metabolite_name 01_UK49 02_UK49 03_UK49 04_UK49 31_UK49 32_UK49 33_UK49 34_UK49 (S)-Methylmalonic-13C0[-H+]- 180575.73 124989.76 186256.81 10499.66 5135.51 7050.49 (S)-Methylmalonic-13C3[-H+]- 12194.40 3847.55 6524.14 (S)-Methylmalonic-13C4[-H+]- 3748268.21 4277031.79 2925489.84 2902387.74 2643426.05 4075097.06 3530561.26 1948048.52 13BPG-13C0[-H+]- 10591.41 46061.42 16270.07 13BPG-13C2[-H+]- 6216.84 13BPG-13C3[-H+]- 41062.20 167425.47 143142.48 232977.01 1349259.04 1132331.46 106362.07 240474.56 1-Pyrroline-2-carboxylic-13C3[-H+]- 139128.44 16652.33 286641.77 658609.72 2HG-13C0[-H+]- 21412518.32 16926683.81 14379873.50 9866246.89 4335801.39 5545110.49 3654523.21 717589.07 2HG-13C1[-H+]- 2HG-13C2[-H+]- 1248841.22 898333.51 1282033.77 987300.51 10869.53 16657.73 10551.96 3570.45 2HG-13C3[-H+]- 268658.93 149946.79 348673.67 265073.47 2HG-13C4[-H+]- 184650.78 173402.19 306271.60 301102.81 2HG-13C5[-H+]- 195337.73 131815.29 212999.17 249195.37 3PG-13C0[-H+]- 374222.18 241625.58 549557.24 983543.24 59485.16 49681.82 12761.92 11453.74 3PG-13C1[-H+]- 1086.70 3PG-13C2[-H+]- 48279.53 128201.10 114884.41 9361.97 6502.15 3628.13 3PG-13C3[-H+]- 5796110.51 8242688.45 10398577.50 10717498.54 2392142.88 3340788.57 1094753.86 553760.71 ADP-13C0[-H+]- 43463952.51 43214922.99 16546038.47 18781561.28 3531526.08 6523547.07 3330145.64 1424788.85 ADP-13C1[-H+]- ADP-13C2[-H+]- 266188.05 38146.21 58206.73 20110.99 28645.57 4327.95 ADP-13C3[-H+]- 359529.40 380163.36 134432.08 185831.57 53695.70 97916.25 34948.62 17921.64 ADP-13C4[-H+]- 991720.79 698502.20 187160.33 333868.21 66915.82 138972.57 47496.35 23839.61 ADP-13C5[-H+]- 26652442.64 23428258.84 7729281.76 10267570.48 3822830.40 6678092.85 3235989.08 1286805.32 ADP-13C6[-H+]- aKG-13C0[-H+]- 4896121.49 4058115.84 3659018.01 2463175.15 2298607.49 4461265.01 5143488.40 733965.05 aKG-13C1[-H+]- aKG-13C2[-H+]- 815326.95 663964.82 822758.70 431361.94 121906.49 227387.38 316167.94 20456.59 aKG-13C3[-H+]- 208689.13 148393.97 186315.42 102763.94 13335.40 27048.80 33492.54 2996.56 aKG-13C4[-H+]- 274860.25 187610.10 263481.47 128212.16 7281.37 8166.21 938.65 aKG-13C5[-H+]- 191307.76 98199.91 154980.30 70232.53 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C0[-H+]- 189825959.68 189729282.31 227739829.97 249046017.04 64085109.95 89863148.07 62815135.75 28071232.83 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C1[-H+]- 755545.00 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C2[-H+]- Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C3[-H+]- 11352030.29 11367126.77 13022462.20 16617445.97 2198710.62 3095487.07 2248037.98 635990.83 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C4[-H+]- AMP-13C0[-H+]- 31149165.97 21008752.39 15428062.90 18205439.76 1920790.87 7115276.83 1155969.05 365586.00 AMP-13C1[-H+]- AMP-13C2[-H+]- AMP-13C3[-H+]- 104970.65 58639.24 71517.16 64726.57 4820.64 11687.30 AMP-13C4[-H+]- 249623.57 105604.80 62277.79 101994.81 AMP-13C5[-H+]- 13793801.35 8455333.49 5732953.24 6303055.16 843879.81 1365293.98 478033.35 120827.98 AMP-13C6[-H+]- ATP-13C0[-H+]- 54088474.24 67728651.24 110903176.78 108886965.66 152133.07 309855.60 197731.81 136894.08 ATP-13C1[-H+]- 83302.60 ATP-13C2[-H+]- 288376.34 376857.89 781657.45 1039959.51 ATP-13C3[-H+]- 465182.64 429525.40 1265513.58 1291009.46 ATP-13C4[-H+]- 983309.86 975841.00 2016910.82 2284466.42 ATP-13C5[-H+]- 35102446.53 37697976.43 60659720.98 63377152.13 195177.87 335474.55 204040.98 127118.34 ATP-13C6[-H+]- ATP-13C7[-H+]- CDP-13C0[-H+]- 1043785.95 1287510.95 472045.17 768186.66 496412.22 725741.82 210912.70 189088.21 CDP-13C1[-H+]- CDP-13C5[-H+]- 20884.23 4106.23 10585.16 17144.33 5505.76 5281.99 CDP-13C7[-H+]- 6735.89 cis-Aconitate-13C0[-H+]- 96709.22 40873.27 135247.11 129765.56 19298.52 171730.70 97684.97 14912.98 Citrate-13C0[-H+]- 16573799.23 16716569.99 30686070.99 23692430.82 3454700.17 11428760.10 7063512.65 2936219.42 Citrate-13C1[-H+]- 1736937.73 1273360.36 3201014.57 2339238.18 12686.86 544270.25 178853.88 35730.94 Citrate-13C2[-H+]- 11356790.96 11685170.25 19946315.00 17500324.38 845823.46 2204075.64 1172731.68 447603.79 Citrate-13C3[-H+]- 4758346.55 4100527.72 8266546.06 7176421.74 127593.04 688904.97 324816.15 95546.20 Citrate-13C4[-H+]- 6117841.15 5308549.06 9677662.49 9543055.68 69758.37 119527.65 53397.84 30437.87 Citrate-13C5[-H+]- 4809483.19 4028716.67 7396133.20 8010363.31 30451.16 18733.35 13874.02 8593.90 Citrate-13C6[-H+]- 1744027.96 1297512.76 2709856.31 3317203.35 2972.32 4580.79 647.43 CMP-13C1[-H+]- 13509.50 5267.50 8591.83 CMP-13C2[-H+]- 13911.52 15584.15 12903.09 CMP-13C3[-H+]- 8202.52 5794.03 CMP-13C5[-H+]- 12346247.46 5088797.39 11083546.86 13363063.00 769136.07 5620965.39 483212.36 183576.29 CMP-13C6[-H+]- 12240.27 117816.00 62886.77 831.74 CMP-13C7[-H+]- CMP-13C9[-H+]- 104327.22 41620.14 43290.10 46931.14 5783.60 27586.34 14178.71 2798.93 CTP-13C0[-H+]- 47998.81 77290.85 143519.55 194994.89 5426.78 11512.69 8238.05 18764.46 CTP-13C1[-H+]- Cyclic AMP-13C0[-H+]- 1925147.86 1623676.41 1573909.12 2607862.25 326020.69 2667986.99 179464.62 53171.28 Cyclic AMP-13C1[-H+]- Cyclic AMP-13C2[-H+]- Cyclic AMP-13C4[-H+]- 8648.91 3490.67 Cyclic AMP-13C5[-H+]- 534733.46 799606.78 114367.90 244831.37 209162.09 168194.56 34622.63 Cyclic AMP-13C6[-H+]- 1322.90 8582.38 Deoxycytidine-13C0[-H+]- 343884.89 189560.60 127465.30 194139.81 65381.37 493626.08 390250.23 9143.70 Deoxycytidine-13C1[-H+]- 1770.80 Deoxycytidine-13C2[-H+]- 41872.03 11546.74 20744.72 29861.33 Deoxycytidine-13C3[-H+]- 8592.43 10950.07 Deoxycytidine-13C4[-H+]- 6470.29 dGDP-13C0[-H+]- 43463952.51 43214922.99 16546038.47 18781561.28 3531526.08 6523547.07 3330145.64 1424788.85 dGDP-13C1[-H+]- dGDP-13C2[-H+]- 266188.05 38146.21 58206.73 20068.81 28645.57 4327.95 dGDP-13C3[-H+]- 359529.40 380163.36 134432.08 185831.57 53699.44 97916.25 34948.62 17921.64 dGDP-13C4[-H+]- 991720.79 698502.20 187160.33 333868.21 66915.68 138972.57 47496.35 23839.61 dGDP-13C5[-H+]- 26652442.64 23428258.84 7729281.76 10267570.48 3822830.41 6678092.85 3235989.08 1286805.32 dGDP-13C6[-H+]- D-Glucuronic-13C0[-H+]- 76599.57 25675.75 251977.06 346277.78 D-Glucuronic-13C5[-H+]- 45022.26 47125.80 D-Glucuronic-13C6[-H+]- 410273.98 394985.43 3425556.92 2383659.30 105404.17 248881.45 36852.61 39546.59 dGTP-13C0[-H+]- 54088474.24 67728651.24 110903176.78 108886965.66 157290.42 309855.60 197731.81 136894.08 dGTP-13C1[-H+]- 83302.60 dGTP-13C2[-H+]- 288376.34 376857.89 781657.45 1039959.51 dGTP-13C3[-H+]- 465182.64 429525.40 1265513.58 1291009.46 dGTP-13C4[-H+]- 983309.86 975841.00 2016910.82 2284466.42 dGTP-13C5[-H+]- 35102446.53 37697976.43 60659720.98 63377152.13 195177.87 335474.55 204040.98 127118.34 dGTP-13C6[-H+]- dGTP-13C7[-H+]- D-Ribose and L-Arabinose-13C0[-H+]- 13183.15 30155.27 17722.43 D-Ribose and L-Arabinose-13C5[-H+]- 290682.47 368846.00 401555.10 370705.13 295333.81 459581.85 370945.57 140516.49 D-Ribulose-13C0[-H+]- 790721.87 884222.69 1476926.76 1213787.15 55688.41 22051.65 9328.21 D-Ribulose-13C1[-H+]- D-Ribulose-13C2[-H+]- 5776.93 4222.72 D-Ribulose-13C3[-H+]- 34630.28 16299.22 30165.86 41336.05 D-Ribulose-13C4[-H+]- 16521.62 36889.06 14059.44 D-Ribulose-13C5[-H+]- 1962407.23 2316741.48 5287446.35 2776304.00 259495.58 228030.89 165643.79 37623.17 dTMP-13C0[-H+]- 76821.43 24304.41 dUDP-13C0[-H+]- 42434.77 14318.15 4929.84 39162.67 65784.94 4030.69 dUMP-13C0[-H+]- 44829.39 26161.77 D-Xylose/D-Xylulose-13C0[-H+]- 22364.70 13183.15 30155.27 D-Xylose/D-Xylulose-13C5[-H+]- 290682.47 368846.00 401555.10 325174.17 295002.23 459581.85 370945.57 140516.49 E4P-13C0[-H+]- 4021.47 5215.59 E4P-13C4[-H+]- 32160.22 30344.09 42767.02 