.6100 709142848.7400 478070936.2100 365661369.6200 378253038.6800 445585746.8800 132786274.2300 415922256.6800 390968087.5100 306547245.9000 691133835.2600 IMP IMP 154876.1400 549219.5500 562787.2400 519069.0100 652742.5500 615816.7700 79817.5000 3276887.9800 157737.7100 278648.2100 203885.1400 269550.1800 171242.2200 83248.4500 141011.7300 60637.0900 177628.4700 1174879.6800 3040604.2000 267255.4400 223379.9400 36782.5900 1096520.6700 347031.4500 140480.9000 145827.8700 1131606.3700 54967.9200 714089.6300 4764767.3800 indolelactate Indolelactic acid inosine Inosine 6274474.1600 9366902.8400 31835261.1400 61335344.2700 67764150.9000 81832736.4300 71327050.0200 93029017.1600 87207669.2200 50791624.4500 105108299.9500 103928352.3100 69095939.3400 72799507.1800 37048559.8100 92496061.3100 56098666.8700 78439450.4200 78349537.9400 23359366.1400 77373371.6900 69790436.2600 58614817.4900 140614619.8400 124615761.3700 62818373.5900 79133287 48771523.0100 121599071.2400 75204269.0200 59533978.1500 56145295.2900 66854672.3900 20485615.4800 76559534.2000 67210691.1900 51074085.8400 121982227.7200 isoleucine Isoleucine 2874338.6500 1552317.1700 7483624.3300 18175025.2200 16517052.7700 22162643.7900 12917646.6100 30137092.4600 54518930.0300 13437689.2800 16342932.9000 27456260.4700 15900464.9000 17036847.1400 15586985.7900 21310122.9100 22920667.8100 24712272.8900 24268405.6000 12638826.7800 21390025.4500 19374018.4600 15409019.5400 28269169.4300 32272460.2100 17372065.3500 17306265.3100 13909519.0800 22850033.7900 14729741.0900 13992138.4600 13742913.9100 18588257.5300 19570248.6800 17037818.2600 25066696.2000 16546354.8200 27747150.4700 isoleucine_13C6-15N Isoleucine 9040234.3800 9353905.4400 46873147.8700 115348690.5900 105969798.9200 133228256.2500 96366656.7600 207433674.6500 163313585.3100 114178774.8600 135555660.1000 149127529.8200 105514867.0400 106380351.1000 124662679.4700 160222399.0200 187927412.1800 153004275.9000 167849331.5400 106201119.4900 124298593.9500 137194960.8300 128469637.5800 156177483.8200 132616494.5000 109949286.5600 116809165.3900 111567852.1500 163969387.2200 121173285.9300 110799692.4200 100980594.1700 136555233.0500 144685497.6800 106828394.7600 167998967.1800 108988120.0800 124567513.2700 itaconic_acid Itaconic acid 111931983.4000 180715096.8000 473977008.0900 587229835.0400 694009094.6200 812213869.9600 830254984.8400 984831954.9000 992899891.5200 645239928.3800 835617661.0500 821158095.3300 639476802.9100 662118066.3800 691999509.0200 943746011.7400 907459266.5100 872305118.2300 945374605.0700 562058835.4800 822200832.0600 836685394.3300 854096443.5000 813081220.8300 807773337.8200 718973768.8800 651489601.3600 873116683.5400 838254136.7000 767529211.5500 776093963.1100 444842807.7400 873766761.5000 837310304.0200 694383257.6500 873465253.1500 712990110.6500 737840110.2900 kynurenic_acid_unc kynurenine Kynurenine lactate Lactic acid 265001833.6300 298137075.9200 767900048.8700 1846455024 2054563416.2100 2103503027.7400 2005171000.1300 2057974764.1000 2270198079.6000 1233070406.9900 2337382842.5300 2961298794.8400 2079602462.9600 2266912563.3800 1591286935.9500 2075002046.0200 1619864744.7000 1841579587.1500 1982583291.7000 1405071100.7200 2072678780.9000 2270135766.8100 1533239659.9200 2516634270.4900 3500328070.4500 1914411844.9900 2181474935.1100 1697131916 2716266986.5200 2158707794.0300 1800549978.8300 2182533396.8700 1999314946.5000 1089410744.4500 2303365033.3800 2056510295.5200 1816417490.4400 3022422935.6500 leucine Leucine 3690696.8500 3479716.3100 13840403.1900 36672653.9200 31574856.3500 37711629.9600 27396971.0400 54057786.4300 90921052.2000 21383977.5700 35528331.5100 55006281.2700 32973254.5200 30961641.3100 32663251.2900 41979248.0900 49707268.4300 43044889.4500 58066349.1200 24514634.4500 38581563.8100 40250088.5900 24685380.1200 50088066.2200 55599465.9100 30021345.3000 29039593.9700 33847702.6300 43283781.3800 