Clustering data with hclust algorithm for (Study ST003890)

HILIC NEGATIVE ION MODE (Analysis AN006391)
MetaboliteStructureF1F2F3F4F5F6F7F8
3-Hydroxybutyrate_C12 PARENTME10291471.460.340.580.391.582.520.540.21
2-Deoxyuridine_C13-label-4ME10291360.16NA0.141.330.12NANA2.40
Guanine_C13-label-1ME1029377NANA0.701.650.91NA0.781.14
Arginino-succinate_C13-label-3ME10292180.93NA0.840.981.25NANANA
N-acetyl-L-ornithine_C13-label-1ME1029476NA0.581.00NA1.670.58NA0.62
2-Aminoadipic acid_C13-label-1ME10291300.330.330.290.454.570.250.360.88
GMP_C13-label-8ME10293690.590.220.350.712.910.351.920.77
2-Aminoadipic acid_C13-label-2ME10291310.190.280.190.272.960.120.280.50
Citrulline_C13-label-2ME10292540.070.510.500.572.700.630.320.83
Lactate_C13-label-1ME10294241.180.300.601.022.530.490.201.64
Citrulline_C12 PARENTME10292520.701.080.531.142.840.350.610.68
Citrulline_C13-label-1ME10292530.880.890.510.942.660.430.481.02
Ornithine_C13-label-1ME10295210.800.940.450.702.790.270.671.03
Erythritol_C13-label-1ME1029280NA2.32NA0.81NA0.710.74NA
Guanidinosuccinic acid_C12 PARENTME10293730.472.411.880.610.280.140.100.01
Guanidinosuccinic acid_C13-label-1ME10293740.571.661.561.670.320.170.150.27
UMP_C12 PARENTME10296180.690.572.580.420.381.221.041.05
Glucose_C12 PARENTME10293041.021.012.450.860.750.920.510.60
Quinic acid_C12 PARENTME10295560.770.872.670.581.050.530.990.65
O-Succinyl-L-homoserine_C13-label-3ME10295300.031.582.470.360.500.691.630.77
Uracil_C13-label-2ME10296270.700.622.600.220.680.262.020.88
Glutathione_C13-label-1ME10293411.210.540.530.570.701.560.602.03
N-Acetyl-aspartate_C13-label-4ME10294580.28NANA0.260.501.540.842.58
Inosine_C12 PARENTME10293990.410.440.181.621.391.500.291.89
Homoarginine_C12 PARENTME10293860.570.520.410.682.230.850.951.33
Alanine_C12 PARENTME10291931.010.340.380.781.911.110.441.78
Glutamine_C13-label-1ME10293330.800.500.520.211.831.310.461.89
Alpha-Ketoglutarate_C13-label-3ME10292020.470.660.780.900.401.352.480.58
Ophthalmate_C13-label-1ME10295150.390.980.760.510.851.512.400.44
Ophthalmate_C13-label-3ME10295170.260.801.120.270.551.832.580.42
Ophthalmate_C13-label-4ME10295180.260.891.200.320.331.891.780.38
Phosphoenolpyruvate_C13-label-1ME10295370.760.590.640.380.541.901.860.73
3-Methoxytyramine_C12 PARENTME10291501.440.970.951.120.231.042.210.36
Glutamine_C13-label-2ME10293341.350.690.941.050.390.832.370.70
Alpha-Ketoglutarate_C13-label-2ME10292030.710.761.130.980.390.463.260.65
Glutamate_C13-label-3ME10293300.411.000.770.631.020.672.440.96
Glutamate_C13-label-2ME10293290.741.190.960.960.610.612.290.79
UMP_C13-label-4ME10296220.761.101.100.640.640.562.470.67
Uridine_C13-label-4ME10296350.740.931.180.600.540.892.490.61
Orotate_C13-label-2ME10295250.410.911.890.440.440.602.350.47
O-Succinyl-L-homoserine_C13-label-2ME10295290.351.032.240.600.310.782.190.38
Ophthalmate_C13-label-2ME10295160.251.191.670.480.680.632.670.45
Orotate_C13-label-1ME10295240.391.301.340.410.540.912.420.66
Uridine_C13-label-2ME10296330.431.251.500.360.320.782.800.57
N-carbamoyl-aspartate_C13-label-3ME1029506NA0.520.540.35NA1.821.10NA
Proline_C13-label-3ME1029543NA1.110.79NANA0.781.290.78
4-Guanidinobutyrate_C13-label-1ME1029156NANA1.730.391.530.251.061.01
Homovanillic acid_C13-label-7ME1029391NANA1.020.831.300.611.170.71
Acetyl-tryptophan_C13-label-3ME1029170NANA0.91NA1.220.921.031.10
Homoarginine_C13-label-1ME1029387NANANANA1.100.871.010.96
ADP-ribose_C13-label-14ME1029189NA0.450.580.080.441.082.021.03
Asparagine_C13-label-3ME10292220.56NA0.750.440.760.801.820.79
NADH_C13-label-4ME10295010.88NANA1.17NA1.220.85NA
Acetyl CoA_C13-label-3ME10291651.150.880.671.07NA1.11NANA
CDP-choline_C13-label-4ME10292381.40NA1.201.37NA0.880.750.11
Leucine_C12 PARENTME10294270.250.560.470.850.162.610.641.83
Uridine_C12 PARENTME10296310.361.371.200.610.341.820.251.55
AMP_C12 PARENTME10292040.840.700.650.500.652.670.580.86
Fructose 6-phosphate_C13-label-5ME10292930.881.060.660.960.912.00NA0.91
Acetyl CoA_C13-label-2ME10291641.670.780.532.190.361.520.550.24
Fructose 6-phosphate_C13-label-2ME10292911.031.470.930.660.302.090.740.62
