Clustering data with hclust algorithm for (Study ST003889)

HILIC NEGATIVE ION MODE (Analysis AN006389)
MetaboliteStructureF1F2F3F4
IMP_C13-label-3ME10285110.192.100.230.19
IMP_C13-label-2ME10285100.143.120.370.43
AMP_C13-label-5ME10285390.382.750.900.45
IMP_C13-label-1ME10285090.402.880.650.52
Isocitrate_C13-label-1ME10284710.662.130.820.66
AMP_C13-label-4ME10285380.322.441.120.54
IMP_C12 PARENTME10285080.522.450.820.56
Isocitrate_C13-label-2ME10284720.562.400.950.55
IMP_C13-label-4ME1028512NA1.19NA0.26
UDP-Glucose_C13-label-6ME1028446NA1.100.561.10
3-Methyl-2-oxovalerate_C13-label-5ME1028365NA1.06NA0.94
UDP-Galactose_C13-label-7ME1028494NA1.08NA0.92
N-Acetyl-aspartate_C13-label-4ME1028574NA1.001.00NA
Citrulline_C13-label-3ME1028596NA1.111.260.52
ATP_C13-label-4ME1028414NA1.150.940.96
Orotate_C13-label-3ME1028677NA1.041.180.89
AMP_C12 PARENTME10285341.580.590.361.31
Guanine_C13-label-2ME10286901.110.87NA0.90
Hydroxyphenyllactate_C13-label-7ME10283871.470.96NA0.57
Thymidine_C13-label-3ME10283701.491.12NA0.15
Glutamate_C13-label-1ME10285651.441.050.600.89
3-Hydroxybutyrate_C12 PARENTME10286661.251.330.750.75
Phenylalanine_C12 PARENTME10286791.261.300.650.85
Retinyl acetate_C12 PARENTME10283431.221.290.700.82
Alanine_C12 PARENTME10286351.041.231.230.60
Serine_C12 PARENTME10286140.921.361.200.65
Aconitate_C12 PARENTME10284991.171.540.990.46
Salicylic acid_C12 PARENTME10283501.291.210.980.60
Dihydroxyacetone phosphate_C12 PARENTME10285231.101.340.980.69
Glyceraldehyde-3-phosphate_C12 PARENTME10284841.081.390.960.68
Itaconic acid_C12 PARENTME10285971.300.991.090.65
2-Hydroxybutyrate_C13-label-1ME10286941.300.951.060.71
N-Acetyl-glutamate_C13-label-1ME10285851.280.901.090.73
Pyruvate_C12 PARENTME10283901.200.851.100.83
Thymidine_C13-label-5ME10283711.190.941.050.82
Allantoin_C13-label-1ME10286961.201.001.050.77
Proline_C13-label-1ME10286441.171.001.030.81
4-Hydroxybenzoic acid_C12 PARENTME10283941.170.981.180.71
Glucose_C13-label-2ME10284631.160.961.190.71
Inositol_C13-label-1ME10285891.071.031.210.74
Ophthalmate_C13-label-2ME10285621.101.021.220.71
Erythritol_C12 PARENTME10286781.190.901.280.66
Itaconic acid_C13-label-2ME10285981.270.861.220.64
N-Acetyl-glutamate_C13-label-2ME10285861.290.571.110.91
2-Hydroxybutyrate_C12 PARENTME10286931.510.720.790.91
Orotate_C12 PARENTME10286741.430.930.850.78
UTP_C13-label-2ME10284031.510.841.140.86
Alanine_C13-label-2ME10286371.370.761.080.75
Itaconic acid_C13-label-1ME10285991.380.721.080.78
Alpha-Ketoglutarate_C12 PARENTME10286061.320.750.970.90
N-Acetyl-glutamate_C12 PARENTME10285841.430.820.870.84
Orotate_C13-label-1ME10286751.420.770.960.80
Proline_C13-label-2ME10286451.270.541.370.69
3-Hydroxybutyrate_C13-label-2ME10286680.860.581.640.88
Glycerol 3-phosphate_C13-label-2ME10285290.900.711.410.95
Retinyl acetate_C13-label-16ME10283461.000.751.330.89
Retinyl acetate_C13-label-17ME10283471.080.771.330.81
