Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
10-Hydroxydecanoic acid_C12 PARENT	17880237.57	22542019.00
10-Hydroxydecanoic acid_C13-label-1	2052157.00	2032993.62
10-Hydroxydecanoic acid_C13-label-2	65124.33	145323.00
2 3-cAMP_C12 PARENT	25345912.48	30765167.50
2 3-cAMP_C13-label-1	3093044.71	3647561.88
2 3-cAMP_C13-label-10	-	52018.00
2 3-cAMP_C13-label-2	518936.43	560748.19
2 3-cAMP_C13-label-3	125038.71	126412.85
2 3-cAMP_C13-label-4	352585.89	471234.81
2 3-cAMP_C13-label-7	72122.00	71195.00
2-Aminoadipic acid_C12 PARENT	35649675.71	58469068.62
2-Aminoadipic acid_C13-label-1	2325002.05	3619306.08
2-Deoxy-D-glucose_C12 PARENT	6583209.71	6714091.50
2-Deoxy-D-glucose_C13-label-1	378045.00	569631.27
2-Deoxy-D-glucose_C13-label-2	298461.19	315970.27
2-Deoxyuridine_C12 PARENT	21595485.38	21791810.04
2-Deoxyuridine_C13-label-1	2294800.95	2454519.54
2-Deoxyuridine_C13-label-2	342722.43	355448.27
2-Deoxyuridine_C13-label-3	102307.06	118226.40
2-Deoxyuridine_C13-label-4	108342.00	69535.30
2-Deoxyuridine_C13-label-5	123998.29	131063.68
2-Hydroxy-4-(methylthio)butyrate_C12 PARENT	562541.86	640013.69
2-Hydroxy-4-(methylthio)butyrate_C13-label-1	68820.65	101415.06
2-Hydroxybutyrate_C12 PARENT	47038334.67	76847648.81
2-Hydroxybutyrate_C13-label-1	2287277.00	3885881.85
2-Ketoisovalerate_C12 PARENT	11932479.33	15064285.92
2-Ketoisovalerate_C13-label-1	768200.19	905274.81
2-Oxoadipic acid_C12 PARENT	3765079.38	9239903.81
2-Oxoadipic acid_C13-label-1	289845.48	663399.15
3-(2-Hydroxyphenyl)propionate_C12 PARENT	4199076.90	5173083.73
3-(2-Hydroxyphenyl)propionate_C13-label-1	354137.24	514035.23
3-Hydroxy-3-methylglutarate_C12 PARENT	57061447.48	69825056.35
3-Hydroxy-3-methylglutarate_C13-label-1	4004120.24	4748952.92
3-Hydroxy-3-methylglutarate_C13-label-2	333831.81	505701.58
3-Hydroxy-3-methylglutarate_C13-label-3	443828.86	509428.96
3-Hydroxybutyrate_C12 PARENT	121657471.67	140387462.96
3-Hydroxybutyrate_C13-label-1	8692507.33	7790468.42
3-Methyl-2-oxovalerate_C12 PARENT	34476412.00	42974865.85
3-Methyl-2-oxovalerate_C13-label-1	2636996.90	3114866.62
3-Methyl-2-oxovalerate_C13-label-2	73763.25	62171.62
3-Methyl-2-oxovalerate_C13-label-4	56307.00	84606.00
3-Methyladenine_C12 PARENT	974440.19	1325775.12
3-Methyladenine_C13-label-1	164390.08	102969.04
3-Methyladenine_C13-label-5	-	55007.00
3-Phosphoglycerate_C12 PARENT	5267579.86	6944742.23
3-Phosphoglycerate_C13-label-1	342021.19	476621.31
3-Phosphoglycerate_C13-label-3	519002.76	605374.04
4-Hydroxybenzaldehyde_C12 PARENT	63698556.52	82645339.81
4-Hydroxybenzaldehyde_C13-label-1	6767499.05	7265230.08
4-Pyridoxic acid_C12 PARENT	4211676.57	6166319.58
4-Pyridoxic acid_C13-label-1	245258.33	474011.92
5-Deoxy-5-(methylthio)adenosine_C12 PARENT	1063168.62	1783661.04
5-Deoxy-5-(methylthio)adenosine_C13-label-1	147694.31	162540.36
5-Deoxy-5-(methylthio)adenosine_C13-label-11	85755.62	114698.53
Acetylcholine_C12 PARENT	4222578.67	4315012.81
Acetylcholine_C13-label-1	278838.79	222729.84
Acetylcholine_C13-label-3	-	-
Acetylcholine_C13-label-6	11967.00	-
Acetyl CoA_C12 PARENT	533234.86	664733.46
Acetyl CoA_C13-label-1	122830.39	153007.40
Acetyl CoA_C13-label-14	72618.00	108975.00
Acetyl CoA_C13-label-17	-	63015.00
Acetyl CoA_C13-label-2	78933.83	81175.60
Acetyl CoA_C13-label-21	83788.00	67553.00
Acetyl CoA_C13-label-3	-	63195.00
Acetyl CoA_C13-label-6	75510.50	73176.50
Acetyl-serine_C12 PARENT	7750697.00	11123866.35
Acetyl-serine_C13-label-1	988593.76	1094014.46
Acetyl-serine_C13-label-2	339522.17	336359.13
Acetyl-serine_C13-label-3	906893.57	688019.54
Acetyl-serine_C13-label-4	56998.00	26912.00
Acetyl-tryptophan_C12 PARENT	161325.85	261667.38
Acetyl-tryptophan_C13-label-3	72516.25	65211.50
Acetyl-tryptophan_C13-label-4	60636.00	82029.00
Aconitate_C12 PARENT	115716047.24	104945057.04
Aconitate_C13-label-1	16577166.95	22069231.92
Aconitate_C13-label-2	5818852.33	6425355.62
Aconitate_C13-label-3	1852338.24	2133394.88
Aconitate_C13-label-4	157346.55	198073.32
Adenine_C12 PARENT	58195653.00	50503066.81
Adenine_C13-label-1	4071366.90	3251205.12
Adenosine_C12 PARENT	30281293.76	22687552.62
Adenosine_C13-label-1	3630001.43	3110014.54
Adenosine_C13-label-2	499792.81	325648.50
Adenosine_C13-label-3	179005.90	88273.67
Adenosine_C13-label-4	79670.57	51694.00
Adenosine_C13-label-5	126036.00	61738.00
Adenosine_C13-label-6	-	-
ADP_C12 PARENT	46594792.19	42234293.96
ADP_C13-label-1	4784253.86	5405156.04
ADP_C13-label-2	1530053.76	1408111.85
ADP_C13-label-3	413965.10	280611.31
ADP-Glucose_C12 PARENT	1505169.05	1746743.19
ADP-Glucose_C13-label-2	85589.00	-
ADP-Glucose_C13-label-3	83273.00	-
ADP-ribose_C12 PARENT	15929056.86	19543687.08
ADP-ribose_C13-label-1	4171302.57	4103229.81
ADP-ribose_C13-label-12	-	76887.00
ADP-ribose_C13-label-14	98457.38	98103.06
ADP-ribose_C13-label-2	1344915.57	1229410.27
ADP-ribose_C13-label-3	547556.76	447521.73
ADP-ribose_C13-label-4	193996.43	152395.31
Alanine_C12 PARENT	119589837.86	97113774.50
Alanine_C13-label-1	27100515.19	29444675.58
Alanine_C13-label-2	10854648.19	10464999.58
Alanine_C13-label-3	27966406.95	26050699.15
Allantoin_C12 PARENT	184596976.81	161809978.73
Allantoin_C13-label-1	13833654.52	16242722.88
Allantoin_C13-label-2	188276.05	244984.92
Alpha-Ketoglutarate_C12 PARENT	39878080.95	59537615.38
Alpha-Ketoglutarate_C13-label-1	3999284.10	4623612.54
Alpha-Ketoglutarate_C13-label-2	1431691.52	2021788.62
Alpha-Ketoglutarate_C13-label-3	387318.86	527685.81
Alpha-Ketoglutarate_C13-label-4	65849.33	48462.50
AMP_C12 PARENT	119025448.81	48825948.42
AMP_C13-label-1	47182576.38	53720342.73
AMP_C13-label-2	9238706.10	11727809.12
AMP_C13-label-3	3345462.67	3154882.65
AMP_C13-label-4	1263284.48	932745.15
Anserine_C12 PARENT	4320703.14	5691379.23
Anserine_C13-label-1	346384.82	610396.25
Arginine_C12 PARENT	13482099.86	18964955.38