Glucose 6-phosphate_C13-label-2ME10293141.051.870.320.600.312.130.840.50
Glucose 6-phosphate_C13-label-3ME10293151.021.720.500.710.491.700.850.70
Glucose 6-phosphate_C12 PARENTME10293121.371.340.461.550.172.260.390.38
Glucose 6-phosphate_C13-label-4ME10293161.561.220.261.050.582.020.490.38
Acetyl CoA_C12 PARENTME10291621.151.480.401.220.601.620.940.52
Fructose 6-phosphate_C13-label-1ME10292901.201.060.701.340.541.720.820.57
Fructose 6-phosphate_C12 PARENTME10292891.601.620.421.480.521.440.720.33
Glucose 6-phosphate_C13-label-1ME10293131.351.830.341.170.371.880.600.34
2-methylcitrate_C13-label-1ME10291401.640.420.542.171.460.330.840.95
Glutamine_C13-label-5ME10293371.36NA0.282.111.03NA0.511.05
Carnosine_C13-label-1ME10292331.220.690.323.280.940.27NA0.81
Glucose_C13-label-1ME10293050.470.880.572.021.170.811.290.93
Creatinine_C12 PARENTME10292730.501.160.582.781.020.530.880.91
Creatinine_C13-label-1ME10292740.860.950.842.851.020.440.650.87
UDP-N-acetylglucosamine_C13-label-6ME10296143.070.800.461.660.800.420.730.58
UDP-N-acetylglucosamine_C13-label-7ME10296152.750.600.791.281.020.760.440.65
Xanthine_C12 PARENTME10296403.010.810.480.950.611.070.610.81
Glutamate_C13-label-1ME10293282.060.940.321.611.410.680.330.97
Inosine_C13-label-6ME10294042.050.930.981.020.780.600.671.44
Succinic acid_C13-label-1ME10295722.200.640.441.241.080.690.541.48
2-Deoxyuridine_C13-label-3ME1029135NA1.11NA1.100.630.93NA1.18
Succinic acid_C13-label-2ME10295730.461.630.901.490.700.830.191.68
UDP-Glucose_C13-label-8ME10296051.34NA0.560.701.30NA0.071.90
Malate_C13-label-1ME10294361.760.460.501.841.390.290.201.93
N-Acetyl-L-cysteine_C12 PARENTME10294700.991.150.541.371.250.430.311.99
2-Deoxyuridine_C13-label-1ME10291331.160.700.831.071.390.650.571.55
Galactitol_C13-label-6ME10293021.340.600.770.981.440.170.511.66
Lactate_C13-label-2ME10294250.870.971.641.071.091.140.031.09
2-Deoxyuridine_C13-label-8ME10291381.481.070.741.240.92NA0.110.95
Creatine_C13-label-2ME10292681.000.901.191.010.87NA0.811.07
Galactitol_C13-label-3ME10293010.881.421.590.861.210.350.461.40
IMP_C12 PARENTME10293951.582.390.590.730.920.600.340.85
Inositol_C13-label-4ME10294081.261.81NA0.591.300.290.490.67
AMP_C13-label-1ME10292051.561.850.370.961.630.470.340.85
Inositol_C13-label-3ME10294071.761.630.390.651.220.710.500.91
Inositol_C13-label-6ME10294091.761.850.180.621.390.590.261.06
Aspartate_C12 PARENTME10292241.691.821.161.100.210.581.000.75
N-Acetyl-Leucine_C13-label-2ME10294731.361.780.960.660.520.841.450.39
Valine_C12 PARENTME10296371.471.501.550.270.200.791.161.12
Inosine_C13-label-4ME10294031.381.820.740.280.550.891.000.95
Uric acid_2nd Peak_C12 PARENTME10296281.441.650.870.570.570.860.741.25
N-Acetyl-glutamate_C12 PARENTME10294610.462.120.740.970.461.460.470.98
Glucose_C13-label-2ME10293060.802.490.600.450.821.240.980.31
Glucose_C13-label-4ME10293081.222.160.430.690.681.140.990.58
GTP_C12 PARENTME10293701.002.350.630.850.630.860.870.52
2-Aminoadipic acid_C12 PARENTME10291290.750.770.921.240.230.631.422.14
Itaconic acid_C13-label-1ME10294210.290.701.531.630.720.421.021.83
Itaconic acid_C13-label-2ME10294220.460.711.781.340.840.331.281.35
Glyceraldehyde-3-phosphate_C13-label-3ME10293560.160.981.361.001.350.380.921.49
N-Acetyl-aspartate_C13-label-3ME10294570.300.581.090.761.021.251.081.59
Itaconic acid_C12 PARENTME10294200.660.801.260.801.120.510.881.90
N-Acetyl-aspartate_C13-label-1ME10294550.620.850.761.021.150.841.041.62
Ribose 5-phosphate_C13-label-3ME10295600.760.841.250.921.090.770.941.41
4-Guanidinobutyrate_C12 PARENTME10291550.250.301.170.701.360.731.551.81
GMP_C12 PARENTME10293640.150.691.021.031.660.511.701.18
N-carbamoyl-aspartate_C13-label-2ME10295051.051.510.961.190.871.080.100.52
Glucose 6-phosphate_C13-label-6ME10293171.171.490.301.370.921.320.320.87
UDP-N-acetylglucosamine_C13-label-8ME10296161.061.31NA1.261.010.890.080.76
2-methylcitrate_C13-label-2ME10291411.790.910.821.580.650.571.100.92
Acetyl CoA_C13-label-1ME10291632.011.130.481.810.811.010.680.39
UTP_C12 PARENTME10296362.011.220.391.220.691.050.840.82
