Data for ST003888
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 2-Aminoadipic acid_C12 PARENT | 2947165.80 | 3089496.43 | 2597096.83 | 1598449.00 | 4865821.14 | 3748999.75 | 2741533.33 | 3874441.14 | |
| 2-Aminoadipic acid_C13-label-1 | 185156.60 | 228988.57 | 118807.83 | 239803.00 | 327956.57 | 249291.25 | 187451.33 | 152574.00 | |
| 2-methylcitrate_C12 PARENT | 560524.40 | 172697.14 | 602711.17 | 707589.80 | 1017590.71 | 529131.38 | 756824.17 | 876341.86 | |
| 3 5-cAMP_C12 PARENT | 259649.00 | 529563.00 | 459129.00 | 225756.40 | 297355.43 | 496610.25 | 443633.67 | 191659.43 | |
| 3 5-cAMP_C13-label-1 | 45339.33 | 53438.00 | 69999.50 | 65884.33 | 69590.67 | 71762.00 | 62274.00 | 67873.00 | |
| 3 5-cAMP_C13-label-8 | 63797.00 | 57842.00 | - | - | - | - | - | - | |
| 3-Cresotinic acid_C12 PARENT | 993484.60 | 1076722.71 | 529527.83 | 1037478.20 | 1165856.86 | 844749.00 | 969664.33 | 1040586.43 | |
| 3-Cresotinic acid_C13-label-1 | 77915.33 | 60290.00 | 43304.33 | 68157.00 | 77890.00 | 60442.50 | 49937.33 | 91910.33 | |
| 4-Guanidinobutyrate_C12 PARENT | 2320018.40 | 3899043.86 | 3442830.17 | 3304548.00 | 3752926.00 | 4445976.25 | 9210612.50 | 8336501.43 | |
| 4-Guanidinobutyrate_C13-label-1 | 122939.50 | 59099.50 | 270794.40 | 258478.50 | 240958.80 | 194428.60 | 557822.00 | 453753.67 | |
| 5-Deoxy-5-(methylthio)adenosine_C12 PARENT | 3477914.00 | 4285526.43 | 7419841.50 | 2994230.80 | 2238592.86 | 4187717.25 | 3855304.00 | 3351460.71 | |
| 5-Deoxy-5-(methylthio)adenosine_C13-label-1 | 193800.00 | 600734.86 | 714282.33 | 248471.00 | 211004.29 | 344136.75 | 588520.67 | 348533.43 | |
| Acetyl-arginine_C12 PARENT | 1913335.40 | 4335462.57 | 4339772.00 | 2470427.00 | 2473772.29 | 4125616.25 | 2177847.83 | 2615640.57 | |
| Acetyl-arginine_C13-label-1 | 132702.20 | 278487.43 | 349094.17 | 177344.20 | 227955.71 | 181969.88 | 117856.00 | 165591.14 | |
| Acetyl-arginine_C13-label-6 | - | - | 76972.00 | 66471.00 | - | - | 83544.00 | 87675.50 | |
| Acetylcholine_C12 PARENT | 4236777.60 | 6550884.71 | 4133464.67 | 2615187.00 | 3206039.14 | 6486038.38 | 3914983.00 | 2341545.57 | |
| Acetylcholine_C13-label-1 | 260846.40 | 496935.14 | 314385.33 | 157747.60 | 216266.29 | 502490.88 | 333423.67 | 179170.86 | |
| Aconitate_C12 PARENT | 1283534.20 | 1632295.29 | 1211503.17 | 1707454.00 | 956241.00 | 1534831.62 | 883834.33 | 1050480.57 | |
| Aconitate_C13-label-1 | - | 71468.00 | 63626.00 | - | - | 69089.50 | 77557.00 | - | |
| Adenine_C12 PARENT | 6131570.20 | 29112906.71 | 10692966.33 | 10136926.00 | 9896125.29 | 18134562.12 | 14552148.83 | 7709440.00 | |
| Adenine_C13-label-1 | 564076.60 | 1213947.43 | 660896.67 | 583326.80 | 624676.29 | 770277.62 | 776231.67 | 632049.14 | |
| Adenine_C13-label-3 | 85106.50 | 118723.86 | 72506.00 | 81383.60 | 105866.57 | 77027.00 | 76401.80 | 128754.43 | |
| Adenosine_C12 PARENT | 13751680.60 | 64203793.57 | 15500165.00 | 15712701.60 | 14946516.00 | 23555587.38 | 23941033.50 | 14168006.00 | |
| Adenosine_C13-label-1 | 865564.40 | 6341962.14 | 1599690.83 | 1669161.40 | 1624153.14 | 2771174.38 | 3819216.00 | 1045033.71 | |
| Adenosine_C13-label-2 | 98319.80 | 506750.00 | 103960.00 | 140656.40 | 106842.00 | 168064.00 | 240410.00 | 141074.67 | |
| ADP_C12 PARENT | 23993637.20 | 24750531.00 | 8153819.00 | 13105108.80 | 9783341.29 | 16941829.62 | 11940527.50 | 8031570.43 | |
| ADP_C13-label-1 | 2557349.00 | 3044701.29 | 759830.50 | 1486685.20 | 1771140.29 | 2308633.00 | 1170763.67 | 1102405.71 | |
| ADP_C13-label-2 | 529808.20 | 711166.86 | 134846.80 | 303538.20 | 263319.57 | 575435.50 | 396518.20 | 141171.14 | |
| ADP_C13-label-3 | 78431.00 | 79006.50 | - | - | - | 76011.00 | - | - | |
| ADP-ribose_C12 PARENT | 1726548.00 | 2277997.00 | 373121.83 | 560900.20 | 1003702.86 | 1278150.00 | 969178.83 | 450453.29 | |
| ADP-ribose_C13-label-1 | 272093.00 | 347803.86 | 61534.00 | 81855.67 | 185200.00 | 205077.38 | 198517.25 | - | |
| ADP-ribose_C13-label-11 | - | - | - | - | - | 52752.00 | - | - | |
| ADP-ribose_C13-label-2 | - | 104072.33 | - | 62334.00 | 70639.00 | 6334.00 | 64846.50 | - | |