Arginine_C13-label-1	903152.43	1290969.31
Arginino-succinate_C12 PARENT	1820777.38	2097506.46
Arginino-succinate_C13-label-1	274786.24	304703.27
Asparagine_C12 PARENT	118143833.76	152676112.92
Asparagine_C13-label-1	10411735.86	14553153.58
Asparagine_C13-label-2	1135197.95	1040893.35
Asparagine_C13-label-3	547589.29	488144.27
Aspartate_C12 PARENT	90066133.90	58930491.12
Aspartate_C13-label-1	47003742.76	70075460.31
Aspartate_C13-label-2	15737966.48	18824697.04
Aspartate_C13-label-3	7578308.67	10318603.96
Aspartate_C13-label-4	527316.95	509012.62
ATP_C12 PARENT	11210448.67	13063743.46
ATP_C13-label-1	1547517.52	1917933.81
ATP_C13-label-2	432127.76	587842.42
Biotin_C12 PARENT	1485273.00	1859077.62
Biotin_C13-label-1	145575.71	194316.88
Biotin_C13-label-2	28125.00	59035.67
Biotin_C13-label-7	65137.00	-
CDP_C12 PARENT	739033.71	808693.12
CDP-choline_C12 PARENT	13139869.29	13053740.42
CDP-choline_C13-label-1	2081155.57	2183649.31
CDP-choline_C13-label-11	56401.00	58729.00
CDP-choline_C13-label-12	-	60039.00
CDP-choline_C13-label-2	510295.43	485969.69
CDP-choline_C13-label-3	99379.00	93924.00
CDP-choline_C13-label-4	61780.50	69154.67
CDP-choline_C13-label-5	66623.00	67959.50
CDP-ethanolamine_C12 PARENT	44928750.81	46253529.08
CDP-ethanolamine_C13-label-1	5564988.62	6628099.08
CDP-ethanolamine_C13-label-2	1271065.86	1430489.65
CDP-ethanolamine_C13-label-3	192325.52	217916.50
CDP-ethanolamine_C13-label-4	61991.50	62143.12
CDP-ethanolamine_C13-label-5	66103.50	49149.75
CDP-ethanolamine_C13-label-8	56294.00	-
Citramalate_C12 PARENT	126730257.48	118587349.46
Citramalate_C13-label-1	41778664.86	43712710.92
Citramalate_C13-label-2	11106275.62	11789084.00
Citramalate_C13-label-3	4242454.38	4264160.58
Citrate_C12 PARENT	50770258.00	98503018.92
Citrate_C13-label-1	8595602.86	12362223.38
Citrate_C13-label-2	2593405.00	3367093.73
Citrate_C13-label-3	688103.62	1071925.38
Citrulline_C12 PARENT	48441003.24	72606569.92
Citrulline_C13-label-1	6447185.24	7896245.27
Citrulline_C13-label-2	764811.29	882993.88
Citrulline_C13-label-3	103410.40	134617.36
CMP_C12 PARENT	18875742.33	30613569.15
CMP_C13-label-1	1968364.19	3139280.65
CMP_C13-label-2	525615.19	675735.04
CMP_C13-label-3	96245.83	78126.23
Coenzyme A_C12 PARENT	489701.00	616384.08
Coenzyme A_C13-label-1	115425.63	122386.28
Coenzyme A_C13-label-14	91541.00	-
Coenzyme A_C13-label-2	69148.25	65034.33
Coenzyme A_C13-label-21	-	73206.00
Creatine_C12 PARENT	60125367.33	58468287.73
Creatine_C13-label-1	2236157.14	2871503.69
Creatine_C13-label-2	73589.00	88388.50
Creatinine_C12 PARENT	13746082.86	17031079.50
Creatinine_C13-label-1	655320.48	835932.54
Creatinine_C13-label-2	82724.50	63780.00
CTP_C12 PARENT	264449.43	342425.27
Cystathionine_C12 PARENT	1259949.81	2114412.23
Cystathionine_C13-label-1	102487.81	148083.54
Cysteate_C12 PARENT	392319.00	628000.62
Cytidine_C12 PARENT	13565853.29	18589513.08
Cytidine_C13-label-1	1485273.00	1859077.62
Cytidine_C13-label-2	125816.29	158629.62
dAMP_C12 PARENT	1069753.33	1023743.96
Deoxycytidine_C12 PARENT	456448.29	613420.42
Deoxycytidine_C13-label-1	133979.40	129267.80
Dimethyl-arginine_C12 PARENT	1686059.52	2145771.42
Dimethyl-arginine_C13-label-1	157207.85	155649.81
Erythritol_C12 PARENT	323180.48	321247.54
Erythritol_C13-label-1	56334.88	73627.83
Erythritol_C13-label-4	92918.50	-
Ethylmalonic acid_C12 PARENT	14588234.14	17033745.35
Ethylmalonic acid_C13-label-1	974469.95	1067156.69
Ethylmalonic acid_C13-label-3	247440.58	278751.38
FAD_C12 PARENT	1095895.62	1263908.42
FAD_C13-label-1	198736.89	269121.23
FAD_C13-label-19	-	62376.00
FAD_C13-label-2	65017.00	161167.00
FAD_C13-label-3	78966.00	130938.75
FAD_C13-label-4	-	155065.00
Fructose 1 6-bisphosphate_C12 PARENT	1688498.81	2271612.77
Fructose 1 6-bisphosphate_C13-label-1	211900.29	235942.24
Fructose 1 6-bisphosphate_C13-label-2	71895.37	132554.25
Fructose 1 6-bisphosphate_C13-label-3	105212.26	157374.12
Fructose 1 6-bisphosphate_C13-label-5	-	57965.00
Fructose 6-phosphate_C12 PARENT	34989368.62	39273851.31
Fructose 6-phosphate_C13-label-1	5139973.00	5712363.38
Fructose 6-phosphate_C13-label-2	1857364.76	2006330.88
Fructose 6-phosphate_C13-label-3	2165973.95	1589420.73
Fructose 6-phosphate_C13-label-4	410452.24	313499.08
Fructose 6-phosphate_C13-label-5	277364.20	175792.96
Fructose 6-phosphate_C13-label-6	1816514.33	1584510.77
Fumarate_C12 PARENT	148723744.67	143400214.58
Fumarate_C13-label-1	23126295.90	21084489.85
Fumarate_C13-label-2	7748390.52	7442632.88
Fumarate_C13-label-3	3863346.14	3181610.58
GDP_C12 PARENT	1341977.24	1899113.38
GDP_C13-label-1	187124.62	272498.88
Glucose 6-phosphate_C12 PARENT	56093094.57	49708176.54
Glucose 6-phosphate_C13-label-1	7822814.48	7871923.54
Glucose 6-phosphate_C13-label-2	2893210.33	2710702.42
Glucose 6-phosphate_C13-label-3	3197549.76	2472972.12
Glucose 6-phosphate_C13-label-4	546733.90	488587.19
Glucose 6-phosphate_C13-label-5	306016.48	237265.00
Glucose 6-phosphate_C13-label-6	1571434.90	1209158.00
Glucose_C12 PARENT	117859330.24	153352356.81
Glucose_C13-label-1	33762738.33	34273818.42
Glucose_C13-label-2	14873900.81	18737442.42
Glucose_C13-label-3	12705939.05	14065915.81
Glucose_C13-label-4	2618733.19	2011748.50
Glucose_C13-label-5	5362894.00	4499182.15
Glucose_C13-label-6	36434187.86	39575853.42
Glucuronic acid_C12 PARENT	14392713.19	18370840.00
Glucuronic acid_C13-label-1	2489314.24	3309149.00
Glucuronic acid_C13-label-2	1023075.55	1066499.27
Glucuronic acid_C13-label-3	1149223.19	1299788.73
Glucuronic acid_C13-label-4	418925.48	456971.50
Glucuronic acid_C13-label-5	205486.00	187230.68
Glucuronic acid_C13-label-6	570452.14	507158.54
Glucuronolactone_C12 PARENT	3913964.48	6498478.04
Glutamate_C12 PARENT	37043166.19	38999995.77
Glutamate_C13-label-1	153345199.38	84609783.50
Glutamate_C13-label-2	103337991.81	106665515.15
Glutamate_C13-label-3	35210690.62	26142780.65
