Clustering data with hclust algorithm for Peroxide antimalarial treatment timecourse on trophozoite-stage P. falciparum parasites (Study ST001201)

pHILIC NEGATIVE ION MODE (Analysis AN001999)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32
(S)-1-Pyrroline-5-carboxylateME2840650.440.490.400.290.430.420.410.400.460.530.530.420.460.320.350.311.191.611.121.031.803.491.251.061.451.421.080.921.694.241.411.24
UrateME2840230.170.150.090.060.110.080.100.060.210.110.090.070.200.090.170.081.421.391.040.951.824.441.000.901.820.770.640.701.707.921.091.31
FA methyl(16:1)ME2843164.440.861.260.720.870.950.740.920.880.820.680.700.730.860.740.880.910.810.790.830.740.831.130.780.800.790.660.970.930.760.880.76
sodium dodecyl sulfateME2843317.570.670.910.540.850.870.630.691.090.800.620.700.390.750.420.700.780.980.760.630.630.790.640.650.760.800.550.600.660.900.610.74
PhosphonoacetaldehydeME2841040.650.621.222.700.640.560.741.500.700.610.681.630.660.640.661.520.16NANANANANANANANANANANANANANANA
CDP-ethanolamineME2841411.111.111.322.231.011.021.251.401.041.131.351.451.091.041.121.350.200.250.280.230.260.310.240.250.300.270.270.240.21NA0.190.18
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol)ME2840621.251.441.401.071.321.241.291.231.131.211.241.071.361.291.361.110.140.200.250.27NA0.160.280.160.12NA0.100.110.260.170.180.17
FolateME2841441.021.011.031.121.010.931.071.031.031.081.071.121.361.010.961.210.64NANANANA0.32NA0.56NANANA0.270.27NANANA
dTTPME2843210.800.780.731.040.730.881.161.410.810.941.081.691.250.731.091.34NANANANANANANANANANANANANANANANA
PhosphodimethylethanolamineME2842440.960.991.151.310.980.981.081.311.000.921.011.251.051.041.131.340.06NANA0.06NANANA0.070.09NA0.07NA0.10NA0.070.08
N-Succinyl-L-glutamateME2840960.921.071.181.030.860.951.020.950.901.161.230.990.830.960.980.85NANANANANANANANANANANANANANANANA
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)ME2840450.741.081.211.130.790.901.041.250.780.891.021.070.970.901.031.02NANANANANANANANANANANANANANANANA
PG(40:5)ME2840200.861.171.110.910.850.901.031.230.940.981.051.110.780.991.021.030.20NANANANANANANANANANANANANANANA
PG(36:3)ME2841060.841.151.181.080.811.031.111.340.820.971.171.210.911.081.281.22NA0.02NANA0.02NANA0.02NANANANANA0.03NA0.01
PG(36:5)ME2841430.751.171.120.870.621.071.071.190.731.001.051.180.751.121.081.14NANANANANANANANANANANANANANANANA
Ala-Ala-Asp-TyrME2842131.161.000.620.261.150.961.201.251.151.221.240.791.051.081.180.88NANANANANANANANANANANANANANANANA
S-Methyl-5-thio-D-ribose 1-phosphateME2842791.230.880.870.971.320.900.871.031.271.000.941.021.230.860.871.01NANANANANANANANANANANA0.05NANANANA
Asp-Val-Pro-SerME2842330.951.011.040.980.940.981.081.110.930.991.021.081.250.951.151.12NANANA0.02NANA0.01NANANANANANANANANA
D-4^-PhosphopantothenateME2842011.141.050.790.810.981.001.051.091.071.030.920.961.480.961.060.92NANANANANANANANANANANANANANANANA
Glu-GluME2840351.131.250.960.630.951.020.980.981.081.331.070.851.420.970.760.76NANANANANANANANANANANANANANANANA