3-Phosphoglycerate_C13-label-3ME10291541.880.740.811.011.131.120.730.55
Acetyl-tryptophan_C13-label-7ME10291721.281.100.580.841.091.370.571.08
3-Hydroxy-3-methylglutarate_C12 PARENTME10291452.031.430.311.221.560.360.690.60
Glucose_C13-label-6ME10293102.221.410.431.311.260.560.710.47
Glucose_C13-label-5ME10293091.511.340.371.121.450.730.760.82
Phosphocholine_+Hac_C12 PARENTME10295341.551.430.361.411.260.760.650.75
N-Acetyl-Leucine_C12 PARENTME10294711.761.760.291.101.050.680.940.61
N-Acetyl-Leucine_C13-label-1ME10294721.621.680.611.190.880.581.000.62
3-Phosphoglycerate_C13-label-1ME10291531.621.090.601.070.841.231.410.28
3-Phosphoglycerate_C12 PARENTME10291521.470.920.751.101.081.071.210.51
ADP_C13-label-1ME10291851.361.070.601.301.051.071.160.54
Citrate_C13-label-4ME10292511.591.310.790.910.491.341.200.54
ADP_C13-label-2ME10291861.541.490.621.150.790.981.030.49
ATP_C12 PARENTME10292291.361.590.501.380.581.011.180.57
ATP_C13-label-1ME10292301.581.560.531.330.491.041.070.54
NAD_C12 PARENTME10294881.371.530.990.761.140.581.200.57
Acetyl-tryptophan_C12 PARENTME10291681.601.350.980.971.130.740.810.55
N-Acetyl-lysine_C12 PARENTME10294771.381.400.851.031.500.670.850.46
N-Acetyl-lysine_C13-label-1ME10294781.341.360.860.951.510.770.890.33
IMP_C13-label-1ME10293961.161.530.450.880.991.321.040.52
IMP_C13-label-2ME10293971.351.380.490.870.901.341.000.60
Acetylcholine_C12 PARENTME10291661.141.690.760.761.200.980.820.57
N-Acetyl-phenylalanine_C12 PARENTME10294871.331.510.500.801.361.090.720.60
3-Methoxytyramine_C13-label-1ME10291512.081.230.671.020.460.571.760.41
Citrate_C12 PARENTME10292471.681.170.910.841.000.121.850.81
Isocitrate_C12 PARENTME10294101.681.170.910.841.000.121.850.81
Coenzyme A_C13-label-3ME10292641.510.480.870.840.840.931.780.32
ADP-ribose_C13-label-2ME10291901.150.890.411.351.360.831.750.35
ADP-ribose_C13-label-3ME10291911.220.830.441.091.250.772.000.34
Coenzyme A_C13-label-2ME10292621.090.650.431.191.170.662.090.74
Coenzyme A_C12 PARENTME10292591.360.660.481.091.370.522.070.71
Coenzyme A_C13-label-1ME10292601.300.580.660.921.250.632.020.75
ADP-ribose_C13-label-4ME10291921.160.750.401.050.760.652.130.32
Phosphoenolpyruvate_C12 PARENTME10295361.090.650.651.270.741.212.120.46
UDP-N-acetylglucosamine_C13-label-1ME10296071.350.570.651.231.840.611.530.47
UDP-N-acetylglucosamine_C12 PARENTME10296061.670.960.261.421.110.361.730.90
O-Phosphorylethanolamine_C12 PARENTME10295131.510.750.941.271.070.651.610.56
UDP-N-acetylglucosamine_C13-label-5ME10296131.330.810.751.120.940.621.780.78
UDP-N-acetylglucosamine_C13-label-3ME10296111.840.700.510.971.150.711.490.86
UDP-N-acetylglucosamine_C13-label-2ME10296101.630.740.650.901.230.611.650.79
UDP-N-acetylglucosamine_C13-label-4ME10296121.580.910.560.941.060.721.640.70
ADP-ribose_C12 PARENTME10291871.440.910.521.221.480.601.420.65
NADPH_C12 PARENTME10295021.560.710.511.261.290.571.360.88
FAD_C13-label-2ME10292841.820.830.590.941.060.611.151.01
S-Adenosyl-homocysteine_C12 PARENTME10295611.501.090.731.071.170.421.151.10
CDP-ethanolamine_C13-label-3ME10292421.680.830.560.731.430.481.430.80
Thymidine_C13-label-4ME10295881.790.780.620.831.630.571.250.66
NADH_C13-label-1ME10294971.380.680.940.921.580.481.450.69
NADH_C12 PARENTME10294961.460.850.780.931.450.421.221.01
NADH_C13-label-2ME10294991.390.750.880.991.490.361.260.99
Lactate_C13-label-3ME10294261.650.250.260.941.251.170.941.57
Pterine_C12 PARENTME10295440.540.430.480.891.471.311.441.21
Taurine_C13-label-1ME10295770.860.520.561.041.151.161.271.36
Glycerol 3-phosphate_C12 PARENTME10293571.200.730.441.441.081.021.270.95
Nicotinic acid_C13-label-1ME10295121.230.720.321.011.290.851.451.18
Adenine_C12 PARENTME10291770.871.350.091.291.460.361.451.20
GMP_C13-label-3ME10293671.091.160.441.011.150.461.791.04
N-Acetyl-glutamate_C13-label-1ME10294620.901.130.361.051.370.441.861.01
UDP-Glucose_C13-label-4ME10296011.010.670.910.961.400.501.650.80
UDP-Glucose_C13-label-5ME10296020.910.631.151.131.470.161.361.01
N-Acetyl-L-alanine_C12 PARENTME10294670.960.601.241.251.290.431.640.86
UDP-Glucose_C13-label-2ME10295990.910.751.101.331.260.441.430.93