Glutamate_C13-label-4	1943556.14	1521916.73
Glutamine_C12 PARENT	22914647.05	26627547.88
Glutamine_C13-label-1	86678205.19	215611485.38
Glutamine_C13-label-2	83148559.05	94321527.73
Glutamine_C13-label-3	24973347.81	31910413.54
Glutamine_C13-label-4	1251831.86	1369491.15
Glutamine_C13-label-5	202669.46	163175.76
Glutathione_C12 PARENT	40874285.90	41799908.69
Glutathione_C13-label-1	115802306.24	90671829.08
Glutathione_C13-label-2	77473810.57	73802222.04
Glutathione_C13-label-3	15310744.33	11255234.73
Glutathione_C13-label-4	1254075.48	1034467.31
Glutathione_C13-label-5	175615.67	168083.50
Glutathione Disulfide_C12 PARENT	11300447.43	13835524.00
Glutathione Disulfide_C13-label-1	3191680.24	4393402.35
Glutathione Disulfide_C13-label-2	387705.29	480481.69
Glutathione Disulfide_C13-label-3	136133.70	110517.77
Glyceraldehyde-3-phosphate_C12 PARENT	38516976.86	48185594.23
Glyceraldehyde-3-phosphate_C13-label-1	2741683.95	3390817.88
Glyceraldehyde-3-phosphate_C13-label-3	2944035.10	3151669.15
Glycerate_C12 PARENT	18218357.48	17634530.65
Glycerate_C13-label-1	988897.43	1208087.08
Glycerate_C13-label-2	402258.80	339374.77
Glycerate_C13-label-3	1041079.81	1015212.42
Glycerol 3-phosphate_C12 PARENT	129130710.00	178903544.58
Glycerol 3-phosphate_C13-label-1	13818723.05	15621550.92
Glycerol 3-phosphate_C13-label-2	4813987.71	3253596.08
Glycerol 3-phosphate_C13-label-3	12967159.52	12301561.85
Glycerophosphocholine_C12 PARENT	2095160.52	2270253.50
Glycerophosphocholine_C13-label-1	95559.00	103878.13
Glycerophosphocholine_C13-label-6	-	96583.00
Glycine_C12 PARENT	112752157.76	138521482.85
Glycine_C13-label-1	4347595.29	5454734.27
Glycine_C13-label-2	2061187.14	1721786.23
GMP_C12 PARENT	38527362.05	47313501.62
GMP_C13-label-1	4847477.43	6148249.19
GMP_C13-label-2	1291239.29	1407475.00
GMP_C13-label-3	503839.81	569791.42
GMP_C13-label-4	212710.86	178390.80
GMP_C13-label-5	139182.95	140456.00
GTP_C12 PARENT	704362.14	735736.81
Guanine_C12 PARENT	4856975.38	5967471.19
Guanine_C13-label-1	218884.84	316687.09
Guanosine_C12 PARENT	6384506.10	7102702.19
Guanosine_C13-label-1	857744.24	755259.73
Guanosine_C13-label-8	104383.59	136980.68
Histidine_C12 PARENT	9699490.67	18078332.15
Histidine_C13-label-1	658583.24	1260097.19
Hypotaurine_C12 PARENT	15957069.19	26560396.19
Hypotaurine_C13-label-1	423071.05	489924.92
Hypoxanthine_C12 PARENT	103716482.76	96885821.65
Hypoxanthine_C13-label-1	7077727.10	6173896.62
Inosine_C12 PARENT	92731743.57	49055599.46
Inosine_C13-label-1	65535289.52	71327089.35
Inosine_C13-label-2	9126541.76	9672075.27
Inosine_C13-label-3	4201001.62	3388758.23
Inosine_C13-label-4	1546702.71	1220915.04
Inosine_C13-label-5	1022210.24	753340.08
Inosine_C13-label-6	466580.86	515523.73
Inositol_C12 PARENT	97989518.52	164617105.62
Inositol_C13-label-1	11142546.81	18709619.12
Inositol_C13-label-2	1059099.00	838143.08
Inositol_C13-label-3	1182977.19	1064673.88
Inositol_C13-label-4	325106.81	287193.84
Inositol_C13-label-5	142253.81	151553.81
Inositol_C13-label-6	660880.57	643016.00
Isocitrate_C12 PARENT	80850922.29	46855009.35
Isocitrate_C13-label-1	67566334.24	90438968.00
Isocitrate_C13-label-2	22257058.86	34724156.27
Isocitrate_C13-label-3	8774871.33	10586624.62
Isocitrate_C13-label-4	1013282.33	1275127.23
Isoleucine_C12 PARENT	74483836.76	79002606.88
Isoleucine_C13-label-1	5458199.33	5960554.54
Isoleucine_C13-label-2	176545.70	140829.08
Isovalerylglycine_C12 PARENT	2278490.67	2440562.50
Isovalerylglycine_C13-label-1	144345.05	188002.35
Isovalerylglycine_C13-label-4	-	75872.00
Itaconic acid_C12 PARENT	50798189.86	68841962.88
Itaconic acid_C13-label-1	7867449.62	5176585.69
Itaconic acid_C13-label-2	1535243.95	809948.96
Lactate_C12 PARENT	101478180.76	106138239.38
Lactate_C13-label-1	30120066.62	35677477.38
Lactate_C13-label-2	210981139.90	218043223.46
Lactate_C13-label-3	18133220.48	36878184.50
Lauroyl-Carnitine_C12 PARENT	1234952.19	1244750.42
Lauroyl-Carnitine_C13-label-1	140851.75	157528.22
Lauroyl-Carnitine_C13-label-15	209263.00	-
Lauroyl-Carnitine_C13-label-2	-	103838.00
Lauroyl-Carnitine_C13-label-3	4306536.00	155599.33
Lauroyl-Carnitine_C13-label-4	817355.00	131396.00
Leucine_C12 PARENT	130283889.71	244160179.00
Leucine_C13-label-1	15483144.05	20833974.31
Leucine_C13-label-2	504411.05	582332.54
Lysine_C12 PARENT	54857878.71	61798476.15
Lysine_C13-label-1	4846416.57	5882242.85
Malate_C12 PARENT	39967083.43	45414243.77
Malate_C13-label-1	165911259.14	76416938.08
Malate_C13-label-2	126066444.14	109206703.27
Malate_C13-label-3	63637961.38	56614489.04
Malate_C13-label-4	4476795.29	3896469.62
Methionine_C12 PARENT	31292448.00	27678726.38
Methionine_C13-label-1	1698546.52	1693289.12
Methionine sulfoxide_C12 PARENT	1126090.90	2043243.42
Methionine sulfoxide_C13-label-1	8354816.15	8797697.14
Methionine sulfoxide_C13-label-2	2049424.62	1796514.15
Methionine sulfoxide_C13-label-3	343996.33	282305.62
Methyl-histidine_C12 PARENT	4216814.86	5744240.96
Methyl-histidine_C13-label-1	365575.10	430528.12
N-Acetyl-aspartate_C12 PARENT	56133389.90	24862446.65
N-Acetyl-aspartate_C13-label-1	58556200.81	93483721.73
N-Acetyl-aspartate_C13-label-2	2955906.38	2664953.38
N-Acetyl-aspartate_C13-label-3	1095041.43	956617.73
N-Acetyl-aspartate_C13-label-4	235308.00	88249.50
N-Acetyl-Glucosamine_C12 PARENT	1657097.95	1569500.58
N-Acetyl-Glucosamine_C13-label-4	-	54275.00
N-Acetyl-glutamate_C12 PARENT	16655892.86	26501765.08
N-Acetyl-glutamate_C13-label-1	1810209.29	2195140.19
N-Acetyl-glutamate_C13-label-2	254327.90	402543.15
N-Acetylglycine_C12 PARENT	34602242.76	29233860.54
N-Acetylglycine_C13-label-1	1551383.10	1060156.08
N-Acetyl-L-alanine_C12 PARENT	26453403.95	29765471.23
N-Acetyl-L-alanine_C13-label-1	1868244.10	1785191.77
N-Acetyl-L-alanine_C13-label-2	249374.30	244445.12
N-Acetyl-L-alanine_C13-label-3	610823.10	456178.88
