Metabolite_name RefMet_name 20221116_QE2_JAS_Job2640_64 20221116_QE2_JAS_Job2640_65 20221116_QE2_JAS_Job2640_66 20221116_QE2_JAS_Job2640_67 20221116_QE2_JAS_Job2640_68 20221116_QE2_JAS_Job2640_69 20221116_QE2_JAS_Job2640_70 20221116_QE2_JAS_Job2640_71 20221116_QE2_JAS_Job2640_72 20221116_QE2_JAS_Job2640_73 20221116_QE2_JAS_Job2640_74 20221116_QE2_JAS_Job2640_75 20221116_QE2_JAS_Job2640_82 20221116_QE2_JAS_Job2640_83 20221116_QE2_JAS_Job2640_84 20221116_QE2_JAS_Job2640_85 20221116_QE2_JAS_Job2640_86 20221116_QE2_JAS_Job2640_87 20221116_QE2_JAS_Job2640_88 20221116_QE2_JAS_Job2640_89 20221116_QE2_JAS_Job2640_90 20221116_QE2_JAS_Job2640_91 20221116_QE2_JAS_Job2640_92 20221116_QE2_JAS_Job2640_93 Factors - Media:RPMI | Collection_Time:Day_1 Media:RPMI | Collection_Time:Day_1 Media:RPMI | Collection_Time:Day_1 Media:RPMI | Collection_Time:Day_1 Media:RPMI | Collection_Time:Day_1 Media:RPMI | Collection_Time:Day_1 Media:RPMI | Collection_Time:Day_2 Media:RPMI | Collection_Time:Day_2 Media:RPMI | Collection_Time:Day_2 Media:RPMI | Collection_Time:Day_2 Media:RPMI | Collection_Time:Day_2 Media:RPMI | Collection_Time:Day_2 Media:TIFM | Collection_Time:Day_1 Media:TIFM | Collection_Time:Day_1 Media:TIFM | Collection_Time:Day_1 Media:TIFM | Collection_Time:Day_1 Media:TIFM | Collection_Time:Day_1 Media:TIFM | Collection_Time:Day_1 Media:TIFM | Collection_Time:Day_2 Media:TIFM | Collection_Time:Day_2 Media:TIFM | Collection_Time:Day_2 Media:TIFM | Collection_Time:Day_2 Media:TIFM | Collection_Time:Day_2 Media:TIFM | Collection_Time:Day_2 2-aminobutyrate 2-Aminobutyric acid 519834441.1000 516528808.3800 530214596.4700 532137135.4200 519825285.4200 522635038.9200 512800666.6000 527707244.2400 534130723.7400 538895181.2400 624436726.1400 631207231.1900 641656194.1600 610921070.1400 606670636.9500 583852994.3100 644166017.8000 629421509.1700 589483892.1300 630121333.9500 640416441.8700 613052371.4700 2-aminobutyrate-13C 2-Aminobutyric acid 17358859.9300 17038503.4600 18422235.8200 17143531.8100 17585865.7000 17230687.1100 18371220.8400 16017560.2700 17908139.7300 17655855.9300 17395010.2700 16909481.5300 17463604.3400 17923833.1500 18290087.6100 18064039.8300 16886119.4400 16873058.4900 18021420.0300 17695780.6400 16385103.1200 16314807.1600 17529547.1800 15692699.8900 2-hydroxybutyrate 2-Hydroxybutyric acid 195089.9900 53667.0200 114244.5700 77834.2700 70393.1700 180618.3500 487658.4700 356182.1100 413066.8000 335868.6500 406689.2700 490659.4800 8395690.1900 9778451.9700 0.2500 0.2500 0.2300 0.2200 0.3400 0.3300 0.3000 0.2800 0.3100 0.3100 2-hydroxybutyrate-13C4 2-Hydroxybutyric acid 2-hydroxyglutarate 2-Hydroxyglutaric acid 6158715.1000 3870627.1100 3267105.2300 3754986.9400 3638654.2600 3934588.4700 9698144.7200 9856178.1500 10880950.9000 8966028.1700 9897414.4100 9451038.8900 196181838.7900 202576228.3400 179174346.0400 183013695.2800 182501229.9800 172280187.8000 207210494.1400 195984112.6300 176082029.7100 184120167.4100 184400726.1900 184767604.5600 2-hydroxyglutarate-13C5 2-Hydroxyglutaric acid 23538479.6000 23759002.8400 25712128.7600 24380477.3400 25611038.3200 24686173.1500 24144288.5900 21998544.5100 23922983.8400 23196155.4800 24147566.2700 22392160.5400 19613502.5000 19606702 17971646.6700 19600104.9700 19403784.9000 18253880.3300 18983714.1100 18471598.5100 19583452.8600 18308400.8100 19266466.4800 16553838.2200 3-hydroxybutyrate 3-Hydroxybutyric acid 73934.3900 83376.8300 30854.5200 53949.1000 26267.0300 39560.5900 49529.3800 45339.1800 50457.9700 40822.4800 39211.7200 35586908.2700 37517090.1300 31525918.2700 32085795.9400 32185280.2700 19617096.2900 35409641.7700 31470501.2700 28134180.7700 20937423.4800 28949292.9000 29060931.5500 3-hydroxybutyrate-13C4 3-Hydroxybutyric acid 3-hydroxyisobutyric-acid 3-Hydroxyisobutyric acid 79295.2800 83885.4000 71623.8200 26495.4300 63590.8400 5570961.6500 7306998.6200 6253129.9900 5766235.2800 5395168.6400 5488138.3500 6864550.6900 6296427.9500 5770982.5400 5523911.3000 6370717.4800 5119420.2700 3-hydroxyisobutyric_acid-13C4 3-Hydroxyisobutyric acid 58282.7000 510797.8400 538424.6000 283883.3600 483314.1600 234958.1400 803199.3800 221847.4000 398559.4100 207978.3400 149059.1900 474260.9200 3-methyl-2-oxobutyrate Ketoisovaleric acid 118761.3800 576499.8500 148220.7200 2410628.7400 2563816.6000 2787707.2100 2760204.5200 2529404.5300 2456340.8000 19918932.7500 21662205.3900 19170048.3200 18583275.4800 18536643.9800 16123685.3200 14252927.8000 13016529.1500 11235546.7900 12066639.0600 12910966.0100 12138828.9400 3-methyl-2-oxobutyrate-13C5 Ketoisovaleric acid 54334.1800 61890.0100 90580.3300 86350.7700 58119.4800 47687.0100 86682.3900 58335.2700 92482.7200 107795.7600 77467.5700 101559.5800 67952.1200 73954.8200 50364.8500 71466.1700 81847.4400 55563.9800 53199.5200 67953.6200 60101.9000 88937.7400 82677.4000 54622.2800 3methyl2-oxopentanoic-acid 3-Methyl-2-oxovaleric acid 2708470.1700 2385321.2200 2780296.5300 2251196.9100 2034906.3900 2116755.9900 162300106.9500 184254989.3900 220437215.1300 192692311.1200 191162955.0500 194455009.9600 24265170.3400 24967354.6800 21962825.1200 22682819.0600 20862974.1700 19619553.5700 147178852.0400 143845325.0400 124867557.4800 129376385.8300 131028426.1200 128679839.9100 3methyl2-oxopentanoic-acid-13C 3-Methyl-2-oxovaleric acid 155270.7800 142322.9700 203444.8700 159137.8400 166706.9100 183775.4700 164545.8200 88036.9100 148029.1100 241045.2100 157847.4300 184159.4900 168558.5100 122115.6000 168784.9700 249034.6700 123425.2100 167745.0500 139421.5500 93018.2300 132087.7700 185385.4200 131225.9200 129754.3900 3-phosphoglycerate 3-Phosphoglyceric acid 199658.6700 1918163.5400 2284680.2000 2566597.7700 2120023.1200 2104951.6300 2122462.2300 97764755.9600 96930372.5100 87450367.4700 78556609.1300 77593373.6000 72396676.8000 85680708.4900 72091476.7100 63470370.6100 66691511.7700 73986713.6400 68185353.1600 3-phosphoglycerate-13C3 3-Phosphoglyceric acid 7376290.6500 7721579.6300 8434343.8000 8411880.8200 8224252.5900 8082451.0700 7918748.8900 7712656.1200 7872305.1100 7317920.9700 7351788.1900 7128077.5400 6689711.3800 6412402.5600 5992803.1800 6089690.5200 5486504.6800 5673180.8900 6597730.3000 5936516.3300 5585216.9500 5679440.2100 6299095.7200 5336055.0300 a-aminobutyrate 2-Aminobutyric acid 1257820.9900 904503.5900 549172.4400 380679.3400 1341989.4800 2588551.4000 2386187.3100 3040546.3400 2879680.3100 0.0700 0.0600 0.0800 0.0600 0.0700 0.0700 0.0600 0.0700 0.0600 0.0500 a-aminobutyrate-13C4 2-Aminobutyric acid acetylalanine N-Acetylalanine 781382.8900 342992.2800 179463.0800 311715.6300 654543.0200 598337.0400 974476.1700 1058984.7300 982534.2300 6969442.0200 7879745.3400 5886783.7100 7437167.0600 6740460.3800 6573601.3100 7831335.8000 7960245.5000 6117734.8100 5960242.6200 6183603.1200 5892777.6200 acetylalanine-13C5 N-Acetylalanine 1864987.4000 1995612.2800 2228250.6400 2316322.1000 2608608.6400 2582188.1200 2884116.8400 2331209.6300 2448183.9800 2469864.4900 2999535.9000 2354575.2800 2177981.7400 2199270.4600 1958682.7400 2723235.4400 2488063.6800 2483244.2200 2466864.9300 2296305.1200 2335914.4000 2289353.3900 2305516.6200 2397981.1200 acetylaspartate N-Acetylaspartic acid 3233598.9900 1568088.5600 395630.2800 2988689.3300 2522785.3200 2826551.8400 4627742 5782211.8300 3469335.8100 4517589.7500 5324056.1200 5199045.8500 acetylaspartate-13C6 N-Acetylaspartic acid acetylcarnitine CAR 2:0 24110231.7300 10266475.8600 8385393.5100 9929146.0700 11493785.0500 13377493.2000 9544716.6600 59679485.0200 10982424.7200 16985201.2400 13524862.2000 11231796.2200 11250576073.5300 12110603595.9600 10763398277.8600 10639516087.6100 10496219791.1600 9442571120.5900 11259628741.4900 10127091007.5600 9128548518.6300 9723114049.6600 9596709397.6000 9507416963.2400 acetylcarnitine-13C9 CAR 2:0 3898889.6400 4158718.9800 4903421.5200 4668378.9500 4185236.7400 4678178.4700 4754843.4500 4568870.6400 4128458.2200 5050424.1400 5274225.2900 4682098.3300 2175889.1000 1894754.6900 1156404.0100 2863496.4000 2314308.1100 655607.3300 1478442.7500 1540141.0900 3098730.2700 3062983.8100 669661.2900 acetylglutamate N-Acetylglutamic acid 737648.3600 839943.9500 667373.7900 671299.3200 990544.6200 720043.7900 28169932.5400 27955556.2100 24589525.4600 24378120.9100 25486724.1000 23673303.6800 35466184.7500 33136304.8500 30541217.4400 30904627.0200 32482095.2500 30687882.2100 acetylglutamate-13C7 N-Acetylglutamic acid 48762134.7700 48569532.6700 55865107.2600 49319358.5300 51034071.5500 50473012.9300 54308874.7700 48666445.1600 51116721.4600 53229025.0900 51225523.5800 48692544.3000 49979368.6400 50406066.7600 48785391.2300 52822293.4900 50394120.6600 49640138.6300 52098661.8100 51865484.5500 51029499.6400 51089098.9900 51561373.2000 46329700.0300 acetylglutamine N-Acetylglutamic acid 4476038.0700 4700978.3900 4522741.1800 4672728.6900 4723559.7900 4462870.7700 5258474.8500 8384725.2800 6227693.6800 5613951.4000 5150168.7700 5176704.3000 68630309.1000 73447372.9000 64267491.9800 61264724.2700 61707936.1200 57105329.6000 74766157.1100 65643993.1600 60674079.1000 62772029.2300 63753286.0800 61273393.4900 acetylglutamine-13C7 N-Acetylglutamic acid 5209141.0500 5400204.0600 5534768.3200 5470634.7600 5647796.2800 5594730.9700 5578393.3700 5575283.6400 5713250.1100 5618641.1300 5239026.7700 5184180.1000 5869001.9500 5635071.3300 5794804.0500 6055126.2000 5684627.0400 5713442.5400 5903235.8700 5720465.9700 5692582.3900 5621800.1400 6035192.7500 5044708.0600 acetylglycine N-Acetylglycine 187309.2300 337661.1000 