| Alanine_C12 PARENT | 29531306.40 | 48551646.14 | 51618739.83 | 37067509.00 | 50700236.86 | 50058586.50 | 62182588.33 | 58416319.29 | |
| Alanine_C13-label-1 | 18611481.40 | 26124550.00 | 27944825.83 | 21208093.80 | 21561360.57 | 16809049.25 | 23673403.50 | 22306241.00 | |
| Alanine_C13-label-2 | 2011727.80 | 4592389.00 | 6550259.00 | 3030812.80 | 1780121.00 | 4962043.38 | 6523463.67 | 2212974.57 | |
| Alanine_C13-label-3 | 10905796.60 | 9430964.57 | 15988442.50 | 14311296.60 | 8881569.71 | 10128657.50 | 10650458.17 | 13308691.29 | |
| AMP_C12 PARENT | 60513186.20 | 40713884.71 | 19864853.17 | 19775864.20 | 34621536.00 | 34722788.75 | 25845715.50 | 15552562.14 | |
| AMP_C13-label-1 | 6183616.60 | 4824241.14 | 2126697.17 | 1868945.20 | 4428282.86 | 3580931.62 | 3699760.50 | 1135188.43 | |
| AMP_C13-label-2 | 995690.00 | 855597.86 | 313040.17 | 331948.80 | 591593.29 | 442692.62 | 453361.17 | 252895.43 | |
| AMP_C13-label-3 | 101185.50 | 59633.00 | - | - | 92847.00 | 72876.00 | 75073.00 | - | |
| AMP_C13-label-5 | 69978.00 | - | - | - | - | - | - | - | |
| Anserine_C12 PARENT | 58008960.80 | 71445224.57 | 52573432.67 | 44684102.00 | 46023877.43 | 68366537.50 | 48082821.33 | 50982241.71 | |
| Anserine_C13-label-1 | 49810382.00 | 24361379.00 | 56977856.67 | 72865322.40 | 127687502.43 | 19765410.50 | 93760171.83 | 85167714.43 | |
| Anserine_C13-label-2 | 24816269.20 | 46258072.14 | 30627450.67 | 22884260.00 | 25147758.57 | 41679129.50 | 30982419.50 | 25290805.71 | |
| Arginine_C12 PARENT | 219826392.40 | 102526137.57 | 131961901.83 | 314007982.40 | 70009076.43 | 175679346.12 | 152161326.83 | 168078297.43 | |
| Arginine_C13-label-1 | 8984174.80 | 6352988.57 | 13683625.60 | 21478039.80 | 36031032.71 | 12768011.75 | 12847798.50 | 25035002.29 | |
| Arginino-succinate_C12 PARENT | 360545.80 | 1006226.43 | 943763.33 | 708736.00 | 1419635.00 | 1109971.38 | 416407.50 | 916708.57 | |
| Arginino-succinate_C13-label-1 | 66077.00 | 121515.40 | 104392.00 | 107959.00 | 202375.00 | 111599.25 | 66313.50 | 97785.40 | |
| Arginino-succinate_C13-label-2 | - | 62878.29 | 68336.50 | 73424.00 | - | 71201.33 | 54861.00 | - | |
| Asparagine_C12 PARENT | 22153913.80 | 30925262.14 | 25831303.67 | 15935102.60 | 18043377.14 | 18923244.25 | 20630298.00 | 19108906.57 | |
| Asparagine_C13-label-1 | 1156048.80 | 1395941.57 | 1329066.33 | 864631.40 | 620882.57 | 1258702.50 | 1119570.50 | 952607.86 | |
| Aspartate_C12 PARENT | 16048416.80 | 22014699.14 | 19520394.83 | 9286620.60 | 13679345.71 | 18293362.75 | 10954775.50 | 21785826.29 | |
| Aspartate_C13-label-1 | 1089035.80 | 1459271.57 | 1520966.50 | 1274554.20 | 1447419.86 | 948588.12 | 1063816.17 | 1434086.00 | |
| Aspartate_C13-label-3 | - | 86793.25 | 87168.40 | 67099.00 | 165288.00 | 64116.00 | 25334.33 | 64735.00 | |
| ATP_C12 PARENT | 9272048.00 | 29680858.00 | 12455239.17 | 14677016.80 | 15011279.57 | 27527091.75 | 11910699.17 | 14861948.00 | |
| ATP_C13-label-1 | 1999358.80 | 3500944.00 | 1151930.67 | 1796379.40 | 1793172.43 | 3219941.50 | 2067432.33 | 1744060.43 | |
| ATP_C13-label-2 | 575643.20 | 733646.29 | 278809.80 | 581894.00 | 365474.86 | 834941.88 | 373496.00 | 365730.00 | |
| ATP_C13-label-3 | 62733.33 | 70309.86 | 57138.00 | 83633.00 | 74751.00 | 102365.50 | 86075.00 | 61677.00 | |
| Carnitine_C12 PARENT | 33524240.00 | 45557358.86 | 43577858.67 | 45662272.80 | 43221806.86 | 36871053.00 | 36658137.67 | 42149333.14 | |
| Carnitine_C13-label-1 | 214620233.80 | 232683631.29 | 259058235.50 | 224996915.20 | 180708430.86 | 244735251.00 | 188317473.00 | 228384520.86 | |
| Carnitine_C13-label-2 | 5020148.80 | 5626640.86 | 5581773.17 | 6795513.20 | 5551592.29 | 4107520.00 | 4409508.00 | 5367285.57 | |
| Carnosine_C12 PARENT | 29931828.80 | 30711298.29 | 17793746.33 | 19075390.80 | 18520060.29 | 29642203.88 | 17531919.17 | 19803684.71 | |
| Carnosine_C13-label-1 | 137136313.60 | 38672362.00 | 140755533.33 | 49274265.00 | 114950777.86 | 179805244.62 | 94730823.00 | 139781156.14 | |
| Carnosine_C13-label-2 | 3554066.00 | 3714269.14 | 2470185.17 | 2100837.00 | 1684341.00 | 3321334.25 | 1652302.17 | 861416.43 | |