Asparagine_C13-label-2ME10286120.790.841.261.09
Lactate_C13-label-3ME10286650.670.821.431.07
Glutamine_C13-label-1ME10286190.670.981.361.00
Thymidine_C13-label-8ME10283730.670.851.270.94
ADP_C12 PARENTME10284680.601.251.450.81
GDP_C13-label-1ME10284230.731.201.370.75
AMP_C13-label-1ME10285350.661.371.410.70
Glucose 6-phosphate_C12 PARENTME10284350.701.301.430.70
Glutamine_C13-label-2ME10286200.871.111.380.71
Ophthalmate_C13-label-3ME10285630.931.061.460.77
Acetylcholine_C13-label-1ME10286880.900.961.360.83
ADP_C13-label-1ME10284690.731.021.450.85
Fructose 6-phosphate_C12 PARENTME10284740.791.031.420.81
Glucose 6-phosphate_C13-label-3ME10284380.601.171.281.01
Isoleucine_C12 PARENTME10286590.691.161.290.93
GDP_C12 PARENTME10284210.751.121.290.90
Glucose 6-phosphate_C13-label-1ME10284360.811.111.250.88
Methyl-histidine_C13-label-1ME10286050.970.960.791.19
2-Ketoisovalerate_C12 PARENTME10283740.970.950.891.16
Aconitate_C13-label-2ME10285010.970.990.891.14
Lysine_C13-label-2ME10284091.040.970.811.08
NAD_C13-label-1ME10285171.120.930.871.05
NAD_C12 PARENTME10285161.100.900.921.05
Glycerol-2-phosphate_C12 PARENTME10285421.100.880.881.09
Glycerol 3-phosphate_C12 PARENTME10285271.100.880.881.09
Tryptophan_C13-label-1ME10286920.951.030.951.07
Isoleucine_C13-label-1ME10286600.991.010.941.05
Ornithine_C12 PARENTME10284270.991.010.931.05
Thymine_C12 PARENTME10283601.001.050.901.05
4-Pyridoxic acid_C13-label-1ME10283531.001.040.871.09
Serine_C13-label-2ME10286160.981.040.871.10
Glutathione_C12 PARENTME10285551.000.891.001.07
Histidine_C12 PARENTME10285691.020.950.971.04
2-Hydroxypyridine_C13-label-1ME10283591.010.950.991.03
NAD_C13-label-2ME10285181.010.960.981.04
2-Hydroxypyridine_C12 PARENTME10283581.050.930.941.05
Ornithine_C13-label-1ME10284281.060.950.961.01
Acetyl-tryptophan_C12 PARENTME10283811.251.070.760.92
Succinic acid_C12 PARENTME10285801.161.070.820.96
Taurine_C13-label-1ME10286471.170.970.840.99
Glutamate_C13-label-2ME10285661.270.930.910.87
Glucuronic acid_C12 PARENTME10284541.140.910.990.94
N-Acetyl-phenylalanine_C12 PARENTME10283801.160.900.980.94
Acetylcholine_C12 PARENTME10286871.210.880.980.91
Taurine_C13-label-2ME10286481.190.911.000.88
Glutamate_C12 PARENTME10285641.090.991.010.91
Arginine_C13-label-2ME10284261.120.970.931.00
Aspartate_C13-label-2ME10285521.121.000.940.94
Hydroxyphenyllactate_C12 PARENTME10283850.900.931.111.04
Citrate_C13-label-1ME10284300.900.901.111.07
UDP-N-acetylglucosamine_C13-label-1ME10284480.900.871.101.09
Lysine_C13-label-1ME10284080.891.011.021.07
N-Acetyl-aspartate_C13-label-2ME10285720.950.991.070.99
Tyrosine_C13-label-2ME10286550.950.991.061.00
Glucuronolactone_C13-label-1ME10283790.910.991.081.02
2-Ketoisovalerate_C13-label-1ME10283750.940.951.071.02
Threonine_C13-label-1ME10286320.930.971.091.01
UDP-N-acetylglucosamine_C12 PARENTME10284470.991.001.070.95
CDP-choline_C12 PARENTME10285040.950.961.130.96
Glycine_C13-label-2ME10286290.970.981.140.92
