Clustering data with hclust algorithm for Peroxide antimalarial extended treatment timecourse on trophozoite-stage P. falciparum parasites (Study ST001204)

pHILIC NEGATIVE ION MODE (Analysis AN002005)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32
[PR] IridotrialME2854760.220.400.260.510.390.360.380.304.930.630.630.570.651.180.540.400.500.390.390.250.340.300.330.286.083.112.482.380.510.750.810.72
UrateME2857252.460.280.120.092.790.290.180.222.830.310.100.163.871.290.120.172.680.340.130.183.180.360.160.144.150.330.200.253.000.350.220.13
UMPME2857230.310.400.350.550.840.460.801.800.370.300.420.670.730.380.530.920.712.991.943.073.492.973.183.24NA0.102.600.360.061.683.083.37
L-TryptophanME2856362.810.470.560.680.490.480.450.530.760.471.541.750.650.490.520.432.730.570.560.450.491.610.640.586.390.400.521.530.440.660.620.71
Ovothiol BME2856640.540.291.020.310.310.281.310.400.310.340.750.340.300.750.340.881.890.444.020.800.392.942.201.243.550.402.370.790.590.470.430.98
FA methyl(15:0) tridecanedioic acidME2855920.581.500.280.172.962.260.780.900.260.880.260.111.190.810.300.301.590.691.060.921.200.921.040.451.733.430.851.440.781.090.460.80
Margaroyl-EAME2856400.770.951.101.181.280.871.290.842.063.290.850.740.750.900.721.340.810.530.370.630.740.861.850.640.320.450.510.522.460.721.050.60
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranoseME2854890.370.510.340.340.340.410.380.420.440.370.600.480.300.540.660.431.301.921.711.661.361.371.331.371.091.281.341.331.152.641.601.19
Albendazole sulfoneME2855230.540.610.530.560.520.520.500.530.540.520.570.510.450.590.510.560.891.391.622.050.911.261.542.211.081.151.591.970.861.141.801.94
D-Ribose 1,5-bisphosphateME2855730.230.230.240.180.180.230.250.180.220.210.240.190.240.220.240.211.391.492.861.811.301.811.572.481.921.521.831.891.581.471.701.89
D-Sedoheptulose 1,7-bisphosphateME2855740.110.150.120.050.100.110.120.060.070.100.110.090.110.080.100.061.371.413.211.941.221.871.602.831.941.481.931.911.481.441.842.10
D-Erythrose 4-phosphateME2855590.360.440.690.370.310.400.490.360.310.460.560.440.430.460.470.491.311.412.501.721.191.351.322.051.921.221.711.721.281.131.551.60
L-2-AminoadipateME2856240.390.360.430.250.340.320.380.350.370.300.390.360.340.350.330.341.511.492.331.961.051.431.402.232.021.432.091.601.331.181.601.77
5^-DehydroadenosineME2855060.310.240.350.310.340.200.290.440.180.300.240.300.290.150.320.361.641.101.351.981.291.201.551.751.700.941.191.391.321.301.952.28
sn-Glycerol 3-phosphateME2857280.250.320.330.310.240.340.320.310.250.310.330.310.250.330.320.301.581.631.621.711.591.731.791.781.701.581.741.861.541.721.881.73
Spongipregnoloside AME2857130.210.320.360.270.220.320.320.320.290.320.330.290.280.340.280.291.661.701.531.571.601.821.561.541.661.481.851.901.511.812.251.80
3-deoxy-D-galactoseME2854930.670.600.440.230.560.380.360.190.630.470.420.170.680.400.270.272.171.361.081.042.131.261.171.112.551.301.091.112.181.381.251.12
[SP] Sphing-4-enine-1-phosphateME2854780.950.42NA0.470.770.450.720.600.620.400.410.421.370.280.590.361.971.010.591.232.310.770.840.862.500.880.951.102.400.740.730.91
QuinalphosME2857051.690.780.870.890.720.630.580.870.890.611.271.521.030.730.790.661.690.850.670.570.811.400.800.993.970.530.671.150.650.800.980.92
sodium dodecyl sulfateME2857120.990.760.781.640.610.660.670.711.090.930.970.870.881.331.960.820.641.460.670.901.090.850.840.723.720.770.730.580.601.150.810.76
[PR] Abietic acidME2854751.531.271.030.660.790.580.600.420.731.480.600.481.592.020.800.800.781.081.480.960.690.941.840.881.640.681.021.030.471.660.680.79
3-Phospho-D-glyceroyl phosphateME2854980.820.911.170.800.650.860.970.630.760.891.161.061.001.011.161.190.480.732.341.380.390.940.912.000.730.821.141.400.610.701.011.38
2,7-Anhydro-alpha-N-acetylneuraminic acidME2854860.961.460.901.371.190.441.090.831.511.390.740.450.460.900.451.130.540.580.851.370.800.830.711.330.760.571.461.320.891.751.401.54
HippurateME2856140.790.690.900.640.850.700.741.311.260.850.820.750.791.100.820.781.320.931.030.861.461.281.041.042.070.870.980.831.480.960.901.14
Thr-Thr-AspME2857200.810.780.790.780.730.780.770.880.760.710.760.820.720.790.910.760.880.870.900.912.301.450.900.972.430.900.900.952.041.180.940.95
Ala-Cys-Pro-SerME2855200.680.700.870.870.900.901.011.330.710.640.860.920.870.890.790.960.700.841.441.680.841.011.041.670.890.951.171.450.960.671.221.56
Cys-Gly-Pro-SerME2855530.760.600.700.750.800.810.931.310.700.650.890.870.810.840.800.830.761.021.091.571.351.181.352.190.880.911.361.461.510.871.051.21
dGDPME2855600.780.660.750.570.740.700.800.660.600.820.790.690.800.780.750.801.060.972.991.140.951.210.931.511.591.131.201.091.490.921.091.05
IDPME2856200.690.720.630.570.750.660.620.490.630.630.590.570.700.670.630.581.281.512.051.130.881.441.091.351.711.621.891.170.921.371.331.12
GDP-L-fucoseME2856040.710.620.780.650.620.650.710.770.610.620.680.720.760.650.720.751.041.201.911.350.991.421.301.601.351.201.401.281.101.131.351.35
UDP-glucuronateME2857220.620.610.660.490.590.610.700.610.530.630.650.630.710.680.650.651.131.222.071.231.061.581.331.851.451.241.311.411.031.221.401.46
AMPME2855250.620.550.520.460.590.560.470.410.620.520.550.450.670.560.490.441.201.422.411.391.011.621.211.891.591.441.431.461.311.371.361.42
beta-Citryl-L-glutamic acidME2855410.550.500.580.440.490.540.610.460.500.510.590.570.620.570.590.561.041.212.201.511.051.721.312.041.391.361.461.541.131.411.421.53
3-Oxododecanoic acidME2854970.691.300.640.671.110.861.120.960.630.730.280.481.111.030.510.840.931.411.371.131.241.231.101.201.591.501.311.220.651.181.010.95