64183.68 6241.21 Erythrose-13C0[-H+]- 5307199.83 4382424.79 2854737.18 2684948.15 1876934.11 1951408.69 1780344.54 316947.78 Erythrose-13C1[-H+]- Erythrose-13C4[-H+]- 69314.72 92889.80 36808.79 44275.76 34991.37 25105.71 33565.27 23482.61 F16P-13C0[-H+]- 33538.26 F16P-13C3[-H+]- 31761.00 F16P-13C4[-H+]- 7480.85 F16P-13C5[-H+]- 38511.18 5048.12 F16P-13C6[-H+]- 12342.82 83364.32 104425.07 2121442.93 587312.11 737773.08 141571.14 367751.45 F26P-13C0[-H+]- 559146.53 1138863.93 865777.78 946036.30 394363.67 1197821.67 742676.04 241034.17 F26P-13C1[-H+]- F6P-13C0[-H+]- 46859.74 203920.82 39826.96 48169.38 20524.69 F6P-13C2[-H+]- 29769.54 86335.15 42961.29 F6P-13C3[-H+]- 38613.70 25246.60 40643.72 39753.28 F6P-13C4[-H+]- 86516.32 90059.72 376549.12 113861.15 F6P-13C5[-H+]- 73438.29 118270.25 100694.57 66297.78 8853.48 57902.35 51782.89 4879.49 F6P-13C6[-H+]- 2289029.80 3914436.67 2349383.26 1555130.19 993454.75 2527185.10 2438339.18 485022.25 Fumarate-13C0[-H+]- 11667276.64 10496038.60 14324962.47 12716473.94 1821550.57 2736134.39 1979227.03 546510.27 Fumarate-13C1[-H+]- 284833.71 183471.46 537726.90 392532.58 Fumarate-13C2[-H+]- 2050773.09 1758184.11 2517616.45 2192444.07 78647.38 88841.13 67745.95 15399.70 Fumarate-13C3[-H+]- 2324866.91 2067397.12 2842577.61 2741912.30 30515.91 40393.08 44570.89 10306.89 Fumarate-13C4[-H+]- 806728.66 574439.52 973926.20 1145148.32 G1P-13C0[-H+]- 85054.47 31115.67 80744.45 76784.97 83856.65 25306.76 G1P-13C5[-H+]- 50377.80 57721.49 114343.87 73404.95 G1P-13C6[-H+]- 4718756.21 4649780.43 7002923.82 5490948.67 483130.96 1095538.61 771831.91 224396.82 G6P-13C0[-H+]- 567784.02 320332.88 196826.70 373609.59 44633.73 62001.00 97899.79 7511.50 G6P-13C1[-H+]- G6P-13C2[-H+]- 37635.63 34743.92 37256.60 G6P-13C3[-H+]- 51292.28 105772.18 29969.76 36720.10 14441.01 G6P-13C4[-H+]- 136270.02 155279.05 83645.36 65658.23 G6P-13C5[-H+]- 230139.90 379005.43 119048.43 107637.09 21107.51 49996.91 50248.93 9018.96 G6P-13C6[-H+]- 8250048.63 11992470.94 4914924.88 3859375.18 1663272.01 2341628.88 2730173.62 850596.52 GalactitolAndSorbitol-13C0[-H+]- 3868389.38 4170432.20 691002.90 877481.99 708289.33 763958.35 417517.20 104983.72 GalactitolAndSorbitol-13C1[-H+]- GalactitolAndSorbitol-13C5[-H+]- 87656.18 108327.60 277762.33 139853.66 58914.44 161818.11 GalactitolAndSorbitol-13C6[-H+]- 5965853.05 9016171.18 9996919.62 6560497.93 1588927.39 3821853.59 6705022.33 1749069.25 Galactose 6-phosphate-13C0[-H+]- 100922.02 330064.85 188841.63 145493.46 38228.26 158509.07 64755.45 11820.34 Galactose 6-phosphate-13C3[-H+]- 17301.67 61577.18 16736.56 Galactose 6-phosphate-13C5[-H+]- 32949.56 81294.21 91168.09 26930.62 13437.81 51474.04 18057.41 Galactose 6-phosphate-13C6[-H+]- 3999870.11 5656401.40 6093208.48 6565273.57 2410067.51 5513108.19 3676063.52 1611850.06 Galacturonic acid/D-Glucuronic acid-13C0[-H+]- 1984907.40 959954.36 1685653.79 1095989.81 224017.35 410891.93 264216.91 44287.78 Galacturonic acid/D-Glucuronic acid-13C1[-H+]- Galacturonic acid/D-Glucuronic acid-13C5[-H+]- 15054.68 19378.61 17148.08 12171.68 Galacturonic acid/D-Glucuronic acid-13C6[-H+]- 1333719.69 1055418.88 1461214.71 1398513.64 433738.36 1200436.09 737721.41 107548.10 GDP-13C0[-H+]- 1261885.34 1275200.86 641918.40 737971.32 92971.79 145277.58 32012.03 40836.52 GDP-13C1[-H+]- GDP-13C2[-H+]- 7488.90 GDP-13C3[-H+]- 8586.42 8288.55 GDP-13C4[-H+]- 30318.25 24148.53 7762.45 13451.63 GDP-13C5[-H+]- 1571901.27 1535621.70 745548.30 942522.82 177037.71 339265.13 60662.82 79538.99 GDP-13C6[-H+]- Glyceric acid-13C0[-H+]- 67078.62 37659.15 59467.89 65846.19 49773.88 8515.50 4604.45 19943.36 Glyceric acid-13C3[-H+]- 1570302.32 2377136.45 2124101.01 2059584.73 375568.02 812228.52 388069.60 31035.27 GMP-13C0[-H+]- 861297.66 306846.07 261375.06 GMP-13C1[-H+]- 11983.44 100955.49 GMP-13C5[-H+]- 763624.24 211976.80 97203.87 58533.86 GSH-13C0[-H+]- 328394307.86 371496706.33 241482723.64 413655245.20 159126998.88 231441551.35 135932413.90 58462967.39 GSH-13C1[-H+]- 12771510.58 13782578.36 10477518.37 13491741.46 5163128.03 9006988.68 4672473.43 2175229.16 GSH-13C2[-H+]- 76014814.69 80597498.11 52502243.20 91806359.33 11515003.19 17065498.55 12545305.78 5248903.76 GSH-13C3[-H+]- 34712510.74 34520611.12 22826470.00 42986747.41 4598083.08 3171175.76 1370040.21 GSH-13C4[-H+]- 36530333.70 37160951.55 21674557.28 47695894.90 590917.40 274868.63 562237.04 332375.07 GSH-13C5[-H+]- 27161976.35 25396472.08 15306543.44 35394454.44 100958.34 141283.03 86743.63 GSH-13C6[-H+]- GTP-13C0[-H+]- 234331.57 235952.66 2485607.77 2129798.76 5178.98 5188.40 GTP-13C1[-H+]- GTP-13C2[-H+]- 9902.70 11989.97 GTP-13C3[-H+]- 36531.83 29980.13 GTP-13C4[-H+]- 55613.69 44209.51 GTP-13C5[-H+]- 288583.84 293540.93 3145960.20 2631551.17 8840.56 13445.05 9142.96 14723.75 GTP-13C6[-H+]- Gulonic and Galactonic and Gluconic acid-13C0[-H+]- 3704437.75 1914785.29 2301371.14 2697788.69 1807203.50 1261378.60 903621.02 455879.38 Gulonic and Galactonic and Gluconic acid-13C1[-H+]- Gulonic and Galactonic and Gluconic acid-13C2[-H+]- 5404.31 Gulonic and Galactonic and Gluconic acid-13C3[-H+]- 8080.12 4066.71 Gulonic and Galactonic and Gluconic acid-13C4[-H+]- 6909.95 Gulonic and Galactonic and Gluconic acid-13C5[-H+]- 92058.49 83359.66 133169.36 165124.73 55083.17 160114.63 84378.39 33560.39 Gulonic and Galactonic and Gluconic acid-13C6[-H+]- 5301512.73 3907821.06 3799579.88 4170737.85 3536355.09 5639913.35 3732640.21 1400013.77 Hexoses-13C0[-H+]- 72974456.52 68640912.34 45013365.45 42976967.54 19965513.56 34725877.27 33363350.49 12079833.80 Hexoses-13C1[-H+]- Hexoses-13C2[-H+]- Hexoses-13C5[-H+]- 686885.10 929452.74 751269.19 654031.22 Hexoses-13C6[-H+]- 28286470.03 34123305.82 24491668.42 22777394.64 23889348.73 33470046.08 28406400.00 16032400.00 IMP-13C0[-H+]- 16237.18 IMP-13C5[-H+]- 25536.90 Isocitrate-13C0[-H+]- 193757.30 66490.56 Isocitrate-13C1[-H+]- 34104.21 29855.96 Isocitrate-13C2[-H+]- 40861.88 Itaconic acid-13C0[-H+]- 1571686.74 1894770.71 942330.07 755053.89 1196630.07 816684.91 561675.64 239057.77 Itaconic acid-13C1[-H+]- Itaconic acid-13C4[-H+]- 9481.29 Itaconic acid-13C5[-H+]- 16222.92 8583.90 Lactate-13C0[-H+]- 68563419.27 53059221.08 39913241.42 35808056.03 39832427.09 43965939.76 31153008.74 11348596.04 Lactate-13C1[-H+]- 1172275.02 161899.15 430418.22 932538.48 Lactate-13C2[-H+]- 27904866.75 23521131.68 25256085.95 22894712.16 1515667.39 6700101.30 3376676.61 1141571.37 Lactate-13C3[-H+]- 1122814385.34 998881915.47 1079719802.63 956190378.51 98442360.22 319750520.71 182882510.17 70465324.49 L-Aspartic acid-13C0[-H+]- 84689309.42 89817681.65 58240905.82 65414404.10 46833013.70 85288674.62 65704943.20 16763761.19 L-Aspartic acid-13C1[-H+]- 6416718.54 5927932.03 4757383.77 4308008.41 1949635.04 5318863.17 2919988.77 631016.50 L-Aspartic acid-13C2[-H+]- 20373248.14 20092106.63 12580675.42 13403674.81 5294091.57 10023406.61 6835896.83 1797204.12 L-Aspartic acid-13C3[-H+]- 20477617.50 20853551.83 13066917.22 15646564.60 3531996.00 6635370.82 4672147.07 1274426.47 L-Aspartic acid-13C4[-H+]- 9010406.09 7144569.87 5086295.15 6745629.76 237551.54 110529.62 145821.02 39939.97 L-Glutamic-13C0[-H+]- 959157320.07 948881506.87 909315530.13 827122253.85 312039559.42 688126062.27 576814790.45 176343772.23 L-Glutamic-13C1[-H+]- 47990221.58 34365854.25 38769643.56 37008685.11 8093734.55 28726321.86 24269852.06 4960346.66 L-Glutamic-13C2[-H+]- 293725209.99 277797793.77 282551845.09 237127122.23 38549516.80 75685000.70 66639334.30 17921100.18 L-Glutamic-13C3[-H+]- 122914229.55 102133122.76 113265027.99 103785288.70 6977715.82 19253934.72 16681753.11 2989605.38 L-Glutamic-13C4[-H+]- 