Clustering data with hclust algorithm for (Study ST003886)

HILIC NEGATIVE ION MODE (Analysis AN006383)
MetaboliteStructureF1F2F3F4
Glucose_C13-label-1ME10268850.260.332.470.33
Glycine_C13-label-1ME10269092.420.611.140.19
Lactate_C12 PARENTME10269532.040.431.110.61
Serine_C13-label-1ME10268993.300.510.820.10
Serine_C13-label-2ME10269003.420.700.660.06
Glycine_C13-label-2ME10269102.671.330.640.15
Serine_C13-label-3ME10268982.961.600.330.13
NAD_C13-label-15ME10267860.462.100.120.24
Asparagine_C13-label-4ME10268830.662.430.270.19
ATP_C13-label-10ME10269750.692.600.240.18
ATP_C13-label-8ME10269821.502.950.220.30
Glutathione_C13-label-6ME10268631.172.760.520.32
NAD_C13-label-12ME10267831.092.850.500.34
AMP_C13-label-8ME10270441.273.330.180.26
NAD_C13-label-13ME10267841.063.370.170.26
AMP_C13-label-9ME10270450.703.290.330.18
ATP_C13-label-9ME10269830.903.660.120.23
NAD_C13-label-14ME10267850.523.580.050.14
NADH_C13-label-14ME1026803NA1.110.580.46
Orotate_C13-label-5ME1027056NA1.110.941.07
NAD_C13-label-16ME10267870.241.17NANA
Acetyl CoA_C13-label-4ME10267610.131.381.11NA
Acetyl CoA_C13-label-9ME10267650.851.200.55NA
Glutathione Disulfide_C13-label-9ME10268520.541.320.80NA
6-Phosphogluconate_C13-label-2ME10269850.911.13NA0.96
Alpha-Ketoglutarate_C13-label-3ME10268921.442.260.600.39
N-carbamoyl-aspartate_C13-label-1ME10267751.412.380.590.34
N-carbamoyl-aspartate_C13-label-2ME10267761.442.540.500.23
N-carbamoyl-aspartate_C13-label-3ME10267771.532.420.560.27
AMP_C13-label-7ME10270431.522.500.380.41
Citrulline_C13-label-1ME10268961.572.250.410.50
Glutathione_C13-label-7ME10268641.602.300.510.35
Asparagine_C13-label-3ME10268821.271.920.310.28
Tyrosine_C13-label-6ME10269471.142.160.530.68
Citrulline_C12 PARENTME10268951.342.240.490.56
Asparagine_C13-label-2ME10268811.322.150.490.62
NAD_C13-label-1ME10267801.342.150.550.56
Creatine Phosphate_C13-label-3ME10267731.042.100.760.55
Citrate_C13-label-3ME10267441.271.930.760.52
Citrate_C13-label-4ME10267451.171.990.800.50
Malate_C13-label-4ME10270721.272.110.740.44
Methionine_C13-label-4ME10269521.192.110.640.58
N-carbamoyl-aspartate_C12 PARENTME10267741.252.140.650.52
Isocitrate_C13-label-3ME10267501.501.980.740.37
Alpha-Ketoglutarate_C13-label-2ME10268911.422.080.700.40
Isocitrate_C13-label-5ME10267521.392.060.770.36
Citrate_C13-label-6ME10267471.411.900.700.49
Asparagine_C13-label-1ME10268801.381.980.610.57
Alanine_C13-label-1ME10269201.341.960.630.59
Creatine_C12 PARENTME10269111.361.950.630.59
Glutathione_C13-label-8ME10268651.161.400.740.32
Glutamine_C13-label-5ME10268421.491.210.640.62
Uridine_C13-label-7ME10270641.491.310.690.54
N-carbamoyl-aspartate_C13-label-4ME10267781.321.360.610.24
UDP-N-acetylglucosamine_C13-label-17ME10268201.551.320.640.30