N-Acetyl-Leucine_C12 PARENT	5736160.48	6521703.58
N-Acetyl-Leucine_C13-label-1	505339.20	580069.96
N-Acetyl-Leucine_C13-label-2	64362.00	86607.50
N-Acetyl-Leucine_C13-label-3	-	51685.00
N-acetyl-L-ornithine_C12 PARENT	339090.52	568665.12
N-Acetyl-lysine_C12 PARENT	2916757.38	3832329.12
N-Acetyl-lysine_C13-label-1	209614.05	327670.50
N-Acetyl-methionine_C12 PARENT	10594329.38	8874620.23
N-Acetyl-methionine_C13-label-1	724222.14	739584.42
N-Acetyl-methionine_C13-label-2	80043.50	78267.20
N-Acetylneuraminic acid_C12 PARENT	97868732.57	74232607.62
N-Acetylneuraminic acid_C13-label-1	14502833.38	11822582.50
N-Acetylneuraminic acid_C13-label-2	3121909.14	2636060.69
N-Acetylneuraminic acid_C13-label-3	2617668.76	2321473.77
N-Acetylneuraminic acid_C13-label-4	402577.71	387118.81
N-Acetyl-phenylalanine_C12 PARENT	1584060.90	1841324.92
N-Acetyl-phenylalanine_C13-label-1	188285.38	160110.54
NAD_C12 PARENT	41153138.67	45876433.46
NAD_C13-label-1	13080440.57	15090398.15
NAD_C13-label-18	83914.00	75446.00
NAD_C13-label-2	3052632.05	4155237.08
NAD_C13-label-3	1463143.76	1673154.62
NAD_C13-label-4	563413.24	650268.85
NAD_C13-label-5	299670.57	313503.92
NAD_C13-label-6	52459.00	85409.40
NADH_C12 PARENT	1716115.38	2709399.60
NADH_C13-label-1	481905.25	934054.43
NADH_C13-label-10	131356.75	-
NADH_C13-label-2	213194.88	234430.77
NADP_C12 PARENT	963396.24	1305090.54
NADP_C13-label-1	255202.86	342037.69
NADP_C13-label-10	56469.00	-
NADP_C13-label-2	80097.00	90301.26
NADP_C13-label-6	-	105306.50
N-carbamoyl-aspartate_C12 PARENT	2049008.90	1683851.92
N-carbamoyl-aspartate_C13-label-1	256625.00	186261.96
N-carbamoyl-aspartate_C13-label-3	78551.00	77517.50
N-carbamoyl-aspartate_C13-label-4	46836.00	-
N-Formyl-L-methionine_C12 PARENT	2739761.43	2671326.04
N-Formyl-L-methionine_C13-label-5	125687.40	94760.50
Nicotinamide_C12 PARENT	6997099.81	6868876.81
Nicotinamide_C13-label-1	412585.71	411900.00
Nicotinamide_C13-label-2	311202.00	355117.00
N N-dimethylglycine_C12 PARENT	7693807.10	13244212.65
N N-dimethylglycine_C13-label-1	438775.81	504126.54
Ophthalmate_C12 PARENT	44705483.90	31053528.85
Ophthalmate_C13-label-1	7610139.14	6758810.46
Ophthalmate_C13-label-2	1907368.57	1906415.46
Ophthalmate_C13-label-3	756354.88	409192.00
Ophthalmate_C13-label-4	184915.00	-
Ophthalmate_C13-label-9	534036.81	408670.73
Ornithine_C12 PARENT	8617818.33	9259867.38
Ornithine_C13-label-1	501196.14	595852.73
Orotate_C12 PARENT	5887891.71	7313278.58
Orotate_C13-label-1	1065342.48	1104694.38
Orotate_C13-label-2	238031.33	196868.68
Orotate_C13-label-3	155766.90	119349.43
Orotate_C13-label-5	712398.19	750112.31
O-Succinyl-L-homoserine_C12 PARENT	3418588.95	3735809.12
O-Succinyl-L-homoserine_C13-label-1	681981.86	730882.12
O-Succinyl-L-homoserine_C13-label-2	271240.57	274644.09
O-Succinyl-L-homoserine_C13-label-3	356924.29	236871.15
Palmitoyl-Carnitine_C12 PARENT	2721525.48	3654606.35
Palmitoyl-Carnitine_C13-label-1	754797.81	863466.80
Palmitoyl-Carnitine_C13-label-2	130207.33	122041.17
Palmitoyl-Carnitine_C13-label-3	-	325139.67
Palmitoyl-Carnitine_C13-label-4	-	95766.50
Phenylalanine_C12 PARENT	82612080.29	96884722.58
Phenylalanine_C13-label-1	10843639.29	11250890.38
Phenylalanine_C13-label-2	262318.33	382638.77
Phosphocholine_+Hac_C12 PARENT	80930230.90	126090491.23
Phosphocholine_+Hac_C13-label-1	11330986.29	14189131.27
Phosphoenolpyruvate_C12 PARENT	3677735.29	4152826.46
Phosphoenolpyruvate_C13-label-1	247787.48	334101.35
Phosphoenolpyruvate_C13-label-3	367514.00	356087.38
Pipecolate_C12 PARENT	2643657.52	2933957.92
Pipecolate_C13-label-1	185523.62	187142.00
Proline_C12 PARENT	83467808.57	99630917.00
Proline_C13-label-1	6379785.57	5670030.92
Proline_C13-label-2	798862.81	704388.52
Pterine_C12 PARENT	4043171.90	6941672.15
Pterine_C13-label-1	253876.00	332776.38
Pterine_C13-label-2	14676.00	-
Pyroglutamate_C12 PARENT	126492532.05	185950939.04
Pyroglutamate_C13-label-1	15266640.57	21239680.96
Pyroglutamate_C13-label-2	5293867.38	7741617.08
Pyroglutamate_C13-label-3	1251096.90	2098034.27
Pyroglutamate_C13-label-4	-	211803.00
Pyrrole-2-carboxylic acid_C12 PARENT	2301395.62	1897317.81
Pyrrole-2-carboxylic acid_C13-label-1	145128.95	134319.38
Pyruvate_C12 PARENT	19332842.10	25616758.65
Pyruvate_C13-label-1	2134682.81	2201488.96
Pyruvate_C13-label-2	940756.00	932499.88
Pyruvate_C13-label-3	2550291.90	2338673.42
Retinyl acetate_C12 PARENT	152742657.29	38878272.38
Retinyl acetate_C13-label-1	73381683.43	85271477.04
Retinyl acetate_C13-label-16	2513174.19	1429466.50
Retinyl acetate_C13-label-17	1066054.75	359989.20
Retinyl acetate_C13-label-18	624934.00	-
Retinyl acetate_C13-label-2	9873581.90	11258492.85
Retinyl acetate_C13-label-3	981901.14	958086.81
Retinyl acetate_C13-label-9	247916.00	-
Ribose 5-phosphate_C12 PARENT	36407999.81	43337832.04
Ribose 5-phosphate_C13-label-1	3097929.86	3234157.54
Ribose 5-phosphate_C13-label-2	1004503.48	963183.35
Ribose 5-phosphate_C13-label-3	1156911.05	1091270.19
Ribose 5-phosphate_C13-label-4	121436.88	120158.60
S-Adenosyl-homocysteine_C12 PARENT	3194917.38	4892229.92
S-Adenosyl-homocysteine_C13-label-1	465983.71	671170.92
Serine_C12 PARENT	114804954.48	129554600.35
Serine_C13-label-1	10036737.00	10876718.81
Serine_C13-label-2	1746586.48	1829230.85
Serine_C13-label-3	2257878.43	2128339.88
Suberic acid_C12 PARENT	7231951.43	8291383.88
Suberic acid_C13-label-1	727896.57	648474.69
Succinic acid_C12 PARENT	24541356.95	22485610.42
Succinic acid_C13-label-1	101816010.10	137307617.42
Succinic acid_C13-label-2	40406983.95	58165450.27
Succinic acid_C13-label-3	17594328.05	16040585.50
Succinic acid_C13-label-4	945186.60	1068401.00
Taurine_C12 PARENT	33978243.52	42258884.77
Taurine_C13-label-1	63339836.86	76967825.46
Thiamine_C12 PARENT	3489465.24	5705098.50
Thiamine_C13-label-1	342488.62	633595.95