CDP-choline_C13-label-3ME10292370.770.801.220.861.200.841.440.71
Uric acid_2nd Peak_C13-label-2ME10296300.871.061.301.021.210.671.370.61
Adenosine_C13-label-2ME10291820.990.811.000.731.430.871.170.96
Guanosine_C13-label-4ME10293800.870.760.980.771.420.581.141.11
Hypoxanthine_C13-label-1ME10293930.791.031.090.791.390.601.370.88
N-Acetylneuraminic acid_C13-label-2ME10294841.051.051.070.801.120.741.280.93
Uracil_C12 PARENTME10296240.660.901.370.841.190.371.341.40
Uracil_C13-label-1ME10296250.760.881.590.671.220.441.311.18
N-Acetyl-Glucosamine_C13-label-1ME10294600.961.061.450.841.510.451.120.85
N-Acetyl-glutamate_C13-label-4ME10294650.690.821.320.611.640.471.071.11
Methyl-histidine_C13-label-5ME10294531.521.230.580.721.420.510.731.33
Adenosine_C12 PARENTME10291801.071.010.930.711.560.570.901.23
Arginine_C12 PARENTME10292121.121.200.840.871.600.570.771.04
Creatine_C13-label-1ME10292670.921.330.830.851.380.590.661.31
Adenosine_C13-label-1ME10291810.831.421.040.551.360.760.711.15
Guanidineacetic acid_C12 PARENTME10293710.751.200.950.671.470.840.711.20
4-Pyridoxic acid_C12 PARENTME10291580.651.260.461.291.300.551.291.21
Adenine_C13-label-1ME10291780.511.470.531.281.340.471.271.12
4-Pyridoxic acid_C13-label-1ME10291590.431.361.031.281.320.481.180.95
2 6-Dihydroxypyridine_C12 PARENTME10291270.541.240.861.341.110.601.311.06
Pyrrole-2-carboxylic acid_C12 PARENTME10295500.541.240.861.341.110.601.311.06
Glucuronolactone_C13-label-1ME10293260.561.320.850.951.220.631.171.12
Guanine_C13-label-2ME10293780.501.160.821.111.120.931.211.05
Glutathione Disulfide_C13-label-2ME10293490.600.910.551.341.400.801.381.02
Glutathione Disulfide_C13-label-3ME10293500.590.900.990.921.170.831.341.16
Aspartate_C13-label-1ME10292250.601.090.970.911.280.581.491.07
Guanosine_C13-label-8ME10293810.550.970.741.001.260.711.550.96
2-Deoxyuridine_C13-label-2ME10291340.961.100.951.390.840.830.861.29
Tryptophan_C13-label-2ME10295931.170.970.951.290.920.650.811.00
Guanine_C12 PARENTME10293760.640.950.751.641.210.481.061.35
Guanidineacetic acid_C13-label-1ME10293720.690.861.081.201.390.740.811.15
Glutathione Disulfide_C12 PARENTME10293460.910.940.961.431.130.590.801.37
N-Acetylneuraminic acid_C12 PARENTME10294820.930.960.901.401.380.500.841.23
N-Acetylneuraminic acid_C13-label-4ME10294861.230.930.900.831.101.070.960.95
Inositol_C12 PARENTME10294051.111.150.760.951.050.880.951.15
Nicotinic acid_C12 PARENTME10295111.051.010.750.921.220.781.081.19
2 4-Dihydroxyacetophenone_C12 PARENTME10291231.061.100.780.741.280.751.011.23
Mandelic acid_C12 PARENTME10294421.061.100.780.741.280.751.011.23
Glycerol 3-phosphate_C13-label-3ME10293601.371.200.551.061.170.990.730.96
N-Acetylneuraminic acid_C13-label-3ME10294851.250.940.510.951.460.810.911.07
NADH_C13-label-3ME10295001.100.870.870.931.511.230.890.80
N-acetyl-glutamine_C12 PARENTME10294660.861.230.521.191.201.051.070.82
Taurine_C12 PARENTME10295760.930.930.711.121.091.051.081.08
Acetyl-tryptophan_C13-label-6ME10291710.891.050.841.041.261.051.060.78
N-Acetyl-methionine_C12 PARENTME10294791.140.870.841.261.240.941.040.76
Thiamine_C13-label-2ME10295801.120.950.711.221.121.130.920.79
N-Acetyl-aspartate_C13-label-2ME10294561.080.631.140.821.210.491.211.47
CDP-choline_C13-label-1ME10292351.080.750.721.191.400.641.041.20
CDP-ethanolamine_C12 PARENTME10292391.170.650.830.981.440.501.321.25
CDP-ethanolamine_C13-label-1ME10292400.960.910.690.901.460.531.201.30
3-Hydroxybutyrate_C13-label-2ME10291490.701.211.010.901.190.441.031.50
5-Aminolevulinate_C12 PARENTME10291600.891.120.930.771.280.521.161.32
trans-4-Hydroxy-L-proline_C12 PARENTME10295890.891.120.930.771.280.521.161.32
Glutathione Disulfide_C13-label-1ME10293470.830.890.941.101.390.510.991.39
Glucuronic acid_C12 PARENTME10293181.010.900.861.061.110.491.141.52
Glycine_C12 PARENTME10293611.140.900.790.981.140.640.991.47
Glucuronolactone_C12 PARENTME10293250.971.220.661.531.330.520.841.07
CMP_C12 PARENTME10292551.250.970.591.431.390.530.951.10
Leucine_C13-label-1ME10294281.071.070.461.541.460.471.061.04
Ornithine_C12 PARENTME10295201.041.220.631.121.470.390.851.35