| CDP-choline_C12 PARENT | 2824419.60 | 3619202.71 | 5003902.50 | 2230451.40 | 5939820.00 | 5133922.38 | 4791170.00 | 4375581.29 | |
| CDP-choline_C13-label-1 | 504645.40 | 949189.00 | 664274.50 | 480270.00 | 523394.29 | 676562.00 | 735579.17 | 670255.71 | |
| CDP-choline_C13-label-10 | - | - | - | - | - | - | 59297.00 | - | |
| CDP-choline_C13-label-2 | 78978.60 | 158594.43 | 95876.40 | 76065.50 | 186051.14 | 85770.25 | 119473.50 | 75610.00 | |
| CDP-ethanolamine_C12 PARENT | 1344570.00 | 1296817.86 | 922101.17 | 797807.60 | 1435009.86 | 1022040.50 | 1019979.33 | 1504285.14 | |
| CDP-ethanolamine_C13-label-1 | 129642.00 | 87546.00 | 104295.50 | 96322.50 | 135280.17 | 91199.75 | 97070.33 | 143423.80 | |
| CDP-ethanolamine_C13-label-2 | - | 75487.00 | - | - | - | - | - | - | |
| Choline_+Hac_C12 PARENT | 19172551.20 | 5184706.57 | 5669968.50 | 3911574.60 | 3605626.00 | 4440872.12 | 5548598.50 | 2997923.14 | |
| Choline_+Hac_C13-label-1 | 1303341.40 | 332386.57 | 359594.17 | 245547.60 | 260800.71 | 363474.38 | 289450.83 | 211838.00 | |
| Citrulline_C12 PARENT | 47317410.80 | 47546183.86 | 48222359.83 | 54062869.20 | 38521336.86 | 55812428.62 | 31415333.50 | 39148211.71 | |
| Citrulline_C13-label-1 | 4863412.60 | 5119946.71 | 4158687.67 | 5943112.20 | 5625529.14 | 5030260.75 | 3287196.83 | 4752901.86 | |
| Citrulline_C13-label-2 | 397284.40 | 464841.71 | 331340.00 | 741444.40 | 360733.00 | 509515.88 | 462729.00 | 501115.71 | |
| Citrulline_C13-label-3 | 70027.00 | 120308.17 | 65049.20 | 90093.20 | 63691.40 | 118146.14 | 98106.20 | 83969.14 | |
| Citrulline_C13-label-4 | - | - | - | - | - | - | 4965.00 | - | |
| CMP_C12 PARENT | 308196.60 | 175979.86 | 122304.00 | 191584.60 | 293756.86 | 238120.00 | 266738.50 | 170213.00 | |
| CMP_C13-label-1 | 72076.00 | - | - | - | - | - | - | - | |
| Creatine_C12 PARENT | 337630220.80 | 352107725.71 | 302263888.00 | 292395641.60 | 317152925.71 | 322573828.00 | 312951530.67 | 296381209.14 | |
| Creatine_C13-label-1 | 15010733.80 | 15603296.29 | 13365646.67 | 12938710.60 | 14242262.43 | 14426842.25 | 14089976.50 | 13321655.29 | |
| Creatine_C13-label-2 | 24215412.00 | 19964159.14 | 20745856.00 | 16711845.00 | 22354509.29 | 22778225.50 | 21450587.83 | 21008932.86 | |
| Creatine phosphate_C12 PARENT | 144498174.60 | 69382280.00 | 34232411.50 | 30315488.00 | 45431802.14 | 23529541.75 | 91059586.83 | 40663957.71 | |
| Creatine phosphate_C13-label-1 | 34353693.40 | 51351066.86 | 121773904.33 | 136688773.80 | 104881445.00 | 85378566.50 | 90605891.17 | 108950188.29 | |
| Creatinine_C12 PARENT | 21211333.60 | 35847102.29 | 43509354.33 | 19331441.00 | 25869129.14 | 36145496.00 | 36108370.67 | 32400503.71 | |
| Creatinine_C13-label-1 | 78342945.00 | 138594827.29 | 142470768.17 | 65963165.00 | 114127804.29 | 80207173.00 | 138621949.33 | 76026168.00 | |
| Creatinine_C13-label-2 | 1604219.40 | 2251125.57 | 2242992.67 | 883689.80 | 1939145.00 | 2326079.00 | 2811317.00 | 2469929.00 | |
| Cystathionine_C12 PARENT | 88724.20 | 92158.29 | 96499.50 | 105721.60 | 261267.86 | 275408.38 | 169854.50 | 248730.71 | |
| Cytidine_C12 PARENT | 2447931.20 | 4492714.29 | 3353420.83 | 1215489.40 | 1842415.57 | 2346693.62 | 2707139.83 | 2787658.29 | |
| Cytosine_C12 PARENT | 25428000.20 | 43811843.14 | 41379364.00 | 33497949.60 | 22756210.71 | 30153323.12 | 19827774.33 | 19809067.00 | |
| Cytosine_C13-label-1 | 1150340.40 | 1892465.43 | 1849264.83 | 1344252.80 | 1001756.71 | 1359945.38 | 925858.00 | 1060855.14 | |
| Deoxycarnitine_C12 PARENT | 106493359.60 | 101326674.71 | 238199425.00 | 120395228.20 | 130262995.57 | 172111226.38 | 176337152.67 | 264545454.00 | |
| Deoxycarnitine_C13-label-1 | 17996054.00 | 16205979.14 | 18149134.83 | 19782657.40 | 19491372.43 | 14618007.62 | 13763889.67 | 22995662.71 | |
| Deoxycarnitine_C13-label-2 | 430974.40 | 576841.57 | 577737.17 | 496115.00 | 650208.29 | 433445.62 | 293023.83 | 559790.29 | |
| Deoxycytidine_C12 PARENT | 1591755.60 | 3233218.71 | 3322391.33 | 2396838.60 | 1662254.00 | 2525847.12 | 1668318.33 | 1657409.86 | |