[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta,9alpha,14beta-trihydroxy-3(16)-fusicocceneME2854720.550.640.640.410.990.530.510.460.570.600.800.750.660.550.660.511.731.420.951.771.541.401.651.380.931.191.141.231.051.561.281.20
cis-AconitateME2855490.770.620.530.520.780.540.510.530.770.540.660.430.810.600.610.451.811.691.240.941.911.831.070.902.021.591.000.911.621.621.220.98
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acidME2854700.790.560.750.460.630.620.600.550.790.560.800.490.770.630.570.591.531.341.431.141.371.511.271.212.171.291.351.071.341.471.251.11
D-RiboseME2855720.540.610.640.660.760.560.590.530.670.620.650.530.780.640.710.541.281.151.221.001.601.581.771.581.611.131.251.221.441.351.551.27
DurlettoneME2855750.450.680.700.530.850.820.550.550.610.610.650.500.850.640.730.511.521.061.030.821.651.761.711.301.691.131.161.011.671.451.561.21
Glu-Ser-ThrME2856090.420.560.580.510.910.620.540.690.770.610.610.440.920.640.630.521.481.141.000.771.811.731.741.411.921.101.061.011.611.511.541.20
DigitalinME2855650.740.560.390.310.690.670.700.610.660.500.310.400.760.590.400.451.401.641.501.211.301.571.441.761.661.421.281.301.491.531.491.27
Asp-Trp-Gly-GlyME2855350.570.650.640.570.650.660.620.720.560.560.650.580.670.620.630.711.051.241.321.571.361.441.441.731.301.191.321.441.301.261.421.52
D-ErythroseME2855580.610.520.540.750.530.570.640.550.620.490.520.640.780.580.530.531.431.381.351.371.501.251.391.521.851.291.281.391.401.351.411.46
tetcyclacisME2857151.410.710.770.841.171.330.600.871.040.620.750.730.900.721.020.800.901.000.831.031.271.071.221.061.551.031.191.011.111.111.101.23
9,10-dibromo-stearic acidME2855120.680.680.660.680.610.640.680.720.670.640.680.700.610.640.660.651.231.331.291.471.151.001.191.321.181.271.451.671.251.421.841.34
D-GlucoseME2855610.830.750.720.840.630.670.760.810.960.790.640.740.660.780.670.941.031.451.171.431.101.061.081.731.130.931.011.281.091.411.910.98
(S)-2-AcetolactateME2854610.710.600.790.890.830.770.920.930.780.900.590.930.900.800.931.051.170.921.130.841.351.411.601.281.161.021.031.120.931.151.351.19
N-Acetyl-D-fucosamineME2856460.920.880.920.900.800.840.160.890.820.850.830.840.780.920.830.871.131.181.231.171.111.211.221.181.461.131.141.181.131.171.131.20
4-Amino-4-deoxychorismateME2854990.880.841.000.790.790.690.710.790.830.920.820.970.890.830.930.911.161.331.561.061.001.051.021.121.741.060.911.001.231.031.210.91
SanguinarineME2857090.820.880.820.820.710.690.890.810.720.840.920.820.760.870.850.971.301.251.400.951.061.251.121.231.731.051.061.071.111.121.071.01
D-ArabinonateME2855550.750.700.700.720.710.720.700.880.640.710.760.720.660.740.650.721.071.541.301.281.151.861.151.281.501.191.301.270.951.151.251.28
gamma-L-Glutamyl-L-cysteinyl-beta-alanineME2856030.670.740.760.790.790.680.800.870.750.750.840.870.840.780.760.861.531.231.201.011.451.291.131.051.591.151.251.071.101.111.221.07
PsychosineME2857010.640.650.790.740.540.640.620.680.650.630.690.660.710.820.600.701.211.171.531.331.381.321.481.421.771.261.171.111.211.291.301.30
Acetyl phosphateME2855150.660.720.640.820.590.720.610.600.710.630.660.770.630.730.740.611.501.321.311.321.361.181.161.361.561.091.281.291.471.251.321.38
2-OxobutanoateME2854900.820.780.800.730.810.730.740.730.810.780.760.690.840.810.740.611.331.161.251.131.361.261.211.111.361.291.191.131.301.261.191.21
LL-2,6-DiaminoheptanedioateME2856330.710.750.720.720.650.730.690.670.770.710.750.710.740.700.670.651.331.281.291.231.321.341.251.091.611.251.141.221.371.311.331.30
AngustineME2855270.590.680.710.680.780.700.690.650.690.700.750.610.890.760.760.620.961.131.131.161.251.461.671.621.111.021.311.351.201.441.481.45
PyruvateME2857040.680.720.720.760.890.750.810.720.700.810.790.690.880.730.760.751.241.141.110.991.361.351.531.351.361.071.081.151.271.291.401.27
DiclobutrazolME2855630.660.850.870.940.750.840.780.960.820.750.780.680.680.710.730.771.041.301.251.330.991.291.361.310.990.871.291.490.931.241.511.25
Thiourocanic acidME2857190.710.650.770.830.800.910.881.020.640.660.770.720.750.790.750.791.001.121.331.251.141.201.081.411.081.071.401.231.401.501.181.15
1-O-Methyl-myo-inositolME2854820.760.750.930.700.910.640.820.790.760.890.800.730.750.860.660.771.161.361.261.081.131.351.471.061.211.021.261.241.201.131.351.21
Ala-Phe-Tyr-TyrME2855210.760.880.930.840.890.770.700.800.770.840.810.820.720.880.850.841.141.341.271.041.191.201.241.171.211.121.071.181.251.161.251.06
(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoateME2854620.770.690.770.770.730.780.850.910.720.700.810.710.770.840.770.931.091.171.101.371.251.191.081.371.231.131.321.281.151.241.131.39
Cys-GlyME2855520.770.690.710.900.820.800.840.900.750.760.860.850.740.820.830.841.021.081.211.321.171.291.091.471.351.121.151.141.171.081.251.21
(S)-AMPAME2854630.780.750.730.880.830.810.870.950.800.680.900.820.860.770.820.871.011.191.111.241.151.231.081.371.201.081.201.311.181.121.301.11
Leu-AlaME2856290.700.820.800.850.750.690.910.900.690.750.870.910.850.830.730.921.171.201.191.121.101.321.251.091.391.211.171.241.051.051.321.17
HypaphorineME2856190.740.740.810.750.720.700.790.820.730.650.820.760.730.740.780.751.171.261.241.191.231.271.331.331.411.191.191.151.151.221.361.27
a Cysteine adductME2855140.820.800.860.780.740.850.830.830.760.750.830.770.870.820.860.761.091.061.221.191.151.301.161.241.291.161.161.221.121.221.231.25
UracilME2857240.810.790.850.800.720.810.800.910.880.840.810.850.780.790.790.841.111.241.131.191.141.171.191.201.311.081.151.181.201.221.211.20