25820569.9100 22106952.7200 36932628.7700 35648819.2400 29443430.6800 33826326.8500 53621999.3000 30633136.8400 51964031.2600 leucine_13C6-15N Leucine 8184263.2900 10345280.5600 45403074.5800 109792803.0800 95008044.8400 121281783.8900 84516148.7600 182338543.2300 134324042.0700 97305605.0800 116534713.8400 122566781.3300 96746217.6700 92367537.5600 118306733.8700 130641056.5800 148291789.1000 145431420.6500 172384503.1700 101594076.8600 123410644.6800 126572064.2200 105909445.8300 132230705.2000 114350445.8800 107403180.7200 100260184.7200 107502448.3300 136469408.1900 101796441.1200 91431053.5900 91517227.3100 122053196.2100 111248973.9600 93202378.4600 138693956.5800 96005279.5700 118199407.4100 lysine Lysine 988689.1800 9441777.0400 16290090.0800 53160112.9400 91317114.1300 105080551.0500 117827495.9800 118512393.3400 127889603.2400 190105603.9200 84187630.9400 171930058.0800 146522946.5900 94884819.0200 93094932.6900 76878231.5800 124242967.4500 127512582.6700 138919763.9000 117089900.1900 89316641.9400 110181754.7100 132009526.2200 84551927.5800 130797963.0100 137476462.8800 94967024.3800 82758148.8100 106102151.2600 137491772.5500 102989597.9500 95126235.4700 114603975.0100 99193185.6300 86479616.2100 114288970.7600 113687059.8700 77778502.5700 145637981.5000 lysine_13C6-15N2 Lysine 19742.8700 1657144.9000 2703801.1300 9429288.2300 16634422.6400 19312430.5600 22045872.3400 21754773.9200 23771939.9800 23935516.1900 21964670.1100 22801512.3100 19441968.2100 16844744.3900 16044311.9800 16790667 24341760.6500 21968079.6900 21405405.3600 21903794.1200 19379393.2200 20434705.5900 23293281.4200 21206415.8200 21558692.4200 19838146.3300 18980002.7700 18320630.3800 22735094.4900 23433358.3600 21538201.2400 20232378.6700 19866475.3900 21830541.8800 24027182.4900 21624007.1100 24477185.3200 17552626.9400 19636014.7800 malate Malic acid 1168219.0200 6127809.7400 6337125.9800 6666595.3400 9805375.0500 9016015.7800 9967784.0600 13513204 11333760.4900 7403124.1900 12550443.0700 4414004.9300 4912688.5900 4653026.4900 6814551.8800 7746076.9200 6495131.1700 7611435.8200 5834658.0800 7720944.7300 7718234.7000 10179792.1900 14898646.2300 17286947.2300 5763972.5400 5668021.8300 6019370.7100 10732590.5200 7494030.3600 6918034.3000 12902271.6700 6538808.8600 7138178.6400 7921065.7500 6899825.4700 6060393.8200 10410618.3800 mannose Mannose methionine Methionine 6376121.9900 7940142.3200 36210424.8600 76494257.2100 70060851.0200 89824018.0100 66918329.3800 134860914.7300 170483141.0800 61111767.3500 95140485.2900 135412628.9100 74481291.4300 67397814.8400 72406487.1400 94386426.1600 116244283.9700 119292130.5400 120888716.7000 70709233.2800 84133466.5500 91547529.9400 57140625.5100 121460356.1100 110143172.9800 55778825.3800 76182921.6800 70152280.1300 111699903.4700 85374893.6300 77645497.2500 73400662.7200 68715936.3200 100335407.2400 72246507.8600 92512268.5000 53870241.4200 84953226.6100 methionine_13C6-15N Methionine 10595234.2900 129202740.9500 566486.4000 19184.4600 260623.1100 5982706.2900 34367448.4100 71752458.6100 2618452.8000 129236.3900 16305524.9200 115568575.8000 methionine-sulfoxide Methionine sulfoxide 89606.9900 388416.4400 1971203.2800 3206852.9400 3692115.0500 4933848.1400 4130546.3900 7853779.7000 25399435.8200 2976108.3300 4348745.2000 4630067 2413585.9600 3089421.0500 2847958.7300 4789230.8200 4115070.6300 4326779.8000 5261789.6000 4662543.2300 3983386.0100 4212868.9600 2971525.7200 7100304.3100 6035523.6200 3203096.9800 4254710.0600 4218745.2500 4979497.2500 3397084.9700 3636089.0700 5230535.1800 2745797.5200 4154437.3200 2975555.8900 4146254.2800 2334513.8500 3435042.3000 methylthioadenosine Methylthioadenosine 586247.4300 229528.2600 214492.0800 156738 402202.0200 753575.9500 105330 81438.9600 26754.0800 35327.9300 87300.6300 334359.7700 82602.4900 153534.4100 87796.6700 myo-inositol Myo-inositol 317725.6300 6030138 6096040.6700 