Isovalerylglycine_C12 PARENTME10294161.021.320.731.081.360.481.001.07
N-Acetylneuraminic acid_C13-label-1ME10294831.091.180.741.091.270.510.931.26
5-Aminolevulinate_C13-label-1ME10291611.161.160.471.161.350.441.171.20
trans-4-Hydroxy-L-proline_C13-label-1ME10295901.161.160.471.161.350.441.171.20
N-Acetyl-aspartate_C12 PARENTME10294541.021.180.551.121.500.601.210.89
UMP_C13-label-1ME10296191.001.270.501.251.330.591.091.03
Galactitol_C12 PARENTME10292991.021.070.870.971.270.541.520.86
GMP_C13-label-4ME10293681.051.170.680.801.210.431.490.92
Asparagine_C13-label-1ME10292210.941.160.820.941.230.791.280.78
UMP_C13-label-2ME10296201.041.030.761.001.400.631.280.87
FAD_C13-label-1ME10292821.200.960.751.151.230.681.460.69
Glutamine_C13-label-3ME10293350.910.920.711.121.160.691.650.94
Allantoin_C13-label-2ME10291991.220.960.871.071.030.701.081.06
Uric acid_2nd Peak_C13-label-1ME10296291.120.980.711.201.200.781.170.96
Glutamine_C12 PARENTME10293320.941.111.011.211.180.681.060.90
GMP_C13-label-2ME10293661.001.150.811.221.090.521.161.09
NAD_C13-label-2ME10294921.071.220.761.151.190.621.150.95
CDP-ethanolamine_C13-label-2ME10292410.980.920.861.321.300.391.201.10
S-Adenosyl-homocysteine_C13-label-2ME10295630.870.990.911.421.270.501.101.02
CDP-choline_C13-label-2ME10292360.870.910.971.121.450.561.180.95
Guanosine_C13-label-2ME10293830.930.950.801.201.550.581.061.00
2 6-Dihydroxypyridine_C13-label-1ME10291280.780.910.861.311.380.601.270.96
Pyrrole-2-carboxylic acid_C13-label-1ME10295510.780.910.861.311.380.601.280.96
CDP-choline_C12 PARENTME10292340.680.870.741.211.500.711.221.04
Proline_C13-label-1ME10295410.760.960.771.141.530.531.241.11
Lysine_C12 PARENTME10294321.071.450.801.440.690.890.900.89
Pterine_C13-label-1ME10295451.091.311.071.360.980.800.790.71
ATP_C13-label-2ME10292311.271.380.591.290.701.190.920.60
Serine_C13-label-3ME10295671.111.150.701.280.881.000.880.67
IMP_C13-label-3ME10293981.061.560.750.980.881.001.030.65
S-Adenosyl-homocysteine_C13-label-3ME10295641.211.181.001.180.780.901.190.74
Aconitate_C12 PARENTME10291731.151.310.771.240.760.831.340.74
Ribose 5-phosphate_C13-label-1ME10295581.151.350.831.220.820.871.100.74
Arginino-succinate_C13-label-2ME10292170.671.280.971.210.951.000.830.74
Fructose 6-phosphate_C13-label-3ME10292920.741.240.861.130.631.251.090.99
Levulinic Acid_C12 PARENTME10294300.571.300.781.320.790.911.261.07
Alanine_C13-label-3ME10291960.811.780.811.180.820.661.000.96
Glucuronic acid_C13-label-5ME10293230.921.900.611.040.540.820.921.12
Suberic acid_C12 PARENTME10295690.811.180.671.161.200.800.911.23
Suberic acid_C13-label-1ME10295700.711.470.610.891.090.790.891.39
Glucuronic acid_C13-label-3ME10293210.681.650.800.740.810.701.151.29
Citramalate_C13-label-3ME10292460.891.350.800.990.700.791.041.39
Fumarate_C12 PARENTME10292951.131.540.600.960.840.730.921.28
3-Hydroxybutyrate_C13-label-1ME10291480.941.520.721.010.750.501.291.34
Anserine_C12 PARENTME10292100.701.490.681.300.900.561.181.18
Glutathione_C12 PARENTME10293401.041.281.260.981.100.680.800.92
Methyl-histidine_C13-label-1ME10294520.911.231.340.800.780.741.111.12
Methyl-histidine_C12 PARENTME10294510.941.411.120.840.920.631.031.12
Ophthalmate_C13-label-9ME10295190.891.400.860.980.890.701.141.15
Acetylcholine_C13-label-1ME10291670.981.430.670.571.060.951.140.99
Inositol_C13-label-1ME10294061.271.420.610.641.140.830.941.09
NAD_C13-label-5ME10294951.181.610.750.570.930.691.071.01
AMP_C13-label-5ME10292091.221.400.710.761.350.491.120.89
Tryptophan_C13-label-1ME10295921.191.460.650.761.460.561.070.86
Acetyl-tryptophan_C13-label-1ME10291691.041.200.770.891.520.780.970.80
Pipecolate_C12 PARENTME10295390.901.280.740.901.340.671.081.05
2 4-Dihydroxyacetophenone_C13-label-1ME10291241.091.370.860.871.120.671.080.97
Mandelic acid_C13-label-1ME10294431.091.370.860.871.120.671.080.97
Allantoin_C12 PARENTME10291971.101.510.750.871.210.850.870.81
Allantoin_C13-label-1ME10291980.981.360.801.011.220.760.970.90
Thiamine_C12 PARENTME10295781.091.340.730.991.220.800.960.86
NAD_C13-label-1ME10294891.261.490.671.110.980.471.111.06
