Clustering data with hclust algorithm for Comprehensive Profiling by Non-targeted Stable Isotope Tracing Capillary Electrophoresis-Mass Spectrometry (Study ST001167)

CE-MS POSITIVE ION MODE (Analysis AN001929)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12
Cys_M+0ME278148NANA0.090.250.060.130.750.111.131.704.560.07
Glutathione (GSSG)_divalent_M+2ME2781760.040.120.910.950.090.700.460.731.283.250.072.94
Glutathione (GSSG)_divalent_M+3ME2781770.060.080.670.690.060.670.460.601.163.110.072.61
Gly_M+2ME2778950.140.160.570.890.261.140.230.161.304.850.731.17
Ser_M+3ME2780250.100.040.711.040.310.430.46NA1.813.111.280.60
Pro_M+4ME278087NANA0.691.09NA1.580.850.692.440.620.780.29
Ala_M+2ME2779630.150.141.403.610.510.820.170.120.782.750.470.52
Ala_M+3ME2779640.10NA1.423.830.470.780.10NA0.531.770.340.31
Asp_M+2ME2781640.070.071.671.820.570.960.220.191.432.291.121.26
Glu_M+2ME2781020.110.071.862.340.531.200.110.091.052.400.561.34
Glu_M+3ME2781030.040.021.792.390.302.140.050.030.702.500.291.34
Pro_M+2ME2780850.120.152.033.220.402.180.080.110.471.790.290.80
Gln_M+5ME2780820.640.711.010.980.681.92NANANA1.020.72NA
Glu_M+5ME278105NANA1.011.390.122.73NANA0.281.330.110.81
Pro_M+3ME2780860.210.151.151.680.322.09NANA0.281.070.160.51
Asp_M+4ME278166NANA0.991.160.272.02NANA0.501.370.340.80
Glu_M+4ME278104NANA1.221.670.141.90NANA0.341.550.110.85
Betaine_M+0ME278142NA0.310.511.420.430.710.470.641.082.010.811.75
Glycerophosphocholine_M+3ME278229NANA0.610.960.140.46NANA1.081.870.412.25
5^-Deoxy-5^-methylthioadenosine_M+5ME278037NANA0.950.85NA0.66NANA1.051.07NA1.33
Glutathione (GSSG)_divalent_M+5ME278179NANA0.330.56NA0.43NANA0.721.72NA1.28
Glutathione (GSH)_M+5ME278209NANA0.290.69NA1.67NANA0.241.970.051.61
Glutathione (GSH)_M+2ME2782060.00NA0.550.880.020.66NA0.001.182.870.001.83
Glutathione (GSSG)_divalent_M+4ME278178NANA0.420.51NA0.660.260.270.782.39NA1.97
Glutathione (GSH)_M+3ME278207NANA0.490.830.040.94NANA0.692.350.021.66
Glutathione (GSH)_M+4ME278208NANA0.360.710.031.11NANA0.252.23NA1.59
Asp_M+3ME278165NANA1.251.350.251.200.17NA0.921.700.961.01
S-Adenosylmethionine_M+6ME277802NANA0.551.06NA0.92NANA1.241.370.831.13
N8-Acetylspermidine_M+2ME277751NANA0.950.950.541.06NANA1.160.780.871.27
S-Adenosylmethionine_M+5ME277801NANA0.951.240.621.02NANA1.350.821.100.80
GABA_M+2ME277868NANA0.981.10NA0.810.60NANA1.67NA0.68
Adenosine_M+5ME277997NANA0.851.26NANANANA0.661.230.580.84
Argininosuccinic acid_M+2ME277983NANA1.221.890.450.66NANA0.491.19NA0.39
O-Acetylcarnitine_M+2ME277967NANA0.972.010.390.47NANA0.791.600.520.62
Cys-Gly_M+0ME2779750.53NA1.24NANA0.700.860.380.750.741.810.64
Spermine_M+0ME2777250.570.550.660.860.630.722.241.100.470.632.40NA
γ-Glu-Cys_M+0ME278195NANANANANANA1.800.670.570.492.190.28
Cystathionine_M+0ME2780140.070.060.030.070.030.031.892.221.633.271.550.45
β-Ala_M+0ME2778360.010.040.050.100.030.101.561.861.413.011.341.02
Glutathione (GSSG)_divalent_M+1ME2781750.160.340.860.710.190.271.011.611.812.410.182.04
GABA_M+0ME2778660.050.210.530.700.070.221.451.851.113.050.831.45