15338764.3700 29512369.9300 32296575.9600 34484629.1700 35647039.5700 41262079.2700 44083292.3200 24394502.4000 38489369.1800 41579779.5200 23834311.1200 27347233.9500 21275630.0100 31737718.2600 34532910.2000 32489049.4000 39692414.5500 37131120.9300 35804008.6100 35802578.3500 25357184.3600 46993054.1600 48213203.1300 39373409.0500 40799061.5800 23386578.6200 33038435.1500 30767986.2100 24173003.1500 41101868.9700 33189944.5600 34375226.3500 39370034.1900 33151231.1500 27413446.5000 44519840.2800 N2-acetyllysine N(2)-Acetyllysine 401065.9300 1655590.1600 2494135.8500 2938929.2600 4079274.8200 3301879.9800 5259018.4500 10296711.3900 3529305.8400 5420543.5400 5634009.0500 2392401.2700 2899008.2100 2425817.6600 3657860.2300 3081641.0500 4614080.2300 4007138.1600 3112292.8400 3927432.8300 3784353.3900 2673905.0900 5780127.1000 6077894.8600 3362146.2900 3112445.2200 4088008.7100 4828135.7900 3122130.3900 4043636.3700 3892032.1400 2419943.4400 3640867.7800 2575682.6800 4001168.3000 2134380.6900 4210189.2000 N-acetylcysteine N-Acetylcysteine N-acetylglutamate N-Acetylglutamic acid N-acetylglutamine N-Acetylglutamine 1092858.2300 2494015.5700 9327848.1000 12044285.1100 14711476.5000 21998102.5700 19457509 26424780.1800 32258622.0800 16613678.7900 29026139.0300 21788339.3500 13469194.4900 8666025.3500 12983939.1600 12764339.4200 24885502.3000 23472975.7900 27883766.0900 12889606.5300 14876624.3500 11416889.2100 12273552.2800 15800028.4600 29267406.2400 18430526.2800 11868290.4100 17382777.6600 26445166.3600 12676430.9400 24297746.4100 14590040.3800 20162844.8400 21025950.9900 20083728.8500 22899950 11598151.7600 15757034.8800 N-acetylmethionine N-Acetylmethionine N-acetylornithine N-Acetylornithine N-acetylphenylalanine N-Acetylphenylalanine NAD NAD+ 28032.9100 392317.6600 886533.9600 925907.0700 1319400.4500 590654.9000 84022.8100 300296.1400 105681.4900 258047.4400 994999.1500 1471525.0700 124082.9000 252535.3700 591576.8200 NADH_unc NADP NADP+ NADPH NADPH niacinamide Niacinamide 8055259.0600 10448038.3200 36415827.8800 60737472.4900 62791551.4900 77660971.3100 62470720.7800 96568337.2800 39798100.2700 16546117.7900 51004804.5800 42522488.4300 53823334.3000 70019208.9700 46005059.1000 55539434.0500 116058833.9000 88287577.8000 63088039.2700 38637813.7700 60484262.7700 62644397.5200 56582960.4700 54948808.2300 57280483.1800 14765793.3100 18679084.5500 77990648.2100 102794346.9800 66577434.7400 54596758.9700 106195586.3200 111770319.0500 92587593.2600 139202038.2400 150229518.7700 92056749.5600 129095840.7700 nicotinamide Niacinamide 7017233.9100 10160677.0900 34873122.5800 59014941.8900 59674462.4800 73356495.2700 59752993.7100 92429908.6100 38865256.0400 16008363.0200 48953639.1300 40451434.7900 51905266.6200 68170852.0800 43646684.1900 52440565.4300 113332985.5900 84036344.1200 59616886.9600 36972668.9500 57762189.8200 60405907.0100 53471122.7100 54206883.0600 54103229.5000 12632513.1600 17293446.7200 73681077.2800 100379718.3400 63951933.1400 52398771.6300 101668267.2300 106160984.0100 91252775.4300 135472844.8500 147462615.0500 90196157.5300 125232245.5700 nicotinic_acid Nicotinic acid O-phosphoethanolamine_unc Phosphoethanolamine 50676.3500 128279.9100 435820.9100 1439528.2400 1462799.2800 1722885.0900 1872542.0400 1862747.1500 2089500 1382119.1600 2034109.7400 1509779.1200 1430150.1000 1311530.9400 1176820.1700 1736086.9500 1725824.2500 1355261.8500 1461954.9900 1419366.6800 1515918.0500 1400043.0500 1782074.1700 1933808.5300 1650643.7200 1982450.5200 1536708.4600 1418371.2600 1977738.9500 1001765.1800 925787.8500 1733428.6000 1488018.9800 1072141.9500 2386683 1781488.7800 1518859.8300 2437778.8100 ornithine Ornithine 551667.1900 874557.2700 2856829.0300 4150125.7700 4770626.7100 5422505.6800 4990727.4800 6665020.6800 33689438.2400 3451829.6900 5464761.1300 12117382.6900 4509920.5500 3886357.6800 3283341.6200 4342780.6400 4553148.2900 5192729.6800 