OrotateME2840421.081.270.960.681.021.051.170.901.011.120.980.761.061.121.240.76NANANANANANANANANANANANA0.11NANANA
IDP-D-mannoseME2840161.311.441.531.181.570.821.291.282.082.162.212.340.150.340.200.310.350.360.430.410.280.310.350.390.380.420.450.490.220.100.270.27
D-Mannitol 1-phosphateME2840831.441.481.541.571.521.301.521.481.741.831.821.830.851.161.051.200.510.510.530.590.540.480.540.580.660.630.660.690.400.290.410.44
ITPME2840181.421.421.451.301.591.071.491.412.172.201.962.120.490.780.490.790.520.610.410.660.610.530.630.650.800.730.740.780.500.240.460.56
IminodiacetateME2840812.362.051.240.712.271.791.440.761.941.931.250.702.441.901.650.730.360.450.490.540.380.430.500.570.520.570.590.610.270.240.410.45
(S)-DihydroorotateME2840241.992.061.350.921.941.621.470.991.581.601.430.951.741.811.780.870.440.550.580.580.470.480.520.510.590.580.660.580.350.340.410.45
(S)-LactateME2841501.341.251.522.021.341.161.642.121.311.151.482.081.361.221.822.150.420.430.450.520.420.420.470.540.410.410.420.520.460.400.480.56
PG(36:2)ME2840991.501.982.011.731.551.771.862.191.461.731.851.971.571.931.932.070.210.200.200.200.190.210.170.190.170.190.150.180.230.200.210.22
HydroxymethylphosphonateME2840721.671.782.031.781.681.541.811.951.531.571.711.671.931.911.922.070.240.170.190.190.210.200.280.290.250.200.220.250.270.160.190.25
PI(36:1)ME2841341.681.831.851.671.711.671.671.821.581.761.561.791.641.811.721.920.310.310.270.270.270.270.300.280.300.300.280.310.260.270.320.27
SinalbinME2841851.351.441.571.641.281.361.581.711.361.451.681.761.651.451.761.700.560.520.510.530.380.550.500.470.480.510.470.440.510.330.390.55
PG(34:1)ME2840511.411.871.761.571.421.571.652.051.341.541.591.781.411.681.761.840.410.380.360.350.350.380.350.340.330.320.360.320.420.400.360.41
PE(34:3)ME2840681.551.771.561.591.511.531.631.841.411.501.601.751.751.591.791.850.450.380.430.370.350.410.380.390.270.300.350.330.410.540.430.48
PS(36:3)ME2842571.531.611.641.581.511.601.561.811.421.511.591.711.551.661.731.920.370.440.360.410.390.380.440.390.390.410.420.420.380.360.410.40
Asp-GlyME2842551.731.541.140.681.651.521.821.891.811.751.631.321.831.561.621.250.500.440.460.460.510.460.510.450.540.490.480.540.580.440.480.48
Hydantoin-5-propionateME2842221.421.461.060.771.431.421.931.741.591.952.001.500.941.421.311.130.520.590.500.550.610.560.580.570.650.640.700.680.520.400.500.47
Glu-GlyME2842751.391.390.760.571.531.411.851.571.572.251.731.170.951.671.390.970.580.640.590.610.700.670.550.700.710.810.670.670.580.530.570.55
N5-formyl-N5-hydroxy-L-ornithineME2841631.541.490.710.621.501.391.791.661.662.431.521.371.211.721.431.200.580.660.570.580.590.590.600.600.620.580.550.530.610.500.520.56
3-(4-Hydroxyphenyl)lactateME2840411.571.621.601.471.391.351.641.431.521.731.681.561.361.501.581.490.380.440.450.350.451.130.400.360.480.450.430.370.391.220.420.35
2-deoxyglucose-6-phosphateME2840261.421.480.711.481.371.171.411.400.821.591.541.641.151.341.371.320.610.740.690.680.730.770.680.690.780.800.800.740.640.570.580.58