UMP_C13-label-8ME10270301.461.330.690.35
Acetyl CoA_C13-label-8ME10267641.520.940.560.49
3-Phosphoglycerate_C13-label-1ME10269941.601.080.820.42
AMP_C13-label-6ME10270421.861.150.850.54
Isocitrate_C13-label-2ME10267491.661.280.910.52
UDP-Glucose_C13-label-9ME10270211.701.180.820.65
Phosphoenolpyruvate_C13-label-1ME10269981.921.300.620.22
ATP_C13-label-6ME10269802.031.280.650.57
Pyruvate_C13-label-2ME10269362.181.450.640.38
Glutamate_C13-label-4ME10268351.811.970.550.39
Pyruvate_C13-label-3ME10269371.821.920.550.40
ATP_C13-label-7ME10269811.762.060.540.37
UDP-N-acetylglucosamine_C13-label-13ME10268161.682.030.560.42
UDP-N-acetylglucosamine_C13-label-16ME10268191.821.820.840.18
Alpha-Ketoglutarate_C13-label-4ME10268931.861.960.680.23
Alpha-Ketoglutarate_C13-label-5ME10268941.821.860.690.30
Succinate_C13-label-3ME10269041.761.890.770.24
UDP-N-acetylglucosamine_C13-label-15ME10268181.801.900.760.22
Glutathione_C13-label-5ME10268621.621.920.660.41
UDP-N-acetylglucosamine_C13-label-12ME10268151.651.880.720.37
UDP-Glucose_C13-label-12ME10270111.611.800.790.36
UDP-N-acetylglucosamine_C13-label-14ME10268171.661.780.840.30
Alanine_C13-label-2ME10269211.791.400.590.69
Glutamine_C13-label-2ME10268391.661.710.520.66
Citrate_C13-label-5ME10267461.551.580.840.48
UDP-N-acetylglucosamine_C13-label-11ME10268141.421.680.710.63
UDP-N-acetylglucosamine_C13-label-7ME10268261.531.690.690.57
Proline_C13-label-3ME10269281.521.610.750.57
Proline_C13-label-4ME10269291.531.640.740.56
UDP-Glucose_C13-label-8ME10270201.541.630.700.59
UDP-N-acetylglucosamine_C13-label-4ME10268231.511.630.680.63
Glutamine_C13-label-3ME10268401.651.480.650.53
Glutamine_C13-label-4ME10268411.661.490.660.49
NAD_C13-label-11ME10267821.651.650.690.53
Creatine Phosphate_C13-label-1ME10267711.671.700.720.46
UDP-N-acetylglucosamine_C13-label-10ME10268131.711.670.680.49
UDP-Glucose_C13-label-14ME10270131.871.500.860.32
Isocitrate_C13-label-6ME10267531.791.690.800.31
Proline_C13-label-5ME10269301.721.590.790.39
Pyruvate_C12 PARENTME10269341.921.540.580.54
Pyruvate_C13-label-1ME10269351.911.740.580.42
Alanine_C13-label-3ME10269220.952.030.440.97
Histidine_C12 PARENTME10268290.841.990.570.93
Histidine_C13-label-1ME10268300.771.960.531.04
Fructose 1 6-bisphosphate_C13-label-6ME10269910.702.110.650.86
Sorbitol_C13-label-5ME10269420.812.290.600.74
Methionine_C13-label-3ME10269510.581.490.700.72
NADH_C13-label-13ME10268020.531.700.560.56
Fructose 1 6-bisphosphate_C13-label-5ME10269900.561.730.771.01
Malate_C13-label-2ME10270700.781.810.730.92
NADH_C13-label-12ME10268010.611.860.730.87
Fructose 1 6-bisphosphate_C13-label-4ME10269890.851.600.770.90
Phenylalanine_C12 PARENTME10269570.871.710.651.01
Methionine_C12 PARENTME10269480.781.620.711.05
Tryptophan_C13-label-1ME10269630.811.670.701.01