5187202.2600 3347407.8700 4429332.9400 4048113.6100 3589249.1900 6857208.7400 7228184.0700 4540578.6600 4913353.5500 3798811.9600 5514585.5200 5243385.3700 4874628.7000 5614413.7800 4686160.8100 5366988.6500 5402897.8800 9956558.7100 3869282.0900 5599577.1900 orotate Orotic acid 734888.5000 535280.4600 666124.8600 863945.9700 831285.6600 799026.5300 1238957.6800 572038.3100 933111.6000 629632.7300 473096.6800 452645.0300 423318.4400 592871.2900 1223203.9900 1307196.3400 913585.3700 462045.7900 803275.8200 807350.1400 406352.0600 970163.5200 886421.1500 663522.1500 714998.0300 868636.5400 604536.9500 698776.3900 588420.7600 755823.4500 644210.7100 764588.6500 866707.0400 1117036.7600 502076.8500 608329.0400 palmitate Palmitic acid 17143381.1300 18595269.3200 16007502.1000 12773857.3900 16952100.3900 9618905.3600 7805124.0300 40821149.5300 552292355.8400 15987719.9200 6141457.2400 6041315.2300 22414192.1600 9426571.1200 12514622.2500 29084600.7100 7450228.7100 12814135.6200 8839428.2200 10086475.4700 7774781.7600 33449209.3700 10216764.8500 p-aminobenzoate p-Aminobenzoic acid pantothenate Pantothenic acid 8620454.9400 13401497.1100 45783395.8200 54846275.7900 58725313.0100 67305669.2000 58785130.8100 88843557.8700 107323952.0400 62110550.7100 96268148.4400 86498338.8400 87964615.0100 77207811.5400 88417602.9500 112718401.5300 148586493.7200 96854842.7700 146385784.5300 93120663.0600 71740038.7100 71375458.1700 78864271.9700 52549388.3300 37059155.3700 37141417.9900 31931575.5700 28782346.4200 36607723.8300 36061400.3700 33798667.0600 43760705.1100 42730495.1300 36035687.3200 37613824.7600 31643768.4000 20945650.5400 35413396.9500 phenylacetyl_glutamine alpha-N-Phenylacetylglutamine 200898.9900 phenylalanine Phenylalanine 8674711.2100 10842108.9100 53182543.2000 88855599.7300 89152999.1000 110533412.2500 91128123.9100 144731974.9000 211710396.4400 81949800.8400 125536034.2300 123192432.6900 77552410.7700 86265572.9500 84750405.4000 119509394.2300 124171143.6600 121224680.8400 145618260.3600 70106126.3900 111133876.4700 103289829.2400 72280602.4500 162731059.2000 162214478.6500 81115495.1300 82008989.3700 81918854.9200 107777422.4900 78962788.3000 75796732.3400 102238369.9700 92826335.9400 95675815.2700 89722211.0600 125980289.1800 73628213.5800 121550189.1100 phenylalanine-13C9-15N Phenylalanine 22786422.7200 28635449.9600 156528624.2800 262415815.4900 271208791.9100 333497808.0600 269386799.9400 436095537.2400 318226801.9300 298604417.2100 322807246.2800 312788766.9300 256077289.8300 254961462.9000 283557178.1400 347444528.4400 392657943.2800 354370957.3700 392758176.3700 252645557.7700 325626815.3100 320221159.5700 296795143.6100 358312661.2300 311092302.7300 269373997.6100 267972664.6900 299034496.4500 370371843.2600 294285394.1000 294628146.6700 284711167.1700 324590345.9100 339470929.0100 274270092.4400 360365576.4000 238499343.2900 286211471.3500 phosphocholine Choline phosphate 1345333.4900 926042.7600 892937.7400 5156891.5400 8713725.4900 9268676.1300 15203772.0600 12690296.3400 19484134.4600 19532267.4900 9238999.9500 14238046.4600 15356273.7000 7942628.5600 11253661.7600 5490241.2100 12765221.7100 13686838.3500 9994708.6300 11899842.6700 6051246.1200 10982118.5800 11581887.9700 15128000.9200 23854313.9100 15990282.3000 11330154.3200 7461744.7800 9763528.4400 19599451.7200 7643135.1800 8132059.3800 12270647.8800 10126319.7500 8053638.2000 13134905.6300 12917757.8400 8215592.4600 18615526.0800 phosphocreatine Phosphocreatine 463092.6900 564221.2800 2527116.0900 6754064.3000 7100183.1400 7833164.1000 7590802.0300 8769447.9500 7860460.3000 5245672.8300 9574160.7500 7257104.2600 6667746.2000 5059289.6500 6502733 8220928.1000 9677619.4500 6374383.4500 7043690.6500 8492021.8300 7527780.2400 6983149.2000 4137910.5900 6935139.6500 11002361.2200 10719668.9700 6265493.3800 7341653.6800 6964196.2300 5376274.1200 6468642.2300 11061553.8300 6935788.8100 