148084664.79 113981915.85 123785045.76 128928676.33 4068265.97 2514121.99 2709693.55 647714.01 L-Glutamic-13C5[-H+]- 87560814.95 91412907.47 104714180.60 912193.51 569008.00 562584.40 162149.57 L-Xylonate-13C0[-H+]- 1512896.09 1236960.32 672363.07 944182.68 781919.05 767703.70 589112.40 212239.45 L-Xylonate-13C1[-H+]- L-Xylonate-13C4[-H+]- 8605.40 3308.73 L-Xylonate-13C5[-H+]- 683029.88 643744.78 456086.48 502558.91 546856.07 688868.63 729200.90 129656.49 Malate-13C0[-H+]- 56459539.60 64526913.40 43915943.35 45693092.82 13153092.75 22553540.09 11165121.43 3634243.74 Malate-13C1[-H+]- 3357674.01 3037113.05 2624547.13 2609480.35 279440.91 832385.01 248061.09 146232.24 Malate-13C2[-H+]- 13398981.75 13682659.74 10923863.05 11261553.71 1247155.56 1844363.66 847216.02 344313.11 Malate-13C3[-H+]- 14330457.99 15497716.73 11587708.86 13401950.36 816246.50 1271670.81 636647.35 261181.20 Malate-13C4[-H+]- 6948847.09 5789495.61 4719024.20 5996383.75 86986.60 40139.05 17309.00 22464.59 Mannose 6-phosphate-13C0[-H+]- 265355.75 59183.24 149713.74 469083.99 24951.37 10668.11 14401.14 Mannose 6-phosphate-13C1[-H+]- 14804.55 Mannose 6-phosphate-13C2[-H+]- 8644.64 23993.83 Mannose 6-phosphate-13C3[-H+]- 71322.52 23330.17 49989.32 64365.06 Mannose 6-phosphate-13C4[-H+]- 30766.02 53288.55 Mannose 6-phosphate-13C5[-H+]- 114117.03 111003.22 155749.95 163159.72 34249.46 12395.65 Mannose 6-phosphate-13C6[-H+]- 3551114.12 3863886.88 4029932.71 3677775.39 686433.84 1299789.15 530619.28 149847.80 N-Acetylglutamic-13C0[-H+]- 7214678.96 5333377.73 9267972.72 6487581.37 1678754.79 3691808.77 3346747.18 574476.50 N-Acetylglutamic-13C1[-H+]- 203271.69 76024.78 317331.51 229641.55 N-Acetylglutamic-13C2[-H+]- 7177552.48 6455785.68 7415691.93 7376623.64 545433.93 736662.58 558855.59 129865.83 N-Acetylglutamic-13C3[-H+]- 959058.76 620003.59 1400128.31 1115236.04 73736.88 24503.04 4492.19 N-Acetylglutamic-13C4[-H+]- 3669171.61 2688005.08 4032847.50 3758451.86 65522.76 81538.57 49201.78 10958.43 N-Acetylglutamic-13C5[-H+]- 1804715.63 1046729.24 1865444.44 1858920.42 15311.32 11316.26 N-Acetylglutamic-13C6[-H+]- 1789574.82 1116905.62 1680271.19 1908770.29 5660.48 N-Acetylglutamic-13C7[-H+]- 1363908.83 758948.46 1200170.33 1524316.56 NADH-13C0[-H+]- 131384.16 110260.44 275985.95 228589.57 37246.99 6376.75 25198.71 NADH-13C1[-H+]- NADH-13C10[-H+]- 148203.57 198355.55 385004.74 527610.75 17493.75 104731.07 46712.18 71301.08 NADH-13C11[-H+]- NADH-13C2[-H+]- 82.27 NADH-13C4[-H+]- 26767.16 26364.67 NADH-13C5[-H+]- 332772.56 458336.36 1095817.91 1249938.06 31803.44 111919.78 62623.42 87265.45 NADH-13C6[-H+]- NADH-13C7[-H+]- NADH-13C8[-H+]- 12893.32 11822.63 NADH-13C9[-H+]- 18980.56 27967.63 Pantothenic acid-13C0[-H+]- 48712862.25 52732317.33 46102570.21 37716279.84 18767978.40 42348702.47 28431466.11 10009808.52 Pantothenic acid-13C1[-H+]- Pantothenic acid-13C2[-H+]- PEP-13C0[-H+]- 17590.87 11589.82 27280.89 24453.44 PEP-13C2[-H+]- 6190.76 PEP-13C3[-H+]- 810805.97 870899.14 1317040.40 720946.36 180261.37 357018.99 182901.38 27222.01 Phosphocreatine-13C0[-H+]- 1331471.79 1596718.53 1035984.10 1268928.90 676311.89 2062707.07 1001046.41 363153.59 Phosphocreatine-13C1[-H+]- Phosphoserine-13C0[-H+]- 71354.25 43762.25 7634.19 16407.59 96976.01 24181.43 Pyroglutamic acid-13C0[-H+]- 107791013.13 108033864.24 105734363.97 93718727.06 52881040.38 91356926.75 69854887.84 20364861.44 Pyroglutamic acid-13C1[-H+]- 234602.84 27656.11 Pyroglutamic acid-13C2[-H+]- 1895490.57 1551170.73 2182728.16 1981617.56 43815.44 321229.58 365133.03 125692.39 Pyroglutamic acid-13C3[-H+]- 629626.27 550557.92 974303.40 1032662.07 12912.42 27050.25 71009.89 17216.59 Pyroglutamic acid-13C4[-H+]- 728390.65 572221.39 795098.04 959304.95 22569.90 4262.53 Pyroglutamic acid-13C5[-H+]- 520863.64 402725.53 577901.32 793903.39 4248.34 Pyruvate-13C0[-H+]- 4481682.88 2292821.58 1773194.19 1724926.29 2340393.36 2438904.21 2959958.23 879131.87 Pyruvate-13C1[-H+]- Pyruvate-13C2[-H+]- 262488.48 86654.13 186652.31 133369.01 9842.14 35365.99 37245.29 Pyruvate-13C3[-H+]- 26131316.47 20807565.24 19297927.61 15870549.24 2859367.73 6822125.83 5651793.35 1951395.54 R1P-13C0[-H+]- 53130.89 59032.80 48764.67 33309.70 32203.33 36947.60 R1P-13C5[-H+]- 151001.29 145757.74 277134.66 208335.28 67319.82 143186.52 10485.25 11204.23 R5P-13C0[-H+]- 790721.87 884222.69 1476926.76 1213787.15 55688.41 22051.65 9328.21 R5P-13C1[-H+]- R5P-13C2[-H+]- 5776.93 4222.72 R5P-13C3[-H+]- 31473.13 43732.26 52186.16 39895.13 R5P-13C4[-H+]- 36400.65 14091.40 R5P-13C5[-H+]- 1962590.85 2316738.11 5287449.06 2776303.82 259495.58 228030.89 165643.79 37623.17 S7P-13C0[-H+]- 94547.29 111563.59 86744.48 95648.75 9035.43 S7P-13C1[-H+]- S7P-13C2[-H+]- 328921.96 393509.75 428897.25 259303.98 21563.06 24713.20 12932.65 S7P-13C3[-H+]- 3182.43 814.74 S7P-13C4[-H+]- 16028.50 18461.33 20399.24 14073.14 S7P-13C5[-H+]- 203743.42 203571.51 352267.74 214252.06 15390.82 14554.44 9644.31 S7P-13C6[-H+]- 24511.97 38563.09 33961.01 27568.70 5081.55 10461.43 S7P-13C7[-H+]- 1020696.02 1610391.17 1565666.49 1035689.82 215996.98 338255.44 244108.90 55030.63 Succinate-13C0[-H+]- 140245496.38 129526551.48 74447980.15 77699811.13 35090625.42 48606767.45 34540098.57 7096114.44 Succinate-13C1[-H+]- 872658.15 398495.18 611162.83 868044.74 62202.17 Succinate-13C2[-H+]- 7003786.63 6514465.65 6651060.69 5552411.09 373069.78 543196.53 265151.31 99013.47 Succinate-13C3[-H+]- 9246300.66 10490016.80 8093579.63 10506639.66 59137.01 29958.30 25375.58 7392.51 Succinate-13C4[-H+]- 2372473.75 2040721.84 1807963.65 2164443.56 14381.09 SucroseAndDischarrides-13C0[-H+]- 121596.63 SucroseAndDischarrides-13C1[-H+]- 26457.54 12996.31 5251.79 SucroseAndDischarrides-13C10[-H+]- 28560.87 14048.11 SucroseAndDischarrides-13C11[-H+]- 555064.04 518760.18 409883.49 456316.18 17937.02 53920.60 64297.44 33468.43 SucroseAndDischarrides-13C12[-H+]- 10282378.61 10633117.66 7194502.16 7544592.42 1572633.17 2902174.55 2539197.36 1090628.44 SucroseAndDischarrides-13C6[-H+]- 109169.38 106685.47 92873.75 91321.99 20764.42 SucroseAndDischarrides-13C9[-H+]- 83878.23 61757.48 25884.39 49805.23 Taurine-13C0[-H+]- 364413791.74 330542889.24 260751396.66 262420393.65 86793035.80 105970573.91 96713613.32 42250315.72 Taurine-13C1[-H+]- UDP-13C0[-H+]- 1773808.71 1970190.58 666629.23 852567.23 662296.48 556062.79 181613.42 204790.05 UDP-13C1[-H+]- UDP-13C5[-H+]- 136704.51 104619.74 18948.07 35722.12 34278.35 39085.05 12218.97 9221.83 UDP-13C6[-H+]- 30079.07 5901.65 UDP-13C7[-H+]- 66020.25 36858.43 4032.31 UDP-13C8[-H+]- 36375.12 17597.11 6068.79 UDP-N-acetyl-alpha-D-galactosamine-13C0[-H+]- 20464525.75 22082926.81 38075488.88 31892361.08 557900.40 1232330.99 384317.82 538049.73 UDP-N-acetyl-alpha-D-galactosamine-13C1[-H+]- UDP-N-acetyl-alpha-D-galactosamine-13C10[-H+]- 151138.36 142499.71 172422.59 259623.95 5752.27 25098.21 4808.79 UDP-N-acetyl-alpha-D-galactosamine-13C11[-H+]- 1256404.95 1451721.89 1674239.85 2047765.40 144540.35 456366.79 149235.61 149423.04 UDP-N-acetyl-alpha-D-galactosamine-13C12[-H+]- 279119.09 277012.71 282692.63 363720.24 8749.82 43186.56 7213.06 5841.66 UDP-N-acetyl-alpha-D-galactosamine-13C13[-H+]- 1096783.72 1063358.38 1021757.78 1585861.45 34132.20 62909.52 8322.28 15710.12 UDP-N-acetyl-alpha-D-galactosamine-13C14[-H+]- 455272.98 362837.77 382477.68 530973.91 5401.12 12296.28 UDP-N-acetyl-alpha-D-galactosamine-13C15[-H+]- 297532.40 240065.79 214969.42 372574.86 UDP-N-acetyl-alpha-D-galactosamine-13C16[-H+]- 205541.06 148449.96 132512.07 230257.69 UDP-N-acetyl-alpha-D-galactosamine-13C2[-H+]- 304219.74 231696.74 344310.56 691053.09 4498.91 