Tyrosine_C13-label-1ME10269450.761.750.531.16
Phenylalanine_C13-label-2ME10269590.751.470.641.08
Leucine_C13-label-1ME10270470.861.500.611.18
Threonine_C12 PARENTME10269060.851.510.611.17
Methionine_C13-label-1ME10269490.851.630.591.12
Isoleucine_C13-label-1ME10270500.771.570.641.16
Tryptophan_C12 PARENTME10269620.721.600.611.20
Tyrosine_C13-label-2ME10269460.571.630.601.22
Valine_C13-label-1ME10269320.621.340.701.32
Phenylalanine_C13-label-1ME10269580.571.460.731.25
Valine_C12 PARENTME10269310.671.490.711.19
Glutathione_C13-label-9ME10268660.941.700.850.38
Glutathione Disulfide_C13-label-6ME10268491.001.960.760.28
Creatine_C13-label-2ME10269130.881.340.640.79
Glutathione Disulfide_C13-label-8ME10268510.831.360.620.64
Ornithine_C12 PARENTME10267540.971.510.910.80
Succinate_C12 PARENTME10269010.941.500.970.77
Lactate_C13-label-2ME10269551.051.370.910.83
3-Phosphoglycerate_C13-label-3ME10269961.051.480.930.76
UDP-N-acetylglucosamine_C13-label-2ME10268211.111.450.900.76
Xanthine_C13-label-1ME10269661.081.410.930.77
Glucose_C13-label-6ME10268880.941.420.910.87
UDP-N-acetylglucosamine_C12 PARENTME10268110.921.380.870.95
Isoleucine_C12 PARENTME10270491.011.260.930.90
AMP_C13-label-1ME10270371.101.320.850.90
AMP_C12 PARENTME10270361.021.330.850.94
Citrate_C12 PARENTME10267411.061.380.830.91
6-Phosphogluconate_C13-label-6ME10269871.201.240.890.85
Uridine_C13-label-5ME10270621.231.330.780.89
3-Phosphoglycerate_C12 PARENTME10269931.301.380.790.81
Taurine_C13-label-1ME10269171.311.350.770.83
Arginine_C12 PARENTME10267561.181.550.740.82
Glutathione_C13-label-1ME10268581.121.430.690.98
Sorbitol_C13-label-4ME10269411.141.800.550.41
Acetyl CoA_C13-label-2ME10267601.051.490.680.60
Glutathione Disulfide_C13-label-7ME10268501.021.660.550.55
Glucose_C13-label-5ME10268870.951.710.790.82
UDP-N-acetylglucosamine_C13-label-5ME10268240.951.790.760.79
Thiamine_C12 PARENTME10269231.111.720.580.92
Threonine_C13-label-1ME10269070.951.790.630.92
Hypotaurine_C13-label-1ME10269150.941.761.000.58
Inositol_C13-label-1ME10268741.061.591.020.60
UMP_C13-label-5ME10270271.071.640.920.65
UMP_C13-label-9ME10270311.051.570.920.63
Citrate_C13-label-2ME10267431.131.780.810.64
Malate_C13-label-3ME10270711.111.760.860.62
Alpha-Ketoglutarate_C13-label-1ME10268901.121.620.840.72
Phosphoenolpyruvate_C13-label-3ME10269991.081.690.800.73
Sorbitol_C12 PARENTME10269381.441.470.600.85
Proline_C13-label-1ME10269261.221.890.570.77
NAD_C12 PARENTME10267791.341.740.640.71
Proline_C13-label-2ME10269271.401.670.630.73
Orotate_C13-label-3ME10270541.051.451.240.33
Uracil_C13-label-2ME10269721.121.451.210.35
UMP_C13-label-4ME10270261.261.531.020.47
UMP_C13-label-6ME10270281.171.561.050.41
Aconitate_C13-label-4ME10270041.341.780.900.42