LysoPE(16:0)ME2856391.480.690.950.720.660.721.150.931.070.501.020.581.111.230.830.891.270.910.980.780.741.351.661.082.360.641.420.970.601.000.840.89
PS(18:0)ME2856941.620.800.860.720.800.791.151.001.040.601.020.611.100.950.830.841.201.081.120.890.831.451.041.042.050.811.220.880.761.110.940.85
N-methylisocyanurateME2856551.460.841.120.441.020.850.950.961.560.850.930.820.690.820.900.831.020.940.731.380.610.851.460.591.281.051.370.751.801.281.070.75
BarbiturateME2855371.571.080.971.051.361.151.041.150.681.290.610.770.541.060.951.580.930.780.910.830.840.871.080.621.141.040.961.011.050.701.160.63
parabanateME2856721.201.360.650.791.301.170.711.110.840.970.771.070.641.041.281.671.000.800.810.600.690.840.930.581.440.691.500.861.350.561.970.83
PS(O-36:2)ME2857000.690.760.740.790.950.690.670.960.710.761.320.690.700.851.381.061.380.790.911.391.021.330.970.920.791.811.231.141.081.001.061.47
iodoacetateME2856231.191.231.021.211.091.191.131.191.141.130.360.541.171.131.231.261.150.821.211.311.110.640.540.770.830.701.181.111.130.820.351.16
[ST hydroxy(3:0)] 3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronideME2854801.530.830.700.541.471.181.512.011.840.930.770.601.970.950.690.590.891.170.630.970.820.840.860.800.770.910.750.800.930.910.910.94
PG(36:1)ME2856821.070.850.891.050.781.461.832.331.431.080.911.111.171.041.181.140.670.820.870.730.760.791.020.810.750.800.680.710.820.890.780.75
Glu-ThrME2856101.280.830.750.641.491.771.901.961.391.070.870.711.351.300.940.860.630.830.820.880.650.830.830.930.830.790.730.890.680.840.850.89
Asp-AspME2855321.010.800.820.810.911.271.411.740.970.930.890.851.091.120.950.890.840.931.040.970.841.050.991.081.020.940.920.990.861.051.011.02
Asp-SerME2855340.970.810.840.811.011.361.491.631.070.860.930.871.011.090.930.940.921.001.020.980.900.970.961.070.970.890.880.940.890.990.981.00
Hydantoin-5-propionateME2856171.230.820.830.781.221.501.551.781.350.840.870.931.311.110.930.900.880.910.840.890.850.930.860.880.980.830.860.870.850.890.850.90
L-LysineME2856341.120.870.880.961.161.161.281.801.120.951.011.021.191.261.051.130.830.860.901.020.830.820.870.960.940.910.840.930.760.740.910.93
5-exo-Hydroxy-1,2-campholideME2855070.780.991.141.361.140.890.941.361.630.811.020.910.980.700.880.780.850.720.590.760.611.331.100.741.331.251.291.390.591.440.880.80
UrocanateME2857261.010.850.880.920.690.880.841.141.201.020.841.051.072.160.940.780.701.121.090.700.940.970.840.831.511.100.970.760.881.031.001.30
PyrazinamideME2857031.031.541.281.231.351.370.870.961.530.611.010.590.660.740.770.860.861.000.881.140.921.271.001.131.140.630.930.800.710.800.891.52
PE(30:4)ME2856751.151.230.911.001.040.980.791.091.301.171.150.930.980.851.180.750.840.920.500.861.411.211.150.820.440.930.821.131.560.990.791.11
Ile-Lys-Lys-MetME2856211.070.601.551.300.851.190.861.291.030.671.220.890.680.921.250.850.760.920.890.841.271.121.010.960.590.950.911.420.840.901.100.94
O-glucosyl-tomatidineME2856610.730.791.120.910.940.960.821.111.340.770.971.150.810.630.880.771.131.080.851.290.991.631.161.120.611.141.110.951.001.180.851.20
PhosphoenolpyruvateME2856860.641.071.080.990.561.141.110.880.630.991.171.070.701.171.121.100.600.971.471.110.661.151.121.400.781.011.141.130.681.121.101.14
Arg-Trp-Asp-CysME2855310.931.070.921.020.931.121.071.150.870.991.090.920.841.060.841.050.670.971.111.370.700.861.151.280.680.961.171.190.690.901.181.27
DicyclohexylamineME2855640.761.280.961.170.691.021.051.240.700.911.121.140.661.320.901.170.890.930.951.150.630.851.291.321.080.740.951.390.730.911.011.07
N-UndecanoylglycineME2856580.961.231.001.070.811.011.001.180.690.891.261.130.691.240.871.370.820.850.931.250.660.781.271.240.920.760.981.250.730.960.991.21
8-Amino-7-oxononanoateME2855111.270.710.781.121.010.951.350.961.140.811.270.760.841.230.790.791.010.951.361.021.051.150.880.691.031.121.000.710.871.160.881.34
FA (8:1) octenalME2855820.791.161.031.100.820.831.031.031.090.910.520.721.011.060.861.050.891.280.980.811.240.931.081.231.630.941.171.040.821.030.980.93
OrthophosphateME2856630.861.130.871.120.800.831.141.160.840.800.930.841.150.911.151.120.981.051.400.870.850.930.811.341.070.971.221.020.940.910.931.05
6-Phospho-D-gluconateME2855100.830.821.000.780.780.931.020.890.750.871.070.911.060.951.011.000.810.911.771.090.741.230.951.531.140.951.051.101.030.881.031.16
NADP+ME2856490.850.860.910.790.690.830.910.850.750.740.880.870.900.880.930.900.961.081.651.150.971.211.041.511.281.071.171.071.011.001.101.16
Dodecanoic acidME2855701.171.081.121.011.430.981.031.261.230.921.180.911.031.111.061.070.640.950.750.811.230.881.050.880.930.701.020.640.921.001.090.89
LinoleateME2856320.900.911.020.941.350.890.810.961.430.851.330.841.080.950.871.330.760.990.990.981.110.941.151.010.950.871.040.820.780.931.230.99
3-N4-ethenocytosineME2854960.941.020.740.921.081.091.090.840.941.241.261.021.301.091.150.991.070.890.941.120.771.070.820.970.821.120.991.171.030.890.820.79
BergaptolME2855401.230.960.830.801.171.211.331.011.011.050.880.791.011.100.901.001.101.060.931.080.790.880.900.771.111.031.041.131.140.920.860.97
CholesterolsulfateME2855470.980.910.890.860.700.820.910.840.950.850.881.000.830.750.930.821.241.120.971.091.011.091.231.460.840.991.100.891.021.261.351.41
PS(40:4)ME2856960.971.040.951.100.690.861.130.870.901.000.881.020.850.720.950.891.181.230.851.071.061.071.071.460.740.940.990.900.891.171.201.36
PI(36:4)ME2856921.061.020.901.160.700.880.950.850.770.860.821.150.880.850.840.930.941.130.851.140.981.141.071.490.861.111.050.960.841.291.181.39