| Deoxycytidine_C13-label-1 | 69608.75 | 75164.00 | 272255.33 | 232140.00 | 62022.00 | 88037.00 | 126778.33 | 181612.33 | |
| Deoxycytidine_C13-label-2 | 80068.00 | 94691.50 | - | 71251.00 | 61527.00 | 40196.50 | - | 57984.00 | |
| Diethanolamine_C12 PARENT | 25491045.00 | 32438938.14 | 22920819.33 | 15520105.40 | 19102833.43 | 22454402.12 | 22081922.33 | 18983401.00 | |
| Diethanolamine_C13-label-1 | 1162410.00 | 1490397.71 | 1004206.33 | 833982.60 | 732976.00 | 1052172.88 | 927232.83 | 569381.86 | |
| Dimethyl-arginine_C12 PARENT | 27272380.20 | 34900931.29 | 47366780.67 | 37873419.00 | 61933625.29 | 53097985.12 | 36601637.67 | 35168990.57 | |
| Dimethyl-arginine_C13-label-1 | 2455929.20 | 3031982.14 | 4075178.00 | 3060388.60 | 3375945.14 | 4953999.50 | 3962033.17 | 4219853.86 | |
| Glucose 6-phosphate_C12 PARENT | 60351254.20 | 56520012.71 | 63618861.67 | 84284598.60 | 52194502.43 | 103346858.50 | 47757643.83 | 77689470.57 | |
| Glucose 6-phosphate_C13-label-1 | 6169863.20 | 4077858.57 | 6816219.17 | 6030898.80 | 5960734.67 | 5701762.62 | 6325435.00 | 5277437.14 | |
| Glucose 6-phosphate_C13-label-2 | 142217.00 | 214281.29 | 920458.50 | 206687.40 | 133857.60 | 201071.00 | 589905.33 | 254668.00 | |
| Glucose 6-phosphate_C13-label-3 | 489592.60 | 610548.43 | 1815354.33 | 1020863.40 | 336848.43 | 630169.12 | 1404791.33 | 671435.57 | |
| Glucose 6-phosphate_C13-label-4 | 71705.00 | 73546.50 | 119697.83 | 41452.50 | 74894.50 | 60481.25 | 148848.33 | 70385.00 | |
| Glucose 6-phosphate_C13-label-5 | - | 76547.00 | 69919.60 | 83618.00 | - | 52241.00 | 121169.00 | 41574.33 | |
| Glucose 6-phosphate_C13-label-6 | 275326.40 | 195143.71 | 524391.17 | 926368.80 | 295584.14 | 313047.62 | 479496.83 | 480742.14 | |
| Glutamate_C12 PARENT | 114224536.20 | 151560619.43 | 115506295.33 | 165277604.80 | 213633464.71 | 161420720.25 | 175145236.67 | 59288167.57 | |
| Glutamate_C13-label-1 | 17982580.20 | 21158798.14 | 18129356.17 | 20711843.40 | 25154094.86 | 13871536.00 | 21045583.83 | 22966044.71 | |
| Glutamate_C13-label-2 | 4060566.60 | 5647419.14 | 6969872.83 | 4958823.00 | 4004815.86 | 5000481.25 | 3384793.67 | 5787183.14 | |
| Glutamate_C13-label-3 | 865936.00 | 843291.43 | 977920.67 | 1317570.40 | 1275170.71 | 717330.25 | 1113088.67 | 486475.43 | |
| Glutamate_C13-label-4 | 197937.00 | 132198.67 | 67742.00 | 83552.20 | 24947.33 | 92736.60 | 75562.25 | 135027.50 | |
| Glutamine_C12 PARENT | 38659293.40 | 16659372.00 | 15759109.33 | 12605618.20 | 11473358.14 | 14852445.62 | 19675626.50 | 10764922.43 | |
| Glutamine_C13-label-1 | 49101852.80 | 79866411.43 | 124502518.67 | 21998228.60 | 83639800.86 | 116496052.25 | 21185487.00 | 67108183.14 | |
| Glutamine_C13-label-2 | 20096059.40 | 61278280.14 | 48006370.17 | 32129364.00 | 23444698.00 | 55974491.00 | 43077962.33 | 28272119.14 | |
| Glutamine_C13-label-3 | 5146202.80 | 16367185.86 | 8913437.67 | 9628014.80 | 5591131.14 | 12471150.75 | 13620936.17 | 7640985.57 | |
| Glutamine_C13-label-4 | 284463.60 | 496884.14 | 559995.50 | 431156.20 | 498475.57 | 506396.25 | 483200.17 | 303865.71 | |
| Glutathione_C12 PARENT | 39626784.20 | 90015128.14 | 90339550.33 | 114259637.60 | 90409842.86 | 111542498.38 | 72948009.50 | 75882123.86 | |
| Glutathione_C13-label-1 | 9678443.20 | 9426914.71 | 8206076.00 | 10118580.20 | 11193488.14 | 11301919.88 | 6311584.17 | 10303586.71 | |
| Glutathione_C13-label-2 | 1171272.40 | 1528790.00 | 1334676.33 | 1519017.40 | 1137765.86 | 1460687.62 | 1604319.60 | 1085673.86 | |
| Glutathione_C13-label-3 | 128998.50 | 162430.71 | 99679.17 | 140484.20 | 162264.00 | 114233.88 | 115592.33 | 118250.71 | |
| Glycerol 3-phosphate_C12 PARENT | 110473546.20 | 99461404.43 | 37822940.67 | 121304034.00 | 99337064.14 | 122185168.88 | 119064337.83 | 57471751.43 | |
| Glycerol 3-phosphate_C13-label-1 | 3890925.40 | 5760673.14 | 5426063.67 | 5737902.60 | 4320904.57 | 5426623.00 | 5928437.33 | 4839596.29 | |
| Glycerol 3-phosphate_C13-label-2 | 74267.25 | 300150.86 | 1292171.17 | 287641.40 | 158527.29 | 308149.88 | 719270.00 | 214005.17 | |