CDP-choline_C13-label-2ME10285060.980.851.340.96
Citramalate_C13-label-2ME10285770.860.881.241.01
Aconitate_C13-label-1ME10285000.970.901.170.95
Threonine_C12 PARENTME10286310.930.881.210.97
Pyruvate_C13-label-2ME10283920.870.971.240.92
Glutathione_C13-label-2ME10285570.940.911.260.90
Hypotaurine_C13-label-1ME10286340.890.901.270.95
Salicylic acid_C13-label-7ME10283511.100.681.100.84
Orotate_C13-label-2ME10286761.170.761.001.00
Proline_C12 PARENTME10286431.160.810.991.00
Fumarate_C13-label-2ME10286021.070.721.081.07
Glutathione_C13-label-1ME10285561.130.711.091.01
Alpha-Ketoglutarate_C13-label-2ME10286091.060.821.071.02
Glycerol 3-phosphate_C13-label-1ME10285281.020.821.101.01
Glutamate_C13-label-3ME10285671.090.861.090.94
Alpha-Ketoglutarate_C13-label-3ME10286081.070.841.020.99
Taurine_C12 PARENTME10286461.060.871.060.98
Retinyl acetate_C13-label-18ME10283481.050.801.200.86
Fumarate_C13-label-1ME10286011.100.801.160.90
Pyruvate_C13-label-1ME10283911.080.811.130.95
Glucose 6-phosphate_C13-label-2ME10284370.731.251.250.85
Glutamine_C13-label-3ME10286210.811.241.140.87
Glutamine_C13-label-4ME10286220.771.291.170.85
Asparagine_C13-label-1ME10286110.901.261.010.89
Glutamate_C13-label-4ME10285680.811.311.080.87
Glycine_C13-label-1ME10286280.861.251.080.89
Uric acid_C12 PARENTME10286510.831.251.060.92
Creatine_C12 PARENTME10286390.721.371.070.93
Creatine_C13-label-1ME10286400.731.381.080.91
Lactate_C13-label-2ME10286640.731.281.071.00
Cystine_C13-label-1ME10285320.691.261.130.95
NADP_C13-label-1ME10284170.771.271.100.95
UDP-N-acetylglucosamine_C13-label-3ME10284500.741.281.140.94
2-Aminoadipic acid_C13-label-1ME10285490.691.440.970.99
Inositol_C13-label-3ME10285900.691.341.001.05
Methionine_C13-label-1ME10286570.661.351.021.04
Citrulline_C13-label-2ME10285950.661.401.021.01
Fructose 6-phosphate_C13-label-4ME10284780.631.370.990.98
N-Acetyl-Leucine_C12 PARENTME10283840.761.400.841.08
NADP_C13-label-2ME10284190.781.420.850.95
Nicotinamide_C13-label-2ME10283571.141.210.860.86
Ophthalmate_C13-label-1ME10285611.151.190.890.81
Succinic acid_C13-label-3ME10285831.151.130.980.78
Lactate_C12 PARENTME10286621.131.100.940.86
N-Acetyl-aspartate_C12 PARENTME10285701.121.110.940.86
Glucose_C13-label-1ME10284621.161.060.980.83
Isoleucine_C13-label-2ME10286611.181.040.980.81
Glutamine_C13-label-5ME10286230.901.270.940.79
Uracil_C13-label-2ME10283981.001.261.000.76
Dihydroxyacetone phosphate_C13-label-1ME10285241.071.191.040.80
Glyceraldehyde-3-phosphate_C13-label-1ME10284851.061.211.030.79
Citramalate_C13-label-1ME10285761.041.241.000.80
Succinic acid_C13-label-2ME10285821.021.211.020.81
NAD_C13-label-6ME10285220.991.220.900.79
Uracil_C12 PARENTME10283761.041.280.940.82
Uracil_C13-label-1ME10283771.031.220.920.87
Glutathione_C13-label-4ME10285590.901.151.130.72
Serine_C13-label-1ME10286150.931.201.020.90
Aspartate_C13-label-1ME10285510.971.171.030.88