UDP-N-acetyl-alpha-D-galactosamine-13C3[-H+]- 147690.65 124565.69 202673.46 306043.36 UDP-N-acetyl-alpha-D-galactosamine-13C4[-H+]- 103746.02 101558.13 167569.62 178116.92 15021.97 UDP-N-acetyl-alpha-D-galactosamine-13C5[-H+]- 1646249.06 2166940.39 2786402.33 3142046.34 91878.71 305664.81 96236.24 113954.78 UDP-N-acetyl-alpha-D-galactosamine-13C6[-H+]- 19210349.78 23037422.78 41343397.73 42225008.84 2702639.84 7022897.05 1881329.23 2204820.04 UDP-N-acetyl-alpha-D-galactosamine-13C7[-H+]- 303974.96 283211.24 839938.22 816731.94 UDP-N-acetyl-alpha-D-galactosamine-13C8[-H+]- 7389246.96 9064213.46 16983914.24 19791379.29 82376.36 92346.21 51006.07 60269.38 UDP-N-acetyl-alpha-D-galactosamine-13C9[-H+]- 10765.94 2163.58 2101.54 UMP-13C0[-H+]- 122976098.37 127707176.08 155886388.49 160664515.36 25553324.44 31110535.48 18557777.04 6383196.16 UMP-13C1[-H+]- 303080.50 221238.32 UMP-13C2[-H+]- 15206.92 UMP-13C3[-H+]- 324718.14 318479.41 272746.08 403944.75 31150.53 78967.75 36976.66 6676.38 UMP-13C4[-H+]- 659254.66 547686.78 367340.68 523061.71 41323.19 94421.47 41383.39 7440.55 UMP-13C5[-H+]- 16174796.05 15206790.25 10539863.25 12794487.98 2628547.84 5544465.12 2629818.79 654660.78 UMP-13C6[-H+]- 4162382.43 2962410.85 2169115.04 2618161.41 153317.55 302247.45 58832.44 7113.58 UMP-13C7[-H+]- 5766291.52 4662042.66 3184070.44 4060789.50 232350.24 277849.82 112199.61 24724.33 UMP-13C8[-H+]- 4028834.05 2798611.28 1945372.29 2728127.95 77217.62 4102.66 30541.76 8227.13 UMP-13C9[-H+]- Uracil-13C0[-H+]- 4922470.99 4758759.06 4199105.01 4149768.36 370374.55 909307.26 633299.76 45549.89 Uracil-13C1[-H+]- Uracil-13C2[-H+]- 6518.38 7334.51 1715.92 Uracil-13C3[-H+]- 5550.05 Uric acid-13C0[-H+]- 11841979.06 3852883.65 11630780.04 12314204.83 439053.66 1388701.67 392767.12 256915.70 Uric acid-13C1[-H+]- Uridine diphosphate-N-acetylglucosamine-13C0[-H+]- 3661626.12 3795272.97 10260233.82 7891070.12 167891.16 323910.44 137501.63 202446.64 Uridine diphosphate-N-acetylglucosamine-13C1[-H+]- Uridine diphosphate-N-acetylglucosamine-13C10[-H+]- 45097.50 56575.58 10759.40 Uridine diphosphate-N-acetylglucosamine-13C11[-H+]- 229327.14 216562.15 404676.51 414610.32 46201.55 109557.13 49577.66 53387.57 Uridine diphosphate-N-acetylglucosamine-13C12[-H+]- 51251.51 23731.09 76592.24 112978.77 Uridine diphosphate-N-acetylglucosamine-13C13[-H+]- 219207.79 180177.08 274154.42 346557.07 4402.12 Uridine diphosphate-N-acetylglucosamine-13C14[-H+]- 113797.76 69953.83 102358.51 116315.43 Uridine diphosphate-N-acetylglucosamine-13C15[-H+]- 40918.13 35413.77 60177.45 87041.88 Uridine diphosphate-N-acetylglucosamine-13C16[-H+]- 11188.94 41616.20 63576.24 Uridine diphosphate-N-acetylglucosamine-13C2[-H+]- 27849.48 37378.51 128117.34 188320.73 Uridine diphosphate-N-acetylglucosamine-13C3[-H+]- 26779.30 17126.40 68808.34 57100.37 Uridine diphosphate-N-acetylglucosamine-13C4[-H+]- 15980.90 56847.65 31607.41 Uridine diphosphate-N-acetylglucosamine-13C5[-H+]- 326145.48 378009.77 601271.37 722918.01 24141.19 73098.10 33573.82 35520.68 Uridine diphosphate-N-acetylglucosamine-13C6[-H+]- 3839906.09 4448246.74 11902837.81 8983376.84 654092.87 1639470.85 636695.23 745971.10 Uridine diphosphate-N-acetylglucosamine-13C7[-H+]- Uridine diphosphate-N-acetylglucosamine-13C8[-H+]- 1094714.42 1466075.76 3606977.96 4626121.49 30630.91 29272.31 15238.16 17496.78 Uridine diphosphate-N-acetylglucosamine-13C9[-H+]- UTP-13C0[-H+]- 262699.93 516775.74 4927754.21 4390431.84 23161.67 26699.34 19591.68 29047.35 UTP-13C1[-H+]- UTP-13C2[-H+]- UTP-13C4[-H+]- 6381.62 UTP-13C5[-H+]- 20489.26 31444.91 188634.82 168924.58 UTP-13C6[-H+]- 6538.24 6644.53 35635.71 33811.77 UTP-13C7[-H+]- 10047.21 51739.72 57709.58 UTP-13C8[-H+]- 30039.36 XMP-13C0[-H+]- 100047.89 61726.70 132030.49 129463.64 26908.28 143713.62 66195.81 20094.22 XMP-13C1[-H+]- XMP-13C3[-H+]- 3642.85 2597.36 metabolite_name assignment%method compound corrected_mz formula isotopologue isotopologue%type retention_time(min) (S)-Methylmalonic-13C0[-H+]- directly to standard (S)-Methylmalonic 101.02442 C4H6O3 13C0 13C 2.57 (S)-Methylmalonic-13C3[-H+]- indirectly to standard (S)-Methylmalonic 104.03448 C4H6O3 13C3 13C 2.57 (S)-Methylmalonic-13C4[-H+]- indirectly to standard (S)-Methylmalonic 105.03784 C4H6O3 13C4 13C 2.57 13BPG-13C0[-H+]- directly to standard 13BPG 264.95199 C3H8O10P2 13C0 13C 36.19 13BPG-13C2[-H+]- indirectly to standard 13BPG 266.9587 C3H8O10P2 13C2 13C 36.19 13BPG-13C3[-H+]- indirectly to standard 13BPG 267.96205 C3H8O10P2 13C3 13C 36.19 1-Pyrroline-2-carboxylic-13C3[-H+]- indirectly to standard 1-Pyrroline-2-carboxylic 115.05046 C5H7N1O2 13C3 13C 20.35 2HG-13C0[-H+]- database 2HG 147.0299 C5H8O5 13C0 13C 16.11 2HG-13C1[-H+]- database 2HG 148.03325 C5H8O5 13C1 13C 16.11 2HG-13C2[-H+]- database 2HG 149.03661 C5H8O5 13C2 13C 16.11 2HG-13C3[-H+]- database 2HG 150.03996 C5H8O5 13C3 13C 16.11 2HG-13C4[-H+]- database 2HG 151.04332 C5H8O5 13C4 13C 16.11 2HG-13C5[-H+]- database 2HG 152.04667 C5H8O5 13C5 13C 16.11 3PG-13C0[-H+]- directly to standard 3PG 184.98566 C3H7O7P 13C0 13C 26.76 3PG-13C1[-H+]- indirectly to standard 3PG 185.98901 C3H7O7P 13C1 13C 26.76 3PG-13C2[-H+]- indirectly to standard 3PG 186.99237 C3H7O7P 13C2 13C 26.78 3PG-13C3[-H+]- indirectly to standard 3PG 187.99572 C3H7O7P 13C3 13C 26.71 ADP-13C0[-H+]- directly to standard ADP 426.02214 C10H15N5O10P2 13C0 13C 32.76 ADP-13C1[-H+]- indirectly to standard ADP 427.02549 C10H15N5O10P2 13C1 13C 32.74 ADP-13C2[-H+]- indirectly to standard ADP 428.02885 C10H15N5O10P2 13C2 13C 32.76 ADP-13C3[-H+]- indirectly to standard ADP 429.0322 C10H15N5O10P2 13C3 13C 32.72 ADP-13C4[-H+]- indirectly to standard ADP 430.03556 C10H15N5O10P2 13C4 13C 32.76 ADP-13C5[-H+]- indirectly to standard ADP 431.03891 C10H15N5O10P2 13C5 13C 32.76 ADP-13C6[-H+]- indirectly to standard ADP 432.04227 C10H15N5O10P2 13C6 13C 32.76 aKG-13C0[-H+]- directly to standard aKG 145.01425 C5H6O5 13C0 13C 19.22 aKG-13C1[-H+]- indirectly to standard aKG 146.0176 C5H6O5 13C1 13C 19.22 aKG-13C2[-H+]- indirectly to standard aKG 147.02096 C5H6O5 13C2 13C 19.22 aKG-13C3[-H+]- indirectly to standard aKG 148.02431 C5H6O5 13C3 13C 19.22 aKG-13C4[-H+]- indirectly to standard aKG 149.02767 C5H6O5 13C4 13C 19.22 aKG-13C5[-H+]- indirectly to standard aKG 150.03102 C5H6O5 13C5 13C 19.22 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C0[-H+]- directly to standard Aminofructose 6-phosphate/Glucosamine 6-phosphate 258.03843 C6H14N1O8P 13C0 13C 13.44 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C1[-H+]- indirectly to standard Aminofructose 6-phosphate/Glucosamine 6-phosphate 259.04178 C6H14N1O8P 13C1 13C 13.44 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C2[-H+]- indirectly to standard Aminofructose 6-phosphate/Glucosamine 6-phosphate 260.04514 C6H14N1O8P 13C2 13C 13.52 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C3[-H+]- indirectly to standard Aminofructose 6-phosphate/Glucosamine 6-phosphate 261.04849 C6H14N1O8P 13C3 13C 13.44 Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C4[-H+]- indirectly to standard Aminofructose 6-phosphate/Glucosamine 6-phosphate 262.05185 C6H14N1O8P 13C4 13C 13.39 AMP-13C0[-H+]- directly to standard AMP 346.05581 C10H14N5O7P 13C0 13C 21.1 AMP-13C1[-H+]- indirectly to standard AMP 347.05916 C10H14N5O7P 13C1 13C 21.1 AMP-13C2[-H+]- indirectly to standard AMP 348.06252 C10H14N5O7P 13C2 13C 21.1 AMP-13C3[-H+]- indirectly to standard AMP 349.06587 C10H14N5O7P 13C3 13C 21.1 AMP-13C4[-H+]- indirectly to standard AMP 350.06923 C10H14N5O7P 13C4 13C 21.1 AMP-13C5[-H+]- indirectly to standard AMP 351.07258 C10H14N5O7P 13C5 13C 21.1 AMP-13C6[-H+]- indirectly to