UMP_C13-label-7ME10270291.311.860.920.38
Aconitate_C13-label-5ME10270051.201.730.920.52
Glutathione Disulfide_C13-label-4ME10268471.241.800.890.48
Aconitate_C13-label-2ME10270021.151.820.940.48
Creatine_C13-label-1ME10269121.201.850.910.46
Succinate_C13-label-2ME10269031.431.590.810.33
UDP-N-acetylglucosamine_C13-label-9ME10268281.501.750.770.48
Aconitate_C13-label-3ME10270031.441.780.840.42
Isocitrate_C13-label-4ME10267511.461.710.900.40
UDP-Glucose_C13-label-11ME10270101.461.270.930.63
Uracil_C13-label-1ME10269711.311.341.080.53
NAD_C13-label-9ME10267961.361.370.970.59
Acetyl CoA_C13-label-7ME10267631.361.390.990.49
UDP-N-acetylglucosamine_C13-label-8ME10268271.381.410.980.54
UDP-Glucose_C13-label-13ME10270121.481.411.020.45
Glutamate_C13-label-5ME10268361.451.251.060.52
Succinate_C13-label-1ME10269021.441.281.070.50
NAD_C13-label-4ME10267911.331.380.840.73
UDP-Glucose_C13-label-2ME10270141.381.360.850.67
UDP-Glucose_C13-label-4ME10270161.451.460.800.65
NAD_C13-label-2ME10267891.421.450.770.71
NAD_C13-label-6ME10267931.361.450.810.71
Creatinine_C13-label-1ME10267681.371.560.800.64
Phosphoenolpyruvate_C12 PARENTME10269971.311.550.810.68
UDP-Glucose_C13-label-7ME10270191.241.460.840.74
UDP-N-acetylglucosamine_C13-label-3ME10268221.231.540.820.72
Uracil_C12 PARENTME10269701.231.461.000.58
3-Phosphoglycerate_C13-label-2ME10269951.291.490.900.65
Sorbitol_C13-label-1ME10269391.191.520.930.64
Creatinine_C12 PARENTME10267671.341.540.920.55
UDP-Glucose_C13-label-10ME10270091.351.580.910.53
Hypotaurine_C12 PARENTME10269141.281.610.880.59
Isocitrate_C12 PARENTME10267481.241.650.850.62
Aconitate_C13-label-1ME10270011.311.670.820.59
Glutamate_C13-label-3ME10268341.271.720.780.62
Sorbitol_C13-label-3ME10269401.021.200.680.99
Acetyl CoA_C12 PARENTME10267591.021.040.861.10
Glucose_C13-label-4ME10268860.950.980.781.20
Leucine_C13-label-2ME10270480.931.090.751.24
6-Phosphogluconate_C13-label-5ME10269860.511.270.971.17
Lysine_C12 PARENTME10267390.621.390.861.13
ATP_C12 PARENTME10269730.791.510.811.01
UDP-N-acetylglucosamine_C13-label-1ME10268120.751.430.900.99
Lysine_C13-label-1ME10267400.831.170.841.16
Alpha-Ketoglutarate_C12 PARENTME10268890.721.260.951.06
Fumarate_C12 PARENTME10270730.791.270.881.08
Dihydroxyacetone phosphate_C12 PARENTME10270320.851.250.921.02
Dihydroxyacetone phosphate_C13-label-2ME10270340.831.270.931.02
Inositol_C13-label-4ME10268760.711.221.310.75
UDP-N-acetylglucosamine_C13-label-6ME10268250.681.431.020.92
Aconitate_C12 PARENTME10270000.711.451.110.79
Glutamine_C12 PARENTME10268370.771.331.170.78
Phenylalanine_C13-label-9ME10269610.771.121.021.05
Arginine_C13-label-2ME10267580.761.050.951.19
Dihydroxyacetone phosphate_C13-label-3ME10270350.740.961.011.17
NADH_C13-label-11ME10268000.760.891.231.00