GABA_M+1ME277867NA0.230.530.66NA0.241.131.470.892.270.721.14
4-Guanidinobutyric acid_M+0ME2778870.320.870.700.980.330.561.301.801.052.300.840.63
5-Aminovaleric acid_M+0ME2778770.460.420.770.980.270.661.221.071.502.100.821.11
Creatinine_M+4ME277844NANA0.911.190.36NANA1.640.941.180.74NA
β-Leucine_M+0ME277940NANA0.59NANA0.690.951.140.961.701.060.78
β-Ala_M+1ME277837NA0.32NA0.20NANA1.111.201.051.641.000.79
Cystathionine_M+1ME278015NANANANANANA0.871.040.872.180.750.30
Guanidoacetic acid_M+0ME277883NANANANANANA1.001.220.711.810.760.49
β-Ala_M+2ME277838NANANANANANA0.810.990.881.740.780.71
Choline_M+2ME277780NANANA0.86NANA0.840.800.981.061.09NA
Hypotaurine_M+0ME278215NANANANANANA1.221.320.981.031.220.25
Glutathione (GSSG)_divalent_M+0ME2781740.350.690.730.490.300.111.742.691.781.330.301.14
S-Adenosylhomocysteine_M+0ME2779250.470.69NANA0.49NA1.501.830.840.47NANA
Citrulline_M+5ME2781300.73NA1.39NA1.180.591.65NA1.29NA0.740.98
N-Acetylputrescine_M+1ME277902NANA0.670.501.12NANANA1.48NA1.060.68
N-Acetylputrescine_M+2ME2779030.12NA1.390.931.030.69NANA1.880.350.940.84
N-Acetylputrescine_M+0ME2779010.450.861.130.642.110.570.450.322.380.172.280.78
Putrescine_M+0ME2777440.660.631.271.003.131.250.350.140.930.211.630.87
Putrescine_M+1ME2777450.590.640.990.941.910.87NANA0.66NA1.080.97
Creatinine_M+2ME2778421.01NA0.851.170.91NANA0.76NA0.96NANA
Lys_M+2ME2777860.63NA1.411.011.23NA0.700.65NANANANA
S-Adenosylmethionine_M+0ME2777961.521.340.390.221.10NA1.601.140.650.171.81NA
5^-Deoxy-5^-methylthioadenosine_M+0ME2780321.151.370.52NA0.82NA1.251.320.66NA0.87NA
S-Adenosylmethionine_M+1ME2777971.181.010.39NA0.77NA1.140.870.56NA1.39NA
Adenosine_M+0ME277992NA0.860.830.791.25NA1.101.16NA0.601.13NA
2-Aminoadipic acid_M+6ME2781120.750.921.461.051.380.630.81NA0.58NA0.99NA
Glu-Glu_M+9ME2780981.021.101.010.851.160.501.350.990.75NA1.09NA
Ornithine_M+0ME2777721.441.211.563.251.260.620.380.530.710.660.230.33
Ornithine_M+1ME2777731.231.001.342.771.070.600.420.500.620.55NA0.30
Ser_M+1ME2780231.241.051.191.351.120.510.750.741.001.830.870.44
Gly-Gly_M+0ME2778960.881.111.431.651.000.610.620.620.791.360.840.50
Pro_M+0ME2780830.941.031.442.120.990.730.730.810.741.330.750.36
Pro_M+1ME2780840.921.021.412.090.980.780.720.810.751.340.750.41
trans-4-Hydroxyproline_M+0ME2781680.971.041.331.930.970.520.861.000.831.450.790.29
trans-4-Hydroxyproline_M+1ME2781690.981.031.311.860.970.550.861.000.851.460.820.30
Arg_M+2ME2778140.991.121.231.681.130.860.850.910.921.020.820.51
Argininosuccinic acid_M+0ME2779811.351.231.221.541.250.340.900.871.111.100.900.34
Thr_M+0ME2780721.441.241.481.881.260.520.750.730.781.090.760.25
Thr_M+1ME2780731.401.231.441.811.240.570.750.750.771.100.780.32
Argininosuccinic acid_M+1ME2779821.251.101.301.620.970.400.750.651.011.220.770.42
Asn_M+2ME2780601.131.011.321.691.080.520.790.820.921.410.930.45
Asn_M+0ME2780581.211.121.351.721.140.520.830.840.911.290.870.29
Asn_M+1ME2780591.211.121.341.681.130.550.830.840.891.270.890.32
Arg_M+0ME2778121.241.141.311.741.090.610.800.830.881.150.880.41
Arg_M+1ME2778131.201.121.301.691.120.620.810.850.911.120.900.44