188164.7100 73978.9600 298184.7100 197078.9300 3400241.5600 3122852.5000 3269739.9300 3040110.0500 3184436.2300 2661019.8800 2921800 2982308.7800 3044455.5000 2897581.6800 2728855.8100 2742740.5400 acetylglycine-13C4 N-Acetylglycine acetylmethionine N-Acetylmethionine 200814.8000 383254.3500 acetylmethionine-13C7 N-Acetylmethionine ADP ADP ADP-13C10 ADP 2993061.1300 3894892.1600 3461941.6900 3697365.5900 4229273.2700 3780017.4100 2871852.2900 4180182 3821816.4600 2858560.5100 2953566.1100 2652586.3900 2242742.3100 2039674.2200 2382502.9500 1072891.4400 890756.7000 280887.5900 1358580.4000 1171207.2400 1330542.0200 774125.4700 2006096.9700 1435050.2500 AHB 2-Hydroxybutyric acid 195089.9900 37708.6100 114244.5700 77834.2700 70393.1700 180618.3500 487658.4700 356182.1100 413066.8000 335868.6500 406689.2700 490659.4800 8373687.4800 9760370.0900 7856259.1400 8057390.6900 7298267.1400 6903990.5000 11528814.7900 10384040.9400 9483173.0800 9061363.3300 10033547.5200 9195381.8300 AHB-13C4 2-Hydroxybutyric acid AKB 3-Methyl pyruvic acid 809791.0300 431344.1100 545618.2200 949712.4900 580571.1100 484689.0400 602655.4500 786287.8400 896708.4500 718529.7200 345935.0100 453688.8500 2898508.4300 2689791.1600 3106803.8800 2973446.2400 2490975.9300 2048739.8000 1063993.8400 929770.0700 813177.9400 465643.8800 665736.1000 682633.2300 AKB-13C4 3-Methyl pyruvic acid 31199.9800 43756.1800 31383.0900 30363.0900 93856.0100 64112.1200 26433.6000 42145.8000 40739.2400 41988.2800 48674.1400 39393.6300 37520.0500 21960.7400 akg 2-Oxoglutaric acid 2998207.9000 1668174.9500 1725350.9400 1534197.3500 1673920.4900 1844546.4000 108642375.5000 115714088.1000 129369886.8100 115359035.8000 114320944.0900 120013220.1800 150184812.3900 148587790.5100 141188445.8800 139130577.5600 141398250.4200 136107668.4200 230506921.1900 216998971.6400 208050793.5600 215194387.2100 216947662.9700 208642330.4600 akg-13C 2-Oxoglutaric acid 58743435.3600 61017064.7400 62991828.6000 60005526.9500 63583847.4800 56964999.0200 57498421.3800 53128170.1500 55378995.4900 55773675.6400 49284195.5500 49425644.5400 49171560.3100 47597563.1000 41645961.3500 51213980.7200 46488538.9800 49570857.2200 35634300.9500 42280885.6000 41116650.5100 42263995.9400 40585878.9300 39512429.4800 alanine Alanine 26456626.5000 7959052.3600 6505655.9300 7564781.4700 7696139.2500 8427909.9300 125474075.7200 338667236.0800 161370534.0400 141071201.8200 143103302.2500 147286105.6600 1204579738.1300 1217345909.9700 1199929417.8900 1157685917.8200 1160775440.5100 1127467719.0600 1248207824.8400 1140390835.6100 1159863443.2000 1155496064.4800 1171627520.9700 1141164295.6800 alanine-13C3 Alanine 259380826.8600 270676120.9400 285911947.7000 258421129.7000 275901946.5800 271565125.5000 286623032.1600 254843112.5500 274729821.4900 281525429.9000 274731450.7300 267563969.1200 63734840.6000 51796055.2400 56432961.2200 62643666.5000 55833525.7800 57222774 44906752.4000 51128151.3700 54841270.4200 52323031.8400 48048919.8000 43718200.6000 allantoin Allantoin 1515814.6600 348881.9200 259982.5700 376264.5400 282064.6400 381781.8500 144672.2200 588892.1400 272315.4600 254639.6200 140747.7300 97879145.1200 109732556.4200 100938923.0500 97466963.6500 98588395.4100 99968551.3800 116826133.9500 108281729.0700 102097812.4600 101044986.0100 104929497.7400 101713376.3400 allantoin-13C4 Allantoin Aminoadipate Aminoadipic acid 2267688.8200 8464615.6900 11140456.3500 11570045.7800 119092021.2000 113800089.9100 109082946 110138641.0800 97822150.9700 105490579.3100 118256925.5500 107879799.8300 106704890.3300 104378324.9500 113137736.3500 104472046.3200 aminoadipate-13C6 Aminoadipic acid 58349871.1000 55683285.5000 61417805.2100 58234028.4800 58847783 59267220.6900 62376545.3000 58013647.1000 59735101.7000 59456935.9400 59087993.1800 57253902.1400 43885859.4700 48097545.4400 42061328.4900 43611549.1900 43461456.4000 46750705.9000 40088535.4200 41621191.6000 42987160.3400 43602660.9300 42214625.8900 40871090.3100 AMP AMP 4828612.2100 5003105.8000 AMP-13C10 AMP 369525.4500 arginine Arginine 18141878217.5600 18490867145.3200 18804043055.3400 19241797652.3200 18725539422.6600 19099938384.8400 14391144238.3900 14789990021.9500 15155710639.4300 14290055889.7000 14113633049.5200 14214470287.0200 145701989.6100 152767456.1600 152269125.3300 115361183.5500 121049384.5400 117261965.1300 19104111.0900 20444861.0600 31055282.3100 21302496.1900 22417473.5500 18167576.5700 arginine-13C6 Arginine 2774099166.7900 2756089430.1100 2933288958.5700 2823365950.1700 2937079750.1000 3045069457.3300 3767630168.4900 3220069568.0600 3488334232.1200 3573708239.2000 3465103854.2100 3419485143.4000 7658748959.8800 7833572769.7800 7500151588.2300 7856305519.5500 7498351573.8500 7470474847.8200 7847690338.8300 7793030087.8700 7457615890.8400 7480656513.9700 7761981260.1600 7121679670.6700 argininosuccinate Argininosuccinic acid argininosuccinate-13C10 Argininosuccinic acid 60751.4900 336529.2500 315523.4800 488410.6300 318193.6200 303549.6400 338517.5200 277433.4100 191058.6900 213136.9800 249465.8700 220955.7700 441491.2500 511906.2800 ascorbate Vitamin C 70185.1300 57086.4300 71880.3500 54438.6500 95215.5900 490770.5400 392981.8500 528651.1200 451790.6600 284780.2500 334799.3300 46612.7500 99523.4000 94866.5600 88992.2200 163770.5200 ascorbate-13C Vitamin C 206026.1200 190075.4800 241554.7800 148324.1300 213039.1000 170601 300387.7700 271964.2400 249554.2200 166502.1100 295973.4200 93078.3700 159664.8500 239397.5900 163756.7900 66513.1800 214680.3000 asparagine Asparagine 519951828.3600 549353184.6400 560051075.9800 564173254.3300 530914618.4300 551378869.8100 533195362.9500 546368719.3300 561269056.2700 528095715.2400 514340901.1000 518637557.6400 172740415.5300 185923255.7100 176174564.9100 158305702.5000 164749850.1200 158723168.6700 193807900 171791735.9500 169721018.2200 166304920.9700 180450723.6600 171136425.1700 asparagine-13C4 Asparagine 28402574.2200 25057247.7100 27831193.2000 26318696.1000 27442738.7900 27657884.1900 32111102.6900 28465080.4600 31590391.0600 31906702.0100 31414022.4300 30204993.0900 30563666.6800 31423197.4900 29144884.2200 32952303.8600 32466527.4700 30821640.6900 32714899.7400 33829670.2800 33278668.8200 33604813.7000 33059107.7100 30292250.9500 aspartate Aspartic acid 307720331 321666943.7100 312381093.6800 326736106.2600 312095440.7500 311321803.4700 301381022.9500 328547229.8000 333379511.5700 308950532.2400 306333808.4900 308044394.0300 597863134.0300 627736798.7700 592665207.7500 572278016.4400 574970787.0500 578438542.3000 638649300.2400 603196524.5800 563363678.9700 589043975.3500 596083269.7600 580134535.0400 aspartate-13C4 Aspartic acid 812855042.8300 796782968.1500 812168920.1500 794725634.6800 812263870.9400 796054794.9500 781743496.7600 757173848.0600 769633202.2800 944108898.3900 764012683.5500 770935302.6200 608943587.7200 624773048.1700 623553431.1000 644926754.9200 633841715.3800 658605640.1800 619043903 657072713.9000 628423336.9000 645645107.7100 663987743.0400 594739123.3600 asymmetric-dimethylarginine Dimethylarginine 2409020.4600 1490689.6400 1443399.7300 1526496.1700 2018109.7200 1959145.9600 27644752.5400 30301681.0400 35358055.2200 32073611.8400 30572969.6700 31214036.7000 7956965.9000 2450220.9800 2891535.7900 1717122.2900 1636520.9800 1633580.8500 26712649.0800 26784858.4200 22504570.7000 24519085.5400 24272979.1600 22192097.2600 asymmetric-dimethylarginine٨_1 Dimethylarginine 5578020.1300 5473984.6400 5980647.8100 5411646.6600 5868516.7500 6019916.3600 6364129.8900 5650861.2600 5924648.5600 5882247.8300 5889050.4900 5640872.3400 6886770.4200 6482545.6000 6218272.1500 6098151.1700 6027446.6400 6607133.6800 6079427.5800 6057486.4100 5911779.2400 6146754.1300 4942997.2600 ATP ATP ATP-13C10 ATP 108554.3100 139038.7700 173755.2100 62599.9400 98839.4400 189346.4200 130176.7700 42356.1700 beta-Alanine beta-Alanine 11451276.2900 583121.5400 429882.7500 498430.5700 986502.9100 597776.2500 3871834.8400 1179471.6600 5172580.3100 3478506.9200 173413551.3700 191664058.5400 188634349.2800 180714827.8700 168422855.6400 150698562.6700 205032340.3800 191265603.6200 169568800.7000 170952658.3600 175908178.1000 189103386.8200 beta-alanine-13C3 beta-Alanine 20917233.9000 19102054.9300 21512230.9900 20745134.0900 23289038.0800 21636809.2000 27636798.9800 20194824.4800 24731862.7500 24405910.4100 23938189.6100 25061572.0900 20790541.3500 21048382.6700 21957754.0100 22930810.5300 24619298.9100 20226910.0500 24049232.0200 22349706.8500 21615555.9900 21038834.9600 22503416.0700 20535544.8400 betaine Betaine 83619473.7500 39284333.2000 37847561.7600 37698615.3300 35662047.4200 40528325.8600 40638422.2400 142556148.2800 53993001.6000 45441744.2100 40696717.4800 35411816.8100 26945864700.9800 28429160683.5000 703.6600 676.1500 679.4200 608.8300 744.5500 745.1000 700.2400 685.5800 691.6900 739.1600 betaine-13C5 Betaine 597473.8400 1409532.8100 416438.5200 937378.2700 989124.7300 888328.2300 1910132.2100 762318.9300 1441699.3400 593959.8300 216660.3700 264422.4800 biotin Biotin 56371166.8400 60808801.8500 62846830.6500 60793145.5500 60322067.0200 59471417.6500 56875552.4600 56515842.4200 67542837.5400 54436820.3200 52172177.7400 55960107.1700 10909628.4500 11568086.0100 0.3200 0.3200 0.3000 0.3000 0.3200 0.3400 0.2900 0.3200 0.3000 0.3100 biotin-13C10 Biotin Carbamoylaspartate Carbamoylaspartate 149635.2900 103133.4100 36324.2300 151861.0900 174386.7700 80040.3600 3999201.8900 4035566.5400 4938985.7000 4300478.3300 3945701.4700 4378973.2300 