| Glycerol 3-phosphate_C13-label-3 | 1614792.80 | 1969217.71 | 4394931.33 | 4156202.40 | 1932756.57 | 1645825.88 | 2760100.83 | 2553666.29 | |
| Glycerophosphocholine_C12 PARENT | 91485593.80 | 153499655.86 | 95984024.83 | 51309092.80 | 85287717.57 | 107430623.62 | 94338548.67 | 101831892.14 | |
| Glycerophosphocholine_C13-label-1 | 9551584.80 | 12644523.86 | 13275198.00 | 9643728.40 | 9567607.29 | 11607573.75 | 9273884.50 | 8869695.57 | |
| Glycerophosphocholine_C13-label-2 | 319533.80 | 221091.29 | 201563.00 | 180182.00 | 257424.71 | 280207.00 | 267666.17 | 342049.71 | |
| Glycerophosphocholine_C13-label-3 | 214219.40 | 510668.57 | 380636.33 | 325406.20 | 218022.43 | 221052.75 | 196613.00 | 158303.00 | |
| Glycine_C12 PARENT | 130947001.00 | 113982894.86 | 98259252.67 | 81680949.20 | 48143373.43 | 67274486.00 | 76105126.83 | 54956259.14 | |
| Glycine_C13-label-1 | 1610952.40 | 2818829.57 | 3523339.33 | 2372682.00 | 1323632.00 | 1697843.12 | 1944544.33 | 1515775.71 | |
| Glycine_C13-label-2 | 107426.75 | 109159.86 | 130961.67 | 86515.50 | 85869.00 | 67171.71 | 98424.50 | 84608.00 | |
| GMP_C12 PARENT | 1020372.60 | 647079.80 | 97277.33 | 77234.50 | 720032.00 | 207048.33 | 376948.20 | - | |
| GMP_C13-label-1 | 286307.40 | 374944.33 | 908440.33 | 755314.80 | 861581.29 | 405433.50 | 395915.83 | 1075515.71 | |
| Guanidineacetic acid_C12 PARENT | 2322970.00 | 2289606.57 | 2926233.67 | 2609385.40 | 2794119.14 | 1633180.38 | 2214254.33 | 2714445.29 | |
| Guanine_C12 PARENT | 5218616.40 | 7973266.71 | 9069802.83 | 6795463.40 | 6441577.86 | 8429072.88 | 7484207.50 | 5819830.14 | |
| Guanine_C13-label-1 | 264295.00 | 510802.29 | 522526.33 | 1303546.80 | 367468.00 | 452913.25 | 190978.17 | 285093.29 | |
| Guanine_C13-label-5 | 27994.00 | 63765.50 | 54452.00 | 44843.00 | 60492.00 | 83757.00 | 4919.00 | - | |
| Guanosine_C12 PARENT | 320343.60 | 777756.29 | 540073.83 | 377932.20 | 256621.29 | 537306.25 | 437810.33 | 270354.57 | |
| Histamine_C12 PARENT | 159721141.00 | 31054120.71 | 83313977.83 | 6481226.00 | 27449949.00 | 32881036.12 | 88618799.83 | 18691516.29 | |
| Histamine_C13-label-1 | 20917627.20 | 25235085.57 | 36820940.83 | 35971469.40 | 27099036.00 | 26584519.88 | 28393070.83 | 31936049.00 | |
| Histamine_C13-label-2 | 417884.80 | 761942.00 | 801510.33 | 507092.60 | 406961.43 | 724646.62 | 656969.67 | 687630.57 | |
| Hypotaurine_C12 PARENT | 14387049.40 | 12783663.14 | 25564260.17 | 26630359.00 | 18769326.57 | 14046451.62 | 21627827.50 | 45133148.71 | |
| Hypotaurine_C13-label-1 | 561709.00 | - | 266428.50 | 346046.50 | 395603.33 | 426434.00 | 809509.25 | 592480.83 | |
| Hypoxanthine_C12 PARENT | 39354901.40 | 25773912.00 | 14850583.17 | 26059277.40 | 18192774.14 | 16510233.88 | 32901087.17 | 14733580.71 | |
| Hypoxanthine_C13-label-1 | 2127507.20 | 2896458.57 | 792769.50 | 1365586.20 | 1163245.86 | 977687.75 | 1402904.33 | 762931.43 | |
| IMP_C12 PARENT | 135945281.00 | 147507896.00 | 9697042.33 | 15330687.00 | 35554829.86 | 46092068.62 | 20308739.17 | 5266611.14 | |
| IMP_C13-label-1 | 13599696.00 | 14388065.29 | 1506198.50 | 2190220.00 | 2808104.00 | 3802882.25 | 6515313.17 | 522819.14 | |
| IMP_C13-label-2 | 3597798.00 | 2811476.57 | 288540.00 | 244360.00 | 2121472.00 | 547590.50 | 1354638.80 | 138854.00 | |
| IMP_C13-label-3 | 237332.00 | 308293.60 | - | - | 592559.00 | 67301.00 | 218184.33 | - | |
| IMP_C13-label-4 | - | 98187.00 | - | - | - | - | - | - | |
| Inosine_C12 PARENT | 17412837.20 | 35057929.00 | 13531315.67 | 6276032.80 | 17011345.29 | 14559740.62 | 16842705.00 | 9642572.71 | |
| Inosine_C13-label-1 | 2503840.80 | 3431610.43 | 1172638.50 | 778530.00 | 1894454.86 | 1800971.88 | 3058493.00 | 653285.71 | |
| Inosine_C13-label-4 | - | - | - | - | - | 55952.00 | - | - | |
| Isoleucine_C12 PARENT | 62893129.20 | 95439882.86 | 60487553.17 | 63550570.60 | 75446522.29 | 57043837.12 | 37269513.17 | 52789610.86 | |
| Isoleucine_C13-label-1 | 4367155.40 | 5439540.14 | 4151633.33 | 4146898.40 | 4941239.43 | 4478993.50 | 3053265.17 | 3665382.43 | |