Tyr_M+1ME2781531.531.351.471.651.290.430.470.451.010.890.671.00
His_M+2ME2778311.351.261.491.801.141.070.470.580.640.690.570.43
Gln_M+2ME2780791.501.291.521.521.340.700.780.620.780.870.760.52
Tyr_M+2ME2781541.521.451.551.701.330.680.510.580.760.820.660.54
Ser_M+0ME2780221.591.301.391.481.380.430.920.920.890.810.910.23
Lys_M+0ME2777841.561.241.261.691.190.680.860.850.840.780.860.38
Lys_M+1ME2777851.551.261.261.651.190.680.880.820.820.840.810.41
Gln_M+0ME2780771.891.611.601.341.570.640.980.810.660.240.830.19
Gln_M+1ME2780781.981.621.631.341.580.620.950.780.640.260.800.20
Gln_M+3ME2780801.891.531.622.281.330.540.420.540.560.840.510.24
2-Aminoadipic acid_M+5ME2781111.851.481.932.151.420.600.450.470.500.630.560.17
Phe_M+2ME2781341.621.441.591.931.410.540.490.510.520.680.53NA
2-Aminoadipic acid_M+4ME2781101.931.611.761.951.290.630.530.580.430.790.600.20
Val_M+0ME2780261.911.581.741.961.580.620.500.520.510.670.540.24
Val_M+1ME2780271.871.541.661.901.530.670.550.560.530.690.580.27
His_M+1ME2778301.661.451.692.141.370.660.510.570.570.780.590.27
His_M+0ME2778291.731.461.732.201.460.600.500.540.560.740.560.21
Tyr_M+0ME2781521.701.461.752.171.450.590.500.540.540.800.550.23
Ile_M+1ME2780451.721.461.652.091.450.600.540.560.540.830.590.26
Ile_M+2ME2780461.661.461.612.051.450.610.550.570.540.870.620.29
Phe_M+0ME2781321.781.531.732.111.490.590.520.550.530.720.560.22
Trp_M+0ME2781131.771.511.742.021.510.620.500.530.540.730.580.26
Trp_M+1ME2781141.761.501.732.011.520.620.470.530.570.750.590.27
Ile_M+0ME2780441.731.521.692.021.470.600.530.560.540.830.580.24
Phe_M+1ME2781331.721.491.662.031.490.620.540.570.580.750.590.26
Val_M+2ME2780281.691.441.601.921.540.560.500.530.570.680.610.26
Leu_M+2ME2780531.761.471.591.961.490.620.600.600.550.790.630.25
Leu_M+0ME2780511.801.521.621.901.520.600.570.590.550.830.590.24
Leu_M+1ME2780521.801.511.631.931.490.590.570.590.560.820.580.26
Kynurenine_M+0ME2780030.831.031.121.530.950.64NANANA0.66NANA
trans-4-Hydroxyproline_M+2ME2781700.760.881.091.520.870.49NANANA1.29NANA
Gln_M+4ME2780811.020.620.922.481.071.140.360.400.571.490.540.78
Thr_M+2ME2780741.100.560.752.220.891.150.310.35NA1.420.710.42
Cys-Gly_M+2ME2779770.650.741.240.741.241.670.261.670.980.990.97NA
N6,N6,N6-Trimethyllysine_M+0ME2778190.960.801.091.460.782.200.850.770.840.820.90NA
Ser_M+2ME2780240.910.770.971.190.880.590.590.541.092.870.870.69
Ala_M+0ME2779610.421.770.871.790.550.150.631.490.992.050.780.25
Ala_M+1ME2779620.650.980.921.720.58NA0.530.960.962.180.710.62
Glycerophosphocholine_M+2ME2782280.32NANA0.610.65NA0.960.722.070.761.560.37
Glycerophosphocholine_M+0ME2782260.670.360.620.440.690.071.351.132.340.962.720.49
Glycerophosphocholine_M+1ME2782270.640.350.600.420.65NA1.231.042.090.902.410.49
Asp_M+1ME2781630.400.530.780.770.710.411.451.291.411.321.940.76
Choline_M+0ME2777780.700.590.660.720.700.621.251.061.461.491.620.97
Choline_M+1ME2777790.750.590.690.720.710.621.261.061.431.481.570.98
2-Aminoadipic acid_M+0ME2781060.610.580.570.950.42NA1.450.881.131.431.650.61