tetrahydrogeranylgeranyl-bacteriopheophytinME2857170.941.030.871.180.730.721.060.840.690.920.891.090.850.730.960.921.041.260.901.101.031.121.151.370.791.161.010.960.831.271.231.38
FA (20:4)ME2855800.991.031.081.140.860.820.700.681.010.801.000.881.210.930.850.820.881.061.101.031.061.131.221.201.261.051.011.120.841.061.131.06
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acidME2854670.991.081.001.230.940.810.480.381.030.890.880.861.260.970.790.660.951.141.130.951.071.201.091.201.271.021.031.150.931.261.261.11
3-HydroxyanthranilateME2854941.000.731.061.000.591.050.891.120.930.761.120.920.880.980.970.641.031.201.050.760.961.381.041.051.471.081.000.850.841.291.231.13
Hexadecanoic acidME2856120.920.791.501.470.730.771.140.951.111.041.471.081.230.820.911.140.801.090.881.010.950.821.211.140.920.700.900.870.601.011.120.91
Octadecanoic acidME2856600.860.851.321.480.730.821.040.911.060.921.411.051.230.811.021.060.821.060.971.051.010.891.101.140.990.760.950.920.681.071.080.95
FA (20:0)ME2855790.930.961.181.370.780.851.011.001.051.011.301.011.170.961.020.960.811.140.910.981.110.901.141.011.150.860.890.890.741.050.980.90
FA oxo(18:0)ME2855981.040.881.101.140.780.880.930.941.191.021.270.981.321.050.921.010.891.110.891.031.100.921.091.071.130.780.920.760.721.071.110.98
FA hydroxy(10:0)ME2855830.881.001.311.210.981.051.021.151.050.930.871.050.701.141.190.870.760.860.940.611.161.170.971.081.120.810.941.111.011.010.921.14
PE(P-40:7)ME2856790.910.931.071.160.551.190.921.190.980.951.020.911.050.930.951.100.891.051.160.920.940.871.371.091.110.960.890.890.941.111.060.93
PE(38:6)ME2856770.950.821.080.810.781.100.761.081.030.881.020.750.980.920.750.930.871.091.100.990.990.971.591.291.200.900.940.971.021.191.231.01
PE(P-40:5)ME2856780.900.860.961.040.771.100.801.131.040.890.890.841.000.850.790.920.901.131.041.021.071.031.321.261.130.990.920.921.071.261.121.04
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineME2854770.901.011.081.070.921.140.811.401.040.991.030.920.960.941.020.900.841.020.811.001.261.041.211.060.670.940.850.841.061.061.131.08
alpha-IroneME2855240.900.891.201.240.940.820.951.310.920.821.031.230.870.901.060.980.870.911.001.200.890.901.021.141.010.801.001.090.870.881.091.27
FA hydroxy(9:0) hydroxy-nonanoic acidME2855890.970.971.181.300.691.011.000.991.150.860.990.850.961.091.100.911.011.100.930.791.071.370.781.110.831.051.170.880.830.951.140.97
N-DecanoylglycineME2856501.141.111.121.230.790.991.081.111.030.761.021.040.810.851.100.951.060.880.961.081.261.070.930.870.901.170.801.060.750.901.151.03
2,3-Dihydro-2,3-dihydroxybenzoateME2854851.100.960.891.060.851.001.101.131.010.891.060.841.021.050.900.820.780.931.110.951.251.240.901.260.841.140.891.000.780.841.221.18
[FA (18:1)] 9Z-octadecenoic acidME2854651.051.231.061.040.790.810.901.021.050.680.900.870.960.780.850.770.941.111.190.781.301.300.971.221.021.150.941.060.971.041.091.15
2-IsopropylmaleateME2854881.151.030.941.080.840.750.961.121.020.820.951.000.890.951.280.781.140.781.060.771.101.241.101.080.950.890.840.951.160.991.131.24
PhenolsulfonphthaleinME2856840.830.941.011.040.790.910.961.270.860.791.060.930.800.940.951.060.981.001.211.081.041.051.040.981.560.880.951.010.991.061.140.89
Choline phosphateME2855480.821.021.141.090.820.860.850.900.860.911.010.740.840.931.061.100.950.971.020.971.091.031.071.261.470.960.991.020.961.161.101.04
D-GlucuronateME2855620.930.891.091.010.800.900.901.010.931.021.090.971.010.931.100.951.200.951.050.861.071.061.051.181.480.900.880.810.980.951.100.96
LathodoratinME2856281.000.920.870.970.850.971.020.860.780.891.010.970.890.960.840.991.111.041.191.300.860.861.101.061.081.121.101.340.980.881.011.17
4-HydroxyphenylacetylglycineME2855031.040.980.990.970.640.830.920.880.910.880.951.020.850.990.940.891.021.091.280.861.061.350.990.981.311.071.010.971.031.040.971.28
EpibatidineME2855760.901.050.960.970.880.960.800.870.970.930.970.870.950.940.900.871.071.180.981.031.091.091.041.111.160.971.051.101.101.101.101.01
Monomethyl sulfateME2856440.910.950.940.950.820.890.790.960.960.810.870.910.920.870.870.871.101.210.951.111.261.101.081.121.271.030.961.011.141.211.091.07
AcetylcholineME2855160.810.950.950.870.760.820.820.920.860.850.950.900.820.890.870.871.031.181.031.111.071.051.151.221.141.181.111.181.051.171.151.27
MethacholineME2856430.840.910.910.900.760.880.870.950.900.880.950.950.890.860.940.921.101.131.111.151.031.111.151.141.131.121.011.061.061.121.101.14
N-EthylglycocyamineME2856520.850.860.900.860.780.900.840.890.870.810.940.900.870.880.850.841.131.121.101.121.071.171.181.221.131.141.071.111.101.121.171.20
N-Acetyl-D-glucosamine 6-phosphateME2856470.820.970.910.900.880.890.880.990.860.840.890.910.840.940.870.931.121.031.151.081.031.211.091.101.221.051.001.001.091.091.241.17
Muramic acidME2856450.820.850.900.830.820.830.830.920.840.810.890.910.890.880.860.901.011.051.171.071.171.171.281.231.241.031.081.061.181.141.221.13
SulfateME2857140.920.850.880.890.860.840.860.910.890.850.890.860.930.930.860.871.091.081.191.081.131.171.101.201.231.071.101.011.111.131.141.09
Hordatine AME2856160.921.000.890.950.900.880.851.020.950.810.941.050.950.920.801.031.061.060.851.041.061.061.081.011.111.131.070.991.171.091.201.16
N-AcetyllactosamineME2856480.880.911.010.860.870.850.971.060.840.890.951.020.880.970.910.951.061.070.971.071.021.031.161.111.141.031.021.110.981.131.131.14
XylobioseME2857270.840.980.970.900.800.930.931.010.930.841.000.970.871.000.881.001.051.051.001.051.031.081.171.021.101.021.081.091.071.081.111.15