Methionine sulfoxide_C12 PARENTME10294481.231.560.811.091.090.431.010.93
Thiamine pyrophosphate_C12 PARENTME10295821.241.570.850.961.130.550.850.91
Citramalate_C13-label-1ME10292441.121.410.881.011.230.790.650.91
NAD_C13-label-4ME10294941.171.420.830.920.990.740.781.03
Thiamine pyrophosphate_C13-label-1ME10295831.401.520.770.790.960.760.770.98
Glutathione_C13-label-4ME10293440.771.440.660.830.910.891.560.84
10-Hydroxydecanoic acid_C12 PARENTME10291200.771.260.520.960.990.901.351.17
Glyceraldehyde-3-phosphate_C13-label-1ME10293550.651.260.870.910.890.821.431.07
Glycine_C13-label-1ME10293621.101.430.801.110.980.651.100.87
Isovalerylglycine_C13-label-1ME10294171.101.600.691.040.830.671.190.94
Galactitol_C13-label-1ME10293000.851.600.820.881.060.531.280.98
Inosine_C13-label-2ME10294011.011.640.880.980.910.601.270.78
2 4-Dihydroxyacetophenone_C13-label-3ME10291260.941.460.811.030.980.681.360.80
Mandelic acid_C13-label-3ME10294450.921.580.790.920.950.711.290.85
AMP_C13-label-3ME10292070.731.220.861.041.220.431.441.04
GMP_C13-label-1ME10293650.871.200.751.051.260.401.591.00
AMP_C13-label-4ME10292081.031.370.640.981.060.471.371.04
AMP_C13-label-2ME10292060.841.350.811.041.130.521.361.01
Glucuronic acid_C13-label-1ME10293190.791.370.870.981.040.541.301.14
Levulinic Acid_C13-label-1ME10294310.981.230.711.100.870.591.571.08
Glycerol 3-phosphate_C13-label-1ME10293581.011.190.541.241.010.661.421.04
Uridine_C13-label-1ME10296320.941.170.601.271.100.591.311.11
Glyceraldehyde-3-phosphate_C12 PARENTME10293540.781.230.781.231.020.841.280.85
Glutamine_C13-label-4ME10293361.031.150.721.030.920.781.490.88
10-Hydroxydecanoic acid_C13-label-1ME10291210.971.290.781.091.000.721.310.90
Inosine_C13-label-1ME10294001.051.370.741.041.040.691.340.81
ADP_C12 PARENTME10291841.251.630.511.081.300.381.370.65
Methionine_C12 PARENTME10294461.191.430.581.211.350.441.200.68
Histidine_C12 PARENTME10293841.141.390.661.381.150.581.300.60
Nicotinamide_C12 PARENTME10295071.031.580.691.331.060.581.200.68
Histidine_C13-label-1ME10293850.931.810.741.081.160.581.070.67
Threonine_C12 PARENTME10295841.021.590.561.211.240.531.090.84
GDP_C12 PARENTME10293031.561.280.521.131.140.721.200.65
FAD_C12 PARENTME10292811.351.320.630.761.090.671.590.66
NAD_C13-label-3ME10294931.081.420.500.961.140.761.380.79
Anserine_C13-label-1ME10292111.370.720.311.480.760.781.031.60
Citramalate_C13-label-2ME10292450.881.320.801.530.490.641.191.32
Malonic acid_C13-label-1ME10294410.921.120.521.670.780.840.971.29
Creatine_C12 PARENTME10292661.321.410.691.381.080.490.751.07
Tyrosine_C13-label-2ME10295960.991.470.781.441.270.420.501.11
Fructose 6-phosphate_C13-label-6ME10292941.201.190.781.361.080.950.371.04
Malonic acid_C12 PARENTME10294401.191.420.561.660.940.860.550.95
Phosphocholine_+Hac_C13-label-1ME10295351.291.310.831.621.160.620.530.80
Creatine phosphate_C12 PARENTME10292691.551.490.611.521.270.460.280.96
Carnosine_C12 PARENTME10292321.191.180.501.871.250.500.521.15
Glucuronic acid_C13-label-6ME10293241.521.160.411.921.180.410.491.07
N-Acetyl-L-alanine_C13-label-1ME10294680.911.141.141.371.370.491.200.58
Nicotinamide_C13-label-1ME10295080.721.400.551.611.340.570.950.74
CMP_C13-label-1ME10292560.701.420.811.391.140.610.861.02
Asparagine_C12 PARENTME10292200.831.350.931.581.300.640.820.68
CMP_C13-label-2ME10292570.921.530.951.291.180.560.860.66
Pyruvate_C13-label-3ME10295551.230.920.712.310.930.420.950.97
Pyruvate_C13-label-1ME10295530.881.430.582.180.830.720.840.80
Homovanillic acid_C13-label-1ME10293891.241.030.601.921.120.700.840.84
Homovanillic acid_C12 PARENTME10293880.841.210.711.851.110.820.780.83
Thiamine_C13-label-1ME10295791.061.250.701.701.190.830.890.51
UDP-Glucose_C13-label-6ME10296031.480.560.621.482.260.360.660.47
Creatine phosphate_C13-label-1ME10292701.090.560.711.471.650.420.301.24
Thymidine_C13-label-1ME10295871.020.580.871.681.510.520.551.24
2-methylcitrate_C12 PARENTME10291391.500.760.481.711.690.300.761.14
2-Deoxyuridine_C12 PARENTME10291321.070.940.691.761.670.430.780.91
Thymidine_C12 PARENTME10295860.990.910.621.841.660.520.561.08