| Isoleucine_C13-label-2 | 101592.00 | 119215.00 | 75625.83 | 107880.00 | 113821.00 | 128198.12 | 106836.83 | 56916.67 | |
| Kynurenine_C12 PARENT | 392028.00 | 370653.29 | 646568.50 | 204515.60 | 488547.29 | 623869.88 | 380052.33 | 503159.86 | |
| Leucine_C12 PARENT | 137035462.80 | 166896853.57 | 84354802.00 | 76929203.60 | 102325602.00 | 73268831.25 | 113111102.83 | 124496797.29 | |
| Leucine_C13-label-1 | 7804609.40 | 13107738.86 | 8921997.17 | 6261665.40 | 11639301.43 | 8334831.75 | 6723651.33 | 6167869.14 | |
| Lysine_C12 PARENT | 156743723.80 | 125029321.29 | 153149544.00 | 127134489.80 | 134415966.29 | 177739153.62 | 74876543.67 | 132539203.57 | |
| Lysine_C13-label-1 | 5208827.20 | 8441437.57 | 12488667.50 | 8584739.20 | 30615306.43 | 15434160.50 | 11349542.67 | 12636111.43 | |
| Lysine_C13-label-2 | 224390.20 | 170747.71 | 432341.83 | 232613.20 | 707616.14 | 565135.88 | 364216.00 | 292433.43 | |
| Methionine_C12 PARENT | 23944641.60 | 49206291.43 | 33061752.00 | 28518502.40 | 34171264.57 | 35518434.62 | 23921730.00 | 35888358.57 | |
| Methionine_C13-label-1 | 1484042.80 | 2913763.00 | 1392648.00 | 2036329.00 | 1968959.43 | 2172122.25 | 1511325.50 | 2188339.86 | |
| Methionine_C13-label-2 | - | 77985.00 | - | - | - | - | 62052.00 | - | |
| Methionine sulfoxide_C12 PARENT | 756702.60 | 2013933.43 | 2005729.67 | 1321631.80 | 1131381.57 | 1653212.88 | 764806.83 | 1216573.57 | |
| Methyl-histidine_C12 PARENT | 10124772.00 | 31322470.43 | 23277487.00 | 7800393.20 | 6976648.86 | 25754164.62 | 9936627.17 | 10979750.43 | |
| Methyl-histidine_C13-label-1 | 751318.40 | 2140132.43 | 1289706.67 | 531677.80 | 479940.57 | 1585974.62 | 558604.17 | 662631.00 | |
| NAD_C12 PARENT | 44472543.60 | 79923902.57 | 70730177.00 | 59996283.00 | 52713601.71 | 48734523.00 | 48936105.67 | 76161416.00 | |
| NAD_C13-label-1 | 14275380.40 | 19901298.57 | 19994496.17 | 15477882.20 | 13100743.86 | 14671593.88 | 17545077.83 | 18725765.00 | |
| NAD_C13-label-14 | - | - | - | - | 78998.00 | - | - | 93833.00 | |
| NAD_C13-label-2 | 3249876.80 | 3802112.43 | 4698810.83 | 4145554.00 | 4021631.57 | 3823915.50 | 3414071.67 | 4352134.71 | |
| NAD_C13-label-3 | 552888.20 | 800600.29 | 775818.67 | 748992.00 | 631481.71 | 632482.00 | 684958.00 | 517142.29 | |
| NAD_C13-label-4 | 75603.00 | 95240.75 | 105871.75 | 58223.67 | 76638.67 | 80853.60 | 72671.50 | 58165.75 | |
| NAD_C13-label-5 | - | - | - | 86085.00 | 40133.00 | - | - | - | |
| NAD_C13-label-8 | - | - | - | - | - | - | - | - | |
| Nicotinamide_C12 PARENT | 114205704.80 | 145423262.00 | 91837974.50 | 212039850.20 | 121939498.43 | 83314055.50 | 102967271.83 | 77647497.29 | |
| Nicotinamide_C13-label-1 | 25128937.40 | 47493496.00 | 9106253.67 | 13774937.20 | 19134396.00 | 18447328.50 | 18207624.00 | 8268639.14 | |
| Nicotinamide_C13-label-2 | 648448.20 | 1080765.43 | 242062.33 | 175320.60 | 431347.29 | 569434.75 | 428136.00 | 104129.00 | |
| N-Methyl-L-glutamate_C12 PARENT | 847762.80 | 673404.86 | 375918.83 | 500624.80 | 356270.71 | 780346.12 | 481744.67 | 179116.71 | |
| O-Phosphorylethanolamine_C12 PARENT | 12746854.40 | 16335115.00 | 11598185.33 | 14280077.40 | 16905981.43 | 16052736.50 | 12546096.17 | 16258574.71 | |
| O-Phosphorylethanolamine_C13-label-1 | 254332.80 | 381012.00 | 363802.50 | 318666.20 | 387605.29 | 361777.38 | 287590.00 | 313582.29 | |
| Ophthalmate_C12 PARENT | 344273.25 | 547167.86 | 561948.33 | 303793.20 | 497036.14 | 775281.75 | 585112.83 | 336539.29 | |
| Ornithine_C12 PARENT | 4088804.80 | 2802385.71 | 2932668.50 | 3233672.80 | 6209465.29 | 4145132.25 | 3614657.33 | 5347012.71 | |
| Phenylacetaldehyde_C12 PARENT | 7748698.60 | 9429006.29 | 13930396.17 | 6472412.00 | 5175289.14 | 7603569.75 | 5012503.50 | 10075557.29 | |
| Phenylacetaldehyde_C13-label-1 | 632393.80 | 914775.57 | 1195204.00 | 342911.80 | 315065.00 | 729127.12 | 729670.83 | 987104.29 | |
| Phenylacetaldehyde_C13-label-8 | 651269.60 | 987718.29 | 928486.33 | 758952.60 | 979455.86 | 664219.50 | 815423.00 | 834478.29 | |
| Phenylalanine_C12 PARENT | 72380350.20 | 120613673.71 | 68055812.17 | 86383231.80 | 90580133.71 | 106725610.88 | 89971618.83 | 109312601.86 | |