Glucose_C13-label-3ME10284640.951.191.050.85
Nicotinamide_C12 PARENTME10283550.901.191.110.86
UDP-Galactose_C12 PARENTME10284870.971.161.100.83
UDP-Glucose_C12 PARENTME10284420.961.191.100.83
Allantoin_C12 PARENTME10286950.951.051.150.89
Leucine_C13-label-2ME10286730.931.121.120.88
Glutamine_C12 PARENTME10286180.921.141.070.91
Citrate_C13-label-2ME10284310.921.101.090.92
Succinic acid_C13-label-1ME10285810.931.101.100.92
Alanine_C13-label-3ME10286381.041.090.990.90
CDP-ethanolamine_C13-label-1ME10284821.031.091.030.90
N-Acetyl-methionine_C12 PARENTME10283891.041.061.040.88
Glutathione Disulfide_C13-label-3ME10284061.021.020.980.99
Tryptophan_C12 PARENTME10286911.001.061.000.96
Glutathione_C13-label-3ME10285581.041.021.130.83
CDP-choline_C13-label-1ME10285051.021.071.110.84
Uric acid_C13-label-1ME10286531.001.061.090.88
Phosphocholine_+Hac_C13-label-1ME10284341.081.091.040.83
Alanine_C13-label-1ME10286361.111.051.080.79
Ophthalmate_C12 PARENTME10285601.131.051.070.78
Retinyl acetate_C13-label-1ME10283440.941.290.760.97
Uridine_C12 PARENTME10283950.901.360.850.96
Citrate_C12 PARENTME10284290.991.370.830.89
Cystine_C13-label-2ME10285330.941.410.900.88
Citramalate_C13-label-4ME10285790.981.160.930.96
Methionine sulfoxide_C12 PARENTME10286260.981.150.950.95
CDP-ethanolamine_C12 PARENTME10284810.991.120.911.01
Thymidine_C13-label-2ME10283691.031.120.901.03
Glucuronolactone_C12 PARENTME10283781.001.150.811.06
2-Deoxyuridine_C13-label-1ME10283830.911.170.891.06
Creatinine_C12 PARENTME10286970.941.130.881.07
Glycerol 3-phosphate_C13-label-3ME10285300.951.090.911.07
Aconitate_C13-label-4ME10285030.921.230.950.97
Thymine_C13-label-1ME10283610.941.270.900.91
Cystine_C12 PARENTME10285310.911.260.861.02
Glutathione Disulfide_C13-label-1ME10284050.931.210.881.02
Leucine_C13-label-1ME10286720.921.220.861.04
2-Deoxyuridine_C12 PARENTME10283820.861.250.891.04
Carnosine_C13-label-1ME10285470.871.220.941.02
Valine_C13-label-1ME10286500.821.250.941.04
Fructose 6-phosphate_C13-label-1ME10284750.781.031.151.02
Citrate_C13-label-3ME10284320.811.111.120.99
Citrulline_C13-label-1ME10285940.851.151.090.95
Fructose 6-phosphate_C13-label-5ME10284790.781.170.950.99
Methionine_C12 PARENTME10286560.771.300.981.02
Aspartate_C13-label-4ME10285540.751.241.021.03
Pyruvate_C13-label-3ME10283930.791.191.041.03
Creatine phosphate_C12 PARENTME10285140.871.101.031.03
Lysine_C12 PARENTME10284070.881.131.001.02
Carnosine_C12 PARENTME10285460.831.131.051.02
Citramalate_C13-label-3ME10285780.831.151.011.04
Aspartate_C13-label-3ME10285530.931.090.981.01
NADP_C12 PARENTME10284160.901.161.000.99
Glutathione Disulfide_C12 PARENTME10284040.891.160.961.02
Phenylalanine_C13-label-1ME10286800.921.150.961.00
Tyrosine_C12 PARENTME10286520.911.160.951.01
NAD_C13-label-5ME10285210.831.110.971.10
UDP-Galactose_C13-label-1ME10284880.781.140.981.10
CDP-ethanolamine_C13-label-2ME10284830.801.091.061.07
Creatinine_C13-label-1ME10286980.761.071.061.13