8997151.2400 8456293.2300 9076976.4100 5971511.4900 6091309.2700 phosphoenolpyruvate Phosphoenolpyruvic acid 351711.6200 500942.6600 490162.1800 824574.1000 594336.4700 1106801.9300 1109406.3000 811788.1600 794778.2200 608002.4600 423835.6500 377391.2800 455610.1400 721629.8400 651609.1700 581933.9100 479743.9000 497301.1500 591696.0700 666046.8700 603343.7900 1207783.2700 723371.5400 472754.3000 388012.1400 495806.2500 758922.6900 582441.3100 632164.5600 819638.1300 630865.7100 528224.7800 871248.8200 801552.6700 568678.4300 829558.1800 phosphoethanolamine Phosphoethanolamine 48608.3500 373214.3300 1240452.0500 1383935.2300 1423009.5500 1377308.0700 1600734.1600 1797386.3600 1056071.7700 1700111.2300 1219574.3300 1191478.1900 1238944.2100 1020999.9000 1315717.3800 1424493.0100 1169257.4400 1336610.8600 1156846.2400 1041173.7500 1165956.6800 1310308.4900 1656474.2100 1357767.0300 1819134.8800 1241770.9200 1384208.3100 1553171.0400 891603.1300 873082.2500 1427589.5300 1188278.9600 993718.4200 1911245.8300 1583931.1700 1204505.9900 2014753.0900 phosphoserine Phosphoserine picolinate Picolinic acid pipecolate Pipecolic acid 3600778.3000 3663324.5500 4248628.8500 5426224.1100 piridoxine proline Proline 934027.8800 1239905.0900 2068693.1800 7271817.8200 12876862.6000 13218944.5200 18402809.2300 15177951.0800 30620264.5900 217681321.5300 17482209.0100 19190416.4600 41002314.3700 8191790.7200 11484930.4500 6457880.7200 14183390.4800 14140130.3200 13461680 18605621.5900 9735733.6900 12134205.7000 14250483 16952778.9600 34193825.1500 34090871.9500 10491739 11660458.0500 11148678.0400 22226890.1400 11210085.5400 11935171.8100 23016494.1900 9180869.3500 12471336.6900 14305689.2200 21622646.1900 10724336.7700 21706496.3300 proline_13C5-15N Proline 14794494.3800 23597128.5200 105434587.4400 172522277.4400 185416901.7100 236283133.1200 205046009.7500 352302538.7700 329166432.3100 234146554.0900 251615853.6200 247962027.1800 166852259.8300 160919055.9000 181029705.8800 256325419.2100 141429753.3300 265314876.3500 302327947.9000 194366272.3100 240634382.5200 219669174.7700 210380803.2200 279251616.3200 240380083.3800 196678032.6400 195218606.7100 239089582.5300 284343691.7800 211858097.4700 231574874.1700 226146095.1200 180900785.1900 262267029.2900 178630557.2300 267999767.5900 174704897.8700 200677324.2400 propionylcarnitine CAR 3:0 279502.8000 1562739.6300 1270102.3000 1554895.2700 2497477.0300 1788811.6700 2941043 2818717.7800 2198335.0800 2110133.7600 2823960.0800 1233120.7700 1659225.8000 700289.3600 2438057.7600 1500049.2000 1463771.0500 2331470.7800 554599.3000 1759688.7900 1585384.6200 1929650.3700 5088356.4300 4336284.0700 1614778.5600 1068089.2700 1539440.6600 3187628.8400 1724274.2600 1304053.2500 1006339.2800 1158692.7000 831724.0600 1368486.3900 1500406.1100 955401.4000 3302512.5400 PRPP_unc Phosphoribosyl pyrophosphate pseudouridine_unc Pseudouridine 102525.8600 41954.4200 226005.1800 280559.5100 652805.6400 1289428.2400 1500416.2200 1502526.4200 1665070.6400 1703781.9500 1461325.5900 1141396.6000 2525778.0400 1730532.9600 1194254.4400 1241359.4500 1160348.5500 1362794 2100639.1700 1736715.2900 1353264.7500 1750921.7800 1631064.0100 1820250.8400 1066468.9100 1103332.3600 1644760.6800 1547594.9500 1371550.7500 1238191.5800 1189147.0900 1259399.5500 951033.5100 1798682.0600 2083971.3300 1686887.1800 1928975.2900 1421807.9700 1246634.4900 1924092.4600 pyridoxal Pyridoxal 736075.8500 1073335.9700 1024501.1900 1407317.9800 1528287.1500 688786.0900 1297884.9600 1442227.2300 959148.6900 901607.4600 902744.4000 1067912.8400 1561242.4900 1887493.3800 1674222.9300 1461940.6000 1343275.7300 1028422.6000 1349101.0400 1224673.2100 579570.8200 838726.9000 583042.5600 1150641.3600 564556.6000 1041993.7900 497074.0400 574989.8000 527104.1100 pyruvate Pyruvic acid riboflavin Riboflavin ribose_1-phosphate_unc 133462.5700 146425.3400 342890.1000 323420.3300 