13659644.7300 13408862.8000 12706559.3800 12731178.2000 13358185.2000 13425051.8500 14063608.4500 13957036.8600 13199722.4200 13916728.1400 13229443.7100 13882500.2600 carbamoylaspartate-13C5 Carbamoylaspartate 1175389.7500 1173182.5600 1359476.6500 1196739.0300 1252247.2000 1295091.2500 1271821.0100 1132224.4100 1127200.9500 1306206.4900 1126827.3000 1062862.1900 608066.3500 428616.3600 437183.5100 677379.5600 614776.1800 448843.7400 328286.5600 690159.2900 661703.3500 518870.3500 645245.5100 651280.1400 carnitine Carnitine 12776418.0900 7885431.4800 6930975.6200 6886290.0300 8009787.4100 7904750.5000 8936922.9900 30743507.8700 9664412.5500 10222803.5500 9943671.7700 9327206.5000 15308157658.4900 16144612001.6600 14369857484.5600 14062310328.2200 13988675358.4600 12810528884.2600 17067070788.6500 15338925670.2700 13915543374.5000 14849752872.4700 14793154143.1100 14291815763.0400 carnitine-13C7 Carnitine 5811216.9200 6120342.0700 6458912.9700 5673663.1600 6104675.8300 6739638.6800 6584460.8700 5942956.5800 5787075.5500 6536656.7600 6112604.9900 6076872.5100 7187005.5600 5972588.5100 7343014.6200 7052768.2500 6549745.9100 6171506.3600 7622558.8100 6917527.5100 6359841.0900 5721356.6700 6706352.7900 4758182.3900 carnosine Carnosine 217519.2200 213322.3400 759083.2600 23756354.3600 23928289.0400 0.0400 0.0400 0.0400 0.0300 0.0500 0.0400 0.0400 0.0400 0.0400 0.0400 carnosine-13C9 Carnosine CDP CDP CDP-13C9 CDP CDP-choline CDP-choline CDP-choline-13C14 CDP-choline choline Choline 1272665341.6500 1265314532.2400 1353846932.9500 1364831089.8300 1319617653.0200 1332953800.9600 923717995.7700 1385846954.6800 922890796.5600 879496517.8500 835431346.4800 855702847.6400 16899490747.9200 18264501850.5600 17.8600 17 17.2800 16.9100 26.2600 23.9900 22.9600 23.8900 23.2000 25.7700 choline-D9 Choline 669372379.1300 669480301.2000 751519033.6200 689596104.8600 724338347.3700 717834234.2300 727989834.3700 669591076.1400 703749821.6700 710474453.3500 690017918.8900 672092539.5000 895539048.1500 924660622.1500 cis-aconitic-acid cis-Aconitic acid 2868253.1100 685690.1000 633033 1087748.2200 840037.2800 568436.4200 20555888.3600 25018305.6800 25470269.1000 22109909.9700 21081305.1000 21903242.0300 231558516.3800 245178160.7200 221325526.8800 215509624.4200 220368175.9400 204475457.8500 306014507.3600 278304335.3300 254800414.7400 267989811.6000 277063946.1900 269352511.9600 cis-aconitic-acid-13C6 cis-Aconitic acid 7205560.9400 7148245.8600 7993147.5400 7273688.6600 7460616.9800 7567063.4300 7514537.7500 6892893.0700 7347977.5900 7343188.8300 7658118.4700 6534002.6400 6045645.3000 5742070.2900 5715427.9700 6140512.8600 5706412.9400 5598646.7100 6091156.9000 5392281.1300 5410818.4500 5687334.0300 5929647.4700 5382678.5900 citrate Citric acid 84609404.0800 25285038.3600 19291835.9000 119028432.3200 17979772.7000 17530429.3800 446308572.5200 465893577.6500 540934600.4300 501168465.7700 510257777.2700 509335878.6900 3336086608.5900 3152705704.7000 2994321986.5000 3418338122.2700 3487143557.9500 2871057940.0300 3196847141.7000 3077349382.9600 2956390117.6400 2970199106.1500 3030514993.2900 2978678795.9300 citrate-13C6 Citric acid 347671957.9500 349953218.7300 405604751.8600 365906853.6500 389740328.3300 378002131.9600 295711990.4100 259809593.7000 266438454.5600 283266753.0600 281028444.7100 271955092.4300 115605329.7800 111130233.3600 113945618.7700 117845257.0300 117777714.6000 116469794.4300 105025857.7300 107044535.7500 109825089.7800 106613418.5700 109421547.8500 103024581.3100 citrulline Citrulline 40754931.7600 10428901.3100 9705999.7100 8552040.9900 13147945.0400 13119711.6300 11064771.5200 53423028.6200 12910467.5700 16247178.4800 18262212.6300 13506125.9000 2084601101.5600 2159348522.1600 2022929844.2200 1974941109.5500 1956398026.0200 1942259618.0700 2139194964.4100 1985444556.9500 1913767875.5000 1941552163.0100 2001807515.4100 1936163578.2000 Citrulline-13C Citrulline 772216904.1700 774769061.8100 802350312.5100 771582613.4000 783188509.6700 779564814.8200 816447870.4000 767165456.1400 802905511.0800 793015130.6300 785954645.0100 754523852.2900 520799773.3800 516510404.1500 521354500.2800 544258157.9600 534768536.3800 544850757.2600 541193223.7600 546776762.9800 558426349.3500 552596424.6000 570973293.9700 502768059.6200 citrulline-13C6 Citrulline 772216904.1700 774769061.8100 802350312.5100 771582613.4000 783188509.6700 779564814.8200 816447870.4000 767165456.1400 802905511.0800 793015130.6300 785954645.0100 754523852.2900 520799773.3800 516510404.1500 521354500.2800 544258157.9600 534768536.3800 544850757.2600 541193223.7600 546776762.9800 558426349.3500 552596424.6000 570973293.9700 502768059.6200 CMP CMP 4747736.5700 4861704.1400 0.0100 0.0100 0.0100 CMP-13C9 CMP 40066.0800 74511.1800 53465.4100 42353.8700 CoA Coenzyme A CoA-13C21 Coenzyme A creatine Creatine 3519960971.2800 15610725.2600 12894658.8000 16404489.8500 22005751.6300 15770614.1300 17178458.0900 1159329851.9200 23035969.7200 22897414.9500 22748826.5000 20342164.8200 138792263012.6200 138822059860.6200 205.1500 168.1600 203.7000 190.3700 248.6000 191.7300 215.1300 221.7100 219 235.5700 creatine-13C4 Creatine creatinine Creatinine 231097988.6000 18721205.3300 12677915.3500 12575837.3400 13121603.3900 13443295.9900 14821720.0800 90872695.0500 15221102.9800 13774383.3000 13496641.7800 13012383.9300 5548809172.3300 6077199982.9500 5407232698.7500 5351270314.8000 5348348762.5200 4940212540.7000 6882423730.6000 6265104704.7500 5742438261.4600 6063148753.2900 6111409173.5500 5872237776.1900 creatinine-D3 Creatinine 1221018142.9000 1268980682.2500 1344045674.5600 1245285182.6500 1306748788.7000 1282835675.8000 1326984092.6300 1202465128.0100 1297975966.3500 1287267409.9500 1258594282.9400 1234579227.5100 1265240778.3000 1324322981 1265219827.7500 1333318698.3200 1301090089.8800 1253834305.2200 1318429169.0500 1269595604.5400 1245199606.8500 1236619933.0800 1276696064.2900 1146864355.3400 CTP CTP CTP-13C9 CTP cys-gly Cys-Gly 2071735.1000 1474275.2900 1584950.5200 2086911.2500 2021441.6400 2177776.6800 2167784.6900 846670.0200 1419006.3800 1737000.8100 1624750.9900 1260655.8900 2435349.4000 1998765.0100 2060473.4000 2245917.1600 2344692.8800 2059752.5500 2210879.1400 2221233.5100 1655788.7600 1380553.7500 2014599.9300 1626980.0600 cys-gly-13C5 Cys-Gly 176475.9600 175586.4100 69208.3100 68183.6400 234280.4900 214899.4000 100014.1800 153494.3800 111966.0800 Cystathionine Cystathionine cystathionine-13C7 Cystathionine 10442057.8600 10715563.3100 11150842.2500 10335046.2000 10730436.4100 10245407.5900 12665971.3300 12158033.4600 12049672.3900 12045416.3700 11562660.6700 11730476.2000 13596058.0900 14336126.8000 14349585.8300 14344074.8400 13685570.8100 13904878.0400 13014093.3300 12865992.7000 13193003.8500 12607942.1200 13843042.4600 11328512.6800 Cysteic-acid Cysteic acid 33364.9600 39741.4400 cysteic-acid-13C3 Cysteic acid cystine Cystine 88851276.7000 123578242.9700 93078102.3100 104609233.5300 98119223.4200 89055995.9000 181079555.5400 197439975.7400 208063764.3600 182687364.1300 180760417.3900 174361056.4400 26875853.0800 25926019.8300 26052556.6900 24790630.6700 23457877.1000 23590394.9500 24617588.0500 21233029.1700 19945936.7800 21230928.5200 21491874.1800 21020862.5200 cystine-13C2 Cystine 5824560.2800 7531050.0100 6116792.9100 6605490.3000 6168607 5576941.9300 15108113.3300 14688967.0400 15810069.5100 14725488.1100 14482664.0500 13007356.6000 17198438.3100 16674822.5200 17262614.5200 17712014.0700 16382489.8700 18451808.3500 15352117.4200 16325012.5800 15060510.8600 16039937.7600 17019213.7600 14586107.4300 cystine-13C615N2 Cystine 5824560.2800 7531050.0100 6116792.9100 6605490.3000 6168607 5576941.9300 15108113.3300 14688967.0400 15810069.5100 14725488.1100 14482664.0500 13007356.6000 17198438.3100 16674822.5200 17262614.5200 17712014.0700 16382489.8700 18451808.3500 15352117.4200 16325012.5800 15060510.8600 16039937.7600 17019213.7600 14586107.4300 cystine-13C6-15N2 Cystine 5824560.2800 7531050.0100 6116792.9100 6605490.3000 6168607 5576941.9300 15108113.3300 14688967.0400 15810069.5100 14725488.1100 14482664.0500 13007356.6000 17198438.3100 16674822.5200 17262614.5200 17712014.0700 16382489.8700 18451808.3500 15352117.4200 16325012.5800 15060510.8600 16039937.7600 17019213.7600 14586107.4300 cytidine Cytidine 2972457.6200 2466914.3700 2445138.1400 2340455.7700 2397138.3300 2285634.3000 8247508.4800 8825035.2600 6696496.6400 6888156.6400 6161171.4700 6424748.0500 608106819.6400 639945810.4600 9 8.5900 8.8000 8.6300 9.9800 8.7000 8.8600 9.0500 9.3000 9.5400 cytidine-13C9 Cytidine 391743.7700 166977.3900 204921.5000 247747.2200 218993.7900 164719.8600 132380.9100 308106.8700 198688.4100 308917.5800 dATP dATP dATP-13C10 dATP dCTP dCTP dCTP-13C9 dCTP deoxycytidine Deoxycytidine 180165.1000 100991.6100 194505.4100 128007.8800 65717131.0100 64271926.3000 77323153.1400 70361542.3300 66394920.0700 68297024.4900 96143040.8100 101196347.6500 89110783.7800 85949146.0600 84627673.2600 80047849.1300 51537525.6400 44866459.2500 43649293.3700 44591056.8100 43385970.4000 42926342.2700 deoxycytidine-13C9 Deoxycytidine DHAP Dihydroxyacetone phosphate 38026.3200 49792.5400 30951.4400 38980.0200 3264957.8300 3058279.3600 2957653.5800 2819093.8100 2706469.1900 2562836.3000 1068858.7800 907449.1500 823724.9000 954112.4200 1052480.7600 1020680.5300 DHAP-13C3 Dihydroxyacetone phosphate 32796.4800 dimethylglycine Dimethylglycine 187462283.0200 293236044.2800 196904530.1500 195578854.3900 243613471.7000 