| Phenylalanine_C13-label-1 | 8930655.20 | 16236625.14 | 10277971.67 | 6304435.00 | 12036908.57 | 9194192.25 | 8995649.00 | 6743694.43 | |
| Phenylalanine_C13-label-2 | 296332.40 | 621252.14 | 413587.50 | 175122.80 | 454425.57 | 322469.12 | 252687.50 | 303938.43 | |
| Phosphocholine_C12 PARENT | 37296723.40 | 50621995.86 | 38110599.33 | 16022643.20 | 30101684.14 | 46209902.88 | 34459519.00 | 26884963.14 | |
| Phosphocholine_C13-label-1 | 1946619.00 | 3618392.14 | 3645247.50 | 745602.60 | 1945493.43 | 3533549.50 | 2438657.17 | 1339704.86 | |
| Proline_C12 PARENT | 177662391.40 | 142205523.29 | 104281465.67 | 75317934.20 | 146682015.71 | 123069637.50 | 232504756.17 | 185499627.86 | |
| Proline_C13-label-1 | 10344691.60 | 11575535.43 | 7842122.33 | 10161290.80 | 8199515.57 | 12050189.25 | 9054527.00 | 10501401.57 | |
| Proline_C13-label-2 | 228378.40 | 362284.29 | 366606.67 | 196745.60 | 178354.50 | 450631.75 | 692558.00 | 276453.14 | |
| Pyridoxal_C12 PARENT | 394832.40 | 740754.00 | 892872.17 | 594628.40 | 563061.29 | 673108.88 | 589390.83 | 864838.14 | |
| Pyridoxal_C13-label-1 | 64884.00 | 68444.67 | 78066.00 | - | 61285.00 | 64725.50 | 78312.00 | 37699.00 | |
| Pyridoxal_C13-label-6 | - | 47455.00 | - | - | 53531.00 | - | 56238.50 | - | |
| S-Adenosyl-homocysteine_C12 PARENT | 314906.00 | 801907.14 | 508451.50 | 192307.00 | 159457.43 | 509937.12 | 324344.17 | 117643.67 | |
| S-Adenosyl-homocysteine_C13-label-1 | - | 45349.25 | 82238.00 | 65258.00 | - | 70903.00 | - | - | |
| S-Adenosylmethionine_C12 PARENT | 10865829.60 | 12321582.14 | 16612807.00 | 11666368.80 | 11941650.57 | 12412253.12 | 17189997.50 | 19105741.14 | |
| S-Adenosylmethionine_C13-label-1 | 1729969.80 | 2217395.29 | 2604496.33 | 3117568.00 | 2679499.29 | 1961145.38 | 2355287.83 | 2348322.14 | |
| S-Adenosylmethionine_C13-label-2 | 170133.40 | 146286.29 | 234270.00 | 116911.40 | 116255.50 | 147536.88 | 155828.17 | 201508.86 | |
| Serine_C12 PARENT | 38997280.60 | 47695995.00 | 45328199.33 | 34929396.80 | 45145254.00 | 49300613.62 | 34321786.17 | 31096281.00 | |
| Serine_C13-label-1 | 1908464.60 | 2516270.29 | 1978309.50 | 1855313.00 | 1760547.29 | 2166981.88 | 1926408.50 | 1484687.29 | |
| Succinyl-CoA_C12 PARENT | 200837.00 | 200346.20 | 240885.00 | 308654.40 | 260039.67 | 149819.62 | 171654.20 | 423069.29 | |
| Succinyl-CoA_C13-label-1 | 96451.00 | 70912.00 | 127286.67 | 98486.00 | 103102.00 | 75397.75 | 69423.50 | 152835.25 | |
| Taurine_C12 PARENT | 113882270.40 | 111638508.57 | 100427739.33 | 125297481.60 | 119607950.86 | 107363025.00 | 107644128.00 | 119762961.14 | |
| Taurine_C13-label-1 | 214160959.00 | 218391011.86 | 155456878.33 | 226803183.60 | 161301481.43 | 122809368.00 | 82526839.00 | 117863127.29 | |
| Taurine_C13-label-2 | 376426.00 | 273130.71 | 133038.60 | 309276.20 | 186139.83 | 218746.12 | 249109.00 | 179968.71 | |
| Thiamine pyrophosphate_C12 PARENT | 108131.50 | 188669.00 | 140751.20 | 99779.60 | 104743.29 | 161245.50 | 157496.80 | 131794.00 | |
| Threonine_C12 PARENT | 36874305.40 | 79191091.00 | 56135687.00 | 43968906.20 | 69009754.57 | 34939590.00 | 38044581.50 | 52702647.29 | |
| Threonine_C13-label-1 | 2569249.60 | 2932004.86 | 2016652.17 | 2503370.00 | 2647012.57 | 2191185.50 | 1713727.00 | 1716605.29 | |
| Trimethylglycine (Betaine)_C12 PARENT | 13568732.60 | 13286226.00 | 12812178.83 | 13867548.80 | 13790212.43 | 11221719.88 | 12187554.33 | 13544730.57 | |
| Trimethylglycine (Betaine)_C13-label-1 | 73536871.20 | 49918166.86 | 70666997.83 | 48113922.60 | 75970727.71 | 51441583.62 | 29842637.00 | 51182891.00 | |
| Trimethylglycine (Betaine)_C13-label-2 | 1644820.40 | 1356275.00 | 1184340.17 | 1778115.40 | 1667917.71 | 1467143.88 | 1593273.17 | 1637072.14 | |
| Tryptophan_C12 PARENT | 22042794.00 | 38063532.00 | 43020947.50 | 21167784.60 | 35085176.71 | 28270476.88 | 20142371.33 | 33591908.71 | |
| Tryptophan_C13-label-1 | 3101823.60 | 3181479.71 | 5122425.50 | 3147441.40 | 3628895.71 | 2985824.62 | 2685219.83 | 3940293.29 | |