standard AMP 352.07594 C10H14N5O7P 13C6 13C 21.1 ATP-13C0[-H+]- directly to standard ATP 505.98847 C10H16N5O13P3 13C0 13C 37.81 ATP-13C1[-H+]- indirectly to standard ATP 506.99182 C10H16N5O13P3 13C1 13C 37.81 ATP-13C2[-H+]- indirectly to standard ATP 507.99518 C10H16N5O13P3 13C2 13C 37.81 ATP-13C3[-H+]- indirectly to standard ATP 508.99853 C10H16N5O13P3 13C3 13C 37.81 ATP-13C4[-H+]- indirectly to standard ATP 510.00189 C10H16N5O13P3 13C4 13C 37.81 ATP-13C5[-H+]- indirectly to standard ATP 511.00524 C10H16N5O13P3 13C5 13C 37.83 ATP-13C6[-H+]- indirectly to standard ATP 512.0086 C10H16N5O13P3 13C6 13C 37.83 ATP-13C7[-H+]- indirectly to standard ATP 513.01195 C10H16N5O13P3 13C7 13C 37.83 CDP-13C0[-H+]- directly to standard CDP 402.0109 C9H15N3O11P2 13C0 13C 16.32, 28.23 CDP-13C1[-H+]- indirectly to standard CDP 403.01425 C9H15N3O11P2 13C1 13C 16.32, 28.16, 28.23 CDP-13C5[-H+]- indirectly to standard CDP 407.02767 C9H15N3O11P2 13C5 13C 28.16 CDP-13C7[-H+]- indirectly to standard CDP 409.03438 C9H15N3O11P2 13C7 13C 28.16 cis-Aconitate-13C0[-H+]- directly to standard cis-Aconitate 173.00916 C6H6O6 13C0 13C 35.43 Citrate-13C0[-H+]- directly to standard Citrate 191.01973 C6H8O7 13C0 13C 28.57 Citrate-13C1[-H+]- indirectly to standard Citrate 192.02308 C6H8O7 13C1 13C 28.55 Citrate-13C2[-H+]- indirectly to standard Citrate 193.02644 C6H8O7 13C2 13C 28.57 Citrate-13C3[-H+]- indirectly to standard Citrate 194.02979 C6H8O7 13C3 13C 28.59 Citrate-13C4[-H+]- indirectly to standard Citrate 195.03315 C6H8O7 13C4 13C 28.57 Citrate-13C5[-H+]- indirectly to standard Citrate 196.0365 C6H8O7 13C5 13C 28.55 Citrate-13C6[-H+]- indirectly to standard Citrate 197.03986 C6H8O7 13C6 13C 28.55 CMP-13C1[-H+]- indirectly to standard CMP 323.04792 C9H14N3O8P 13C1 13C 16.32 CMP-13C2[-H+]- indirectly to standard CMP 324.05128 C9H14N3O8P 13C2 13C 16.32 CMP-13C3[-H+]- indirectly to standard CMP 325.05463 C9H14N3O8P 13C3 13C 16.32 CMP-13C5[-H+]- indirectly to standard CMP 327.06134 C9H14N3O8P 13C5 13C 16.32 CMP-13C6[-H+]- indirectly to standard CMP 328.0647 C9H14N3O8P 13C6 13C 16.32 CMP-13C7[-H+]- indirectly to standard CMP 329.06805 C9H14N3O8P 13C7 13C 16.32 CMP-13C9[-H+]- indirectly to standard CMP 331.07476 C9H14N3O8P 13C9 13C 16.32 CTP-13C0[-H+]- directly to standard CTP 481.97723 C9H16N3O14P3 13C0 13C 34.62 CTP-13C1[-H+]- indirectly to standard CTP 482.98058 C9H16N3O14P3 13C1 13C 34.62 Cyclic AMP-13C0[-H+]- directly to standard Cyclic AMP 328.04524 C10H12N5O6P 13C0 13C 19.5 Cyclic AMP-13C1[-H+]- indirectly to standard Cyclic AMP 329.04859 C10H12N5O6P 13C1 13C 19.52 Cyclic AMP-13C2[-H+]- indirectly to standard Cyclic AMP 330.05195 C10H12N5O6P 13C2 13C 19.52 Cyclic AMP-13C4[-H+]- indirectly to standard Cyclic AMP 332.05866 C10H12N5O6P 13C4 13C 19.52 Cyclic AMP-13C5[-H+]- indirectly to standard Cyclic AMP 333.06201 C10H12N5O6P 13C5 13C 19.45 Cyclic AMP-13C6[-H+]- indirectly to standard Cyclic AMP 334.06537 C10H12N5O6P 13C6 13C 19.54 Deoxycytidine-13C0[-H+]- directly to standard Deoxycytidine 226.08333 C9H13N3O4 13C0 13C 30.17 Deoxycytidine-13C1[-H+]- indirectly to standard Deoxycytidine 227.08668 C9H13N3O4 13C1 13C 30.28 Deoxycytidine-13C2[-H+]- indirectly to standard Deoxycytidine 228.09004 C9H13N3O4 13C2 13C 30.28 Deoxycytidine-13C3[-H+]- indirectly to standard Deoxycytidine 229.09339 C9H13N3O4 13C3 13C 30.28 Deoxycytidine-13C4[-H+]- indirectly to standard Deoxycytidine 230.09675 C9H13N3O4 13C4 13C 30.28 dGDP-13C0[-H+]- directly to standard dGDP 426.02214 C10H15N5O10P2 13C0 13C 32.76 dGDP-13C1[-H+]- indirectly to standard dGDP 427.02549 C10H15N5O10P2 13C1 13C 32.74 dGDP-13C2[-H+]- indirectly to standard dGDP 428.02885 C10H15N5O10P2 13C2 13C 32.76 dGDP-13C3[-H+]- indirectly to standard dGDP 429.0322 C10H15N5O10P2 13C3 13C 32.72 dGDP-13C4[-H+]- indirectly to standard dGDP 430.03556 C10H15N5O10P2 13C4 13C 32.76 dGDP-13C5[-H+]- indirectly to standard dGDP 431.03891 C10H15N5O10P2 13C5 13C 32.76 dGDP-13C6[-H+]- indirectly to standard dGDP 432.04227 C10H15N5O10P2 13C6 13C 32.76 D-Glucuronic-13C0[-H+]- directly to standard D-Glucuronic 273.00171 C6H11O10P 13C0 13C 26.48 D-Glucuronic-13C5[-H+]- indirectly to standard D-Glucuronic 278.01848 C6H11O10P 13C5 13C 26.48 D-Glucuronic-13C6[-H+]- indirectly to standard D-Glucuronic 279.02184 C6H11O10P 13C6 13C 26.48 dGTP-13C0[-H+]- directly to standard dGTP 505.98847 C10H16N5O13P3 13C0 13C 37.81 dGTP-13C1[-H+]- indirectly to standard dGTP 506.99182 C10H16N5O13P3 13C1 13C 37.78 dGTP-13C2[-H+]- indirectly to standard dGTP 507.99518 C10H16N5O13P3 13C2 13C 37.78 dGTP-13C3[-H+]- indirectly to standard dGTP 508.99853 C10H16N5O13P3 13C3 13C 37.78 dGTP-13C4[-H+]- indirectly to standard dGTP 510.00189 C10H16N5O13P3 13C4 13C 37.78 dGTP-13C5[-H+]- indirectly to standard dGTP 511.00524 C10H16N5O13P3 13C5 13C 37.83 dGTP-13C6[-H+]- indirectly to standard dGTP 512.0086 C10H16N5O13P3 13C6 13C 37.83 dGTP-13C7[-H+]- indirectly to standard dGTP 513.01195 C10H16N5O13P3 13C7 13C 37.83 D-Ribose and L-Arabinose-13C0[-H+]- directly to standard D-Ribose and L-Arabinose 149.04555 C5H10O5 13C0 13C 2.42 D-Ribose and L-Arabinose-13C5[-H+]- indirectly to standard D-Ribose and L-Arabinose 154.06232 C5H10O5 13C5 13C 2.42 D-Ribulose-13C0[-H+]- directly to standard D-Ribulose 229.01188 C5H11O8P 13C0 13C 20.43 D-Ribulose-13C1[-H+]- indirectly to standard D-Ribulose 230.01523 C5H11O8P 13C1 13C 20.43 D-Ribulose-13C2[-H+]- indirectly to standard D-Ribulose 231.01859 C5H11O8P 13C2 13C 20.43 D-Ribulose-13C3[-H+]- indirectly to standard D-Ribulose 232.02194 C5H11O8P 13C3 13C 20.43 D-Ribulose-13C4[-H+]- indirectly to standard D-Ribulose 233.0253 C5H11O8P 13C4 13C 20.43 D-Ribulose-13C5[-H+]- indirectly to standard D-Ribulose 234.02865 C5H11O8P 13C5 13C 20.43 dTMP-13C0[-H+]- directly to standard dTMP 321.04933 C10H15N2O8P 13C0 13C 28.72 dUDP-13C0[-H+]- directly to standard dUDP 387.00001 C9H14N2O11P2 13C0 13C 30.94 dUMP-13C0[-H+]- directly to standard dUMP 307.03368 C9H13N2O8P 13C0 13C 28.51 D-Xylose/D-Xylulose-13C0[-H+]- directly to standard D-Xylose/D-Xylulose 149.04555 C5H10O5 13C0 13C 2.42 D-Xylose/D-Xylulose-13C5[-H+]- indirectly to standard D-Xylose/D-Xylulose 154.06232 C5H10O5 13C5 13C 2.42 E4P-13C0[-H+]- directly to standard E4P 199.00131 C4H9O7P 13C0 13C 32.8 E4P-13C4[-H+]- indirectly to standard E4P 203.01473 C4H9O7P 13C4 13C 32.8 Erythrose-13C0[-H+]- database Erythrose 119.03498 C4H8O4 13C0 13C 6.79, 16.32 Erythrose-13C1[-H+]- database Erythrose 120.03833 C4H8O4 13C1 13C 6.79, 16.32 Erythrose-13C4[-H+]- database Erythrose 123.0484 C4H8O4 13C4 13C 6.84 F16P-13C0[-H+]- directly to standard F16P 338.98877 C6H14O12P2 13C0 13C 34.05 F16P-13C3[-H+]- indirectly to standard F16P 341.99883 C6H14O12P2 13C3 13C 34.05 F16P-13C4[-H+]- indirectly to standard F16P 343.00219 C6H14O12P2 13C4 13C 34.05 F16P-13C5[-H+]- indirectly to standard F16P 344.00554 C6H14O12P2 13C5 13C 34.05 F16P-13C6[-H+]- indirectly to standard F16P 345.0089 C6H14O12P2 13C6 13C 34.05 F26P-13C0[-H+]- database F26P 338.98877 C6H14O12P2 13C0 13C 39.83 F26P-13C1[-H+]- database F26P 339.99212 C6H14O12P2 13C1 13C 39.81 F6P-13C0[-H+]- directly to standard F6P 259.02244 C6H13O9P 13C0 13C 16.32, 19.35 F6P-13C2[-H+]- indirectly to standard F6P 261.02915 C6H13O9P 13C2 13C 19.35 F6P-13C3[-H+]- indirectly to standard F6P 262.0325 C6H13O9P 13C3 13C 19.35 F6P-13C4[-H+]- indirectly to standard F6P 263.03586 C6H13O9P 13C4 13C 19.35 F6P-13C5[-H+]- indirectly to standard F6P 264.03921 C6H13O9P 13C5 13C 16.32, 19.35 F6P-13C6[-H+]- indirectly to standard F6P 265.04257 C6H13O9P 13C6 13C 19.35 Fumarate-13C0[-H+]- directly to standard Fumarate 115.00368 C4H4O4 13C0 13C 20.36 