3-Methyl-2-oxovalerate_C12 PARENTME10283621.071.180.671.10
2-Aminoadipic acid_C12 PARENTME10285480.881.200.751.19
Dihydroxyacetone phosphate_C13-label-2ME10285250.961.190.731.14
Inosine_C12 PARENTME10286820.941.250.711.12
Inosine_C13-label-2ME10286840.711.450.741.17
N-Acetyl-Leucine_C13-label-1ME10283970.791.560.671.17
GTP_C12 PARENTME10283990.791.170.771.28
UDP-Galactose_C13-label-6ME10284930.641.270.831.21
N-Acetyl-aspartate_C13-label-3ME10285730.711.260.761.28
UDP-Galactose_C13-label-3ME10284900.731.250.801.23
Arginine_C13-label-1ME10284250.801.270.831.13
Glucose_C13-label-5ME10284660.681.270.931.16
Phenylalanine_C13-label-2ME10286810.711.300.901.16
2-Oxoadipic acid_C12 PARENTME10286240.711.270.991.09
Arginine_C12 PARENTME10284240.711.201.011.12
Thymidine_C13-label-1ME10283670.521.290.891.36
Glucuronic acid_C13-label-6ME10284600.571.490.861.19
Inosine_C13-label-1ME10286830.581.390.841.25
NAD_C13-label-4ME10285200.690.861.001.38
Dihydroxyacetone phosphate_C13-label-3ME10285260.790.950.891.35
Methyl-histidine_C12 PARENTME10286040.830.900.941.28
UTP_C12 PARENTME10284010.810.930.961.26
Fructose 6-phosphate_C13-label-6ME10284800.770.870.791.40
GTP_C13-label-1ME10284000.860.800.861.31
ATP_C13-label-3ME10284130.651.030.841.22
Serine_C13-label-3ME10286170.691.090.931.30
Glucuronic acid_C13-label-3ME10284570.751.040.891.32
Glyceraldehyde-3-phosphate_C13-label-3ME10284860.761.090.861.31
UTP_C13-label-1ME10284020.801.030.921.25
ATP_C13-label-1ME10284110.771.000.991.22
Glucuronic acid_C13-label-1ME10284550.801.060.981.15
2-Oxoadipic acid_C13-label-1ME10286250.791.060.961.18
ATP_C13-label-2ME10284120.781.060.971.19
Inositol_C13-label-4ME10285910.851.010.841.09
Citrulline_C12 PARENTME10285930.891.070.881.15
Uridine_C13-label-1ME10283960.861.110.891.15
3-Methyl-2-oxovalerate_C13-label-1ME10283630.890.990.961.15
NAD_C13-label-3ME10285190.861.020.911.19
Creatine phosphate_C13-label-1ME10285150.850.911.031.17
Asparagine_C12 PARENTME10286100.930.920.991.13
Thymidine_C12 PARENTME10283660.910.901.001.16
Fructose 6-phosphate_C13-label-2ME10284760.730.991.091.13
Glucuronic acid_C13-label-2ME10284560.760.931.071.21
Fructose 6-phosphate_C13-label-3ME10284770.681.181.111.05
UDP-N-acetylglucosamine_C13-label-2ME10284490.711.201.131.04
Leucine_C12 PARENTME10286710.631.101.141.15
UDP-Galactose_C13-label-2ME10284890.681.131.061.13
Glucose 6-phosphate_C13-label-4ME10284390.541.111.161.23
Glucuronic acid_C13-label-4ME10284580.561.151.071.24
Glucose 6-phosphate_C13-label-5ME10284400.561.021.151.12
Inositol_C12 PARENTME10285880.580.991.211.21
Glucose 6-phosphate_C13-label-6ME10284410.371.371.251.12
UDP-Galactose_C13-label-4ME10284910.391.201.071.27
3-Methyl-2-oxovalerate_C13-label-2ME10283641.150.820.501.21
O-Phosphorylethanolamine_C12 PARENTME10284731.041.020.541.34
3-Hydroxybutyrate_C13-label-1ME10286670.860.571.251.22
Glycerol-2-phosphate_C13-label-2ME10285440.920.361.221.27