10-Hydroxydecanoic acid_C12 PARENT

17880237.57

22542019.00

10-Hydroxydecanoic acid_C13-label-1

2052157.00

2032993.62

10-Hydroxydecanoic acid_C13-label-2

65124.33

145323.00

2 3-cAMP_C12 PARENT

25345912.48

30765167.50

2 3-cAMP_C13-label-1

3093044.71

3647561.88

2 3-cAMP_C13-label-10

-

52018.00

2 3-cAMP_C13-label-2

518936.43

560748.19

2 3-cAMP_C13-label-3

125038.71

126412.85

2 3-cAMP_C13-label-4

352585.89

471234.81

2 3-cAMP_C13-label-7

72122.00

71195.00

2-Aminoadipic acid_C12 PARENT

35649675.71

58469068.62

2-Aminoadipic acid_C13-label-1

2325002.05

3619306.08

2-Deoxy-D-glucose_C12 PARENT

6583209.71

6714091.50

2-Deoxy-D-glucose_C13-label-1

378045.00

569631.27

2-Deoxy-D-glucose_C13-label-2

298461.19

315970.27

2-Deoxyuridine_C12 PARENT

21595485.38

21791810.04

2-Deoxyuridine_C13-label-1

2294800.95

2454519.54

2-Deoxyuridine_C13-label-2

342722.43

355448.27

2-Deoxyuridine_C13-label-3

102307.06

118226.40

2-Deoxyuridine_C13-label-4

108342.00

69535.30

2-Deoxyuridine_C13-label-5

123998.29

131063.68

2-Hydroxy-4-(methylthio)butyrate_C12 PARENT

562541.86

640013.69

2-Hydroxy-4-(methylthio)butyrate_C13-label-1

68820.65

101415.06

2-Hydroxybutyrate_C12 PARENT

47038334.67

76847648.81

2-Hydroxybutyrate_C13-label-1

2287277.00

3885881.85

2-Ketoisovalerate_C12 PARENT

11932479.33

15064285.92

2-Ketoisovalerate_C13-label-1

768200.19

905274.81

2-Oxoadipic acid_C12 PARENT

3765079.38

9239903.81

2-Oxoadipic acid_C13-label-1

289845.48

663399.15

3-(2-Hydroxyphenyl)propionate_C12 PARENT

4199076.90

5173083.73

3-(2-Hydroxyphenyl)propionate_C13-label-1

354137.24

514035.23

3-Hydroxy-3-methylglutarate_C12 PARENT

57061447.48

69825056.35

3-Hydroxy-3-methylglutarate_C13-label-1

4004120.24

4748952.92

3-Hydroxy-3-methylglutarate_C13-label-2

333831.81

505701.58

3-Hydroxy-3-methylglutarate_C13-label-3

443828.86

509428.96

3-Hydroxybutyrate_C12 PARENT

121657471.67

140387462.96

3-Hydroxybutyrate_C13-label-1

8692507.33

7790468.42

3-Methyl-2-oxovalerate_C12 PARENT

34476412.00

42974865.85

3-Methyl-2-oxovalerate_C13-label-1

2636996.90

3114866.62

3-Methyl-2-oxovalerate_C13-label-2

73763.25

62171.62

3-Methyl-2-oxovalerate_C13-label-4

56307.00

84606.00

3-Methyladenine_C12 PARENT

974440.19

1325775.12

3-Methyladenine_C13-label-1

164390.08

102969.04

3-Methyladenine_C13-label-5

-

55007.00

3-Phosphoglycerate_C12 PARENT

5267579.86

6944742.23

3-Phosphoglycerate_C13-label-1

342021.19

476621.31

3-Phosphoglycerate_C13-label-3

519002.76

605374.04

4-Hydroxybenzaldehyde_C12 PARENT

63698556.52

82645339.81

4-Hydroxybenzaldehyde_C13-label-1

6767499.05

7265230.08

4-Pyridoxic acid_C12 PARENT

4211676.57

6166319.58

4-Pyridoxic acid_C13-label-1

245258.33

474011.92

5-Deoxy-5-(methylthio)adenosine_C12 PARENT

1063168.62

1783661.04

5-Deoxy-5-(methylthio)adenosine_C13-label-1

147694.31

162540.36

5-Deoxy-5-(methylthio)adenosine_C13-label-11

85755.62

114698.53

Acetylcholine_C12 PARENT

4222578.67

4315012.81

Acetylcholine_C13-label-1

278838.79

222729.84

Acetylcholine_C13-label-3

-

Acetylcholine_C13-label-6

11967.00

-

Acetyl CoA_C12 PARENT

533234.86

664733.46

Acetyl CoA_C13-label-1

122830.39

153007.40

Acetyl CoA_C13-label-14

72618.00

108975.00

Acetyl CoA_C13-label-17

-

63015.00

Acetyl CoA_C13-label-2

78933.83

81175.60

Acetyl CoA_C13-label-21

83788.00

67553.00

Acetyl CoA_C13-label-3

-

63195.00

Acetyl CoA_C13-label-6

75510.50

73176.50

Acetyl-serine_C12 PARENT

7750697.00

11123866.35

Acetyl-serine_C13-label-1

988593.76

1094014.46

Acetyl-serine_C13-label-2

339522.17

336359.13

Acetyl-serine_C13-label-3

906893.57

688019.54

Acetyl-serine_C13-label-4

56998.00

26912.00

Acetyl-tryptophan_C12 PARENT

161325.85

261667.38

Acetyl-tryptophan_C13-label-3

72516.25

65211.50

Acetyl-tryptophan_C13-label-4

60636.00

82029.00

Aconitate_C12 PARENT

115716047.24

104945057.04

Aconitate_C13-label-1

16577166.95

22069231.92

Aconitate_C13-label-2

5818852.33

6425355.62

Aconitate_C13-label-3

1852338.24

2133394.88

Aconitate_C13-label-4

157346.55

198073.32

Adenine_C12 PARENT

58195653.00

50503066.81

Adenine_C13-label-1

4071366.90

3251205.12

Adenosine_C12 PARENT

30281293.76

22687552.62

Adenosine_C13-label-1

3630001.43

3110014.54

Adenosine_C13-label-2

499792.81

325648.50

Adenosine_C13-label-3

179005.90

88273.67

Adenosine_C13-label-4

79670.57

51694.00

Adenosine_C13-label-5

126036.00

61738.00

Adenosine_C13-label-6

-

ADP_C12 PARENT

46594792.19

42234293.96

ADP_C13-label-1

4784253.86

5405156.04

ADP_C13-label-2

1530053.76

1408111.85

ADP_C13-label-3

413965.10

280611.31

ADP-Glucose_C12 PARENT

1505169.05

1746743.19

ADP-Glucose_C13-label-2

85589.00

-

ADP-Glucose_C13-label-3

83273.00

-

ADP-ribose_C12 PARENT

15929056.86

19543687.08

ADP-ribose_C13-label-1

4171302.57

4103229.81

ADP-ribose_C13-label-12

-

76887.00

ADP-ribose_C13-label-14

98457.38

98103.06

ADP-ribose_C13-label-2

1344915.57

1229410.27

ADP-ribose_C13-label-3

547556.76

447521.73

ADP-ribose_C13-label-4

193996.43

152395.31

Alanine_C12 PARENT

119589837.86

97113774.50

Alanine_C13-label-1

27100515.19

29444675.58

Alanine_C13-label-2

10854648.19

10464999.58

Alanine_C13-label-3

27966406.95

26050699.15

Allantoin_C12 PARENT

184596976.81

161809978.73

Allantoin_C13-label-1

13833654.52

16242722.88

Allantoin_C13-label-2

188276.05

244984.92

Alpha-Ketoglutarate_C12 PARENT

39878080.95

59537615.38

Alpha-Ketoglutarate_C13-label-1

3999284.10

4623612.54

Alpha-Ketoglutarate_C13-label-2

1431691.52

2021788.62

Alpha-Ketoglutarate_C13-label-3

387318.86

527685.81

Alpha-Ketoglutarate_C13-label-4

65849.33

48462.50

AMP_C12 PARENT

119025448.81

48825948.42

AMP_C13-label-1

47182576.38

53720342.73

AMP_C13-label-2

9238706.10

11727809.12

AMP_C13-label-3

3345462.67

3154882.65

AMP_C13-label-4

1263284.48

932745.15

Anserine_C12 PARENT

4320703.14

5691379.23

Anserine_C13-label-1

346384.82

610396.25

Arginine_C12 PARENT

13482099.86

18964955.38

Arginine_C13-label-1

903152.43

1290969.31

Arginino-succinate_C12 PARENT

1820777.38

2097506.46

Arginino-succinate_C13-label-1

274786.24

304703.27

Asparagine_C12 PARENT

118143833.76

152676112.92

Asparagine_C13-label-1

10411735.86

14553153.58

Asparagine_C13-label-2

1135197.95

1040893.35

Asparagine_C13-label-3

547589.29

488144.27

Aspartate_C12 PARENT

90066133.90

58930491.12

Aspartate_C13-label-1

47003742.76

70075460.31

Aspartate_C13-label-2

15737966.48

18824697.04

Aspartate_C13-label-3

7578308.67

10318603.96

Aspartate_C13-label-4

527316.95

509012.62

ATP_C12 PARENT

11210448.67

13063743.46

ATP_C13-label-1

1547517.52

1917933.81

ATP_C13-label-2

432127.76

587842.42

Biotin_C12 PARENT

1485273.00

1859077.62

Biotin_C13-label-1

145575.71

194316.88

Biotin_C13-label-2

28125.00

59035.67

Biotin_C13-label-7

65137.00

-

CDP_C12 PARENT