| Tryptophan_C13-label-2 | 91995.40 | 141680.00 | 142879.00 | 89190.80 | 81827.14 | 79608.00 | 81436.50 | 108204.86 | |
| Tryptophan_C13-label-6 | 337898.00 | 575082.57 | 640841.17 | 588882.60 | 505480.86 | 798792.38 | 354199.50 | 957301.86 | |
| Tryptophan_C13-label-7 | 65326.00 | 93090.50 | 82345.33 | 72335.67 | 75981.50 | 55266.25 | 127526.00 | 177941.00 | |
| Tyrosine_C12 PARENT | 31480514.20 | 60648403.57 | 42751702.67 | 30528723.60 | 38845499.71 | 33267036.50 | 24013476.50 | 49511299.57 | |
| Tyrosine_C13-label-1 | 3860914.40 | 5754243.00 | 5001971.33 | 3547226.20 | 4734850.29 | 4181294.12 | 3531888.17 | 3887571.00 | |
| Tyrosine_C13-label-2 | 57791.50 | 91329.00 | 79125.50 | 82235.00 | 111163.00 | 70606.88 | 58815.33 | 77809.80 | |
| UDP_C12 PARENT | 334229.25 | 380199.43 | 118839.80 | 127963.00 | 206546.00 | 181513.00 | 158917.17 | 91634.17 | |
| UDP_C13-label-4 | - | - | 78814.00 | - | - | - | - | - | |
| UDP_C13-label-6 | - | - | 55886.00 | - | - | - | - | - | |
| UDP_C13-label-9 | 62959.00 | - | - | - | - | - | - | - | |
| UDP-N-acetylglucosamine_C12 PARENT | 412796.20 | 846602.43 | 497044.00 | 366486.20 | 616222.86 | 501941.00 | 308015.33 | 495539.43 | |
| UDP-N-acetylglucosamine_C13-label-1 | 88315.00 | 71259.14 | 92390.50 | 75105.75 | 130000.67 | 78942.60 | 76919.50 | 72804.50 | |
| UDP-N-acetylglucosamine_C13-label-10 | - | - | - | - | - | 61818.00 | - | - | |
| UDP-N-acetylglucosamine_C13-label-16 | - | - | - | - | - | 584.00 | - | - | |
| UDP-N-acetylglucosamine_C13-label-2 | - | - | 6705.00 | - | 83917.50 | 57752.50 | - | 67316.00 | |
| UDP-N-acetylglucosamine_C13-label-4 | - | - | - | - | - | 56477.00 | - | - | |
| UMP_C12 PARENT | 1037300.40 | 1255258.43 | 588113.83 | 507805.80 | 1709611.00 | 590434.50 | 612385.83 | 522447.29 | |
| UMP_C13-label-1 | 90410.00 | 103205.83 | 58183.00 | 63210.50 | 454942.50 | 60288.00 | 79060.00 | 67165.00 | |
| UMP_C13-label-2 | - | - | - | - | 139199.00 | - | - | - | |
| Uracil_C12 PARENT | 240965.60 | 307809.71 | 335567.17 | 241067.60 | 241010.00 | 318230.25 | 291474.83 | 212595.00 | |
| Uracil_C13-label-1 | 284589.00 | 329648.86 | 328748.83 | 201039.20 | 240336.00 | 315530.12 | 303856.17 | 90914.29 | |
| Uridine_C12 PARENT | 746568.60 | 80658.14 | 46957.00 | 819716.00 | 1316350.29 | 625621.67 | 709102.50 | 556972.43 | |
| Uridine_C13-label-1 | 72488.00 | - | 54813.00 | 79128.67 | 82882.86 | 123601.00 | 66822.50 | 93307.80 | |
| Uridine_C13-label-2 | - | - | 49717.00 | - | - | - | - | - | |
| Uridine_C13-label-3 | 232090.40 | 71593.50 | 106022.67 | 309513.40 | 440761.86 | 113194.17 | 195608.33 | 363140.14 | |
| Urocanate_C12 PARENT | 11997563.20 | 44750997.14 | 19013612.67 | 27271259.80 | 19157741.71 | 18198678.75 | 13994212.17 | 10049046.57 | |
| Urocanate_C13-label-1 | 1406069.00 | 3182672.71 | 2213064.17 | 1954933.00 | 1345408.71 | 1160420.50 | 880917.83 | 835421.71 | |
| Urocanate_C13-label-2 | - | 77537.75 | 67512.00 | 57509.00 | - | 68042.00 | 78842.00 | - | |
| UTP_C12 PARENT | 25708.80 | 250531.86 | 106548.60 | 108285.20 | 86038.17 | 140704.12 | 115237.40 | 99241.29 | |
| UTP_C13-label-1 | - | - | - | - | - | - | - | - | |
| UTP_C13-label-6 | - | 60657.00 | - | - | - | - | - | - | |
| Valine_C12 PARENT | 133719949.80 | 137702439.43 | 193477300.33 | 128011433.20 | 179340048.14 | 113183358.88 | 102889375.00 | 157216078.57 | |
| Valine_C13-label-1 | 11667228.00 | 13526324.14 | 7423219.33 | 8956815.00 | 12236377.86 | 11581003.75 | 8751982.00 | 12202728.71 | |
| XMP_C12 PARENT | 813043.00 | 679920.83 | 103093.67 | 92149.00 | 979731.25 | 199861.57 | 513531.00 | 59629.00 | |
| XMP_C13-label-1 | 78435.67 | 50894.50 | - | - | 354211.00 | 70837.00 | 77811.00 | - | |
| XMP_C13-label-4 | - | 67356.00 | - | - | - | - | - | - |
Factors:
| F1 | Diet:Control | | Genotype:KP |
| F2 | Diet:Control | | Genotype:PGKP |
| F3 | Diet:Control | | Genotype:PolG |
| F4 | Diet:Control | | Genotype:wt |
| F5 | Diet:Ser/Gly free | | Genotype:KP |
| F6 | Diet:Ser/Gly free | | Genotype:PGKP |
| F7 | Diet:Ser/Gly free | | Genotype:PolG |
| F8 | Diet:Ser/Gly free | | Genotype:wt |