L-Fuculose 1-phosphateME2856310.980.901.080.850.941.130.920.800.841.070.940.880.971.090.920.971.031.031.130.981.021.051.011.131.311.060.951.050.941.021.001.02
melibionateME2856411.030.890.890.910.940.980.990.990.921.000.860.891.040.960.900.911.030.991.071.001.081.051.001.111.261.131.011.071.020.981.031.07
nonulose 9-phosphateME2856570.830.951.020.970.880.920.930.920.870.840.941.010.970.990.971.010.900.991.191.180.881.091.061.311.190.981.061.110.900.891.121.13
(R,R)-Tartaric acidME2854590.960.970.960.950.910.910.921.001.050.860.940.900.990.890.940.891.091.011.031.220.911.240.971.171.171.040.991.030.991.001.071.05
Decanoic acidME2855561.110.941.111.130.900.880.921.081.220.800.940.941.070.761.070.870.940.930.830.931.051.071.011.071.320.840.950.960.881.231.150.97
FA hydroxy(18:0)ME2855850.891.060.961.170.861.160.891.020.950.891.030.971.210.940.910.920.911.120.851.060.871.170.980.951.410.850.950.910.821.101.211.01
6-Acetamido-2-oxohexanoateME2855090.991.111.041.181.060.911.061.391.040.811.021.200.871.061.190.980.961.030.800.940.941.210.990.960.890.851.030.810.870.900.841.06
FA hydroxy(7:0)ME2855871.031.091.141.241.040.961.021.171.020.780.970.871.211.181.140.790.990.850.790.890.881.121.031.050.970.951.000.970.761.070.991.02
MetazocineME2856421.270.991.141.150.820.910.990.990.961.000.910.961.060.990.980.981.050.860.900.861.021.080.901.120.731.120.980.901.061.191.001.14
N-NonanoylglycineME2856561.241.061.231.110.751.161.091.150.900.860.761.120.900.831.020.920.871.050.780.941.041.180.981.200.841.031.061.110.791.070.911.05
PA(36:4)ME2856711.271.090.971.160.871.061.060.940.890.941.001.091.060.881.021.121.000.980.750.970.970.981.051.300.910.880.940.960.811.011.021.05
Arg-Lys-Asp-AspME2855300.721.021.301.050.931.031.120.841.140.801.030.960.850.800.990.940.881.071.141.060.831.051.050.950.990.831.061.001.041.091.241.18
ancymidolME2855261.090.881.370.910.890.881.040.801.070.960.990.970.880.800.970.951.091.121.120.780.951.210.981.140.900.940.990.971.011.021.121.21
L-TyrosineME2856370.910.921.230.960.960.910.961.021.080.851.101.000.960.900.950.841.091.051.070.741.111.160.991.051.061.060.970.810.971.041.091.16
(S)-2-Aceto-2-hydroxybutanoateME2854601.140.951.190.911.100.940.851.251.170.880.861.181.051.020.810.901.040.970.910.970.990.980.951.040.940.910.991.141.060.960.950.98
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic AcidME2854791.051.001.060.950.761.081.021.351.030.910.971.301.040.950.970.821.021.170.901.030.911.040.800.940.870.980.941.020.880.991.151.09
CrotanecineME2855511.031.091.191.050.890.880.910.941.000.841.051.030.811.011.030.880.840.931.011.011.131.331.001.070.830.841.071.150.861.041.271.03
ApioleME2855290.951.031.131.301.050.900.930.981.001.030.881.040.960.910.930.950.901.021.160.931.111.051.051.270.850.941.080.690.970.991.031.00
CytosineME2855541.000.811.141.160.951.010.961.221.160.951.031.060.870.920.931.051.061.151.200.860.990.940.920.960.770.881.030.920.951.111.110.93
2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolactoneME2854871.190.861.021.150.770.980.831.261.060.981.000.870.890.930.981.010.910.851.101.101.071.141.050.931.010.981.030.900.831.051.001.24
4-PyridoxolactoneME2855051.060.851.041.041.021.081.001.150.791.031.060.850.791.060.810.991.030.901.051.031.001.051.031.081.031.121.010.971.021.031.101.05
PS(38:4)ME2856950.861.170.950.920.910.800.961.110.940.880.920.911.001.051.030.990.881.080.871.091.061.071.091.120.961.070.970.971.000.941.201.24
Thiodiacetic acidME2857181.031.171.071.030.890.931.071.000.911.041.050.810.911.160.991.080.861.030.920.880.951.180.881.080.841.061.130.920.841.091.161.05
FA methyl(8:0)ME2855960.901.120.941.090.801.101.021.211.100.931.031.090.951.071.011.040.891.000.911.110.850.911.071.051.030.810.941.080.900.971.081.00
Leu-Val-GlyME2856300.960.951.151.080.980.951.021.260.961.001.090.981.101.041.051.060.911.001.091.041.010.921.010.951.020.830.970.900.770.881.001.08
sn-glycero-3-PhosphocholineME2857111.021.091.090.940.861.050.991.230.951.001.241.100.981.111.080.990.870.920.931.060.930.910.871.140.950.870.940.960.791.060.991.10
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidME2854660.950.881.091.011.040.930.940.941.130.941.140.851.031.050.960.980.901.001.121.011.071.101.161.091.080.930.920.970.770.951.071.00
FA oxo(8:0) oxo-octanoic acidME2856001.020.960.951.110.960.990.931.011.090.900.900.911.191.070.950.970.940.871.051.011.160.970.931.041.190.970.911.080.901.120.990.94
FA oxo(16:0)ME2855971.010.841.081.110.890.900.920.921.150.871.071.001.180.980.900.830.861.061.071.040.971.031.051.121.190.880.980.940.911.201.051.00
Tetradecanoic acidME2857161.000.931.151.090.910.900.900.920.861.011.060.981.091.040.940.900.911.050.960.951.071.021.041.061.260.880.970.940.861.211.180.98
FA methyl(18:0)ME2855940.951.021.101.070.910.840.810.851.060.881.181.111.110.851.090.951.011.001.000.921.080.951.100.971.240.930.940.911.021.100.991.05
AnthranilateME2855280.981.071.070.970.900.940.920.760.991.011.000.940.940.980.960.931.121.031.020.970.991.031.120.991.270.831.010.981.011.151.061.04
FA (8:0) octanoic acidME2855811.020.991.041.110.871.000.930.820.970.901.020.991.020.920.960.961.010.970.961.101.031.041.131.061.140.950.980.981.021.130.981.00
L-Aspartate 4-semialdehydeME2856270.960.891.020.931.040.930.860.971.020.881.011.050.950.870.980.941.041.181.021.061.011.021.061.071.180.991.061.041.020.971.051.02
Hexanoic acidME2856131.090.951.020.990.860.950.900.971.010.880.980.940.970.990.950.931.041.051.150.990.971.001.041.061.231.030.960.980.941.101.031.03