Fructose 1 6-bisphosphate_C12 PARENTME10269880.640.971.171.07
NADH_C13-label-8ME10268090.530.981.211.05
UDP-Glucose_C13-label-1ME10270080.990.801.170.99
Creatine Phosphate_C12 PARENTME10267700.950.990.991.04
Xanthine_C13-label-5ME10269690.950.901.071.02
Inositol_C13-label-3ME10268750.931.041.250.75
Inositol_C13-label-6ME10268780.821.081.230.82
UDP-Glucose_C13-label-6ME10270180.851.091.180.86
Glutamate_C12 PARENTME10268310.871.001.090.98
UDP-Glucose_C12 PARENTME10270070.861.011.150.93
UDP-Glucose_C13-label-5ME10270171.031.021.110.86
ATP_C13-label-1ME10269740.951.031.120.89
Creatinine_C13-label-2ME10267690.970.991.170.85
Glutathione Disulfide_C13-label-2ME10268450.981.251.150.71
Inositol_C13-label-5ME10268770.911.181.150.79
Lactate_C13-label-3ME10269560.961.141.010.92
Glucose 6-phosphate_C12 PARENTME10269921.051.181.040.83
Uridine_C13-label-8ME10270651.061.171.040.82
Aconitate_C13-label-6ME10270061.081.111.160.53
AMP_C13-label-3ME10270391.220.961.210.68
Proline_C12 PARENTME10269251.221.001.260.61
Uridine_C13-label-6ME10270631.051.021.120.68
Fumarate_C13-label-1ME10270741.141.041.100.79
UDP-Glucose_C13-label-3ME10270151.161.091.110.74
N-Acetyl-aspartate_C13-label-4ME10268711.141.041.200.70
Orotate_C13-label-1ME10270521.150.961.190.79
Glutathione Disulfide_C13-label-3ME10268461.271.200.970.73
NAD_C13-label-5ME10267921.321.241.000.67
AMP_C13-label-2ME10270381.201.121.170.64
Uridine_C13-label-1ME10270581.171.161.140.66
NAD_C13-label-10ME10267811.261.091.110.68
UMP_C13-label-2ME10270241.261.151.030.65
UMP_C13-label-3ME10270250.981.221.020.38
Citrate_C13-label-1ME10267420.951.381.250.55
Fumarate_C13-label-3ME10270760.911.311.230.64
NAD_C13-label-7ME10267941.201.350.990.68
Xanthine_C12 PARENTME10269651.171.340.960.73
Glutamate_C13-label-1ME10268321.131.341.060.66
Malate_C13-label-1ME10270691.111.361.020.70
Taurine_C13-label-2ME10269181.081.291.060.65
Uridine_C12 PARENTME10270571.111.261.060.71
Orotate_C12 PARENTME10270511.011.461.090.66
Fumarate_C13-label-2ME10270751.091.431.120.56
Glutathione Disulfide_C13-label-5ME10268481.031.331.110.55
Xanthine_C13-label-3ME10269681.200.990.821.06
Creatine Phosphate_C13-label-2ME10267721.111.110.890.88
Methionine_C13-label-2ME10269501.171.080.860.98
ATP_C13-label-3ME10269771.260.821.020.93
Fructose 6-phosphate_C13-label-6ME10270671.300.770.940.98
AMP_C13-label-5ME10270411.170.940.960.97
Uridine_C13-label-4ME10270611.200.930.940.99
AMP_C13-label-4ME10270401.190.901.060.90
ATP_C13-label-2ME10269761.140.971.040.90
Acetyl CoA_C13-label-6ME10267661.370.770.810.81
Dihydroxyacetone phosphate_C13-label-1ME10270331.460.980.950.75
Ornithine_C13-label-1ME10267551.451.000.840.74
ATP_C13-label-4ME10269781.360.970.980.82
NAD_C13-label-3ME10267901.371.130.920.78
Alanine_C12 PARENTME10269191.311.070.940.83