188095.4800 117402.7100 221288.1300 323805.6300 239321.8500 119219.8400 308176.6200 63633.3900 269010.0600 246246.6300 177889.8100 45132.7400 115049.6400 217022.9000 280506.2400 462522.2800 563493.5300 323889.2300 368392.6700 299531.0400 154671.8300 375271.2900 152720.5700 156675.1800 141438.6200 152890.5200 197950.1800 299126.1500 241529 177684.9700 544569.2000 ribose_ribulose_5-phosphate 47944.5600 55704.3300 43944.4600 52884.6300 14840.5000 23857.1200 56103.0800 25326.0500 35485.7000 32146.7700 11592.7400 41685.9300 23734.3000 18368.1000 26826.5500 34357.6700 70302.0500 76960.9100 67670.7900 48745.0500 35986.6500 43998.8900 63403.6000 36999.6100 20699.1600 18654.1200 29120.2600 23066.8900 65298.1100 35172.6700 21555.0600 82469.2900 saccharopine_unc Saccharopine 387029.3700 580279.8000 4274063.2900 14467815.6500 15326926.3700 20354052.3300 16957721.0300 21798788.7800 39879823.0500 6879214.0100 41245258.6700 20524580.5100 8582268.4000 9965068.8500 9813300.3700 20620510.0900 22573012.0300 27642625.4600 18766716.9500 16220961.9000 16362673.4500 15477399.8600 7061176.6200 21746934.1300 23883649.9500 30698708.6800 10846594.8100 21328993.8600 24225956.9500 8545302.1200 11355787.6900 18188583.6700 13521250.2400 10395472.2000 21442865.1400 15805792.2700 10119683.3400 21755186.4400 S-adenosylhomocysteine S-Adenosylhomocysteine 50595.5700 126776.9500 116307.2300 92301.8100 94800.9600 253166.7100 84365.8500 70686.1400 195414.7600 32122.1300 67145.8400 88968.6000 66384.4800 60689.0600 83642.3700 56421.4700 32655.0200 502703.8100 280197.1100 50241.2900 34744.5900 273695.5300 30367.6700 63575.9200 41178.7800 32596.6100 47597.7100 307359.6100 S-adenosylmethionine S-Adenosylmethionine 316859.0200 464877.8200 2376505.4800 3731970.0100 4360316.3700 5643798.5200 5066689.1700 6275982.1500 6085319.7900 4297873.7600 4449780.5100 5610612.3700 3153501.5900 3991373.4900 3256282.6700 4168192.8300 6425531.7000 4704293.5300 4933786.9500 3845624.7100 5214430.3600 4655667.2500 4089193.9700 7615963.2800 4919973.8800 3794401.0700 4288754.5000 5768357.2200 6198539.4500 4675030.1500 4903066.9500 4936619.4700 4006430.6200 4535801.7600 4505838.3000 5171985.7700 2992942.8000 5606259.4500 sarcosine Sarcosine sedoheptulose_7-phosphate Sedoheptulose 7-phosphate serine Serine 949505.2100 852454.4700 3820589.6300 16670121.6600 15312401.0900 16281208.3600 14383580.8000 17912829.9100 39628724.1700 13308777.8100 18747632.2200 26416788.7900 15335857.7800 14953258.5500 15478513.1200 14345385.5000 18954643.9900 19202177.5000 20121398.5700 16091686.3300 15745720 16791504.1900 11895590.5100 16100489.5400 17073906.2100 12233706.0700 14709751.5000 14346525.9800 16057604.1400 12870614.4700 11916790.0500 15864290.3800 13043744.7200 13714406.3200 15274383.2700 18398112.3900 12971137.2700 16790904.8800 serine_13C3-15N Serine 210199.4000 171156.8400 1122014.3300 4879696.5300 4530236.6100 4860657.5100 4218737.2400 4947363.1500 4427807.4000 4510963.3000 4826784.4600 4885732.0500 4189871.2800 3833809.7400 4859093.0400 5562973.3000 5030209.3500 4536872.8700 5214541.1300 5062966.9200 4234027.8600 4846429.3800 4491366.6400 4753309.5000 4504858.5500 5116664.6500 5052933.7900 5009522.1000 4945658.3800 4575043.3400 3967696.8200 4833729.9100 4497495.2500 5144589.5800 4365867.3900 5273198.2700 4818133.9600 4677567.5000 S-methylcysteineunc 22745.6600 41130.9300 succinate Succinic acid 3265402.4600 3739085.2600 12744593.0800 18168459.1200 21746397.2700 22951770.9500 22847315.7400 29063661.4600 29032813.5700 21723484 20362572.9300 22075486.7500 17440591.9200 17712113.4300 18709320.2800 29155867.9500 23360996.4700 21482807.0500 24021202.7900 14905195.9200 23002962.1300 21670537.8500 27380630.5700 26527786.2500 27851931.1800 17785287.0900 15096500.5500 20453639.6100 20818087.1400 18556313.4400 18296175.2100 14731393.3500 22039023.9600 22154074.8800 23429288.4900 21594749.8400 21802752.2000 23413118.9800 taurine Taurine 