Valine_C12 PARENTME10286490.980.471.241.19
Asparagine_C13-label-3ME10286131.090.740.731.31
Hydroxyphenyllactate_C13-label-1ME10283860.970.700.821.38
Glycerol-2-phosphate_C13-label-3ME10285450.870.610.791.51
ATP_C12 PARENTME10284100.850.661.021.36
Glycerol-2-phosphate_C13-label-1ME10285430.980.550.911.35
Alpha-Ketoglutarate_C13-label-1ME10286071.140.541.041.16
Fumarate_C12 PARENTME10286001.190.560.981.16
N-carbamoyl-aspartate_C12 PARENTME10285411.090.730.911.18
Citramalate_C12 PARENTME10285751.120.710.861.21
Guanine_C12 PARENTME10286891.110.690.861.24
Histamine_C12 PARENTME10286301.050.820.921.14
4-Pyridoxic acid_C12 PARENTME10283521.070.780.871.20
N-Acetyl-aspartate_C13-label-1ME10285711.030.830.861.21
Adenosine_C12 PARENTME10283880.980.790.921.24
Hypoxanthine_C12 PARENTME10286990.920.771.021.22
Tyrosine_C13-label-1ME10286540.930.810.981.22
Hypotaurine_C12 PARENTME10286330.920.751.111.16
Fumarate_C13-label-3ME10286031.040.761.001.14
Glycine_C12 PARENTME10286271.050.750.981.15
Aconitate_C13-label-3ME10285021.010.711.041.15
Xanthine_C12 PARENTME10286691.000.661.051.20
Thymidine_C13-label-7ME10283720.851.71NA0.67
Inosine_C13-label-4ME10286860.651.710.360.63
Thiamine_C13-label-1ME10286420.821.960.520.69
UDP-Galactose_C13-label-5ME10284920.721.800.520.94
Inosine_C13-label-3ME10286850.461.990.441.21
Glucuronic acid_C13-label-5ME10284590.431.650.751.19
Ribose 5-phosphate_C13-label-3ME10284980.581.540.551.40
AMP_C13-label-2ME10285360.701.711.250.61
AMP_C13-label-3ME10285370.612.051.210.50
Glucose_C13-label-4ME10284650.871.511.050.70
Phosphocholine_+Hac_C12 PARENTME10284330.971.510.910.74
Ribose 5-phosphate_C12 PARENTME10284950.901.530.960.75
Glucose_C13-label-6ME10284670.781.440.980.91
Isocitrate_C12 PARENTME10284700.761.511.080.79
Hypoxanthine_C13-label-1ME10287000.621.700.840.99
Ribose 5-phosphate_C13-label-2ME10284970.591.630.940.98
Inositol_C13-label-6ME10285920.771.710.780.71
Ribose 5-phosphate_C13-label-1ME10284960.741.650.920.89
Thiamine_C12 PARENTME10286410.801.600.940.81
UDP-N-acetylglucosamine_C13-label-5ME10284520.801.650.760.87
Xanthine_C13-label-1ME10286700.811.570.800.95
Nicotinamide_C13-label-1ME10283560.511.640.960.71
UDP-N-acetylglucosamine_C13-label-4ME10284510.441.791.040.99
UDP-N-acetylglucosamine_C13-label-6ME10284530.411.850.890.94
GDP_C13-label-2ME10284221.04NA1.070.82
Glucose_C12 PARENTME10284610.980.210.981.60
Thymidine_C13-label-10ME1028368NANA0.901.10
UDP-Glucose_C13-label-4ME1028445NA0.361.011.08
Cystathionine_C12 PARENTME10285070.510.751.181.48
Lactate_C13-label-1ME10286630.341.051.001.57
UDP-Glucose_C13-label-1ME10284430.450.360.911.70
Aspartate_C12 PARENTME10285500.530.780.741.82
UDP-Glucose_C13-label-3ME10284440.250.760.661.51

Factors:

F1Diet:Control | | Genotype:PolG
F2Diet:Control | | Genotype:wt
F3Diet:Ser/Gly free | | Genotype:PolG
F4Diet:Ser/Gly free | | Genotype:wt
Data matrix
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