Fumarate-13C1[-H+]- indirectly to standard Fumarate 116.00703 C4H4O4 13C1 13C 20.36 Fumarate-13C2[-H+]- indirectly to standard Fumarate 117.01039 C4H4O4 13C2 13C 20.34 Fumarate-13C3[-H+]- indirectly to standard Fumarate 118.01374 C4H4O4 13C3 13C 20.3 Fumarate-13C4[-H+]- indirectly to standard Fumarate 119.0171 C4H4O4 13C4 13C 20.3 G1P-13C0[-H+]- directly to standard G1P 259.02244 C6H13O9P 13C0 13C 15.2 G1P-13C5[-H+]- indirectly to standard G1P 264.03921 C6H13O9P 13C5 13C 15.15 G1P-13C6[-H+]- indirectly to standard G1P 265.04257 C6H13O9P 13C6 13C 15.15 G6P-13C0[-H+]- directly to standard G6P 259.02244 C6H13O9P 13C0 13C 16.32, 18.87 G6P-13C1[-H+]- indirectly to standard G6P 260.02579 C6H13O9P 13C1 13C 18.87 G6P-13C2[-H+]- indirectly to standard G6P 261.02915 C6H13O9P 13C2 13C 18.87 G6P-13C3[-H+]- indirectly to standard G6P 262.0325 C6H13O9P 13C3 13C 16.32, 18.87 G6P-13C4[-H+]- indirectly to standard G6P 263.03586 C6H13O9P 13C4 13C 18.87 G6P-13C5[-H+]- indirectly to standard G6P 264.03921 C6H13O9P 13C5 13C 18.87 G6P-13C6[-H+]- indirectly to standard G6P 265.04257 C6H13O9P 13C6 13C 18.87 GalactitolAndSorbitol-13C0[-H+]- directly to standard GalactitolAndSorbitol 181.07176 C6H14O6 13C0 13C 2.24 GalactitolAndSorbitol-13C1[-H+]- indirectly to standard GalactitolAndSorbitol 182.07511 C6H14O6 13C1 13C 2.24 GalactitolAndSorbitol-13C5[-H+]- indirectly to standard GalactitolAndSorbitol 186.08853 C6H14O6 13C5 13C 2.24 GalactitolAndSorbitol-13C6[-H+]- indirectly to standard GalactitolAndSorbitol 187.09189 C6H14O6 13C6 13C 2.24 Galactose 6-phosphate-13C0[-H+]- directly to standard Galactose 6-phosphate 259.02244 C6H13O9P 13C0 13C 17.84 Galactose 6-phosphate-13C3[-H+]- indirectly to standard Galactose 6-phosphate 262.0325 C6H13O9P 13C3 13C 17.84 Galactose 6-phosphate-13C5[-H+]- indirectly to standard Galactose 6-phosphate 264.03921 C6H13O9P 13C5 13C 17.77 Galactose 6-phosphate-13C6[-H+]- indirectly to standard Galactose 6-phosphate 265.04257 C6H13O9P 13C6 13C 17.77 Galacturonic acid/D-Glucuronic acid-13C0[-H+]- directly to standard Galacturonic acid/D-Glucuronic acid 193.03538 C6H10O7 13C0 13C 10.78 Galacturonic acid/D-Glucuronic acid-13C1[-H+]- indirectly to standard Galacturonic acid/D-Glucuronic acid 194.03873 C6H10O7 13C1 13C 10.78 Galacturonic acid/D-Glucuronic acid-13C5[-H+]- indirectly to standard Galacturonic acid/D-Glucuronic acid 198.05215 C6H10O7 13C5 13C 10.78 Galacturonic acid/D-Glucuronic acid-13C6[-H+]- indirectly to standard Galacturonic acid/D-Glucuronic acid 199.05551 C6H10O7 13C6 13C 10.73 GDP-13C0[-H+]- directly to standard GDP 442.01705 C10H15N5O11P2 13C0 13C 40.43 GDP-13C1[-H+]- indirectly to standard GDP 443.0204 C10H15N5O11P2 13C1 13C 40.43 GDP-13C2[-H+]- indirectly to standard GDP 444.02376 C10H15N5O11P2 13C2 13C 40.43 GDP-13C3[-H+]- indirectly to standard GDP 445.02711 C10H15N5O11P2 13C3 13C 40.43 GDP-13C4[-H+]- indirectly to standard GDP 446.03047 C10H15N5O11P2 13C4 13C 40.43 GDP-13C5[-H+]- indirectly to standard GDP 447.03382 C10H15N5O11P2 13C5 13C 40.41 GDP-13C6[-H+]- indirectly to standard GDP 448.03718 C10H15N5O11P2 13C6 13C 40.43 Glyceric acid-13C0[-H+]- database Glyceric acid 105.01933 C3H6O4 13C0 13C 26.69 Glyceric acid-13C3[-H+]- database Glyceric acid 108.02939 C3H6O4 13C3 13C 26.71 GMP-13C0[-H+]- directly to standard GMP 362.05072 C10H14N5O8P 13C0 13C 35.35 GMP-13C1[-H+]- indirectly to standard GMP 363.05407 C10H14N5O8P 13C1 13C 35.35 GMP-13C5[-H+]- indirectly to standard GMP 367.06749 C10H14N5O8P 13C5 13C 35.35 GSH-13C0[-H+]- directly to standard GSH 306.07653 C10H17N3O6S 13C0 13C 25.5 GSH-13C1[-H+]- indirectly to standard GSH 307.07988 C10H17N3O6S 13C1 13C 25.48 GSH-13C2[-H+]- indirectly to standard GSH 308.08324 C10H17N3O6S 13C2 13C 25.5 GSH-13C3[-H+]- indirectly to standard GSH 309.08659 C10H17N3O6S 13C3 13C 25.44 GSH-13C4[-H+]- indirectly to standard GSH 310.08995 C10H17N3O6S 13C4 13C 25.44 GSH-13C5[-H+]- indirectly to standard GSH 311.0933 C10H17N3O6S 13C5 13C 25.5 GSH-13C6[-H+]- indirectly to standard GSH 312.09666 C10H17N3O6S 13C6 13C 25.5 GTP-13C0[-H+]- directly to standard GTP 521.98338 C10H16N5O14P3 13C0 13C 44.03 GTP-13C1[-H+]- indirectly to standard GTP 522.98673 C10H16N5O14P3 13C1 13C 44.03 GTP-13C2[-H+]- indirectly to standard GTP 523.99009 C10H16N5O14P3 13C2 13C 44.03 GTP-13C3[-H+]- indirectly to standard GTP 524.99344 C10H16N5O14P3 13C3 13C 44.03 GTP-13C4[-H+]- indirectly to standard GTP 525.9968 C10H16N5O14P3 13C4 13C 44.03 GTP-13C5[-H+]- indirectly to standard GTP 527.00015 C10H16N5O14P3 13C5 13C 44.03 GTP-13C6[-H+]- indirectly to standard GTP 528.00351 C10H16N5O14P3 13C6 13C 44.03 Gulonic and Galactonic and Gluconic acid-13C0[-H+]- database Gulonic and Galactonic and Gluconic acid 195.05103 C6H12O7 13C0 13C 6.75 Gulonic and Galactonic and Gluconic acid-13C1[-H+]- database Gulonic and Galactonic and Gluconic acid 196.05438 C6H12O7 13C1 13C 6.7 Gulonic and Galactonic and Gluconic acid-13C2[-H+]- database Gulonic and Galactonic and Gluconic acid 197.05774 C6H12O7 13C2 13C 6.75 Gulonic and Galactonic and Gluconic acid-13C3[-H+]- database Gulonic and Galactonic and Gluconic acid 198.06109 C6H12O7 13C3 13C 6.7 Gulonic and Galactonic and Gluconic acid-13C4[-H+]- database Gulonic and Galactonic and Gluconic acid 199.06445 C6H12O7 13C4 13C 6.7 Gulonic and Galactonic and Gluconic acid-13C5[-H+]- database Gulonic and Galactonic and Gluconic acid 200.0678 C6H12O7 13C5 13C 6.75 Gulonic and Galactonic and Gluconic acid-13C6[-H+]- database Gulonic and Galactonic and Gluconic acid 201.07116 C6H12O7 13C6 13C 6.75 Hexoses-13C0[-H+]- directly to standard Hexoses 179.05611 C6H12O6 13C0 13C 2.2 Hexoses-13C1[-H+]- indirectly to standard Hexoses 180.05946 C6H12O6 13C1 13C 2.24 Hexoses-13C2[-H+]- indirectly to standard Hexoses 181.06282 C6H12O6 13C2 13C 2.27 Hexoses-13C5[-H+]- indirectly to standard Hexoses 184.07288 C6H12O6 13C5 13C 2.27 Hexoses-13C6[-H+]- indirectly to standard Hexoses 185.07624 C6H12O6 13C6 13C 2.53 IMP-13C0[-H+]- directly to standard IMP 347.03982 C10H13N4O8P 13C0 13C 34.6 IMP-13C5[-H+]- indirectly to standard IMP 352.05659 C10H13N4O8P 13C5 13C 34.6 Isocitrate-13C0[-H+]- directly to standard Isocitrate 191.01973 C6H8O7 13C0 13C 29.01 Isocitrate-13C1[-H+]- indirectly to standard Isocitrate 192.02308 C6H8O7 13C1 13C 29.01 Isocitrate-13C2[-H+]- indirectly to standard Isocitrate 193.02644 C6H8O7 13C2 13C 29.01 Itaconic acid-13C0[-H+]- directly to standard Itaconic acid 129.01933 C5H6O4 13C0 13C 16.32, 17.88 Itaconic acid-13C1[-H+]- indirectly to standard Itaconic acid 130.02268 C5H6O4 13C1 13C 17.88 Itaconic acid-13C4[-H+]- indirectly to standard Itaconic acid 133.03275 C5H6O4 13C4 13C 16.32 Itaconic acid-13C5[-H+]- indirectly to standard Itaconic acid 134.0361 C5H6O4 13C5 13C 17.88 Lactate-13C0[-H+]- directly to standard Lactate 89.02442 C3H6O3 13C0 13C 7.05 Lactate-13C1[-H+]- indirectly to standard Lactate 90.02777 C3H6O3 13C1 13C 7.05 Lactate-13C2[-H+]- indirectly to standard Lactate 91.03113 C3H6O3 13C2 13C 6.99 Lactate-13C3[-H+]- indirectly to standard Lactate 92.03448 C3H6O3 13C3 13C 7.05 L-Aspartic acid-13C0[-H+]- directly to standard L-Aspartic acid 132.03023 C4H7N1O4 13C0 13C 15.46 L-Aspartic acid-13C1[-H+]- indirectly to standard L-Aspartic acid 133.03358 C4H7N1O4 13C1 13C 15.44 L-Aspartic acid-13C2[-H+]- indirectly to standard L-Aspartic acid 134.03694 C4H7N1O4 13C2 13C 15.5 L-Aspartic acid-13C3[-H+]- indirectly to standard L-Aspartic acid 135.04029 C4H7N1O4 13C3 13C 15.46 L-Aspartic acid-13C4[-H+]- indirectly to standard L-Aspartic acid 136.04365 C4H7N1O4 13C4 13C 15.3 L-Glutamic-13C0[-H+]- directly to standard L-Glutamic 146.04588 