5519703.5400 4141827.6200 3575314.1100 4393000.0200 11173775.5600 29303706.6700 32052237.5400 32918954.4900 34753748.7000 33292452.8300 40987770.9300 56887541.4000 29898037.4800 38459466.8500 24582744.0500 26230996.3900 16494031.0400 27492263.0600 24703079.5000 25494565.6800 23861207.7100 17535138.0500 19362209.5100 27619934.9500 64881513.7600 70249180.1500 46249736.1400 24582630.4800 21125201.1700 20894180.6700 44421768.9000 24446626.1500 22062258.5100 19950851.9600 27949097.6300 25871162.6800 38992977.7700 26164165.1600 30411167.1300 97726520.1500 thiamine Thiamine 31191.1400 106896.9000 70710.4600 23894.5600 76069.5900 184279.0800 159334.1600 72681.4900 80561.3800 57642.7300 68281.4200 29082.8900 85409.5900 54607.3200 61944.0800 22722.7100 107775.9900 18359.3300 149041.4900 17992.3200 90521.9900 68447.7100 27980.1200 66783.8500 84712.6800 21501.4700 120151.4800 127046.1200 43251.4900 190971 thimethyllysine 133455.2100 143679.5000 342890.5500 323420.3100 188089.9300 218148.1500 323809.6400 239315.3100 119217.7900 308171.4600 63630.2300 289708.7200 246244.2400 177890.7600 115046.5400 217023.7300 280503.4200 462511.9700 563516.5700 323891.7500 368393.5000 299535.9200 154667.7200 375270.6400 152724.3700 165199.2800 114164.4500 152888.9800 196739.9500 299114.5300 241516.4900 177682.4400 544556.6300 threonine Threonine 2882579.8900 2854805.8500 16549805.4900 59054868.8900 46777463.5600 54580862.1600 44951749.5300 70455940.3700 137654098.8200 30003222.6100 63697068.0200 78420514.5600 54289506.0600 51346168.5600 55690787 48953553.3000 58431880.3100 69045473.2200 76256749.9200 43086504.8200 68912990.5700 80354652.9300 35892255.8800 67457242.0200 61952973.8400 42974832.3900 40041836.3200 58238948.9200 61873523.9500 43913905.4700 45568812.1600 29972852.9200 34625843.3300 48480783.6000 48706771.3200 55942941.8900 40594863.1400 62986027.4600 threonine_13C4-15N Threonine 147.8100 1476145.1400 1742594.5900 9162735.5500 32769157.7200 27119453.1800 29912043.7100 25598758.8400 39001206.1800 37365353.9500 28359065.0200 30695752.7000 27783313.9800 23470985.2300 23851998.6000 26940917.5200 32747392.1200 33586565.6600 29625140.4900 33847715.5100 29264156.5000 27787026.1900 29605544.2300 24978881.2400 31890416.3500 29470831.6200 27369316.1300 28235231.5200 32981508.5600 34612286.0600 27309814.8400 25420637.6800 29411483.1800 29696825 33280987.5300 27969652.7500 35365913.9400 27374335.2200 30034053.7000 thymidine Thymidine 56778.3500 59862.3900 122741.7300 101854.3400 86942.1400 94219.3700 trans-urocanate Urocanic acid 2111448.0500 1199197.8600 4052476.1600 5924872.6100 6179813.3100 8408627.5100 6584152.5100 11808862.8300 770593219.4000 16134458.1100 2722674.4300 75068184.5600 4044322.3600 2132328.0700 4409768.6200 4115121.8400 2844081.9800 3480917.2300 3243017.2300 6268419.3700 1520504.6700 2632563.4900 3069090.2900 5948249.0300 2737498.6000 2384587 2216419.7200 7104663.7000 4443625.0900 5816431.6400 3920561.2700 10889624.6000 7242373.2700 3877308.5600 3473275.4400 48135172.6400 10006680.2900 2982074.6400 tryptophan Tryptophan 1611715.5700 1876839.3400 8779495.3200 20905361.6200 22094258.2600 27980461.3600 22026191.4900 36010666.6100 58614725.9000 23683713.4200 35250280.1900 35265141.0700 20443179.4900 23113962.6200 26549545.2800 34378572.8900 37074088.9200 30244100.3000 40306282.6600 20773578.9500 28211209.6400 28873269.4600 20543523.8700 42076146.4900 35357062.8800 20877672.3800 21618556.8700 18042051.2900 22527672.2500 16022615.2300 15692356.4400 22517229.2200 17021751.5700 16736617.3900 19593627.5100 29342966.7300 16119998.9400 28532562.0600 tyrosine Tyrosine 2689708.7500 3230480.2500 11450681.3600 31874684.6900 28770053.5800 34782603.4100 28882559.7900 43946783.5100 97018449.0800 32891032.0300 51234532.5700 58467942.2600 35005095.3200 29623402.5600 31130049.2200 39707135.7100 24068494.9900 39605763.6800 40963983.8300 29457411.0500 35151104.5200 35479231.5600 