S-Adenosyl-homocysteine_C13-label-1ME10295621.310.840.781.521.530.590.930.70
UDP-Glucose_C13-label-7ME10296041.200.520.741.321.540.430.700.85
Ophthalmate_C12 PARENTME10295141.200.790.851.531.430.510.821.10
3-Hydroxy-3-methylglutarate_C13-label-1ME10291461.300.780.691.261.780.510.841.00
Guanosine_C12 PARENTME10293791.180.880.781.321.670.430.821.09
Cytidine_C13-label-1ME10292760.830.880.781.161.830.290.831.29
Valine_C13-label-2ME10296390.980.720.871.291.560.320.751.22
Phenylalanine_C13-label-2ME10295330.691.200.801.341.610.460.721.09
Arginino-succinate_C12 PARENTME10292150.970.870.881.391.730.580.810.86
Tryptophan_C12 PARENTME10295910.871.070.611.431.730.520.930.93
Tyrosine_C13-label-1ME10295950.951.100.661.301.770.430.980.90
Tyrosine_C12 PARENTME10295941.210.390.711.351.950.580.861.11
Methionine_C13-label-1ME10294470.780.640.731.601.780.321.121.21
UDP-Glucose_C13-label-1ME10295980.910.600.771.571.800.441.080.94
Lysine_C13-label-1ME10294330.831.270.340.882.430.580.820.64
Serine_C12 PARENTME10295650.881.510.550.952.120.530.680.68
Phenylalanine_C12 PARENTME10295311.181.130.591.562.030.590.790.31
Dimethyl-arginine_C13-label-1ME10292781.121.000.661.171.900.470.630.62
Arginine_C13-label-1ME10292131.011.240.941.201.670.580.580.78
Lysine_C13-label-2ME10294340.801.190.900.981.920.630.700.65
Dimethyl-arginine_C12 PARENTME10292770.351.210.751.002.000.560.960.90
Isoleucine_C12 PARENTME10294140.431.050.671.311.710.501.071.22
N-acetyl-L-ornithine_C12 PARENTME10294750.910.940.870.802.180.450.621.15
Cytidine_C12 PARENTME10292750.930.940.641.152.130.340.671.13
Valine_C13-label-1ME10296380.761.230.691.202.060.250.691.12
Glutaric acid_C13-label-1ME10293390.780.880.420.941.980.610.921.36
2-Oxoadipic acid_C12 PARENTME10291420.550.780.651.022.110.640.951.17
2-Oxoadipic acid_C13-label-1ME10291430.840.800.670.782.110.690.931.06
Phenylalanine_C13-label-1ME10295320.891.160.661.011.770.630.920.92
Threonine_C13-label-1ME10295850.891.230.540.931.800.440.981.06
Glutaric acid_C12 PARENTME10293380.701.110.321.062.170.610.911.00
Leucine_C13-label-2ME10294290.741.090.481.172.030.410.920.98
ADP-ribose_C13-label-1ME10291880.750.870.611.181.740.711.550.59
N-Acetyl-Glucosamine_C12 PARENTME10294590.891.080.880.731.750.401.241.02
UDP-Glucose_C13-label-3ME10296000.890.690.930.981.910.361.390.85
Guanosine_C13-label-1ME10293820.920.810.871.192.030.441.140.69
2 4-Dihydroxyacetophenone_C13-label-2ME10291250.790.880.901.241.880.411.220.84
Mandelic acid_C13-label-2ME10294440.790.880.901.241.880.411.220.84
UDP-Glucose_C12 PARENTME10295971.290.900.910.862.300.530.880.41
Arginino-succinate_C13-label-1ME10292160.880.730.870.752.150.690.990.66
Serine_C13-label-1ME10295660.940.870.670.552.110.671.340.75
3-Aminoisobutyrate_C12 PARENTME10291440.411.080.810.621.880.811.630.58
N-Acetyl-glutamate_C13-label-3ME10294640.621.030.940.421.620.771.490.90
CMP_C13-label-3ME1029258NA1.031.38NA0.910.890.971.09
4-Guanidinobutyrate_C13-label-3ME1029157NA1.101.150.811.280.421.180.64
Adenine_C13-label-2ME1029179NA1.251.230.730.770.331.410.91
Proline_C12 PARENTME10295400.991.171.041.430.390.811.510.89
Aconitate_C13-label-1ME10291740.981.510.831.210.621.001.600.38
Pyruvate_C13-label-2ME10295540.831.460.821.580.560.671.610.48
Lactate_C12 PARENTME10294230.811.571.451.250.640.810.980.60
Erythritol_C12 PARENTME10292790.671.481.161.350.680.581.390.86
Pyridoxal_C13-label-1ME10295490.571.561.130.960.870.561.311.05
Methylglutaric acid_C12 PARENTME10294490.591.990.450.911.360.520.901.12
Methylglutaric acid_C13-label-1ME10294500.591.940.490.831.180.571.031.20
Glutathione_C13-label-2ME10293420.381.690.701.271.091.111.010.59
N-Acetyl-L-alanine_C13-label-3ME10294690.711.850.911.140.851.171.020.67
Serine_C13-label-2ME10295680.571.960.560.611.460.751.180.68
Glucose_C13-label-3ME10293070.622.020.500.810.991.001.140.70
Ribose 5-phosphate_C12 PARENTME10295570.711.720.620.891.331.030.940.58
Hypoxanthine_C13-label-2ME10293940.851.410.990.481.480.581.340.72
Xanthine_C13-label-1ME10296410.691.620.860.921.430.451.120.88
Hypoxanthine_C12 PARENTME10293920.551.460.580.741.110.601.781.09