S-Adenosyl-L-methionineME2840821.181.241.482.011.051.091.371.641.191.271.361.691.291.071.361.670.620.640.560.650.610.730.590.600.660.530.670.670.700.820.690.58
O-Succinyl-L-homoserineME2841561.541.231.141.361.531.141.261.351.471.471.391.371.401.121.221.280.550.490.560.500.740.630.470.360.640.680.540.560.360.660.390.38
(R)-2-HydroxyglutarateME2840591.341.411.411.521.301.211.441.431.261.411.391.441.351.351.501.460.520.680.550.610.700.660.620.620.720.760.690.670.600.500.580.56
Cyclic ADP-riboseME2840631.391.431.461.531.331.241.481.441.451.531.541.571.261.241.291.330.560.590.620.590.630.630.600.600.650.670.700.700.540.520.510.51
HEPESME2840771.411.461.401.521.411.271.481.371.431.471.511.481.301.331.411.370.650.600.550.600.570.560.560.640.670.550.540.800.610.560.580.59
PS(34:1)ME2841571.331.461.401.271.421.351.261.471.351.411.271.341.251.391.241.330.650.710.610.640.630.620.690.640.710.730.760.750.520.560.630.52
PI(36:2)ME2840981.281.511.511.421.381.341.241.501.271.381.401.371.281.471.471.480.630.630.560.610.620.550.710.600.600.580.600.560.580.630.720.65
PS(36:2)ME2841621.281.391.361.381.361.291.221.481.211.311.181.331.201.441.441.510.670.710.630.690.620.640.680.640.650.700.700.700.630.660.760.62
D-Glucose 6-phosphateME2841321.491.441.571.541.491.311.521.421.611.461.591.571.291.411.611.340.540.520.630.540.540.490.540.510.580.510.600.530.510.500.550.51
sn-glycero-3-Phospho-1-inositolME2840711.521.641.471.281.521.421.521.451.711.671.541.441.451.371.301.220.500.550.570.540.560.540.550.500.670.550.610.500.510.560.500.46
deacetylcolchicineME2841511.541.601.341.321.471.481.431.341.431.381.261.211.491.551.581.470.690.590.620.590.590.510.600.580.600.520.590.590.590.500.590.56
PG(36:1)ME2840741.531.771.541.241.451.531.471.741.401.421.391.391.451.681.501.510.530.500.540.520.480.520.480.450.440.450.430.420.560.590.600.54
UDPME2842191.662.371.841.861.362.282.131.701.402.372.101.672.062.291.931.310.150.120.130.140.170.190.120.140.150.160.100.120.130.150.110.15
2-OxoglutarateME2841052.011.902.032.311.951.692.042.141.721.701.681.762.442.062.412.430.020.040.020.020.040.100.030.020.060.050.040.030.020.070.020.02
UTPME2842821.701.861.942.261.661.902.312.181.742.032.162.311.921.902.142.120.030.030.040.030.040.040.030.030.040.040.040.040.030.040.030.03
Aspartyl-L-prolineME2841792.542.060.780.132.541.932.812.652.682.752.171.452.152.071.971.210.050.040.040.050.040.050.040.050.040.040.040.050.040.050.040.07
Thr-GlyME2842621.841.380.650.341.871.372.322.452.162.212.201.561.591.551.961.450.110.110.090.140.100.110.120.180.160.100.140.120.130.180.090.17
Ala-Gly-SerME2842691.271.170.520.341.501.181.651.721.602.251.771.431.071.281.831.120.120.200.160.160.210.180.190.150.220.190.140.140.170.130.170.13
Pro-HisME2843171.541.350.340.321.621.501.971.681.773.071.541.291.191.911.521.050.310.290.250.390.230.230.360.310.280.360.250.220.310.290.260.29
PhenylpropanoateME2840140.792.990.821.040.800.881.000.850.550.590.590.611.331.181.531.180.980.901.410.790.811.080.950.930.600.570.540.601.171.431.241.18