C5H9N1O4 13C0 13C 18.18 L-Glutamic-13C1[-H+]- indirectly to standard L-Glutamic 147.04923 C5H9N1O4 13C1 13C 18.23 L-Glutamic-13C2[-H+]- indirectly to standard L-Glutamic 148.05259 C5H9N1O4 13C2 13C 18.23 L-Glutamic-13C3[-H+]- indirectly to standard L-Glutamic 149.05594 C5H9N1O4 13C3 13C 18.23 L-Glutamic-13C4[-H+]- indirectly to standard L-Glutamic 150.0593 C5H9N1O4 13C4 13C 18.16 L-Glutamic-13C5[-H+]- indirectly to standard L-Glutamic 151.06265 C5H9N1O4 13C5 13C 18.21 L-Xylonate-13C0[-H+]- database L-Xylonate 165.04046 C5H10O6 13C0 13C 6.77, 16.32 L-Xylonate-13C1[-H+]- database L-Xylonate 166.04381 C5H10O6 13C1 13C 6.79, 16.32 L-Xylonate-13C4[-H+]- database L-Xylonate 169.05388 C5H10O6 13C4 13C 6.77 L-Xylonate-13C5[-H+]- database L-Xylonate 170.05723 C5H10O6 13C5 13C 6.79 Malate-13C0[-H+]- directly to standard Malate 133.01425 C4H6O5 13C0 13C 16.5 Malate-13C1[-H+]- indirectly to standard Malate 134.0176 C4H6O5 13C1 13C 16.5 Malate-13C2[-H+]- indirectly to standard Malate 135.02096 C4H6O5 13C2 13C 16.5 Malate-13C3[-H+]- indirectly to standard Malate 136.02431 C4H6O5 13C3 13C 16.5 Malate-13C4[-H+]- indirectly to standard Malate 137.02767 C4H6O5 13C4 13C 16.5 Mannose 6-phosphate-13C0[-H+]- directly to standard Mannose 6-phosphate 259.02244 C6H13O9P 13C0 13C 19.89 Mannose 6-phosphate-13C1[-H+]- indirectly to standard Mannose 6-phosphate 260.02579 C6H13O9P 13C1 13C 19.89 Mannose 6-phosphate-13C2[-H+]- indirectly to standard Mannose 6-phosphate 261.02915 C6H13O9P 13C2 13C 19.89 Mannose 6-phosphate-13C3[-H+]- indirectly to standard Mannose 6-phosphate 262.0325 C6H13O9P 13C3 13C 19.89 Mannose 6-phosphate-13C4[-H+]- indirectly to standard Mannose 6-phosphate 263.03586 C6H13O9P 13C4 13C 19.89 Mannose 6-phosphate-13C5[-H+]- indirectly to standard Mannose 6-phosphate 264.03921 C6H13O9P 13C5 13C 19.76 Mannose 6-phosphate-13C6[-H+]- indirectly to standard Mannose 6-phosphate 265.04257 C6H13O9P 13C6 13C 19.8 N-Acetylglutamic-13C0[-H+]- directly to standard N-Acetylglutamic 188.05645 C7H11N1O5 13C0 13C 14.54 N-Acetylglutamic-13C1[-H+]- indirectly to standard N-Acetylglutamic 189.0598 C7H11N1O5 13C1 13C 14.57 N-Acetylglutamic-13C2[-H+]- indirectly to standard N-Acetylglutamic 190.06316 C7H11N1O5 13C2 13C 14.54 N-Acetylglutamic-13C3[-H+]- indirectly to standard N-Acetylglutamic 191.06651 C7H11N1O5 13C3 13C 14.59 N-Acetylglutamic-13C4[-H+]- indirectly to standard N-Acetylglutamic 192.06987 C7H11N1O5 13C4 13C 14.5 N-Acetylglutamic-13C5[-H+]- indirectly to standard N-Acetylglutamic 193.07322 C7H11N1O5 13C5 13C 14.57 N-Acetylglutamic-13C6[-H+]- indirectly to standard N-Acetylglutamic 194.07658 C7H11N1O5 13C6 13C 14.57 N-Acetylglutamic-13C7[-H+]- indirectly to standard N-Acetylglutamic 195.07993 C7H11N1O5 13C7 13C 14.57 NADH-13C0[-H+]- directly to standard NADH 664.11749 C21H29N7O14P2 13C0 13C 28.4 NADH-13C1[-H+]- indirectly to standard NADH 665.12084 C21H29N7O14P2 13C1 13C 28.38, 28.4 NADH-13C10[-H+]- indirectly to standard NADH 674.15104 C21H29N7O14P2 13C10 13C 28.42 NADH-13C11[-H+]- indirectly to standard NADH 675.15439 C21H29N7O14P2 13C11 13C 28.4 NADH-13C2[-H+]- indirectly to standard NADH 666.1242 C21H29N7O14P2 13C2 13C 28.4 NADH-13C4[-H+]- indirectly to standard NADH 668.13091 C21H29N7O14P2 13C4 13C 28.4 NADH-13C5[-H+]- indirectly to standard NADH 669.13426 C21H29N7O14P2 13C5 13C 28.38 NADH-13C6[-H+]- indirectly to standard NADH 670.13762 C21H29N7O14P2 13C6 13C 28.4 NADH-13C7[-H+]- indirectly to standard NADH 671.14097 C21H29N7O14P2 13C7 13C 28.4 NADH-13C8[-H+]- indirectly to standard NADH 672.14433 C21H29N7O14P2 13C8 13C 28.4 NADH-13C9[-H+]- indirectly to standard NADH 673.14768 C21H29N7O14P2 13C9 13C 28.4 Pantothenic acid-13C0[-H+]- database Pantothenic acid 218.1034 C9H17N1O5 13C0 13C 7.05 Pantothenic acid-13C1[-H+]- database Pantothenic acid 219.10675 C9H17N1O5 13C1 13C 7.05 Pantothenic acid-13C2[-H+]- database Pantothenic acid 220.11011 C9H17N1O5 13C2 13C 7.05 PEP-13C0[-H+]- directly to standard PEP 166.9751 C3H5O6P 13C0 13C 30.32 PEP-13C2[-H+]- indirectly to standard PEP 168.98181 C3H5O6P 13C2 13C 30.32 PEP-13C3[-H+]- indirectly to standard PEP 169.98516 C3H5O6P 13C3 13C 30.32 Phosphocreatine-13C0[-H+]- directly to standard Phosphocreatine 210.02853 C4H10N3O5P 13C0 13C 12.49 Phosphocreatine-13C1[-H+]- indirectly to standard Phosphocreatine 211.03188 C4H10N3O5P 13C1 13C 12.46 Phosphoserine-13C0[-H+]- database Phosphoserine 184.00165 C3H8N1O6P 13C0 13C 24.99 Pyroglutamic acid-13C0[-H+]- directly to standard Pyroglutamic acid 128.03532 C5H7N1O3 13C0 13C 6.66 Pyroglutamic acid-13C1[-H+]- indirectly to standard Pyroglutamic acid 129.03867 C5H7N1O3 13C1 13C 6.66 Pyroglutamic acid-13C2[-H+]- indirectly to standard Pyroglutamic acid 130.04203 C5H7N1O3 13C2 13C 6.62 Pyroglutamic acid-13C3[-H+]- indirectly to standard Pyroglutamic acid 131.04538 C5H7N1O3 13C3 13C 6.66 Pyroglutamic acid-13C4[-H+]- indirectly to standard Pyroglutamic acid 132.04874 C5H7N1O3 13C4 13C 6.62 Pyroglutamic acid-13C5[-H+]- indirectly to standard Pyroglutamic acid 133.05209 C5H7N1O3 13C5 13C 6.62 Pyruvate-13C0[-H+]- directly to standard Pyruvate 87.00877 C3H4O3 13C0 13C 8.64 Pyruvate-13C1[-H+]- indirectly to standard Pyruvate 88.01212 C3H4O3 13C1 13C 8.64 Pyruvate-13C2[-H+]- indirectly to standard Pyruvate 89.01548 C3H4O3 13C2 13C 8.64 Pyruvate-13C3[-H+]- indirectly to standard Pyruvate 90.01883 C3H4O3 13C3 13C 8.64 R1P-13C0[-H+]- directly to standard R1P 229.01188 C5H11O8P 13C0 13C 14.31 R1P-13C5[-H+]- indirectly to standard R1P 234.02865 C5H11O8P 13C5 13C 14.31 R5P-13C0[-H+]- directly to standard R5P 229.01188 C5H11O8P 13C0 13C 20.43 R5P-13C1[-H+]- indirectly to standard R5P 230.01523 C5H11O8P 13C1 13C 20.43 R5P-13C2[-H+]- indirectly to standard R5P 231.01859 C5H11O8P 13C2 13C 20.43 R5P-13C3[-H+]- indirectly to standard R5P 232.02194 C5H11O8P 13C3 13C 20.43 R5P-13C4[-H+]- indirectly to standard R5P 233.0253 C5H11O8P 13C4 13C 20.43 R5P-13C5[-H+]- indirectly to standard R5P 234.02865 C5H11O8P 13C5 13C 20.43 S7P-13C0[-H+]- directly to standard S7P 289.03301 C7H15O10P 13C0 13C 21.01 S7P-13C1[-H+]- indirectly to standard S7P 290.03636 C7H15O10P 13C1 13C 21.01 S7P-13C2[-H+]- indirectly to standard S7P 291.03972 C7H15O10P 13C2 13C 21.01 S7P-13C3[-H+]- indirectly to standard S7P 292.04307 C7H15O10P 13C3 13C 21.01 S7P-13C4[-H+]- indirectly to standard S7P 293.04643 C7H15O10P 13C4 13C 21.01 S7P-13C5[-H+]- indirectly to standard S7P 294.04978 C7H15O10P 13C5 13C 21.01 S7P-13C6[-H+]- indirectly to standard S7P 295.05314 C7H15O10P 13C6 13C 21.01 S7P-13C7[-H+]- indirectly to standard S7P 296.05649 C7H15O10P 13C7 13C 20.99 Succinate-13C0[-H+]- directly to standard Succinate 117.01933 C4H6O4 13C0 13C 16.39 Succinate-13C1[-H+]- indirectly to standard Succinate 118.02268 C4H6O4 13C1 13C 16.39 Succinate-13C2[-H+]- indirectly to standard Succinate 119.02604 C4H6O4 13C2 13C 16.39 Succinate-13C3[-H+]- indirectly to standard Succinate 120.02939 C4H6O4 13C3 13C 16.41 Succinate-13C4[-H+]- indirectly to standard Succinate 121.03275 C4H6O4 13C4 13C 16.41 SucroseAndDischarrides-13C0[-H+]- directly to standard SucroseAndDischarrides 341.10893 C12H22O11 13C0 13C 2.68 SucroseAndDischarrides-13C1[-H+]- indirectly to standard SucroseAndDischarrides 342.11228 C12H22O11 13C1 13C 2.68 SucroseAndDischarrides-13C10[-H+]- indirectly to standard SucroseAndDischarrides 351.14248 C12H22O11 13C10 13C 2.68 SucroseAndDischarrides-13C11[-H+]- indirectly to standard SucroseAndDischarrides 352.14583 C12H22O11 13C11 13C 2.68 SucroseAndDischarrides-13C12[-H+]- indirectly to standard SucroseAndDischarrides 353.14919 C12H22O11 13C12 13C 2.68 SucroseAndDischarrides-13C6[-H+]- indirectly