177756517.6400 134434025.6000 186614869.6100 131511247.3300 193305931.5400 98546433.3600 292198799.1400 311568338.5000 245300222.3200 257650129.8800 206978811.2500 176191130.7500 293504017.7200 238859431.7500 170025751.3800 211745635.8800 185302307.9100 104726190.2700 dTMP dTMP dTMP-13C10 dTMP FAD FAD FAD-13C27 FAD folate Folic acid 5425371.4700 5321341.2400 5798491.5400 5512183.8600 5443723.4300 5743264.9600 5564403.7900 5248433.8200 5671674.9500 5471364.6100 5407176.9000 5490739.8800 folate-13C19 Folic acid formyl-methionine N-Formylmethionine 183176.4400 199161.8400 191705.1900 182053.4000 241599.4800 200999.9800 242337.9700 299139.5700 306722.7300 391502.7700 406730.9600 346596.7800 3398952.3600 3477523.8500 3048111.6900 2923624.7900 2794458.4100 2671981.2600 1809290.4300 1670012.3300 1653010.6700 1575003.7700 1421415.6000 1412154.2700 formyl-methionine-13C6 N-Formylmethionine Fructose Fructose 2163531.5500 1874014.3100 2132941.7100 1922715.6100 2210638.4900 2858670.3500 2352720.6500 3039818.3900 3005401.0800 3323689.4600 2766026.0600 516026.8800 1113825.1600 0.0200 0.0300 0.0200 0.0100 0.0600 0.0500 0.0500 0.0400 0.0500 0.0600 Fructose-13C6 Fructose Fructose-1-6-bisphosphate Fructose 1,6-bisphosphate fructose-1_6-bisphosphate-13C6 Fructose 1,6-bisphosphate Fumarate Fumaric acid 129268.0100 748542.3400 178824.3900 266371.9900 257181.5100 99620.7700 178949.7700 187610.7300 484586.4900 126272.2600 305648.0800 383362.1300 1105880.9500 799050.0300 1025198.2000 939792.0700 491572.1300 976996.4500 948427.6400 1176358.2800 771386.8200 678940.1200 968154.3600 653012.2300 fumarate-13C4 Fumaric acid gaba gamma-Aminobutyric acid 68527373.8500 20650150.3800 105220111.5400 101825786.5100 65480692.3800 53418824.1800 129667338.8900 137858005 126832243.6300 128387373.0700 134928190.5500 1154883925.2000 1094982099.2000 1048699309.2600 996775845.6700 1087262740.9000 962947116.8200 1229195990.6300 330072846.4300 1044283209.2000 1059181538.3100 1163880129.1600 1046181630.4400 gaba-13C4 gamma-Aminobutyric acid 85316595.0900 85876778.4000 97137768.6100 86704613.6500 95350811.1700 89210479.6700 98205753.6700 90051784.0900 97224886.0500 99691409.2200 94849876.8000 92181014.1600 81654779.1600 83437041.2100 80170696.4300 88207193.5900 83587661.5000 86888239.7100 83199182.3800 81749873.5200 81098012.8100 82487243.6000 81473584.1600 69898466.9000 gamma-glutamyl-alanine gamma-Glutamylalanine 4315353.0500 3390130.7700 4095141.1300 3994456.9100 3864747.6000 3558480.8500 23235619.4600 18968680.9000 17678389.3200 19617972.0700 20109274.4600 18855088.6700 gamma-glutamyl-alanine-13C8 gamma-Glutamylalanine 9623294.7600 9274989.1300 10395019.4700 9263755.9300 9505372.7800 9256993.5000 10846668.2200 9874015.5300 9840336.8800 10287356.5300 9431062.0200 10092544.6000 18469260.8400 20000640.8800 24381530.1100 23261143.6100 19422564.5800 14294339.3700 18802085.2400 17744571.6900 17186960.2100 36773269.3700 20055029.1100 14988152.6600 GDP GDP GDP-13C10 GDP Glucose Glucose 448779937.4800 458423982.1500 471858278.1300 468987945.3400 462456489.4500 462947983.0100 332076108.3700 335179244.1500 335277281.8400 322496360.4300 311370176.1700 310226479.5800 178532184.2600 184616435.9400 170401095.8200 168575771.6100 164800491.4700 154722443.5400 63952340.8800 51717644.9900 58452495.0800 54965047.9100 53054781.5000 61094661.6200 glucose-13C6 Glucose 18531609.8000 17544009.2600 19281833.6700 17905452.4200 17395275.0200 17837284.4600 19009173.9300 18513715.3700 19079033.9800 18867327.0300 18422949.8600 18478711.1200 18012573.5100 17916469.0100 17612718.1100 19131222.9800 17913045.7500 18115298.5500 17358316.2100 18683980.6800 18602517.4300 18359918.2100 18668571.5600 16213211.9400 glucose-1-phosphate Glucose 1-phosphate 26914.9000 1330194.7400 36829.8200 13850399.1700 14899520.0200 0.0200 0.0200 0.0200 0.0100 0.0200 0.0200 0.0100 0.0200 0.0100 0.0200 glucose-1-phosphate-13C6 Glucose 1-phosphate Glucose-6-phosphate Glucose 6-phosphate 367921.9200 113306.3100 226302.7800 82993.2900 56222.4100 69100.0600 31243.7100 39097510.8600 39907711.2300 36939786.5600 36424734.6600 34759460.2800 34380310.8400 34817026.7300 31835237.7100 29505516.9400 30434905.1400 31775356.9200 30383351.1300 glucose-6-phosphate-13C6 Glucose 6-phosphate 563434.7600 587845.6500 828444.2900 562635.7100 544339.6400 600096.8500 540175.9000 508288.2600 743056.9900 596224.4300 587086.7400 683601.4800 451671.7000 388064.3800 424346.3600 425408.7100 379488.7300 380475.7100 411791.6500 423057.4400 380080.0500 431936.4700 438511.9700 434724.3200 glutamate Glutamic acid 203168477.6300 207422718.0600 211738973.8700 217880149.9200 206769302.4200 211720790.8500 307225753.1900 338536962.8200 337196590.4400 303521870.1500 306289574.0300 309795565.8700 1031239573.0500 1146668866.1200 1026483629.7800 998555749.8800 991963982.0900 964029208.3700 1254739574.9400 1220021465.5300 1114063987.5700 1162029340.6700 1193534782.5100 1133697583.4800 glutamate-13C Glutamic acid 817594262.2300 785075344.2800 749899330.9400 796349307.9600 629108446.1200 654996924.3700 688983606.3100 657752907.1500 318385496.5500 589744716.3200 291652960.8900 184708040.9700 glutamate-13C5 Glutamic acid 846775385.6500 838614321.2100 899294371.3800 856710439.4800 867234841.2600 864124273.1400 824256564.7100 788996468.6500 794103716.8300 796323481.6400 801025310.2000 765898112.2700 555203982.8300 564686549.7000 glutamine Glutamine 27258370318.5500 28087067920.8100 28649041676.2100 28214959350.8800 28045444448.4900 28030058558.5600 19852251800.8900 19943957606.5400 19855759425.1900 19154850815.9000 18569690260.2600 18603666858.7800 13129098450.4400 13377011926.5500 12768454267.1100 12484957806.9300 12192746367.1500 12181951467 10601426552.2300 9636874465.1800 9512511968.1900 9538123058.2400 9680595508.7600 9665703745.4200 glutamine-13C5 Glutamine 3661323587.5400 3599620877.6900 3819551783.7900 3521321846.2400 3757325690.9100 3645576639.8300 4728117207.1600 4310415009.9500 4596590714.7800 4626407124.2200 4501456312.9700 4403571806.7000 4216108520.7100 4108316001.9400 4382287607.2900 4416131180 4235362220.3000 4396787298.7300 4477328649.0200 4682754674.4200 4734233110.1600 4508349886.2700 4866591929.6900 4322791048.3800 glycerate Glyceric acid 966570.8000 999207.4600 936262.5200 836818.7200 1028700.5000 893495.5100 1386150.2200 1975346.3300 1777515.7900 1431384.4300 1523185.4800 1543601.2400 12840677.1100 14014344.8100 12187360.3000 11865467.5800 11328828.3200 10455729.4600 19141626.9100 17148048.6300 16495735.4900 16340827.1700 16020753.6600 16189907.6000 glycerate-13C3 Glyceric acid 350040.4000 347823.3200 415386.7500 317566.0800 Glycerol-3-phosphate sn-Glycero-3-phosphate glycerol-3-phosphate-13C3 sn-Glycero-3-phosphate Glycerophosphocholine sn-Glycero-3-phosphocholine 200192112.7700 38404754.4600 40368742.9100 42938971.6300 40175726.9700 39346276.7800 253108415.8600 265906914.8000 191292346.0800 187753599.3700 157552980.2100 177666072.4800 4380027023.3100 4511583048.3300 4229260905.1800 4080492308.4400 3995753389.7400 3890471513.3500 4250029719.4500 3895424937.7400 3586419531.3000 3699073660.2300 3882692513.3000 3648853814.3400 glycerophosphocholine-13C8 sn-Glycero-3-phosphocholine 666380697.5900 732745336.5000 787551764.9500 729576608.8500 742328457.0900 737460873.1900 717355158.7100 621439057.4700 675986343.3300 679357015.5600 636703135.8900 636593577.1300 143194555.4700 136017621.2300 137786853.0700 145628097.5200 141789018.7700 141158656.8600 124896094.3200 118831048.7700 119566685.4800 113470863.8100 115795641.2800 106615626.8700 glycine Glycine 19815726.9900 20154481.8300 20893196.7700 20403705.3000 19440990.6400 19866464.7800 15786155.1100 37122188.0300 16084488.5800 16105731.3900 14689808.0700 14044734 288129829.0100 302477953.2600 279392475.1400 277427547.8300 271633348.4700 254870514.1600 310949896.4700 294528493.6200 275719039.0200 285311908.5400 286195123.4200 280912509.7700 glycine-13C2 Glycine 246692113.5500 252430650.3800 260253893.5400 241712442.8500 268791760.4300 257058076.8000 273943442.1700 256007723.8100 265178828.3300 269586127.6700 269319799.1500 251572827.7200 194259512.6700 195951611.6800 198052403.9900 201877364.3400 201213871.2300 201923100.6000 205699271.2300 195665460.2000 194966694.6400 196464872.1100 198109590.4200 181833414.1200 gly-gly Gly-Gly 510461888.4200 538454419.3800 544405207.9400 549896061.3100 519501758.8300 541530628.4600 526281924.8000 537221089.7900 547526746.9000 520012381.6000 502037840.0500 506531095.6700 172460947.8300 184974212.4900 177476348.1300 158688854.0300 162956911.9300 159532863.1700 193886757.0700 178445223.9200 169602466.7100 164811370.3900 173652624.9400 170480324.5800 gly-gly-13C Gly-Gly 32949939.3800 28354991.6200 34789911.9100 30838892.5400 32298806.3200 32438064.7900 38419902.0700 32353163.1600 39937368.8200 38135881.2000 37070665.3800 36299927.5500 31870996.0300 32040910.8900 30782705.6100 35426952.8000 33815475.6000 32364184.8800 34222337 37549207.2300 35717001.0900 35245640.1000 34076685.7300 31434361.1100 GMP GMP 1171961.1600 1227407.0300 GMP-13C10 GMP gsh Glutathione 5595859.0200 3058137.5400 14451273.2500 14487577.0200 0.0300 0.0200 0.0200 0.0200 gsh-13C10 Glutathione 4367471.3800 4524518.5700 4796557.9700 4362373.6000 5089798.3300 4716716.1600 5055599.5400 4517754.4600 4492080.2600 4480761.5900 4639224.3200 4523333.8900 3136768.8700 3434313.7900 gssg Oxidized glutathione 80243973.4200 79435829.4100 67745428.7200 56849097.7300 54564959.7900 48933024.2700 75972327.7800 58368737.5700 49360317.8000 