739033.71

808693.12

CDP-choline_C12 PARENT

13139869.29

13053740.42

CDP-choline_C13-label-1

2081155.57

2183649.31

CDP-choline_C13-label-11

56401.00

58729.00

CDP-choline_C13-label-12

-

60039.00

CDP-choline_C13-label-2

510295.43

485969.69

CDP-choline_C13-label-3

99379.00

93924.00

CDP-choline_C13-label-4

61780.50

69154.67

CDP-choline_C13-label-5

66623.00

67959.50

CDP-ethanolamine_C12 PARENT

44928750.81

46253529.08

CDP-ethanolamine_C13-label-1

5564988.62

6628099.08

CDP-ethanolamine_C13-label-2

1271065.86

1430489.65

CDP-ethanolamine_C13-label-3

192325.52

217916.50

CDP-ethanolamine_C13-label-4

61991.50

62143.12

CDP-ethanolamine_C13-label-5

66103.50

49149.75

CDP-ethanolamine_C13-label-8

56294.00

-

Citramalate_C12 PARENT

126730257.48

118587349.46

Citramalate_C13-label-1

41778664.86

43712710.92

Citramalate_C13-label-2

11106275.62

11789084.00

Citramalate_C13-label-3

4242454.38

4264160.58

Citrate_C12 PARENT

50770258.00

98503018.92

Citrate_C13-label-1

8595602.86

12362223.38

Citrate_C13-label-2

2593405.00

3367093.73

Citrate_C13-label-3

688103.62

1071925.38

Citrulline_C12 PARENT

48441003.24

72606569.92

Citrulline_C13-label-1

6447185.24

7896245.27

Citrulline_C13-label-2

764811.29

882993.88

Citrulline_C13-label-3

103410.40

134617.36

CMP_C12 PARENT

18875742.33

30613569.15

CMP_C13-label-1

1968364.19

3139280.65

CMP_C13-label-2

525615.19

675735.04

CMP_C13-label-3

96245.83

78126.23

Coenzyme A_C12 PARENT

489701.00

616384.08

Coenzyme A_C13-label-1

115425.63

122386.28

Coenzyme A_C13-label-14

91541.00

-

Coenzyme A_C13-label-2

69148.25

65034.33

Coenzyme A_C13-label-21

-

73206.00

Creatine_C12 PARENT

60125367.33

58468287.73

Creatine_C13-label-1

2236157.14

2871503.69

Creatine_C13-label-2

73589.00

88388.50

Creatinine_C12 PARENT

13746082.86

17031079.50

Creatinine_C13-label-1

655320.48

835932.54

Creatinine_C13-label-2

82724.50

63780.00

CTP_C12 PARENT

264449.43

342425.27

Cystathionine_C12 PARENT

1259949.81

2114412.23

Cystathionine_C13-label-1

102487.81

148083.54

Cysteate_C12 PARENT

392319.00

628000.62

Cytidine_C12 PARENT

13565853.29

18589513.08

Cytidine_C13-label-1

1485273.00

1859077.62

Cytidine_C13-label-2

125816.29

158629.62

dAMP_C12 PARENT

1069753.33

1023743.96

Deoxycytidine_C12 PARENT

456448.29

613420.42

Deoxycytidine_C13-label-1

133979.40

129267.80

Dimethyl-arginine_C12 PARENT

1686059.52

2145771.42

Dimethyl-arginine_C13-label-1

157207.85

155649.81

Erythritol_C12 PARENT

323180.48

321247.54

Erythritol_C13-label-1

56334.88

73627.83

Erythritol_C13-label-4

92918.50

-

Ethylmalonic acid_C12 PARENT

14588234.14

17033745.35

Ethylmalonic acid_C13-label-1

974469.95

1067156.69

Ethylmalonic acid_C13-label-3

247440.58

278751.38

FAD_C12 PARENT

1095895.62

1263908.42

FAD_C13-label-1

198736.89

269121.23

FAD_C13-label-19

-

62376.00

FAD_C13-label-2

65017.00

161167.00

FAD_C13-label-3

78966.00

130938.75

FAD_C13-label-4

-

155065.00

Fructose 1 6-bisphosphate_C12 PARENT

1688498.81

2271612.77

Fructose 1 6-bisphosphate_C13-label-1

211900.29

235942.24

Fructose 1 6-bisphosphate_C13-label-2

71895.37

132554.25

Fructose 1 6-bisphosphate_C13-label-3

105212.26

157374.12

Fructose 1 6-bisphosphate_C13-label-5

-

57965.00

Fructose 6-phosphate_C12 PARENT

34989368.62

39273851.31

Fructose 6-phosphate_C13-label-1

5139973.00

5712363.38

Fructose 6-phosphate_C13-label-2

1857364.76

2006330.88

Fructose 6-phosphate_C13-label-3

2165973.95

1589420.73

Fructose 6-phosphate_C13-label-4

410452.24

313499.08

Fructose 6-phosphate_C13-label-5

277364.20

175792.96

Fructose 6-phosphate_C13-label-6

1816514.33

1584510.77

Fumarate_C12 PARENT

148723744.67

143400214.58

Fumarate_C13-label-1

23126295.90

21084489.85

Fumarate_C13-label-2

7748390.52

7442632.88

Fumarate_C13-label-3

3863346.14

3181610.58

GDP_C12 PARENT

1341977.24

1899113.38

GDP_C13-label-1

187124.62

272498.88

Glucose 6-phosphate_C12 PARENT

56093094.57

49708176.54

Glucose 6-phosphate_C13-label-1

7822814.48

7871923.54

Glucose 6-phosphate_C13-label-2

2893210.33

2710702.42

Glucose 6-phosphate_C13-label-3

3197549.76

2472972.12

Glucose 6-phosphate_C13-label-4

546733.90

488587.19

Glucose 6-phosphate_C13-label-5

306016.48

237265.00

Glucose 6-phosphate_C13-label-6

1571434.90

1209158.00

Glucose_C12 PARENT

117859330.24

153352356.81

Glucose_C13-label-1

33762738.33

34273818.42

Glucose_C13-label-2

14873900.81

18737442.42

Glucose_C13-label-3

12705939.05

14065915.81

Glucose_C13-label-4

2618733.19

2011748.50

Glucose_C13-label-5

5362894.00

4499182.15

Glucose_C13-label-6

36434187.86

39575853.42

Glucuronic acid_C12 PARENT

14392713.19

18370840.00

Glucuronic acid_C13-label-1

2489314.24

3309149.00

Glucuronic acid_C13-label-2

1023075.55

1066499.27

Glucuronic acid_C13-label-3

1149223.19

1299788.73

Glucuronic acid_C13-label-4

418925.48

456971.50

Glucuronic acid_C13-label-5

205486.00

187230.68

Glucuronic acid_C13-label-6

570452.14

507158.54

Glucuronolactone_C12 PARENT

3913964.48

6498478.04

Glutamate_C12 PARENT

37043166.19

38999995.77

Glutamate_C13-label-1

153345199.38

84609783.50

Glutamate_C13-label-2

103337991.81

106665515.15

Glutamate_C13-label-3

35210690.62

26142780.65

Glutamate_C13-label-4

1943556.14

1521916.73

Glutamine_C12 PARENT

22914647.05

26627547.88

Glutamine_C13-label-1

86678205.19

215611485.38

Glutamine_C13-label-2

83148559.05

94321527.73

Glutamine_C13-label-3

24973347.81

31910413.54

Glutamine_C13-label-4

1251831.86

1369491.15

Glutamine_C13-label-5

202669.46

163175.76

Glutathione_C12 PARENT

40874285.90

41799908.69

Glutathione_C13-label-1

115802306.24

90671829.08

Glutathione_C13-label-2

77473810.57

73802222.04

Glutathione_C13-label-3

15310744.33

11255234.73

Glutathione_C13-label-4

1254075.48

1034467.31

Glutathione_C13-label-5

175615.67

168083.50

Glutathione Disulfide_C12 PARENT

11300447.43

13835524.00

Glutathione Disulfide_C13-label-1

3191680.24

4393402.35

Glutathione Disulfide_C13-label-2

387705.29

480481.69

Glutathione Disulfide_C13-label-3

136133.70

110517.77

Glyceraldehyde-3-phosphate_C12 PARENT

38516976.86

48185594.23

Glyceraldehyde-3-phosphate_C13-label-1

2741683.95

3390817.88

Glyceraldehyde-3-phosphate_C13-label-3

2944035.10

3151669.15

Glycerate_C12 PARENT

18218357.48

17634530.65

Glycerate_C13-label-1

988897.43

1208087.08

Glycerate_C13-label-2

402258.80

339374.77

Glycerate_C13-label-3

1041079.81

1015212.42

Glycerol 3-phosphate_C12 PARENT

129130710.00

178903544.58

Glycerol 3-phosphate_C13-label-1

13818723.05

15621550.92

Glycerol 3-phosphate_C13-label-2

4813987.71

3253596.08

Glycerol 3-phosphate_C13-label-3

12967159.52

12301561.85

Glycerophosphocholine_C12 PARENT

2095160.52

2270253.50

Glycerophosphocholine_C13-label-1

95559.00

103878.13

Glycerophosphocholine_C13-label-6

-