[PR] 4-HydroxymytiloxanthinME2854741.011.000.931.060.960.900.891.021.020.840.981.110.981.031.040.940.961.060.980.941.091.011.100.991.260.970.920.860.941.121.061.03
BendiocarbME2855381.101.031.000.960.850.890.900.960.940.930.891.091.210.901.161.080.810.930.980.951.161.130.991.101.021.001.030.911.021.060.981.04
FA (14:1) tetradecenoic acidME2855771.110.981.060.960.750.940.880.991.070.880.971.111.051.070.960.950.931.051.041.041.131.100.931.050.990.990.920.770.931.081.141.16
N-Dimethyl-2-aminoethylphosphonateME2856511.060.961.080.960.910.871.201.071.010.881.051.020.961.110.900.960.891.030.931.071.021.010.991.081.020.941.021.120.880.921.160.91
[FA (11:0)] undecanoic acidME2854641.111.051.111.041.060.870.971.081.000.911.060.820.911.051.100.810.920.920.910.981.081.081.061.190.880.911.001.040.951.210.901.03
5-HydroxypentanoateME2855080.980.961.001.070.840.841.141.161.040.850.950.940.961.050.930.830.961.001.060.860.981.181.021.190.950.970.961.041.021.021.151.10
FA oxo(7:0)ME2855990.910.971.031.100.910.911.011.141.210.970.871.000.911.021.110.980.961.010.970.901.021.130.871.100.991.050.991.020.891.091.000.95
FA hydroxy(8:0) hydroxy-octanoic acidME2855881.000.951.110.960.781.041.011.151.160.940.970.890.851.021.090.960.820.951.020.951.071.191.051.100.841.001.000.980.891.051.081.13
1,8-Diazacyclotetradecane-2,9-dioneME2854811.061.041.091.180.871.011.001.121.160.890.950.940.910.931.000.890.870.951.070.841.111.210.921.100.821.000.970.950.930.971.061.17
PentanoateME2856801.030.991.060.990.961.000.991.101.110.860.980.930.900.991.050.890.961.061.050.901.041.170.940.970.891.021.060.980.961.051.021.10
FA hydroxy(6:0)ME2855861.000.871.081.220.790.951.031.201.150.901.041.011.010.901.000.860.960.890.950.960.961.131.000.990.821.150.991.020.901.161.011.13
RetronecineME2857061.001.011.141.300.841.020.920.971.060.911.140.950.941.101.140.891.010.900.920.921.071.101.071.060.830.860.860.990.941.060.971.08
FerulateME2856021.121.001.101.230.850.961.031.121.040.911.161.010.911.011.130.871.050.880.910.861.021.221.021.040.790.900.930.990.950.950.981.04
Glu-Ala-Ala-ProME2856060.981.051.131.130.890.951.041.121.080.941.151.050.911.061.110.871.000.950.870.911.041.100.991.020.830.940.920.950.911.071.031.00
Ala-Asp-Gly-ProME2855191.051.031.101.110.850.931.081.171.050.901.100.990.911.041.100.830.931.010.940.871.031.110.980.990.891.010.990.980.881.041.031.09
Glu-Ala-Gly-ProME2856071.031.041.101.130.870.941.071.181.020.921.121.020.861.041.130.830.970.940.910.911.051.161.031.010.861.000.940.930.860.981.091.07
OxalateME2856651.021.060.941.040.880.960.911.141.021.001.001.031.031.011.010.950.931.021.101.001.021.200.881.071.110.980.990.920.951.090.790.96
chelidamateME2855450.961.041.031.110.870.881.011.131.161.001.020.991.041.010.971.010.781.020.970.980.990.961.040.940.921.030.910.951.181.081.030.99
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acidME2854691.100.951.010.960.910.970.971.221.031.000.951.110.980.961.041.010.901.131.000.950.981.030.971.020.821.020.940.911.081.040.951.10
FA methyl(12:0) dodecanoic acidME2855901.001.041.000.960.760.991.041.130.940.970.901.050.941.061.030.970.901.011.051.021.100.991.061.070.831.110.980.920.981.111.031.06
Butanoic acidME2855420.980.901.091.121.081.030.971.101.100.850.950.940.920.961.001.080.971.011.080.970.951.061.031.060.931.030.980.881.010.981.070.92
N-FormiminoglycineME2856530.930.981.031.080.961.011.031.101.040.891.100.960.921.001.120.910.940.951.060.930.981.060.921.020.891.061.010.931.001.071.180.94
4-Methyl-2-oxopentanoateME2855041.030.981.021.031.060.941.030.950.961.010.940.971.061.020.961.071.070.991.010.920.991.031.010.981.001.080.980.981.020.890.991.02
PhthalateME2856881.040.921.010.981.001.031.001.050.991.020.981.061.040.991.021.020.961.050.980.980.871.071.000.910.991.020.900.990.981.091.061.01
FA methyl(6:0)ME2855950.991.070.990.970.860.970.941.070.960.971.001.020.971.040.990.930.990.950.980.990.991.061.061.071.120.941.000.930.951.091.091.07
[FA (7:0/2:0)] Heptanedioic acidME2854680.960.971.021.130.941.020.860.971.090.920.941.051.060.991.000.990.990.960.960.981.021.081.001.081.020.980.980.990.941.081.031.00
4-Hydroxy-3-nitrosobenzamideME2855001.001.031.051.100.930.980.991.151.070.920.981.000.981.001.010.940.930.990.960.941.121.021.011.030.950.950.950.980.961.011.051.03
4-Hydroxybutanoic acidME2855010.931.011.101.060.961.011.031.101.060.881.021.030.950.991.051.000.960.951.040.921.081.070.961.010.890.990.980.990.940.911.120.99
4-HydroxyphenylacetateME2855021.011.011.091.000.901.031.001.061.040.910.981.010.960.981.081.020.990.961.021.001.001.091.031.020.970.931.000.940.911.090.971.03
RishitinME2857071.011.011.081.090.950.990.991.080.940.911.041.061.050.981.000.991.010.990.990.961.070.981.021.001.020.931.010.900.931.081.000.93
BenzoateME2855390.990.971.060.990.940.980.941.041.040.941.060.960.991.011.020.940.931.050.951.021.060.971.071.021.020.991.050.980.951.041.011.00
PhytuberinME2856890.971.031.061.070.990.960.941.070.980.961.001.040.961.011.021.010.940.961.021.011.050.970.990.990.980.980.980.970.971.021.081.01
Ala-Ala-Asp-ProME2855170.971.001.031.020.971.001.001.031.020.990.961.010.991.011.020.980.990.990.990.981.041.021.030.990.961.001.011.010.950.981.051.02
Asp-Val-Gly-ProME2855360.961.021.011.011.000.980.971.020.981.001.030.991.000.991.010.981.021.001.021.001.000.991.051.010.971.001.010.980.960.991.011.02
FA hydroxy(16:0)] hexadecanoic acidME2855841.081.010.890.890.810.861.021.171.060.950.961.071.060.980.970.900.961.051.010.850.971.000.931.051.021.031.101.051.061.170.951.14