51586279.0200 60823001.3800 54688528.9100 gssg-13C20 Oxidized glutathione 6051300.9600 8303554.6500 7948796.1700 8935318.7800 7673327.5500 7363922.6200 11000617.0500 12263716.9800 12543764.9300 10772888.7700 10849485.2500 9996276.7100 17220007.1800 16182561.2500 15115874.9200 13319162.0600 12606743.9700 11390762.0100 16491783.2300 13380677.2300 11907819.2700 12202238.7500 14944752.6800 12204840.3500 GTP GTP GTP-13C10 GTP Guanidinoacetate Guanidoacetic acid 353944.7100 3092039.3100 2991924.3500 2747869.0100 2620830.6400 2970105.7700 2620193.0400 318940750.3800 332723593.7300 310937315.0200 309132554.8400 310088134.1500 286346106.9800 359305673.6500 335215761.4200 316943464.0700 324148768.4800 324723865.4100 323351095.6000 guanidinoacetate-13C3 Guanidoacetic acid histidine Histidine 4532750163.2400 4586050096.0900 4605460358.1400 4664597635.2200 4498602246.6800 4649398151.0800 3906114520.9400 4647265403.6300 3965870812.9100 3829841770.6400 3777412974.9200 3799783803.7400 2875401863.1800 2915279295.5000 2881963853.9200 2747015258.5100 2754266172.7000 2290661920.3000 2210382984.3800 2754186103.9700 2677445976.1500 2755596687.0100 2772479736.4900 2753951275.0800 histidine-13C6 Histidine 1195156806.3600 1203073550.3900 1268753356.2300 1158320260.4400 1215089707.0900 1259919614.3000 1345207261.9700 1104636126.3800 1225469462.0900 1284389230.1600 1268803323.5400 1278565006.5800 625979291.8400 589785277.8200 homocitrulline Homocitrulline 22909063.2600 24963240.8800 24011807.6200 21347810.1800 23948997.3500 21176590.9200 17999477.3800 24092081.7800 22381029.2900 22698509.6700 25382053.3500 24636581.3100 homocitrulline-13C7 Homocitrulline homocysteine Homocysteine 113932178.4700 121421647.7400 120022317.7000 119773740.5900 116080401.4800 117011988.1900 90832790.9400 89839683.5100 92091414.9500 86216752.2300 83502549.4400 85686396.9200 56240220.1100 70036134.1900 66108792.5200 58499379.8500 53980587.7000 58674069.6800 63418753.0900 57187690.4700 50690125.9900 57766948.6400 53624685.4800 55503896.2000 homocysteine-13C4 Homocysteine hydroxyproline Hydroxyproline 5278679259.1400 5652719532.2700 5686190688.2900 5592456016 5543257441.8400 5596996861.9300 5442640345.0300 5237741110.3500 5724257018.9100 5390742367.7100 5214401634.9000 5330004108.1900 hydroxyproline-13C5 Hydroxyproline hypotaurine Hypotaurine 14594387.8400 16273807.0600 14749835.5600 14794921.5600 15983382.9000 13506090.6800 17238819.6500 17895529.3900 14282086.2400 15180493.9700 13905162.8100 14395448.8400 hypotaurine-13C2 Hypotaurine hypoxanthine Hypoxanthine 169728549.5200 1997804.1000 2115856.1000 1194825.9500 2503697.0900 2027416.0700 23676976.8600 97033731.7800 18576992.4700 19821567.8300 18538386.7700 18116613.9900 10136131785.3300 11170340760.9200 10294064176.6300 10167665720.6900 9767801346.4000 9765102730.2700 13393429938.2600 12345914717.9600 11501985453.3800 12320680902.5300 12375998504.7600 11895112204.7700 hypoxanthine-13C5 Hypoxanthine 699101539.3200 725221521.1400 772228543.1400 717940159.6700 741332279.0700 731122689.6700 696552271.0900 631970226.7200 684287782.0800 684686671.5500 671288731.1700 648917779.6800 500778607.6200 511305052.3600 505172617.6900 531717258.8900 519003889.7300 525958067.3500 453704412.5400 473877926.3000 473876170.1000 467307659.7500 484784051.2500 429050811.1600 IMP IMP 452788.5500 440397.4100 957535.0100 IMP-13C10 IMP indolelactate Indolelactic acid 1268848.7900 875425.3200 1271935.7600 1293805.0500 1374349.2100 1401097.2000 1308295.5000 1382248.9100 1390334.7500 1478055.4800 1218247.4400 1200448.2800 3024264.6800 3176023.8900 2854719.7000 2793702.6100 2671198.8400 2709414.3800 3148790.5200 3188525.1700 3172450.7100 2940359.5200 2973633.6300 2760034.3500 indolelactate-13C11 Indolelactic acid 782164.8000 183741.9700 445207.8500 995912.1700 611720.7900 850534.3500 800977.0100 1121091.3700 1049543.2300 127609.6600 661941.6000 888180.4000 210710.0100 341081.8500 268365.6700 194042.9200 155718.2100 197224.8900 500818.7500 1029109.4300 269853.8600 971592.0200 882446.4700 711901.7100 Inosine Inosine 1278457.0700 313736.1200 11798504.0100 616062.4300 447705.1900 280902.5500 578765685.9600 625551541.7400 567963385.7400 574599927.1900 538869618.1800 539136501.6700 339634046.5500 289792300.5400 295719605.7700 299051191.3800 285518313 290830614.6300 inosine-13C10 Inosine 607091.9200 207641.1900 274333.8600 250516.5500 317952.2700 648785.9300 isoleucine Isoleucine 11265669210.5300 11759841287.3000 11945448852.1700 11957391110 11856841276.7100 11814135472.4800 9557775655.0700 10151648392.5000 10060200391.7900 9216690363.8400 9044108659.5300 9170024569.1700 4796362135.1400 4998021421.4900 4597417423.5300 4433488450.0700 4534257896.5200 4256078184.1300 4580756882.6500 4169088727.3000 4066793290.1900 4166807711.0300 4121878012.9600 4142665620.3600 isoleucine-13C Isoleucine 42703332.8300 45419566.0400 48460960.8400 42091456.5700 48324744.4000 46304516.2500 46005409.5600 40869051.1400 44881548.1700 45908737.6000 44154981.5800 43619940.6600 46254937.7600 39340291.8500 43218975.2000 43372103.2000 42523589.4000 44033950.4100 46924675.8300 41795514.8200 43269144.9500 42798857.5700 47271352.6500 39790496.3300 isoleucine-13C6 Isoleucine 42703332.8300 45419566.0400 48460960.8400 42091456.5700 48324744.4000 46304516.2500 46005409.5600 40869051.1400 44881548.1700 45908737.6000 44154981.5800 43619940.6600 46254937.7600 39340291.8500 43218975.2000 43372103.2000 42523589.4000 44033950.4100 46924675.8300 41795514.8200 43269144.9500 42798857.5700 47271352.6500 39790496.3300 itaconate-13C Itaconic acid 808672.1100 934930.6500 1149890.9000 1042117.6300 1033205.4600 1048617.5700 1060440.6200 875499.8500 931255.7600 959176.1900 886818.2300 845944.3900 439583.6000 443468.7400 453290.9800 523058.4300 538964.2400 467526.9400 568452.8200 613746.4700 593870.5700 409303.1500 425207.3200 itaconic-acid Itaconic acid 1350539.8400 478923.3900 570260.5800 439137.7800 748877.1800 685731.6600 22636080.7100 1752128.3700 1191929.8900 1589284.8600 1405993.7600 113819164.6000 126340413.8000 108203884.7700 107114598.9800 107931383.1800 99314545.1000 139693724.1700 126100771.4500 112305139.4500 116680899.5100 117584050.9900 114099680.5200 Kynurenine Kynurenine 9998468.3200 9784030.6600 9349775.3000 9975380.6000 9217186.5800 9242063.3300 8555526.2900 11665262.7800 9599509.6300 8160584.5700 8206431.8600 8145156.0800 39050179.4400 41105460.9700 36215878.6400 36533223.7500 35552535.5300 32152067.4800 40251159.0100 34995376.5900 32603095.6900 33103310.8200 33914664.0300 33082754.2300 kynurenine-13C10 Kynurenine 44120185.8800 45464932.4000 49465939.1400 45106732.5500 48417503.7700 45348080.7600 42737554.8500 40152308.6400 42662996.5900 41138341.7800 40054015.2400 40380296.7700 33344353.6200 31166025.5400 34527714.1000 34958267.1900 32487241.5300 31716391.4500 32093192.2700 32253350.9300 31157875.5400 31920019.0500 31420253.1200 27176349.2700 lactate Lactic acid 19758883.1800 7420294.8200 6382081.8200 6176093.3300 8362028.8100 9314615.5500 2213609101.9900 2317391548.8000 2837149120.4300 2482819422.9800 2402646994.9700 2543386197.9000 1613935928.6300 1743842322.6100 1531364845.9000 1520074464.4300 1458829755 1278481202.8000 4255280177.8500 3932972390.1400 3442062854.0500 3722265766.0100 3675450031.2200 3446015666.8400 lactate-13C3 Lactic acid 816510827.7100 811116532.1500 886634247.1500 816913718.6000 854228479.7100 859102889.9800 920941810.6100 813497703.9800 900913365.1900 905990635.4300 846701379.9600 863634766.6000 939852240.0800 978791970.1300 916124109.7600 970983575.8900 917687986.9200 827429835.1000 896063880.3600 858495854.4900 840865026.8900 848166663.6000 833778636.0300 761581715.6100 L-Alpha-aminobutyric-acid-13C4 2S-Aminobutyric acid 17358859.9300 16702322.4900 18422235.8200 17143531.8100 17004318.9300 17230687.1100 18117847.2300 15716938.2600 17670689.4800 17530136.6400 17170786.0400 16909481.5300 17522632.2500 17923833.1500 18011337.9900 17838494.1600 16506801.2800 16873058.4900 18021420.0300 17656599.3700 16385103.1200 16314807.1600 17529547.1800 15692699.8900 L-Alpha-aminobutyric-acid-2ߕ_4 337684045.4200 505642300.4400 172217857.7200 310781586.1900 332936279.6800 400450679.0800 167230538.9700 507691659.3700 260079497.3800 425691970.1800 331351504.4300 253118917.9800 609997371.1300 631207231.1900 636672108.3900 607895342.0400 646081684.5100 578975532.5500 611846450 629421509.1700 583314703.8400 623076878.2300 632554893.6300 606609939.8900 leucine Leucine 8532535912.9000 8957331504.7400 9476282791.9800 9164123452.5800 8934656619.8600 9055973732.6200 6400860775.3900 8057303795.6900 6571834975.5100 6147936029.9900 5917994713.4400 6018487358.4700 7297462863.0900 7799946181.0600 6944841956.2400 6944108585.1400 6644341364.6000 6192228248.2400 6935160483.2200 6121647749.5000 5642452953.8500 5946477267.1100 6087530431.0400 5779877122.6800 leucine-13C6 Leucine 36778848.0400 37145188.3100 40958173.8300 35902638.9400 36966165.5900 37510633.3200 39341761.3300 33920955.6500 35509436.2300 37216009.3500 37330637.6800 33618471.8800 35620141.6100 37256543.3400 35997745.3300 37103303.4900 35610512.5800 35771121.0400 36997167.5900 34254069 33278066.6700 35486500.6500 35564014.6900 32271804.7500 lysine Lysine 1038222220.5300 1066252678.3000 1090205236.0600 1101764148.9300 1059995196.9100 1079951632.8100 773542271.0400 809339811.4800 776677696.2200 749576963.1800 734140438.9500 716223723.0900 817954716.3000 858663053.2800 780859231.4800 742867124.4700 739804758.7400 704538669.9300 808750129.8900 739048035.0700 