to standard SucroseAndDischarrides 347.12906 C12H22O11 13C6 13C 2.68 SucroseAndDischarrides-13C9[-H+]- indirectly to standard SucroseAndDischarrides 350.13912 C12H22O11 13C9 13C 2.68 Taurine-13C0[-H+]- database Taurine 124.00739 C2H7N1O3S 13C0 13C 7.12 Taurine-13C1[-H+]- database Taurine 125.01074 C2H7N1O3S 13C1 13C 7.14 UDP-13C0[-H+]- directly to standard UDP 402.99492 C9H14N2O12P2 13C0 13C 2.68, 37.12 UDP-13C1[-H+]- indirectly to standard UDP 403.99827 C9H14N2O12P2 13C1 13C 2.68, 37.12, 37.16 UDP-13C5[-H+]- indirectly to standard UDP 408.01169 C9H14N2O12P2 13C5 13C 37.16 UDP-13C6[-H+]- indirectly to standard UDP 409.01505 C9H14N2O12P2 13C6 13C 37.16 UDP-13C7[-H+]- indirectly to standard UDP 410.0184 C9H14N2O12P2 13C7 13C 37.16 UDP-13C8[-H+]- indirectly to standard UDP 411.02176 C9H14N2O12P2 13C8 13C 37.16 UDP-N-acetyl-alpha-D-galactosamine-13C0[-H+]- directly to standard UDP-N-acetyl-alpha-D-galactosamine 606.07429 C17H27N3O17P2 13C0 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C1[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 607.07764 C17H27N3O17P2 13C1 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C10[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 616.10784 C17H27N3O17P2 13C10 13C 29.31 UDP-N-acetyl-alpha-D-galactosamine-13C11[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 617.11119 C17H27N3O17P2 13C11 13C 29.31 UDP-N-acetyl-alpha-D-galactosamine-13C12[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 618.11455 C17H27N3O17P2 13C12 13C 29.29 UDP-N-acetyl-alpha-D-galactosamine-13C13[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 619.1179 C17H27N3O17P2 13C13 13C 29.31 UDP-N-acetyl-alpha-D-galactosamine-13C14[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 620.12126 C17H27N3O17P2 13C14 13C 29.31 UDP-N-acetyl-alpha-D-galactosamine-13C15[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 621.12461 C17H27N3O17P2 13C15 13C 29.31 UDP-N-acetyl-alpha-D-galactosamine-13C16[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 622.12797 C17H27N3O17P2 13C16 13C 29.31 UDP-N-acetyl-alpha-D-galactosamine-13C2[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 608.081 C17H27N3O17P2 13C2 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C3[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 609.08435 C17H27N3O17P2 13C3 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C4[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 610.08771 C17H27N3O17P2 13C4 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C5[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 611.09106 C17H27N3O17P2 13C5 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C6[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 612.09442 C17H27N3O17P2 13C6 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C7[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 613.09777 C17H27N3O17P2 13C7 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C8[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 614.10113 C17H27N3O17P2 13C8 13C 29.37 UDP-N-acetyl-alpha-D-galactosamine-13C9[-H+]- indirectly to standard UDP-N-acetyl-alpha-D-galactosamine 615.10448 C17H27N3O17P2 13C9 13C 29.31 UMP-13C0[-H+]- directly to standard UMP 323.02859 C9H13N2O9P 13C0 13C 31.01 UMP-13C1[-H+]- indirectly to standard UMP 324.03194 C9H13N2O9P 13C1 13C 30.99 UMP-13C2[-H+]- indirectly to standard UMP 325.0353 C9H13N2O9P 13C2 13C 30.99 UMP-13C3[-H+]- indirectly to standard UMP 326.03865 C9H13N2O9P 13C3 13C 30.99 UMP-13C4[-H+]- indirectly to standard UMP 327.04201 C9H13N2O9P 13C4 13C 30.95 UMP-13C5[-H+]- indirectly to standard UMP 328.04536 C9H13N2O9P 13C5 13C 30.97 UMP-13C6[-H+]- indirectly to standard UMP 329.04872 C9H13N2O9P 13C6 13C 30.99 UMP-13C7[-H+]- indirectly to standard UMP 330.05207 C9H13N2O9P 13C7 13C 30.97 UMP-13C8[-H+]- indirectly to standard UMP 331.05543 C9H13N2O9P 13C8 13C 31.01 UMP-13C9[-H+]- indirectly to standard UMP 332.05878 C9H13N2O9P 13C9 13C 31.01 Uracil-13C0[-H+]- directly to standard Uracil 111.02 C4H4N2O2 13C0 13C 29.33 Uracil-13C1[-H+]- indirectly to standard Uracil 112.02335 C4H4N2O2 13C1 13C 29.33 Uracil-13C2[-H+]- indirectly to standard Uracil 113.02671 C4H4N2O2 13C2 13C 29.33 Uracil-13C3[-H+]- indirectly to standard Uracil 114.03006 C4H4N2O2 13C3 13C 29.33 Uric acid-13C0[-H+]- database Uric acid 167.02106 C5H4N4O3 13C0 13C 28.94 Uric acid-13C1[-H+]- database Uric acid 168.02441 C5H4N4O3 13C1 13C 28.94 Uridine diphosphate-N-acetylglucosamine-13C0[-H+]- directly to standard Uridine diphosphate-N-acetylglucosamine 606.07429 C17H27N3O17P2 13C0 13C 28.92 Uridine diphosphate-N-acetylglucosamine-13C1[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 607.07764 C17H27N3O17P2 13C1 13C 28.92 Uridine diphosphate-N-acetylglucosamine-13C10[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 616.10784 C17H27N3O17P2 13C10 13C 28.9 Uridine diphosphate-N-acetylglucosamine-13C11[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 617.11119 C17H27N3O17P2 13C11 13C 28.83 Uridine diphosphate-N-acetylglucosamine-13C12[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 618.11455 C17H27N3O17P2 13C12 13C 28.9 Uridine diphosphate-N-acetylglucosamine-13C13[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 619.1179 C17H27N3O17P2 13C13 13C 28.9 Uridine diphosphate-N-acetylglucosamine-13C14[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 620.12126 C17H27N3O17P2 13C14 13C 28.9 Uridine diphosphate-N-acetylglucosamine-13C15[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 621.12461 C17H27N3O17P2 13C15 13C 28.9 Uridine diphosphate-N-acetylglucosamine-13C16[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 622.12797 C17H27N3O17P2 13C16 13C 28.9 Uridine diphosphate-N-acetylglucosamine-13C2[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 608.081 C17H27N3O17P2 13C2 13C 28.92 Uridine diphosphate-N-acetylglucosamine-13C3[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 609.08435 C17H27N3O17P2 13C3 13C 28.92 Uridine diphosphate-N-acetylglucosamine-13C4[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 610.08771 C17H27N3O17P2 13C4 13C 28.92 Uridine diphosphate-N-acetylglucosamine-13C5[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 611.09106 C17H27N3O17P2 13C5 13C 28.96 Uridine diphosphate-N-acetylglucosamine-13C6[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 612.09442 C17H27N3O17P2 13C6 13C 28.88 Uridine diphosphate-N-acetylglucosamine-13C7[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 613.09777 C17H27N3O17P2 13C7 13C 28.88 Uridine diphosphate-N-acetylglucosamine-13C8[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 614.10113 C17H27N3O17P2 13C8 13C 28.9 Uridine diphosphate-N-acetylglucosamine-13C9[-H+]- indirectly to standard Uridine diphosphate-N-acetylglucosamine 615.10448 C17H27N3O17P2 13C9 13C 28.9 UTP-13C0[-H+]- directly to standard UTP 482.96125 C9H15N2O15P3 13C0 13C 40.78 UTP-13C1[-H+]- indirectly to standard UTP 483.9646 C9H15N2O15P3 13C1 13C 40.78 UTP-13C2[-H+]- indirectly to standard UTP 484.96796 C9H15N2O15P3 13C2 13C 40.78 UTP-13C4[-H+]- indirectly to standard UTP 486.97467 C9H15N2O15P3 13C4 13C 40.78 UTP-13C5[-H+]- indirectly to standard UTP 487.97802 C9H15N2O15P3 13C5 13C 40.78 UTP-13C6[-H+]- indirectly to standard UTP 488.98138 C9H15N2O15P3 13C6 13C 40.78 UTP-13C7[-H+]- indirectly to standard UTP 489.98473 C9H15N2O15P3 13C7 13C 40.78 UTP-13C8[-H+]- indirectly to standard UTP 490.98809 C9H15N2O15P3 13C8 13C 40.78 XMP-13C0[-H+]- database XMP 363.03474 C10H13N4O9P 13C0 13C 35.37 XMP-13C1[-H+]- database XMP 364.03809 C10H13N4O9P 13C1 13C 35.43 XMP-13C3[-H+]- database XMP 366.0448 C10H13N4O9P 13C3 13C 35.43