96583.00

Glycine_C12 PARENT

112752157.76

138521482.85

Glycine_C13-label-1

4347595.29

5454734.27

Glycine_C13-label-2

2061187.14

1721786.23

GMP_C12 PARENT

38527362.05

47313501.62

GMP_C13-label-1

4847477.43

6148249.19

GMP_C13-label-2

1291239.29

1407475.00

GMP_C13-label-3

503839.81

569791.42

GMP_C13-label-4

212710.86

178390.80

GMP_C13-label-5

139182.95

140456.00

GTP_C12 PARENT

704362.14

735736.81

Guanine_C12 PARENT

4856975.38

5967471.19

Guanine_C13-label-1

218884.84

316687.09

Guanosine_C12 PARENT

6384506.10

7102702.19

Guanosine_C13-label-1

857744.24

755259.73

Guanosine_C13-label-8

104383.59

136980.68

Histidine_C12 PARENT

9699490.67

18078332.15

Histidine_C13-label-1

658583.24

1260097.19

Hypotaurine_C12 PARENT

15957069.19

26560396.19

Hypotaurine_C13-label-1

423071.05

489924.92

Hypoxanthine_C12 PARENT

103716482.76

96885821.65

Hypoxanthine_C13-label-1

7077727.10

6173896.62

Inosine_C12 PARENT

92731743.57

49055599.46

Inosine_C13-label-1

65535289.52

71327089.35

Inosine_C13-label-2

9126541.76

9672075.27

Inosine_C13-label-3

4201001.62

3388758.23

Inosine_C13-label-4

1546702.71

1220915.04

Inosine_C13-label-5

1022210.24

753340.08

Inosine_C13-label-6

466580.86

515523.73

Inositol_C12 PARENT

97989518.52

164617105.62

Inositol_C13-label-1

11142546.81

18709619.12

Inositol_C13-label-2

1059099.00

838143.08

Inositol_C13-label-3

1182977.19

1064673.88

Inositol_C13-label-4

325106.81

287193.84

Inositol_C13-label-5

142253.81

151553.81

Inositol_C13-label-6

660880.57

643016.00

Isocitrate_C12 PARENT

80850922.29

46855009.35

Isocitrate_C13-label-1

67566334.24

90438968.00

Isocitrate_C13-label-2

22257058.86

34724156.27

Isocitrate_C13-label-3

8774871.33

10586624.62

Isocitrate_C13-label-4

1013282.33

1275127.23

Isoleucine_C12 PARENT

74483836.76

79002606.88

Isoleucine_C13-label-1

5458199.33

5960554.54

Isoleucine_C13-label-2

176545.70

140829.08

Isovalerylglycine_C12 PARENT

2278490.67

2440562.50

Isovalerylglycine_C13-label-1

144345.05

188002.35

Isovalerylglycine_C13-label-4

-

75872.00

Itaconic acid_C12 PARENT

50798189.86

68841962.88

Itaconic acid_C13-label-1

7867449.62

5176585.69

Itaconic acid_C13-label-2

1535243.95

809948.96

Lactate_C12 PARENT

101478180.76

106138239.38

Lactate_C13-label-1

30120066.62

35677477.38

Lactate_C13-label-2

210981139.90

218043223.46

Lactate_C13-label-3

18133220.48

36878184.50

Lauroyl-Carnitine_C12 PARENT

1234952.19

1244750.42

Lauroyl-Carnitine_C13-label-1

140851.75

157528.22

Lauroyl-Carnitine_C13-label-15

209263.00

-

Lauroyl-Carnitine_C13-label-2

-

103838.00

Lauroyl-Carnitine_C13-label-3

4306536.00

155599.33

Lauroyl-Carnitine_C13-label-4

817355.00

131396.00

Leucine_C12 PARENT

130283889.71

244160179.00

Leucine_C13-label-1

15483144.05

20833974.31

Leucine_C13-label-2

504411.05

582332.54

Lysine_C12 PARENT

54857878.71

61798476.15

Lysine_C13-label-1

4846416.57

5882242.85

Malate_C12 PARENT

39967083.43

45414243.77

Malate_C13-label-1

165911259.14

76416938.08

Malate_C13-label-2

126066444.14

109206703.27

Malate_C13-label-3

63637961.38

56614489.04

Malate_C13-label-4

4476795.29

3896469.62

Methionine_C12 PARENT

31292448.00

27678726.38

Methionine_C13-label-1

1698546.52

1693289.12

Methionine sulfoxide_C12 PARENT

1126090.90

2043243.42

Methionine sulfoxide_C13-label-1

8354816.15

8797697.14

Methionine sulfoxide_C13-label-2

2049424.62

1796514.15

Methionine sulfoxide_C13-label-3

343996.33

282305.62

Methyl-histidine_C12 PARENT

4216814.86

5744240.96

Methyl-histidine_C13-label-1

365575.10

430528.12

N-Acetyl-aspartate_C12 PARENT

56133389.90

24862446.65

N-Acetyl-aspartate_C13-label-1

58556200.81

93483721.73

N-Acetyl-aspartate_C13-label-2

2955906.38

2664953.38

N-Acetyl-aspartate_C13-label-3

1095041.43

956617.73

N-Acetyl-aspartate_C13-label-4

235308.00

88249.50

N-Acetyl-Glucosamine_C12 PARENT

1657097.95

1569500.58

N-Acetyl-Glucosamine_C13-label-4

-

54275.00

N-Acetyl-glutamate_C12 PARENT

16655892.86

26501765.08

N-Acetyl-glutamate_C13-label-1

1810209.29

2195140.19

N-Acetyl-glutamate_C13-label-2

254327.90

402543.15

N-Acetylglycine_C12 PARENT

34602242.76

29233860.54

N-Acetylglycine_C13-label-1

1551383.10

1060156.08

N-Acetyl-L-alanine_C12 PARENT

26453403.95

29765471.23

N-Acetyl-L-alanine_C13-label-1

1868244.10

1785191.77

N-Acetyl-L-alanine_C13-label-2

249374.30

244445.12

N-Acetyl-L-alanine_C13-label-3

610823.10

456178.88

N-Acetyl-Leucine_C12 PARENT

5736160.48

6521703.58

N-Acetyl-Leucine_C13-label-1

505339.20

580069.96

N-Acetyl-Leucine_C13-label-2

64362.00

86607.50

N-Acetyl-Leucine_C13-label-3

-

51685.00

N-acetyl-L-ornithine_C12 PARENT

339090.52

568665.12

N-Acetyl-lysine_C12 PARENT

2916757.38

3832329.12

N-Acetyl-lysine_C13-label-1

209614.05

327670.50

N-Acetyl-methionine_C12 PARENT

10594329.38

8874620.23

N-Acetyl-methionine_C13-label-1

724222.14

739584.42

N-Acetyl-methionine_C13-label-2

80043.50

78267.20

N-Acetylneuraminic acid_C12 PARENT

97868732.57

74232607.62

N-Acetylneuraminic acid_C13-label-1

14502833.38

11822582.50

N-Acetylneuraminic acid_C13-label-2

3121909.14

2636060.69

N-Acetylneuraminic acid_C13-label-3

2617668.76

2321473.77

N-Acetylneuraminic acid_C13-label-4

402577.71

387118.81

N-Acetyl-phenylalanine_C12 PARENT

1584060.90

1841324.92

N-Acetyl-phenylalanine_C13-label-1

188285.38

160110.54

NAD_C12 PARENT

41153138.67

45876433.46

NAD_C13-label-1

13080440.57

15090398.15

NAD_C13-label-18

83914.00

75446.00

NAD_C13-label-2

3052632.05

4155237.08

NAD_C13-label-3

1463143.76

1673154.62

NAD_C13-label-4

563413.24

650268.85

NAD_C13-label-5

299670.57

313503.92

NAD_C13-label-6

52459.00

85409.40

NADH_C12 PARENT

1716115.38

2709399.60

NADH_C13-label-1

481905.25

934054.43

NADH_C13-label-10

131356.75

-

NADH_C13-label-2

213194.88

234430.77

NADP_C12 PARENT

963396.24

1305090.54

NADP_C13-label-1

255202.86

342037.69

NADP_C13-label-10

56469.00

-

NADP_C13-label-2

80097.00

90301.26

NADP_C13-label-6

-

105306.50

N-carbamoyl-aspartate_C12 PARENT

2049008.90

1683851.92

N-carbamoyl-aspartate_C13-label-1

256625.00

186261.96

N-carbamoyl-aspartate_C13-label-3

78551.00

77517.50

N-carbamoyl-aspartate_C13-label-4

46836.00

-

N-Formyl-L-methionine_C12 PARENT

2739761.43

2671326.04

N-Formyl-L-methionine_C13-label-5

125687.40

94760.50

Nicotinamide_C12 PARENT

6997099.81

6868876.81

Nicotinamide_C13-label-1

412585.71

411900.00

Nicotinamide_C13-label-2

311202.00

355117.00

N N-dimethylglycine_C12 PARENT

7693807.10

13244212.65

N N-dimethylglycine_C13-label-1

438775.81

504126.54

Ophthalmate_C12 PARENT

44705483.90

31053528.85

Ophthalmate_C13-label-1

7610139.14

6758810.46

Ophthalmate_C13-label-2

1907368.57

1906415.46

Ophthalmate_C13-label-3

756354.88

409192.00

Ophthalmate_C13-label-4

184915.00

-

Ophthalmate_C13-label-9