685734830.1900 729121555.6500 738950911.4100 721042385.2400 lysine-13C6 Lysine 134279205.1700 133403888.8200 142780796.3500 135057817.5300 137125984.7800 136693212.3300 146760601.3700 131865102.6200 137894491.1300 138714638.9800 138904471.6600 132086803.6600 154277826.5400 156868788.6100 150113162.3600 152356314.0600 146997322.2600 147901570.8600 151553214.7000 151839690.9700 147837965.9700 149096284.9100 152789867.8600 137331534.3700 Malate Malic acid 68588204.6600 4107341.0800 3019061.1500 37150216.4400 3380315.1600 2544165.3600 97716581.2000 114699720.3700 119779767.7400 102153835.5300 108794607.0600 125051714.4900 2293654299.9700 2431500569.3800 2191045155.3600 2061696379.0800 2275555948.9000 2125962296.6800 2369050437.9700 2159724770.6800 2127788404.7100 2243178948.2700 2173876685.4200 2012565491.2400 malate-13C4 Malic acid 408418388.4100 416096875.6200 437058743.4200 409176140.7800 425358822.2000 413348899.4500 427314904.5400 391715074.4000 402746321.5600 417523118.4000 411801656.9000 399786576.0900 333614861.6500 345167752.6700 328028765.8800 353179673.4000 343811899.1000 335489122.8200 332754645.3600 326619192.4900 328562547.3900 326841663.2600 329235872.4200 299918416.3400 mannose Mannose 128102.7900 104411.3900 184337.8300 237229.5500 75185.3800 148636.7800 80535.3100 mannose-13C6 Mannose 57428.5500 159202.0200 98305.6700 260615.9000 106956.8700 methionine Methionine 3522598758.8800 3720159189.4900 3750419691.2400 3719770273.6300 3723654352.0600 3670704695.1500 2988484433 3094062859.1700 3066644558.0200 2857663498.6400 2761411873.6300 2794888876.8200 3102298781.1900 3299089231.8400 2933767395.3100 2963494788.2900 2894177599.3400 2809579337.3700 3272949522.5100 2915891610.4900 2775401402.9800 2910632407.8300 2948566240.4500 2855674341.1900 methionine-13C5 Methionine 36378021.0900 38006361.3800 39555898.1800 37351999.5700 39445710.2500 37325958.6200 43129436.1500 38703868.3300 41346524.3400 41293923.1400 41503242.6300 39341085.9500 37991265.7600 40465311.0300 38671856.1900 39683094.6100 38199707.9200 40249037.5300 43061178.2500 37956382.6500 39460367.6200 39871849.7500 41731516.9200 38053198.8900 methionine-sulfoxide Methionine sulfoxide 73521784.1100 82144676.8400 81580626.7000 81597284.3100 78644561.3600 80813623.7700 76626201.6600 97494088.1600 85865420.8700 75321043.9500 74843541.0700 73432159.2900 129301123.6700 147278366.0700 123308352 123825966.5200 116786158.4300 114673957.8200 144165990.7500 128761438.6900 125544532.5800 122893667.9000 127581666.0100 115428201.4000 Methionine_sulfoxide-13C Methionine sulfoxide 225766640.8300 227186325.1900 244625538.8700 227377446.1300 234926813.2500 230892730.9800 245037502.4400 216170710.7400 239316029.3200 234765926.5600 227191999.2200 222510279.2000 254605487.8100 255827798 252339368.6500 257018907.5300 239776592.6600 247669843.5500 259427915.0900 254578041.5600 246495177.4100 244249285.8600 258953247.8600 227511403.8000 methionine-sulfoxide-13C5 Methionine sulfoxide 222691570.5700 223929970.3700 244625538.8700 224552523.7200 234770380.0200 227971595.5500 242050407.8600 215993378.1200 236609483.4000 234765926.5600 226937342.5500 219800549.3500 254605487.8100 254029904.1500 252339368.6500 257018907.5300 239776592.6600 245728951.8800 257963306.6000 254578041.5600 246495177.4100 246024068.5200 258953247.8600 227511403.8000 methylthioadenosine Methylthioadenosine 667612.1100 666427.0200 972838.0300 1078062.4800 725634.6700 1538146.0100 781914.1900 1877755.4600 487948.2900 290057.9500 methylthioadenosine-13C11 Methylthioadenosine 200544502.8700 203339038.2700 221177417.4800 209415515.2400 214992697.6200 210018963.6300 211878918.9800 194735968.1500 205284231.2700 213435429.1500 206141314.6300 201556627.4100 178850140.2300 185957882.4800 181952547.5200 192056059.8600 191596308.6200 186256336.7000 187749901.8200 190599705.8500 178890726.7100 182895048.4600 183267114.0100 162283987.6400 myo-inositol Myo-inositol 34017466.0500 34452997.1100 37149225.4900 36576746.7600 34341669.4000 36583217.7000 33538761.9500 33526004.1000 34661597.3600 32714705.3500 30031360.6400 31013270.1600 87087766.3200 94801967.3600 79925373.6000 78859607.8500 74575039.2700 66796127.4200 90123576.4100 75653116.2400 70593560.2300 75002743.3200 78329829.0200 73697840.7600 myo-inositol-13C6 Myo-inositol 35782.5600 N6-acetyllysine N6-Acetyllysine 3312888.6900 3125833.5300 2366428.5600 3437836 3537080.2500 2907489.5000 3939031.9600 5633874.6000 4302911.8600 5031388.8900 4233789.1600 3269563.2700 78195350.5000 78029736.0900 73669518.1300 68739473.5500 65339174.3600 63057211.6500 77954172.8700 69933437.5700 66356644.8900 66237006.4000 70071189.8000 67602173.5800 N6-acetyllysine-13C8 N6-Acetyllysine 15855429.4700 16003789.3100 16748631 15504862.8800 16083156.1300 15189327.9800 15412982.8100 14776020.1700 15187114.6500 15752016.2800 14658486.5400 15081402.8800 16168041.3800 18762544.6400 16867909.1900 17275717.5200 16595086.4600 16492225.1000 15930332.5900 15802136.0500 16521988.3400 16289561.3800 15515999.0800 15070960.5600 NAD NAD NAD-13C21 NAD 22738633.2600 23601556.4800 21634935.5600 22771580.5500 22567715.4800 23569122.7000 22527988.1900 22262675.8400 21068132.2500 20662843.4600 23759842.9100 20358011.2700 19374580.5900 15758067.4400 17599402.4800 13502686.7200 13456253.7800 14874596.2900 14699509.0100 13510988.5600 16262833.6900 15555699.6400 16604875.5100 15910227.1800 NADP NADP NADP-13C21 NADP 76977.2800 97338.3600 85753.9000 Niacinamide Niacinamide 853029370.0400 820134168.9200 846720131.9300 843501094.2400 812652789.6600 817703083.2300 746389324.4500 771719261.5000 822365185.9600 749806319.4200 750168213.5300 730677660.7400 3894260259.8300 3697454137.2500 3328158798.9900 3281676454.7700 3259777323.9700 3150042327.0100 3875117484.3800 3618904830.6200 3314084788.5000 3413671284.4400 3412496325.3200 3788497961.4600 niacinamide-13C6 Niacinamide 1344748940.7900 1380213977.0100 1488527977.0700 1565187314.4000 1424249996.6600 1389612527.0600 1428403068.7600 1330425228.6000 1410673124.7400 1410639998.1900 1364091505.7600 1330649952.0400 1228205836.6800 1231869136.8400 1211608595.5400 1269565411.9200 1236881064.0200 1246889661.2100 1252248063.0500 1273660293.7100 1217396456.6300 1223440145.2900 1239632817.9800 1302568958.8200 o-phosphoethanolamine Phosphoethanolamine 2508269.8900 120042299.5800 126707271.9900 0.1500 0.1400 0.1400 0.1200 0.1300 0.1100 0.1100 0.1100 0.1100 0.1200 o-phosphoethanolamine-13C2 Phosphoethanolamine ornithine Ornithine 1108962745.6900 1587895798.6200 1149228106.8400 1142464904.0500 1119106480.0500 1134571171.9500 2974098057.7000 3202938895.4000 3120276343.7400 2982502555.4100 2981848200.7800 2968575337.9400 2803372600.0900 2861438300.9100 2726657045.5200 2646763328.7600 2600006221.7100 2573206445.0700 2878572761.0100 2738111719.2500 2618690468.2600 2725032663.0700 2722132692.9300 2634127786.8800 ornithine-13C5 Ornithine 850131425.5000 746991347.5700 898157827.4600 817431234.6600 840836287.5700 836763692.3500 508663454.2800 438918040.3800 483136154.1700 495466242.4100 496627366.8500 475810738.5000 539455906.0800 541611315.3500 542276451.7100 563102122.2900 540392210.4900 584694558.3000 535355167.7900 538809367.6300 552778475.8900 557205700.7300 555588091.4600 490634495.7900 Orotate Orotic acid 176056 147115.1500 45908.7900 145196.5500 264045.2600 244999.3900 7319235.3900 7937463.9700 8981708.4800 8747780.3000 7682632.0800 8022668.4300 65468700.4000 67173825.9800 59988609.1100 58378220.3500 56717806.8800 52354159.5900 69890438.1200 63030735.9800 56983760.2000 59524783.9400 62088380.1800 59733646.2200 orotate-13C5 Orotic acid 4371354.3300 4452796.7400 4501042.6000 4539581.4800 4459390.9500 4295117.5900 4548983.5500 4356222.4700 4394482.4400 4561445.7200 4287251.9600 4142810.1100 4782781.8000 4651795.2200 4503181.4500 4539057.5000 4465907.0700 4480860.8800 4600275.9500 4550108.8500 4297234.4000 4523713.3700 4467380.4400 4172354.4900 Oxoglutarate 2-Oxoglutaric acid oxoglutarate-13C5 2-Oxoglutaric acid 58556114.3500 60383102.4200 61988977.5300 59181597.6300 62784076.9200 61921878.2100 56896213.5200 53032928.8200 54967730.9600 55993517.0700 55413584.8300 53192472.0300 50737009.8800 48926571.1500 48772631.1200 51719646.5500 51530702.0400 51170177.5700 42427924.5600 42280885.6000 43589015.3700 43185170.2300 43354415.2200 39580947.6800 p-aminobenzoate p-Aminobenzoic acid 974219.6600 444453.7800 209807.5100 429644.5400 1034713.0100 1668695.6800 831313.6500 473091.7600 838703.9200 584277.4800 739716.8100 103223.1100 p-aminobenzoate-13C7 p-Aminobenzoic acid Pantothenate Pantothenic acid 153176983.6600 162107515.7200 167568656.3600 164606360.2000 163756849.3000 164278264.8800 150114645.2600 147261027.1100 158054394.9100 145146986.0200 139076790.5400 140547808.1000 441532154.9200 474047135.0900 414266949.8100 407865176.6000 400451715.3100 395524048.2600 482589970.9400 433357133.1400 398606913.7300 411065354.4900 413231140.5500 398447909.0200 pantothentate-13C9 68247523.4600 70964550.6100 73348726.6700 70289100.3100 73065825.8400 71241071.2000 74723371.3500 66559751.8100 70514039.1300 70937926.6900 67946771.2800 65343883.5300 68346163.7500 71985939.8400 68767699.6000 70154887.5800 68370180.4900 66611316.7700 69959971.0700 69483685.1300 63824789.1000 65672535.5700 67705219.7100 59521081.1800 phenylacetylglutamine alpha-N-Phenylacetylglutamine 434627.2400 139829.9000 303756.5700 314874.0200 260834.9500 2538316.9800 765842.8900 phenylacetylglutamine-13C13 alpha-N-Phenylacetylglutamine phenylalanine Phenylalanine 