Inosine_C13-label-3ME10294020.921.541.050.840.780.531.570.79
Isovalerylglycine_C13-label-2ME10294180.971.281.020.670.860.911.610.67
UMP_C13-label-3ME10296210.701.251.020.641.010.851.670.78
Xanthine_C13-label-2ME10296420.401.650.900.761.200.611.350.91
Malate_C13-label-4ME10294390.591.560.980.581.130.761.440.81
Pyruvate_C12 PARENTME10295520.601.640.870.660.960.861.520.75
Fumarate_C13-label-3ME10292980.431.391.250.570.760.981.680.78
Aspartate_C13-label-2ME10292260.401.361.200.651.040.771.570.87
Succinic acid_C13-label-3ME10295740.531.451.350.610.920.711.380.95
Aconitate_C13-label-2ME10291750.611.640.960.780.491.261.820.37
Glutathione_C13-label-5ME10293450.461.880.670.310.571.141.530.58
Glycerol 3-phosphate_C13-label-2ME10293590.761.770.700.400.761.071.730.62
Malate_C13-label-3ME10294380.621.630.610.440.880.871.840.91
Ribose 5-phosphate_C13-label-2ME10295590.691.500.730.540.611.071.570.97
Glycine_C13-label-2ME10293630.951.800.380.720.900.801.640.72
Glucuronic acid_C13-label-4ME10293220.831.930.680.460.910.731.470.85
Pyridoxal_C12 PARENTME10295480.801.900.870.350.900.571.620.89
Alanine_C13-label-2ME10291950.452.290.910.600.520.831.690.55
Glutathione_C13-label-3ME10293430.381.900.910.950.700.841.260.93
Malate_C13-label-2ME10294370.621.900.641.140.550.721.650.80
Aconitate_C13-label-3ME10291760.761.880.810.820.540.961.550.60
Alanine_C13-label-1ME10291940.711.881.030.930.700.701.440.62
Isovalerylglycine_C13-label-3ME10294190.711.980.980.590.640.771.480.66
Phosphoenolpyruvate_C13-label-3ME10295380.311.070.740.531.131.751.150.70
Pterine_C13-label-2ME10295460.900.941.300.970.981.860.930.49
Citramalate_C12 PARENTME10292431.180.951.470.560.521.391.290.62
Orotate_C13-label-3ME10295261.070.681.850.580.341.001.730.42
Fumarate_C13-label-1ME10292960.621.261.420.100.860.991.870.72
Fumarate_C13-label-2ME10292970.451.491.410.650.491.361.410.61
Succinic acid_C13-label-4ME10295750.411.341.400.630.721.411.680.39
Proline_C13-label-2ME10295420.451.091.890.580.571.121.660.54
Glutathione Disulfide_C13-label-4ME10293510.431.061.421.030.831.011.730.55
Orotate_C12 PARENTME10295230.591.171.610.670.860.911.650.61
UMP_C13-label-5ME10296230.631.211.480.600.841.171.550.56
O-Succinyl-L-homoserine_C12 PARENTME10295270.530.811.751.020.760.821.740.68
O-Succinyl-L-homoserine_C13-label-1ME10295280.360.681.900.980.630.871.880.69
N-carbamoyl-aspartate_C13-label-1ME10295040.410.651.530.450.711.372.230.57
Uridine_C13-label-3ME10296340.371.021.400.650.690.922.140.80
Citrate_C13-label-2ME10292491.281.030.860.710.741.151.780.53
Isocitrate_C13-label-2ME10294121.281.030.860.710.741.151.780.53
Citrate_C13-label-3ME10292501.041.010.911.040.741.471.480.31
Isocitrate_C13-label-3ME10294131.041.010.911.040.741.471.480.31
Alpha-Ketoglutarate_C12 PARENTME10292000.840.910.971.160.730.961.730.79
Citrate_C13-label-1ME10292480.810.960.851.050.951.241.480.63
Isocitrate_C13-label-1ME10294110.810.960.851.050.951.241.480.63
Glutamate_C12 PARENTME10293270.540.711.270.690.991.521.140.90
Succinic acid_C12 PARENTME10295710.700.991.680.920.920.901.130.79
Glutathione Disulfide_C13-label-5ME10293520.751.081.350.701.051.151.190.66
Malate_C12 PARENTME10294350.641.121.180.771.061.111.260.77
Asparagine_C13-label-2ME10292230.570.830.870.531.221.221.960.56
Alpha-Ketoglutarate_C13-label-1ME10292010.770.711.070.880.681.211.830.84
N-carbamoyl-aspartate_C12 PARENTME10295030.560.701.270.790.911.181.860.70
Glutamate_C13-label-4ME10293310.600.921.110.750.910.761.651.15
N-Acetyl-glutamate_C13-label-2ME10294630.910.861.140.760.860.901.600.99
Aspartate_C13-label-3ME10292270.581.081.260.831.130.661.620.84
Aspartate_C13-label-4ME10292280.481.001.130.621.131.011.660.80
Glucuronic acid_C13-label-2ME10293200.600.941.030.811.010.841.940.80

Factors:

F1Diet:Control | | Genotype:KP
F2Diet:Control | | Genotype:PGKP
F3Diet:Control | | Genotype:PolG
F4Diet:Control | | Genotype:wt
F5Diet:Ser/Gly free | | Genotype:KP
F6Diet:Ser/Gly free | | Genotype:PGKP
F7Diet:Ser/Gly free | | Genotype:PolG
F8Diet:Ser/Gly free | | Genotype:wt
Data matrix
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