FA methyl(16:1)ME2855931.021.040.981.060.810.990.971.100.971.171.001.011.000.960.970.970.900.980.980.880.981.150.871.060.821.011.090.961.101.061.041.09
DinosebME2855681.010.980.941.060.850.930.970.981.101.080.881.050.980.950.970.950.870.981.050.980.981.201.071.081.010.981.000.971.021.051.011.08
FA (17:0)ME2855780.951.050.960.950.870.840.971.061.081.160.960.951.010.891.041.030.830.941.000.931.021.051.031.161.030.851.040.951.051.101.071.15
Gln-Leu-Lys-TyrME2856050.820.911.101.151.000.951.071.000.941.000.861.080.940.981.021.101.070.911.161.010.931.050.980.941.211.070.980.981.010.880.920.96
3-Amino-2-piperidoneME2854920.871.070.871.090.890.911.191.030.850.991.041.081.091.100.991.130.971.051.020.951.080.951.020.900.991.200.900.900.880.931.061.00
3-MethylbutanolME2854950.831.100.921.080.940.861.071.080.841.041.061.041.131.100.941.061.060.960.940.911.240.901.070.930.931.240.850.970.860.901.111.04
2,3,4,5-TetrahydrodipicolinateME2854841.291.121.141.000.740.930.940.811.261.090.880.870.870.971.070.901.140.921.030.701.071.041.011.181.180.901.000.920.761.251.060.96
FA(16:1)ME2856011.240.841.290.830.920.900.970.981.420.981.190.951.091.081.230.950.861.220.890.831.050.821.120.921.280.740.830.800.870.971.080.85
FA methyl(14:0)ME2855911.120.851.100.910.880.900.890.851.351.091.041.011.171.180.930.850.981.100.860.871.140.931.020.951.510.840.860.820.861.091.200.84
RugosinoneME2857081.011.181.171.080.860.910.980.981.141.291.041.161.001.111.061.011.321.100.860.800.930.791.060.730.981.070.840.810.970.990.950.85
9-Oxononanoic acidME2855131.151.021.041.000.970.950.940.991.090.991.091.011.161.020.980.971.160.980.771.010.960.910.931.041.380.880.840.930.980.891.050.95
L-Ascorbate 6-phosphateME2856251.051.101.131.160.921.120.991.001.031.061.151.121.101.151.121.130.880.910.910.900.901.000.890.960.990.930.920.830.920.890.950.90
DopamineME2855711.041.151.271.130.900.970.980.921.111.021.051.081.111.031.070.941.040.980.900.860.910.941.020.831.240.940.910.850.911.021.000.88
HydroxymethylphosphonateME2856180.991.051.251.060.940.941.061.011.151.031.131.131.081.061.131.091.080.950.950.960.830.770.970.871.260.900.860.830.980.840.980.89
CholateME2855461.080.850.980.981.110.961.151.580.910.971.290.951.560.981.210.890.841.160.780.821.160.840.810.711.260.800.770.951.040.900.870.83
Clavulanic acidME2855501.221.321.531.180.891.100.860.931.231.390.961.340.830.861.010.911.040.930.780.960.980.830.950.680.831.030.710.950.880.670.981.25
dimethylthiophosphateME2855671.330.901.370.890.890.871.191.321.441.130.981.281.320.771.360.920.860.900.991.010.970.860.820.810.940.770.910.720.760.880.960.86
PA(36:1)ME2856681.331.241.161.431.051.181.351.191.021.071.261.231.110.981.331.070.840.870.610.780.890.780.850.920.590.810.770.770.760.880.880.99
PA(34:1)ME2856661.261.251.141.410.911.121.091.070.971.071.051.261.041.041.201.180.830.870.690.910.890.870.911.100.710.850.850.820.730.950.941.05
PA(36:2)ME2856691.291.371.151.480.981.081.251.130.990.991.161.181.070.991.151.090.841.000.660.780.880.830.891.050.650.850.820.790.720.920.911.04
PA(34:2)ME2856671.191.181.081.330.801.041.071.030.911.001.031.211.070.981.071.090.871.020.720.910.930.920.951.190.760.960.870.890.831.020.961.11
PA(36:3)ME2856701.161.251.151.310.921.181.221.120.990.951.071.241.051.081.051.060.861.010.700.860.710.900.921.250.760.870.760.940.790.940.871.06
PE(36:3)ME2856760.931.181.131.230.991.061.131.531.101.131.171.150.971.071.231.060.790.900.771.000.930.860.880.890.760.880.810.870.820.861.040.87
PS(O-36:1)ME2856990.921.091.131.030.961.141.201.711.061.071.191.091.001.131.351.161.020.900.710.960.680.910.800.880.790.800.830.860.970.890.900.89
PsychotrineME2857021.151.121.131.301.090.981.171.031.111.211.191.251.040.891.171.020.860.990.890.830.850.850.870.980.980.920.820.850.920.720.990.85
Imidazole-4-acetaldehydeME2856221.021.291.261.101.071.051.171.331.011.121.271.241.081.071.111.160.740.840.860.900.860.800.880.920.970.810.920.860.750.900.820.83
P-DPDME2856741.061.101.231.171.051.131.091.241.131.071.201.161.071.081.171.150.900.860.890.830.860.870.830.851.170.810.820.820.880.810.870.82
PS(O-16:0/22:1(11Z))ME2856971.331.281.351.271.291.271.541.611.141.311.151.331.181.401.391.340.580.710.660.700.710.710.760.670.730.690.670.580.590.640.740.66
Ala-Asn-Gln-GlnME2855181.261.321.281.391.220.901.131.351.261.001.461.241.351.341.271.300.650.820.720.710.910.740.700.851.010.700.620.630.660.740.800.69
PC(17:0/14:1)ME2856731.181.211.421.170.981.281.111.501.271.071.281.191.141.261.361.370.690.720.660.810.840.800.770.780.580.700.830.770.700.750.840.95
PI(40:3)ME2856931.161.171.191.281.181.101.161.461.231.181.061.201.221.241.321.090.760.790.860.810.990.860.740.800.840.810.740.790.660.810.720.78
DeoxycytidineME2855570.550.620.700.601.021.020.590.610.630.751.361.070.581.300.700.620.811.021.390.680.692.041.531.420.811.220.610.651.530.911.382.60
Lys-Lys-Trp-ProME2856381.180.750.600.310.870.700.640.131.070.550.340.121.140.530.310.151.051.151.420.971.431.831.051.521.211.341.311.091.351.291.361.68
PS(O-20:0/0:0)ME2856981.220.760.570.320.890.820.410.191.230.630.390.151.120.550.430.131.031.041.480.881.671.741.041.501.101.471.201.261.301.401.341.96
PhosphodimethylethanolamineME2856850.511.512.492.240.560.930.930.700.591.502.032.750.461.292.092.460.140.200.17NA0.130.140.160.16NA0.130.160.160.150.140.150.17
DihydrogenphosphateME2855660.361.481.992.120.380.720.760.710.431.101.842.400.411.141.751.99NA0.160.150.290.180.180.160.180.190.16NA0.150.12NA0.140.20
HomogentisateME2856150.411.391.761.940.370.670.750.510.431.121.721.940.360.921.371.84NA0.110.12NA0.11NANANA0.150.110.10NANANANANA