29074644.5100 61009454.2000 42254215.7900 34962534.2400 34435880.0200 23117164.3700 32366293.5500 27803372.7400 26062043.7200 28686749.9800 17409860.0300 24139768.5300 26287490.3100 42736978.7000 29768296.5600 49916507.2700 tyrosine_13C9-15N Tyrosine 430.2900 5738229.2700 6354788.7300 26563613.5100 78259322.2700 72731888.5800 86042155.5900 69332617.2000 103944048.1800 111961619.6100 80352303.9800 95521462.1400 98371783.1600 78753311.3700 75133556.8600 85442250.9400 103383700.8300 57688107.1400 96252077.8300 106825770.3700 85989103.4100 87471462.2800 93520642.0200 84635514.1100 104414157.4500 88626385.7200 90379596.1400 87840000.5700 83807285.5800 113510208.1400 83542484.9500 81931549.4800 70742883.2300 58470689.3100 91624126.2600 63767655.6600 102279699.8000 82520312.2400 94438588.2000 UDP UDP 171723.5100 129532.2300 151126.2300 84192.4900 64998.4200 74900.9100 83938.9800 86656.9700 81464.4600 132426.4100 81260.8700 141531.9400 50760.7500 53126.0800 120400.6300 55247.8100 96641.8700 140015.1000 124203.9800 86584.0800 UDP-GlcNAc UDP-N-acetylglucosamine 152630.3700 174414.3300 177706.5700 109630.8200 UDP-hexose UDP-hexose 155725.9800 UMP UMP 27519.8100 40850.6600 87490.4200 117725.6200 42397.7500 uracil Uracil uric_acid Uric acid 1648467 2322268.4200 4050695.2200 7539848.5100 9270201.1500 10129877.6300 9975729.4100 9637113.4100 19870058.9200 8199192.5400 10205055.6100 13564284.2200 7954248.0300 9087809.2500 5576184.9600 5560738.4800 9194712.5400 9643495.2500 9066406.4600 8105167.6800 11676883.0800 9715136.2400 9519190.0700 13712464.9300 14603834.1400 8331483.0300 7185793.8900 5627773.7000 10377614.1900 8523143.5200 7388553.2600 9083142.2500 12709691.2000 5521366.6000 10535950.2300 11253170.1000 9561493.1200 15825009.1100 uridine Uridine 223730.3400 1368698.1800 1892040.4700 4460350.9600 9817670.6800 10484568.2700 10988634.8700 10332043.1500 9360753.3200 12502401.6800 4894335.4700 13150336.7100 15166532.7700 10442166.5700 10321286.0600 7657357.8600 8125507.4000 7895205.4300 10559998.7800 7936711.3300 6374076.9400 10935720.2100 9418976.3300 8087407.4900 10739540.2600 15939633.7200 10618099.2500 10722391.5200 8267544.0300 10816613.3900 9114747.5500 7747463 10386248.7800 10268035.6100 5072541.4600 11047555.4200 9238408.3500 9018721.6400 16783278.7000 UTP UTP valine Valine 9909778.3800 20300246.0200 17279994.7700 19578732.5800 19613508.9800 29375032.0700 59443054.9600 13081332.5600 18106952.4400 27790855.6100 19824840.6100 15795800.9600 17842878.4600 22725227.2500 24987156.4700 26228623.3400 22606345.4100 14198984.3200 20286196.3300 21127691.4100 17374687.3000 31832579.0500 30325364.6400 15509439.6200 15523589.5600 21294034.6100 25466005 16803429.5300 16694280.6900 15780601.8500 23135623.3700 18783261.2300 20300298.2400 24030961.5600 16978880.8900 26952640.9400 valine-13C5-15N Valine 6170.7800 3153937.7300 3539122.2500 16030938.2600 41071009.0900 35810316.4400 44699437.9500 35127667.5100 63780022.7200 56934013.9000 33663801.7200 45419494.2900 50659941.8500 38933733.4600 36770354.1700 42696375.3700 52512384.4600 55388055.2800 50513666.1200 56231318.4700 39649847.4600 44830133.7800 46370225.9100 40524535.8500 52934491.8300 47449752.5500 39645345.0200 39395416.0500 41823333.5100 52778081.7500 40790741.8500 38868743.1400 34373710.7400 44812076.1700 46163764.2300 35828621.7600 53235021.9300 42123288.7000 46657571.9400 xanthine Xanthine 271603.0300 364361.8200 637990.6800 957763.7500 782738.7000 1034161.8400 1232901.3900 149792.2000 833550.6800 1384698.3200 474805.1100 569993.5900 181393.1200 551720.6300 673172.2700 967165.9100 1185710.3900 122543.3400 1260226.2500 1059071.6000 902603.9800 803720.4200 1318343.9100 518258.2700 532141.0600 215828.5900 969275.8200 780541.3000 662809.9100 880710.6300 846950.4000 134783.8400 597347.8400 804476.4200 550367.5000 1401551.8100 xanthosine_unc Xanthosine 21543.7000 17834.2000 40837.8200 18679.5200 37777.2100 84337.4800