Glu-Glu_M+0ME2780890.680.570.570.650.56NA1.181.311.331.501.520.77
Asp_M+0ME2781620.410.590.640.620.730.211.801.591.410.932.290.57
Glutathione (GSH)_M+0ME2782040.380.420.450.560.460.231.651.101.461.552.500.97
Glutathione (GSH)_M+1ME2782050.380.410.470.590.470.271.561.041.411.642.441.03
O-Acetylcarnitine_M+0ME2779650.470.900.511.180.36NA1.041.481.121.531.120.57
Pyridoxamine 5^-phosphate_M+0ME278063NA0.73NA0.860.67NA1.011.010.901.011.271.02
Nicotinamide_M+0ME2778530.460.790.900.780.451.410.901.611.011.360.861.20
Creatine_M+0ME2779560.300.790.510.720.291.201.271.290.792.341.440.71
Creatine_M+1ME277957NA1.000.620.690.580.981.091.010.601.551.360.87
N8-Acetylspermidine_M+0ME2777490.980.830.620.821.721.120.960.891.250.680.821.49
Citrulline_M+0ME2781250.860.911.400.990.72NA0.861.321.300.960.740.88
Adenine_M+0ME2778600.810.840.730.900.82NA1.061.550.820.920.72NA
Thiamine_M+1ME2777600.920.891.081.270.89NA0.870.931.130.731.05NA
1-Aminocyclopropane-1-carboxylic acid_M+0ME277791NA0.890.760.881.211.041.050.691.240.711.410.78
Urea_M+0ME2782240.860.830.821.210.850.890.930.981.170.811.780.78
Phosphorylcholine_M+2ME2782200.581.081.131.100.791.041.090.851.040.951.500.66
Phosphorylcholine_M+0ME2782180.671.001.301.080.720.941.031.001.000.891.470.75
Phosphorylcholine_M+1ME2782190.720.901.321.130.670.940.991.031.030.931.430.79
Spermidine_M+0ME2777360.490.781.181.300.740.921.150.521.051.101.740.82
Spermidine_M+1ME2777370.880.821.001.110.820.980.910.541.061.101.550.80
Thiamine_M+0ME2777591.190.891.221.541.150.421.070.881.140.861.280.45
Adenine_M+2ME2778620.970.921.101.310.970.720.920.861.220.970.980.63
Pyridoxine_M+0ME2779160.980.891.121.430.940.780.880.941.071.101.120.73
1-Methylnicotinamide_M+1ME2778460.890.891.121.470.940.671.010.961.190.991.180.65
1-Methylnicotinamide_M+0ME2778450.910.921.151.400.970.661.010.931.191.041.200.61
Adenine_M+1ME2778610.900.911.151.390.930.641.000.911.171.031.180.61
Carnitine_M+0ME2779080.911.000.801.180.620.501.301.500.971.171.210.72
Glu_M+0ME2781000.770.950.971.080.950.361.141.131.231.211.270.87
Glu_M+1ME2781010.670.831.001.120.860.481.031.011.251.471.220.95
DPAME2782351.001.010.990.961.021.160.990.990.970.991.010.92
3-APME2777241.040.990.970.910.971.401.001.010.970.851.020.88
IS_Methionine sulfoneME2781671.101.031.010.871.091.271.040.980.940.821.040.86
Pyridoxal_M+0ME2779470.980.940.961.380.951.050.630.780.761.040.641.09
Gly_M+0ME2778930.800.921.221.420.930.970.730.880.981.350.800.92
Gly_M+1ME2778940.810.911.191.370.960.950.770.880.961.410.790.94

Factors:

F1Cell lines:RWPE1 | Time points:0.25h
F2Cell lines:RWPE1 | Time points:0h
F3Cell lines:RWPE1 | Time points:12h
F4Cell lines:RWPE1 | Time points:24h
F5Cell lines:RWPE1 | Time points:4h
F6Cell lines:RWPE1 | Time points:6days
F7Cell lines:VCaP | Time points:0.25h
F8Cell lines:VCaP | Time points:0h
F9Cell lines:VCaP | Time points:12h
F10Cell lines:VCaP | Time points:24h
F11Cell lines:VCaP | Time points:4h
F12Cell lines:VCaP | Time points:6days
Data matrix
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