Nicotinate D-ribonucleotideME2856541.281.652.333.201.271.341.341.561.311.412.092.851.371.521.872.480.030.050.040.040.020.050.030.030.020.040.040.020.030.050.050.02
CDP-ethanolamineME2855440.832.102.762.800.851.211.351.450.871.462.352.760.881.482.192.550.250.260.230.260.250.270.250.270.260.250.260.250.260.270.260.27
PhosphonoacetaldehydeME2856870.571.962.862.970.521.101.020.840.581.592.803.210.561.582.383.010.090.180.230.130.100.100.090.110.090.090.080.090.100.110.140.10
L-AspartateME2856262.351.080.440.352.212.952.731.812.331.370.590.432.351.670.780.510.300.390.410.380.320.870.460.511.020.950.400.440.310.390.440.45
Ala-SerME2855221.760.470.470.541.892.462.933.831.830.830.770.711.761.201.010.990.500.540.520.620.510.530.510.480.540.480.530.580.460.620.550.56
Asp-GlyME2855331.920.730.660.601.722.202.623.721.831.031.141.051.771.351.271.220.400.440.410.450.380.490.480.550.380.460.470.470.370.410.510.51
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)ME2854710.490.640.680.830.561.181.422.010.740.711.161.310.640.951.321.35NANANANANANANANANANANANANANANANA
[PR] 1^-Hydroxy-4-keto-gamma-carotene glucoside/ 1^-OH-4-Keto-gamma-carotene glucoside/ (Carotenoid K-G)ME2854730.590.780.810.860.571.041.472.390.891.030.921.030.710.861.120.92NANANANANANANANANANANANANANANANA
Glu-AspME2856080.930.910.600.400.891.392.122.851.010.971.151.051.011.221.311.190.050.070.230.10NA0.150.050.03NANA0.190.02NANANA0.13
O-Phospho-L-serineME2856620.770.720.440.240.791.322.093.150.770.880.670.650.840.900.970.77NANANANANANANANANANANANANANANANA
S-Methyl-5-thio-D-ribose 1-phosphateME2857100.910.490.620.460.991.082.272.750.880.520.760.680.970.710.821.07NANANANANANANANANANANANANANANANA
O-AcetylcarnitineME2856590.760.641.101.800.781.121.944.420.850.931.241.951.010.991.661.990.580.260.550.680.740.300.450.670.920.430.430.650.560.360.470.62
PG(34:1)ME2856811.031.041.001.020.801.532.323.961.261.201.061.211.101.121.421.270.600.590.570.570.570.520.790.690.630.550.560.580.610.610.630.59
2-OxoglutarateME2854911.180.881.782.141.191.663.044.051.350.952.022.931.371.402.102.550.150.090.060.050.150.090.050.050.150.090.060.040.180.090.050.06
1-thio-beta-D-glucoseME2854831.411.161.161.361.131.462.224.881.361.071.351.531.321.141.341.640.180.100.070.080.190.090.100.070.210.170.07NA0.160.180.090.06
PG(36:2)ME2856831.131.221.431.390.891.722.443.941.581.651.541.961.321.391.951.880.290.290.280.260.260.310.350.250.350.270.260.290.250.310.290.26
PI(36:1)ME2856901.581.861.261.531.231.612.333.261.201.361.651.991.541.391.941.740.290.320.220.310.230.310.290.310.170.250.250.270.250.320.340.39
THTCME2857211.201.581.631.441.291.351.101.012.820.871.231.071.611.181.171.290.880.530.720.750.890.560.620.510.750.500.330.640.780.461.121.22
GlycerophosphoglycerolME2856111.691.431.651.421.481.581.772.251.571.481.821.831.571.711.861.990.300.320.300.330.280.280.310.330.320.310.270.340.300.300.340.29
D-myo-Inositol 1,2-cyclic phosphateME2855691.441.661.902.451.351.481.521.551.441.491.692.011.391.511.541.710.340.350.370.370.340.380.370.400.410.350.350.370.320.370.400.38
L-methioninamideME2856351.391.621.621.711.651.411.391.801.531.611.661.451.601.591.641.480.400.440.410.440.500.370.410.470.520.410.370.490.380.370.420.45
CDP-cholineME2855431.021.201.582.021.091.211.491.531.091.151.401.621.161.221.321.590.630.640.660.650.640.690.670.690.560.610.610.650.620.610.690.69
PI(36:2)ME2856911.251.471.201.260.931.451.862.510.981.211.271.631.291.151.611.450.550.680.520.650.570.500.590.770.450.620.620.480.490.600.650.72

Factors:

F1cell_type:iRBC | treatment:DHA | treatment_duration_(h):-
F2cell_type:iRBC | treatment:DHA | treatment_duration_(h):3
F3cell_type:iRBC | treatment:DHA | treatment_duration_(h):6
F4cell_type:iRBC | treatment:DHA | treatment_duration_(h):9
F5cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-
F6cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3
F7cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6
F8cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9
F9cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-
F10cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3
F11cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6
F12cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9
F13cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-
F14cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3
F15cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6
F16cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9
F17cell_type:unRBC | treatment:DHA | treatment_duration_(h):-
F18cell_type:unRBC | treatment:DHA | treatment_duration_(h):3
F19cell_type:unRBC | treatment:DHA | treatment_duration_(h):6
F20cell_type:unRBC | treatment:DHA | treatment_duration_(h):9
F21cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-
F22cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3
F23cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6
F24cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9
F25cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-
F26cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3
F27cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6
F28cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9
F29cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-
F30cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3
F31cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6
F32cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9
Data matrix
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