534036.81

408670.73

Ornithine_C12 PARENT

8617818.33

9259867.38

Ornithine_C13-label-1

501196.14

595852.73

Orotate_C12 PARENT

5887891.71

7313278.58

Orotate_C13-label-1

1065342.48

1104694.38

Orotate_C13-label-2

238031.33

196868.68

Orotate_C13-label-3

155766.90

119349.43

Orotate_C13-label-5

712398.19

750112.31

O-Succinyl-L-homoserine_C12 PARENT

3418588.95

3735809.12

O-Succinyl-L-homoserine_C13-label-1

681981.86

730882.12

O-Succinyl-L-homoserine_C13-label-2

271240.57

274644.09

O-Succinyl-L-homoserine_C13-label-3

356924.29

236871.15

Palmitoyl-Carnitine_C12 PARENT

2721525.48

3654606.35

Palmitoyl-Carnitine_C13-label-1

754797.81

863466.80

Palmitoyl-Carnitine_C13-label-2

130207.33

122041.17

Palmitoyl-Carnitine_C13-label-3

-

325139.67

Palmitoyl-Carnitine_C13-label-4

-

95766.50

Phenylalanine_C12 PARENT

82612080.29

96884722.58

Phenylalanine_C13-label-1

10843639.29

11250890.38

Phenylalanine_C13-label-2

262318.33

382638.77

Phosphocholine_+Hac_C12 PARENT

80930230.90

126090491.23

Phosphocholine_+Hac_C13-label-1

11330986.29

14189131.27

Phosphoenolpyruvate_C12 PARENT

3677735.29

4152826.46

Phosphoenolpyruvate_C13-label-1

247787.48

334101.35

Phosphoenolpyruvate_C13-label-3

367514.00

356087.38

Pipecolate_C12 PARENT

2643657.52

2933957.92

Pipecolate_C13-label-1

185523.62

187142.00

Proline_C12 PARENT

83467808.57

99630917.00

Proline_C13-label-1

6379785.57

5670030.92

Proline_C13-label-2

798862.81

704388.52

Pterine_C12 PARENT

4043171.90

6941672.15

Pterine_C13-label-1

253876.00

332776.38

Pterine_C13-label-2

14676.00

-

Pyroglutamate_C12 PARENT

126492532.05

185950939.04

Pyroglutamate_C13-label-1

15266640.57

21239680.96

Pyroglutamate_C13-label-2

5293867.38

7741617.08

Pyroglutamate_C13-label-3

1251096.90

2098034.27

Pyroglutamate_C13-label-4

-

211803.00

Pyrrole-2-carboxylic acid_C12 PARENT

2301395.62

1897317.81

Pyrrole-2-carboxylic acid_C13-label-1

145128.95

134319.38

Pyruvate_C12 PARENT

19332842.10

25616758.65

Pyruvate_C13-label-1

2134682.81

2201488.96

Pyruvate_C13-label-2

940756.00

932499.88

Pyruvate_C13-label-3

2550291.90

2338673.42

Retinyl acetate_C12 PARENT

152742657.29

38878272.38

Retinyl acetate_C13-label-1

73381683.43

85271477.04

Retinyl acetate_C13-label-16

2513174.19

1429466.50

Retinyl acetate_C13-label-17

1066054.75

359989.20

Retinyl acetate_C13-label-18

624934.00

-

Retinyl acetate_C13-label-2

9873581.90

11258492.85

Retinyl acetate_C13-label-3

981901.14

958086.81

Retinyl acetate_C13-label-9

247916.00

-

Ribose 5-phosphate_C12 PARENT

36407999.81

43337832.04

Ribose 5-phosphate_C13-label-1

3097929.86

3234157.54

Ribose 5-phosphate_C13-label-2

1004503.48

963183.35

Ribose 5-phosphate_C13-label-3

1156911.05

1091270.19

Ribose 5-phosphate_C13-label-4

121436.88

120158.60

S-Adenosyl-homocysteine_C12 PARENT

3194917.38

4892229.92

S-Adenosyl-homocysteine_C13-label-1

465983.71

671170.92

Serine_C12 PARENT

114804954.48

129554600.35

Serine_C13-label-1

10036737.00

10876718.81

Serine_C13-label-2

1746586.48

1829230.85

Serine_C13-label-3

2257878.43

2128339.88

Suberic acid_C12 PARENT

7231951.43

8291383.88

Suberic acid_C13-label-1

727896.57

648474.69

Succinic acid_C12 PARENT

24541356.95

22485610.42

Succinic acid_C13-label-1

101816010.10

137307617.42

Succinic acid_C13-label-2

40406983.95

58165450.27

Succinic acid_C13-label-3

17594328.05

16040585.50

Succinic acid_C13-label-4

945186.60

1068401.00

Taurine_C12 PARENT

33978243.52

42258884.77

Taurine_C13-label-1

63339836.86

76967825.46

Thiamine_C12 PARENT

3489465.24

5705098.50

Thiamine_C13-label-1

342488.62

633595.95

Threonine_C12 PARENT

148714688.76

135450244.65

Threonine_C13-label-1

5992824.29

7931132.73

Thymidine_C12 PARENT

31504834.10

38588334.50

Thymidine_C13-label-1

3471578.38

4196061.77

Thymidine_C13-label-2

430949.52

407205.12

Thymidine_C13-label-3

84033.91

76411.00

Thymidine_C13-label-4

173554.40

151405.46

Thymidine_C13-label-5

150338.67

137120.50

Thymidine_C13-label-7

86025.64

86549.10

Thymine_C12 PARENT

6920395.62

6941544.42

Thymine_C13-label-1

353296.00

353062.12

trans-4-Hydroxy-L-proline_C12 PARENT

30145953.43

33827718.96

trans-4-Hydroxy-L-proline_C13-label-1

1346799.71

1715687.54

Tryptophan_C12 PARENT

43260558.90

49287511.92

Tryptophan_C13-label-1

5221171.95

4853709.42

Tyrosine_C12 PARENT

46707629.76

71790150.15

UDP_C12 PARENT

5364558.86

6292773.27

UDP_C13-label-1

728409.86

695498.46

UDP_C13-label-2

200860.48

194838.62

UDP-Glucose_C12 PARENT

41277814.24

50810354.50

UDP-Glucose_C13-label-1

14490910.00

18601841.92

UDP-Glucose_C13-label-2

7658089.33

9779167.73

UDP-Glucose_C13-label-3

6153848.71

6407385.85

UDP-Glucose_C13-label-4

2727619.86

2977604.00

UDP-Glucose_C13-label-5

1176433.29

1234765.12

UDP-Glucose_C13-label-6

2990963.95

2588512.35

UDP-Glucose_C13-label-7

409342.10

411194.27

UDP-Glucose_C13-label-8

172652.21

148015.92

UDP-Glucose_C13-label-9

94636.00

84542.00

UDP-N-acetylglucosamine_C12 PARENT

119878027.00

146633658.19

UDP-N-acetylglucosamine_C13-label-1

34312857.90

41614883.81

UDP-N-acetylglucosamine_C13-label-2

15298821.81

15007607.62

UDP-N-acetylglucosamine_C13-label-3

8805743.48

8471383.58

UDP-N-acetylglucosamine_C13-label-4

3591663.24

3574302.85

UDP-N-acetylglucosamine_C13-label-5

2098080.95

1724575.50

UDP-N-acetylglucosamine_C13-label-6

3984073.52

3340784.62

UDP-N-acetylglucosamine_C13-label-7

652162.76

595464.00

UDP-N-acetylglucosamine_C13-label-8

220343.35

182207.12

UDP-N-acetylglucosamine_C13-label-9

95490.71

79486.00

UMP_C12 PARENT

95792741.43

90409514.19

UMP_C13-label-1

11042241.62

12675499.23

UMP_C13-label-2

3338723.52

3116817.73

UMP_C13-label-3

1109986.81

984137.77

UMP_C13-label-4

459390.95

302101.12

UMP_C13-label-5

295140.67

231877.38

Uracil_C12 PARENT

182642796.05

144293006.58

Uracil_C13-label-1

14282596.38

13631958.08

Uracil_C13-label-2

1059202.95

784568.54

Uracil_C13-label-3

285528.14

182437.20

Uric acid_C12 PARENT

149848404.52

167748766.50

Uric acid_C13-label-1

4718731.11

5120536.48

Uridine_C12 PARENT

146234535.86

139860466.46

Uridine_C13-label-1

36543105.19

26921493.65

Uridine_C13-label-2

5892735.00

4070257.00

Uridine_C13-label-3

2801937.76

2339705.69

Uridine_C13-label-4

1291674.14

883722.58

Uridine_C13-label-5

968498.67

505145.58

Uridine_C13-label-6

135882.93

126635.58

UTP_C12 PARENT

2052091.05

2479202.65

UTP_C13-label-1

250990.71

291915.08

Valine_C12 PARENT

92946363.19

97459142.77

Valine_C13-label-1

6095732.90

6438879.73

Valine_C13-label-2

88321.15

103522.44

Xanthine_C12 PARENT

28376332.62

25786229.23

Xanthine_C13-label-1

47417860.81

50273988.00

Xanthine_C13-label-2

1131929.33

1018217.88

Xanthine_C13-label-3

196280.81

193018.04

Data for ST003893

Factors:

F1	Diet:Control
F2	Diet:Ser/Gly free