2956736492.6500 3114982284.7300 3193019466 3134742208.3500 3096444199.6700 3084147861.5400 2248656720.3700 2299369287.1300 2221977288.4100 2120640141.6900 2044855025.8900 2078014206.1900 3101594659.5200 3363036373.5300 2971660801.6000 2940107921.9200 2888125905.7600 2770282156.8300 3403017830.1800 3028288544.8900 2809847420.6000 2954745389.7800 2943703093.8000 2898385779.5200 phenylalanine-13C9 Phenylalanine 27750203.6700 26483482.3700 28744474.0300 25177876.0300 25877468.1800 26505320.9700 28119553.3700 25729909.0800 28314688.2100 27624164.1600 27338683.0800 26561522.5400 31349137.8600 31538915.4600 31209355.6600 32699836.6400 31567689.6900 31604678.4600 33751692.4700 31732858.1600 32006283.2200 32162168.3500 32740417.0500 29839374.6600 phosphocholine Choline phosphate 48616583.3800 1362332.7800 1734703.9800 2058485.7400 1102824.1700 755553.4800 118425238.6500 197160068.6000 140201426.4600 119791876.8800 115888953.0600 116372684 13341299276.4300 13919847839.5400 12478570154.5700 11970465780.4100 11731835372.5600 11260835818.2500 10177882731 9234113726.6900 8529293242.9100 8904515562.1500 9339196602.3500 8460647039.8000 phosphocholine-13C5 Choline phosphate 13246790.4700 13572146.5000 14736633.8100 12991009.7400 13896743 13104611.0500 13592522.4300 13388585.0100 14002643.4500 14175390.6900 12849604.7500 13315008.7200 12910078.8300 13634714.9900 11349351.3800 14095454.4300 12644439.1200 12502442.6900 15266070.6600 13043587.4700 13070042.0800 12458379.2600 14240253.0200 11886764.9000 phosphocreatine Phosphocreatine 115519089.5000 115102520.0500 107237485.5600 105530470.8200 103493837.9200 111842627.6300 67217396.8200 62697265.5800 57731183.9300 60213006.4000 65361209.3600 58065634.3600 phosphocreatine-13C4 Phosphocreatine Phosphoenolpyruvate Phosphoenolpyruvic acid 41240.0600 30388.2200 35363.7900 2053968.1900 2530840.9700 2596365.7300 2116661.4700 2076952.6700 2090275.8000 142617806.0800 140105666.5100 127940772.2700 122574615.1600 116386235.6400 109002732.7300 102544941.8000 90066801.3500 81642019.9000 84975824.5900 88694192.5800 83951581.4900 phosphoenolpyruvate-13C3 Phosphoenolpyruvic acid 782991.1100 881902.9400 900067.3200 840412.6900 836068.0500 791958.8100 763605.0900 811836.6600 825199.1800 740650.9100 714739.1500 756334.6400 524830.6800 479391.8300 522058.1400 516388.5800 518588.9700 461442.3700 628328.3200 561361.7600 608751.5400 581289.4400 589125.9500 495497.9700 Phosphoserine Phosphoserine phosphoserine-13C3 Phosphoserine picolinate Picolinic acid picolinate-13C6 Picolinic acid pipecolate Pipecolic acid 6950368.6100 3505789.4700 3775287.0400 5886829.2200 2577473.3000 4299628.6700 3784478.4000 2157251376.4900 3043953.5700 3471657.0300 3941904.7400 4247371.3000 665827442.5700 695604815.3900 620258142.8500 592472463.8900 582341066.7500 544478551.8600 725087727.6200 645087136.0700 582597691.3000 616643450.3500 629141182.4200 605003245.8600 pipecolate-13C6 Pipecolic acid 19872488.5700 19706223.1900 19977645.8400 19531035.5600 21763039.3800 20919812.5900 21336959.1700 18460484.6800 20886426.7900 20721922.3700 19066587.8700 19313947.1700 23581413.8400 23162801 22381216.1200 20817956.7400 20475889.6700 20425429.5300 23150663.7600 21998952.6400 20705711.8400 20867200.5000 23107691.4100 20940242.3000 proline Proline 9949143290.9500 10253405156.8100 10597162431.7000 10461833269.7200 10315831962.4400 10294458558.4100 10391844436.5200 10916739523.3500 11310099501.4400 10381436254.0600 10039406080.1800 10238333436.7500 8310355760.3500 8807571475.5100 8047593011.0600 7698881256.3000 7508234034.7700 7174928090.6000 9645041043.3700 8843349914.6500 8089804003.4900 8478681890.9400 8663357784.9900 8260017859.6400 proline-13C Proline 3592718296.8100 3606767760.2100 3864705060.7400 3584917217.4400 3734074944.1900 3624147139.9100 3807295641.7000 3524671113.9800 3677884646.0200 3705433158.6100 3545164374.5900 3542590199.3800 3993983249.2400 4088461558.5100 4022969141.5600 4047901335.0200 3905192972.0500 3821545984.7700 4032093839.9000 3917146498.9300 3827011669.5100 3846189704.3600 3981170270.4600 3544935080.4600 proline-13C5 Proline 3592718296.8100 3606767760.2100 3864705060.7400 3584917217.4400 3734074944.1900 3624147139.9100 3807295641.7000 3524671113.9800 3677884646.0200 3705433158.6100 3545164374.5900 3542590199.3800 3993983249.2400 4088461558.5100 4022969141.5600 4047901335.0200 3905192972.0500 3821545984.7700 4032093839.9000 3917146498.9300 3827011669.5100 3846189704.3600 3981170270.4600 3544935080.4600 pyridoxal Pyridoxal 1469674.4100 1573523.7500 1362909.9800 1381335.7900 1582199.1800 1476139.0300 16688142.5800 17546876.3800 22929124.7400 18793495.5700 18721156.4800 17997722.4100 690720.0700 512546.1300 0.0300 0.0100 0.0200 0.0100 0.0300 0.0500 0.0300 0.0400 0.0200 0.0300 pyridoxal-13C8 Pyridoxal 1209111 745317.8200 324229.4700 650300.0800 1044275.2000 966198.7400 275769.4800 948859.9600 726294.2400 372511.4100 460237.4200 424166.9800 334693.1700 722491.4700 pyridoxine Pyridoxine 1655788424.0100 1707930442.6400 1767702133.2700 1714626874.2700 1700206833.3600 1709706174.4300 1588076456.2900 1563010996.3300 1656203819.5000 1502458049.4300 1478813641.8900 1500394133.6800 48167124.6500 52020095.6900 48260130.2500 40159529.7900 39751728.8300 36629420.1300 38810429.0400 34592329.6600 32464982.9400 31840585.3200 31317105.4000 31302993.6900 pyridoxine-13C8 Pyridoxine 742856.4600 184216.1400 99247.4600 152249.1800 230397.9100 116979.5300 76837.3400 148845.3800 112944.6200 251462.7500 167381.4000 140889.7200 92343.0400 95054.9800 270933.4100 137778.8400 286991.2100 177471.4300 330518.6800 167738.0100 pyroglutamate-5-oxoproline Pyroglutamic acid 680297721.1200 691159725.7600 713900676.9600 712726383.4500 723310368.0800 720958347.0600 2414347724.3100 2398441563.5900 2511600182.9900 2458266826.4500 2350045707.3400 2339694978.6600 410193839.4400 433112958.3500 411473871.1200 396326131.6900 392015156.9800 380231113.5200 1275111820.5600 1170295138.0700 1119789536.8500 1181187772.9900 1147047771.4400 1119122760.5200 pyroglutamate-5-oxoproline-13C5 Pyroglutamic acid 528909427.2400 533929936.9100 565785035.7200 538113866.7200 554281980.7300 542238980.5900 499626053.3000 465723165.9700 488900204.1800 506153299.0100 495751991.4800 479227488.2600 591212831.1200 614493859.3700 586938306.4600 618927114.6500 588910756.8500 581687550.6300 558022185.5600 562079823.8400 538329533.8600 547510475.8000 569028577.1000 504875534.0800 pyruvate Pyruvic acid 789537.9600 1050437.1100 423256.8300 546234.3000 792174.6200 640660.4600 137378495.8700 143757039.3200 165788466.5900 149482597.4300 143871456.1400 150390189.9800 24138859.4500 22298959.4500 16681145.5200 22087672.1800 17623798.1100 16590310.5200 37437728.1800 35265809.2500 31644399.3600 34951420.8800 32927734.5700 30266979.7800 pyruvate-13C3 Pyruvic acid 2552684.3400 2551689.7700 2936331.1000 2718649.3100 2995249.0600 2533284.9900 2814727.6900 2564210.4300 2554932.4000 2963179.9000 2669900.6400 2711224.3800 3014686.2900 2852620.6800 3001929.7500 2669078.9900 3058386.4600 2479443.6600 2750098.8400 2784941.7200 2406721.8300 2682017.5900 2645919.8700 2464760.3400 Riboflavin Riboflavin 2805400.9500 2856050.1000 2765010.5500 2724464.5300 2393192.4200 2621315.5200 2942386.6500 2704931.4800 2677148.3800 2467284.8400 2458403.7400 2355832.1200 61110.1200 45612.1800 42324.8900 50953.7300 39384.4900 44987.0100 riboflavin-13C17 Riboflavin ribose-5-phosphate Ribose 5-phosphate 10627.9300 72317.7900 90286.2200 50192.2400 40757.4600 53510.2600 40087.2800 40208743.7000 40043385.5700 39016204.5000 36819097.7000 36536240.7000 36023435.8600 13060016.2700 11088045.7700 10787026.6300 11328367.0900 11323113.6200 10955484.9900 ribose-5-phosphate-13C5 Ribose 5-phosphate 18835.0600 10364.2800 15792.5500 9596.7600 7430.5100 sah S-Adenosylhomocysteine 367927.0600 962006.5500 302035.9400 374801.1100 441021.2600 385789.3300 20135643.9400 19893293.2900 17408001.9000 17123481.9400 15607210.1700 16780365.9500 19706492.9900 18098374.8900 15736876.5800 17656214.6300 16755099.4000 15539051.1500 SAH-13C14 S-Adenosylhomocysteine 13588053.8400 13962172.1300 15296422.2500 13860859.9900 14101878.4500 14090332.7100 14750742.1800 13310871.2000 14106523.7100 14184706.8000 13657044.0700 13049662.6100 14620265.9900 15981944.2900 14591418.3600 14545385.9900 13296496.4600 14320317.7700 15248159.6500 13612848.4400 14318317.2500 14664806.2900 14696380.9800 12641434.1000 sarcosine Sarcosine 2203939.4400 436077.1500 1387882.6400 799656.4600 2189550.3100 1422202.0600 1513272.5300 972390.0500 1573244.9400 352527.5800 206748.9500 36869513.3800 38851330.5700 35420178.8100 34321493.8700 35724903.6100 32612184.6800 40751813.1200 36869814.0300 34526188.9500 35186100.1800 36587416.8300 34307148.5600 sarcosine-13C3 Sarcosine serine Serine 74288917.3100 77507857.7000 80545795.5800 80142950.7300 78263218.0800 79057855.4500 48225876.3900 54705931.0200 48282042.8000 46942573.1900 46111023.1000 45747837.6400 56071636.3700 60234384.0200 55210604.5500 51736273.7100 52505965.8500 47974730.5300 55297604.1400 51055109.6000 47061214.9400 49553154.7500 49210581.7500 47240430.7500 serine-13C3 Serine 78426218.3100 76814809.0300 82719122.9600 79571896.2200 79945105.4000 81635268.1000 82567528.2400 78836878.9100 80150978.0300 80628053.6400 81599416.6100 79491926 79959326.0200 78927499.4300 78792977.4400 82687902.1900 79914731.3400 75497026.4100 78811628.6100 78781125.5700 75862783.5600 76512425.3200 78792451.6700 70163732.6600 sorbitol Sorbitol 259520.0900 193738.4800 132089.6700 87429.7000 262691.5300 