Lactate_C13-label-1ME10269541.311.090.940.82
Uridine_C13-label-3ME10270601.560.820.701.22
Glutathione_C13-label-3ME10268601.520.960.790.92
Arginine_C13-label-1ME10267571.391.090.671.04
Thiamine_C13-label-1ME10269241.461.080.620.93
Glutathione_C13-label-4ME10268611.630.560.970.91
N-Acetyl-aspartate_C13-label-6ME10268721.560.781.110.73
NAD_C13-label-8ME10267951.500.991.120.59
Glycine_C12 PARENTME10269081.580.481.730.23
Serine_C12 PARENTME10268971.570.491.790.18
Orotate_C13-label-2ME10270530.761.061.850.53
Orotate_C13-label-4ME10270550.960.981.06NA
Succinate_C13-label-4ME10269050.910.671.52NA
Malate_C12 PARENTME10270681.060.460.531.76
Glutamine_C13-label-1ME10268380.691.040.691.48
NADH_C13-label-2ME10268040.180.600.711.70
Asparagine_C12 PARENTME10268790.700.151.181.51
Glutamate_C13-label-2ME10268330.530.111.211.60
Valine_C13-label-2ME10269330.840.680.771.25
Tyrosine_C12 PARENTME10269441.120.610.851.32
Glutathione_C12 PARENTME10268570.940.660.961.28
Acetyl CoA_C13-label-5ME10267621.070.740.951.20
Sorbitol_C13-label-6ME10269431.010.691.021.16
UMP_C12 PARENTME10270220.730.801.380.90
6-Phosphogluconate_C12 PARENTME10269840.840.861.360.85
UMP_C13-label-1ME10270230.930.831.310.80
Glyceraldehyde-3-phosphate_C13-label-1ME10268540.650.621.291.12
NADH_C13-label-9ME10268100.700.521.361.07
Glucose_C12 PARENTME10268840.860.701.271.00
N-Acetyl-aspartate_C13-label-2ME10268690.830.561.311.05
Phenylalanine_C13-label-8ME10269600.820.621.231.10
Glutathione Disulfide_C13-label-1ME10268441.200.571.440.70
ATP_C13-label-5ME10269791.020.711.340.82
Uridine_C13-label-2ME10270591.030.641.500.75
Inositol_C12 PARENTME10268731.120.401.261.03
Glutathione Disulfide_C12 PARENTME10268431.210.611.230.88
Leucine_C12 PARENTME10270461.210.671.110.96
N-Acetyl-aspartate_C12 PARENTME10268670.490.641.610.91
Taurine_C12 PARENTME10269160.350.391.651.10
Fructose 6-phosphate_C12 PARENTME10270660.370.431.860.86
Glutathione_C13-label-2ME10268590.310.301.850.99
NADH_C13-label-1ME10267980.460.721.001.35
NADH_C13-label-3ME10268050.490.580.901.31
Glyceraldehyde-3-phosphate_C13-label-2ME10268550.590.821.101.26
NADH_C12 PARENTME10267970.411.011.071.27
N-Acetyl-aspartate_C13-label-3ME10268700.510.411.491.14
NADH_C13-label-10ME10267990.350.481.481.22
N-Acetyl-aspartate_C13-label-1ME10268680.500.601.371.17
NADH_C13-label-7ME10268080.400.521.351.20
Glyceraldehyde-3-phosphate_C13-label-3ME10268560.420.791.451.03
Glyceraldehyde-3-phosphate_C12 PARENTME10268530.390.841.301.16
NADH_C13-label-5ME10268060.490.791.241.18
NADH_C13-label-6ME10268070.450.731.281.12

Factors:

F1Genotype:KP | Medium:Control
F2Genotype:KP | Medium:woSer/Gly
F3Genotype:PGKP | Medium:Control
F4Genotype:PGKP | Medium:woSer/Gly
Data matrix
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