271241.1300 263741.6100 188981.9800 139912.6300 268044.2500 560508.2400 696098.8300 1062283.4600 814954.9100 748719.1100 752036.2400 966970.3300 971408.9100 882620.3400 931229.4400 547550.7800 727962.3000 sorbitol-13C6 Sorbitol 363053.2500 335654.4400 441143.0400 385044.6900 322467.3200 377324.2500 366263.9800 334988.7600 304373.7000 250479.3300 348077.8500 337097.2500 383263.7100 402053.9900 397821.2300 409028.0300 381426.2700 402840.1900 372111.6400 361271.9700 368925.7900 345324.8000 308847.9100 Succinate Succinic acid 8504230.9000 2693129.7800 1510422.8200 2477702.4500 4854387.3200 2935645.1600 5789719.6500 5792978.1000 6441290.9600 7762416.5900 6369675.8600 5080798.8200 187831274.9100 206165077.5800 179004663.1000 178879826.0900 176708254.0900 156360450.2300 214437853.4800 198747403.4900 176782919.7300 183748773.5500 187686610.5400 184385962.2100 succinate-13C4 Succinic acid 110436428.0200 111959520.5300 119848861.6700 112823778 116543478.0500 114120664.9100 119719841.7800 106970747.4400 114084603.7600 117747123.3200 113908964.3400 110302886.3900 117265995.1800 125436589.3400 114446289.1500 123732355.5800 120413468.1300 115469766.0100 124360669.4000 119501863.3000 113553702.3800 116561884.0600 117443665.9900 104174161.2800 taurine Taurine 3431569.7800 59870.3100 37217.8300 4903457.1500 76959.2900 1110754597.5000 1158073833.0400 1076686290.1900 1072724130.1400 1056177561.9500 1030072555.3500 1182640928.5000 1097400697.3600 1012854081 1067967962.5700 1090039253.9600 1053358379.7800 taurine-13C2-15N Taurine 457308983.7300 452692941.4100 477589416.1900 442945233.8500 458526588.0800 459172777.7400 479541001.2900 442817420.9900 448115075.4300 464653502.3700 448621996.3300 441372162.5100 252532736.8700 255881531.7800 253680039.2000 266227115.7000 256849785.5100 262639075.4400 250611631.6500 248056640.3600 245280580.4000 246200193.5300 256570789.5600 230742414.4400 thiamine Thiamine thiamine-13C12 Thiamine threonine Threonine 846571207.9400 878066502.8500 902226652.7600 970472584.7300 880131528.8900 893269661.2400 655750832.3300 741942807.1300 661517080.9500 628178545.6900 609227185.8900 617092540.3600 982376145.4300 1013582685.6900 935895576.7500 905695488.0500 909997219.6100 875308976.1400 943717518.0600 874681160.9000 813371419.2000 821553975.2800 853164426.1100 833398179.3900 Threonine-13C Threonine 76894189.1100 96262246.8700 100114813.8600 92393793.8900 77995152.0800 93990106.9600 81342662.7500 73776938.8900 78619923.6900 80967749.5900 77862445.1400 76473407.9300 52647795.0900 54380613.8300 threonine-13C4 Threonine 76894189.1100 76414218.5200 82389176.2800 74658604.4200 77236330.7100 93177864.2200 81342662.7500 73555895.2700 77926152.6100 80420058.1700 77665329.6800 76463645.6000 52647795.0900 54380613.8300 55267612.3500 56169701.8700 56642950.6800 57465491.4100 51096120.4000 51025627.2400 49797695.1700 48988918.4700 51536943.5000 46175385.1300 thymidine Thymidine 451658.7000 39018.3200 84546.4000 32265.7700 49086.5300 60405.3600 43218.0600 4328809.9300 4617041.8800 4166410.5400 4464941.4400 4384185.4700 3741474.1100 4822459.2600 4245550.4600 4107491.3800 4212440.5200 4181544.1400 3975132.3500 thymidine-13C10 Thymidine trans-urocanate Urocanic acid 158218108.0300 45126965.6600 39544341.3100 30720380.4600 76192621.5800 65119584.4800 75445281.9000 129673400.5400 81452307.0600 133490028.0200 109378127.1300 76239562.0700 133838152.6100 160724975.3900 4.2000 0.7500 1 1.5100 0.7500 0.8500 1.6500 5.1700 0.7300 0.9400 trans-urocanate-13C6 Urocanic acid trimethyllysine N-6-Trimethyllysine 2734954.2500 1991795.1600 2636998.7900 2100026.4400 2285067 2822712.7500 4208174.9800 4846812.2800 5303709.8600 4935039.1100 5367679.1600 5200824.2200 5900761.5900 2567525.8500 2883541.8800 2216992.2500 2285589.7100 2767592.2400 5758418.3600 5698212 4855993.1500 5478930.3900 5535850.0200 4668204.9000 trimethyllysine-13C9 N-6-Trimethyllysine 9102127.7300 8584440.1000 9923749.5400 8975105.1700 8934672.0300 9422982.2000 10268393.8000 9193455.0900 10030067.5600 9421853.1100 9655535.8800 9655527.9400 10525191.2100 10442979.7700 10126563.4600 10429377.2100 10192882.3100 9783664.2000 9994119.7300 10023448.2800 9087083.3200 9347439.0600 9966258.2700 8706515.0500 tryptophan Tryptophan 469826929.2400 493341179.7600 506752633.3700 499556736.3600 496578545.8800 490589521.6800 391679769.2100 390536797.0700 395369514.0900 371762908.4400 354951185.8200 359611532.5200 661637430.6400 644434203.7000 568300289.6700 573591418.3700 563388730.9600 547814474.4600 680907392.1400 592624736.2500 559263588.2000 593033462.3100 595827891.3400 582865162.0300 tryptophan-13C11 Tryptophan 4603720.3100 4064882.1400 4217814.0600 4569410.4800 4686952.7700 4388912.3400 4999374.4800 4554937.2600 4827860.6700 4828558.4500 4840204.9800 5268069.4600 3286304.2100 3806956.4600 3833872.6900 3660290.4600 3181599.9100 4086747.1300 4551776.8700 3942601.6100 4028111.1800 4316604.5500 4245550.5400 3936148.2900 tyrosine Tyrosine 945862001.3600 966627778.1100 988822853.8200 977113056.9000 968994832.5000 968407768.4100 749331360.5400 750933452.1500 772093043.5900 726896160.4500 707786554.1200 718690247.8900 626638839.4100 673658210.9000 605506078.5400 590286105.5700 577919455.8500 557243635.4700 654037698.9000 583165375.0700 542398669.3200 575843671.3300 566731612.3500 567485762.5200 tyrosine-13C9 Tyrosine 16555549.6600 23780677.2800 16688079.6200 23510473.5900 19976805.6500 19291250.0700 23025344.6000 23929137.2900 14439188.3200 10495008.4100 15010797.0700 14884853.1300 16567007.1900 16056418.6100 15113943.0300 23411353.2200 16904919.3500 18012638.6700 17367681.9100 15614629.1200 17724399.7100 19388316.1400 17687852.6100 15731304.2200 UDP UDP 119723.5300 119180.6900 78667.2000 UDP-13C9 UDP 115551.4300 62504.2500 103291.2900 58943.2800 133146.2400 68725.3200 56188.5200 65735.7300 UDP-GlcNAc UDP-N-acetylglucosamine 3299675.6900 3562280.7100 3181252.6100 2697969.9800 2790538.2800 2628094.6700 UDP-GlcNAc-13C17 UDP-N-acetylglucosamine 1457826.3500 1567119.4900 1606616.8300 1505013.8900 1503068.0900 1489622.7000 1626449.4200 1472736.5000 1505636.9500 1404618.7100 1558898.8000 1520381.4800 1658075.9500 1532581.5000 1447186.8900 1382512.7800 1516105.7700 1381560.9000 1567261.3900 1511300.8800 1296255.5300 1484008.0700 1546367.9000 1373111.6300 UDP-glucose UDP-glucose 1213613.9300 1264874.8000 1101996.6600 957062.4200 806681.3400 970087.7300 UDP-glucose-13C15 UDP-glucose 746712.1300 814438.8200 827741.9100 800253.0600 778875.3900 779022.2700 806226.0500 746957.8100 808233.4600 736475.2700 774326.4100 748451.8800 885970.0100 811061.6000 704588.1800 723800.6300 672725.7400 621040.6500 784627.5800 670375.3400 604460.5400 633834.3600 716420.1400 627890.0300 UMP UMP 7420508.8600 7108279.8200 0.0100 0.0100 0.0100 0.0100 UMP-13C9 UMP Uracil Uracil 1690831.1900 379193.7800 351147.0800 370628.1900 456496.7700 101522.0600 412283.2900 1541121.0500 476944.5400 293540.9100 477791.2400 601820.3300 189576512.7200 203163902.3100 179392105.8000 180716926.0400 176718553.4900 153115541.7100 275264755.5600 254825759.1400 224083520.5400 239393845.2400 241230529.1200 225994938.9600 uracil-13C Uracil uracil-13C4 Uracil 318238.9000 283453.6300 331233.3400 328964.1400 347154.2600 336064.0600 348956.4000 300862.9600 330480.4400 327291.6800 307671.7900 298486.8900 297211.0800 346204.4700 309190.9900 378652.9700 342797.5600 263906.7800 244475.2700 325919.2300 324254.6100 303813.1000 296224.3000 288732.4900 Uric-acid Uric acid 1991008.7300 887122.8300 635730.7100 306732.0700 381794.8500 348323.8800 2554809.1800 1165655.7300 278582.2100 430447.1900 650836.9100 1006865.9300 7951621.7700 7650807.0500 7795476.9900 6712970.4600 6428629.7800 6635850.8900 14122878.0600 12902554.0200 11493133.1400 12144115.0300 12119267.1900 12081803.5100 uric-acid-13C5 Uric acid 29504.9200 uridine Uridine 1601291.0800 55193.1600 237470.2200 102581.6200 180513.1600 101269.5500 125741.5200 59613793.3600 71342120.6600 27619234.5900 61692384.7400 18634479.8100 71812054.4100 79541821.8200 51443847.3000 60920135.3700 73446640.6700 89990388.6300 uridine-13C9 Uridine 31526.9200 43427.1700 31386.0100 UTP UTP UTP-13C9 UTP valine Valine 1566924202.3200 1691916932.5600 1726146734.5700 1722057707.7900 1661104082.6000 1730653127.8700 1196676003.7100 15202997098.1400 1191034486.8700 1104030880.7000 1077661801.4800 1049839052.0200 1754645084.6900 1731721867.2900 1590449147.2400 1552843328.3400 1482945353.5300 1417266015.1600 1810487044.6700 1582369029.6200 1473332565.6700 1495443587.9700 1537996944.6700 1539387260.8600 valine-13C Valine 55245287.4800 56766732 61068191.6700 55982999.7500 57375578.9800 57093055.3000 61949596.7600 49820572.0200 59108035.1500 58696107.8000 56205264.5500 55851134.6800 64731780.3400 65383454.5700 63572458.3600 64868779.8500 62936720.4000 61386668.1900 64893464.3100 64019414.9400 61144612.7600 60551610.5800 64855674.8200 56976192.0100 valine-13C5 Valine 55245287.4800 56766732 61068191.6700 55982999.7500 57375578.9800 57093055.3000 61949596.7600 49820572.0200 59108035.1500 58696107.8000 56205264.5500 55851134.6800 64731780.3400 65383454.5700 63572458.3600 64868779.8500 62936720.4000 61386668.1900 64893464.3100 64019414.9400 61144612.7600 60551610.5800 64855674.8200 56976192.0100 xanthine Xanthine 852640.0200 49234.1500 48121.2600 125719.2000 107537.3700 5437547.4300 5348463.6300 2949739.7100 2925776.3400 2603523.1200 2979356.0700 237679312.0100 246438787.2700 3.5700 3.4800 3.4700 3.4800 4.5100 4.3900 4.1800 4.3900 4.0700 4.7100 xanthine-13C5 Xanthine