6-MethylpretetramideME2842150.881.060.700.350.921.020.960.691.201.421.211.130.660.470.400.340.491.230.470.991.621.690.991.062.162.571.731.680.570.590.410.50
XylobioseME2841830.970.910.940.950.970.850.970.951.311.311.351.430.380.570.430.540.931.071.091.071.221.051.101.051.531.331.651.560.460.370.490.52
CMP-N-trimethyl-2-aminoethylphosphonateME2840461.031.021.160.811.200.861.031.131.541.511.571.600.290.640.290.670.771.000.641.050.990.851.030.961.361.311.381.310.700.290.710.66
P-DPDME2840520.990.971.050.781.080.820.931.071.441.431.471.500.380.700.390.700.751.030.661.111.101.031.011.071.551.361.521.390.650.370.640.64
2(alpha-D-Mannosyl)-D-glycerateME2841230.850.820.750.820.860.740.860.721.241.361.361.210.220.300.230.271.051.071.161.101.461.351.181.301.961.951.732.030.360.270.340.35
N-AcetylneuraminateME2840310.970.760.721.030.990.610.900.821.401.471.551.650.130.140.160.121.260.981.461.071.481.120.971.121.891.722.072.160.120.160.140.13
SedoheptuloseME2842500.680.720.710.810.640.710.690.680.490.520.510.540.990.860.940.841.331.321.401.131.271.801.121.110.760.800.760.691.762.761.541.53
D-ArabinonateME2842060.650.670.720.870.580.640.640.610.390.490.440.410.930.850.910.841.481.430.931.310.811.571.431.340.930.890.890.801.882.181.871.83
PIP(38:4)ME2842610.660.710.650.580.630.710.630.680.530.530.470.430.860.770.580.671.231.451.181.111.141.791.461.480.891.210.940.891.552.141.691.57
cis-AconitateME2841940.480.540.510.430.560.520.490.420.620.630.620.380.540.480.540.411.161.781.170.781.632.311.381.321.671.521.190.921.862.531.681.38
CitrateME2841730.500.480.480.380.390.450.450.390.350.500.410.320.640.540.570.451.381.591.461.421.561.861.541.391.341.271.160.981.932.351.871.76
D-ErythroseME2841030.570.630.450.480.700.560.580.530.640.570.510.480.550.510.450.531.020.990.921.211.681.521.802.161.581.551.261.801.321.091.301.63
D-MannoseME2840390.470.560.320.380.650.460.510.470.620.490.450.400.370.430.350.431.040.920.831.181.931.621.942.471.711.631.232.011.530.751.371.83
FagomineME2841870.620.540.530.840.810.510.610.610.300.230.560.600.660.590.810.641.751.351.811.341.511.301.321.211.191.011.171.341.391.731.231.54
1,4-LactoneME2842390.650.680.610.590.680.670.670.610.740.700.650.600.570.600.620.631.111.191.141.191.571.481.591.551.471.460.951.621.291.031.121.60
D-XyloseME2840910.710.770.640.760.720.690.840.710.680.810.600.640.720.600.740.631.200.951.251.081.651.331.351.571.271.311.431.281.191.191.071.42
N-Hydroxy-L-tyrosineME2841550.820.900.700.660.850.830.720.610.840.860.640.580.880.840.810.651.191.391.061.011.311.741.310.991.111.341.201.041.361.621.190.91
3-DehydroquinateME2842450.630.610.620.640.560.600.560.570.540.550.520.480.690.700.750.701.281.351.601.361.351.541.301.431.241.151.111.191.441.901.481.58
N-AcetylornithineME2842360.680.710.690.670.590.700.630.630.570.610.590.580.870.740.790.681.271.301.481.181.361.501.411.261.211.171.201.201.401.741.331.31
Succinate semialdehydeME2841450.720.770.700.750.540.700.720.620.590.720.640.570.890.720.820.661.251.251.571.211.311.521.261.211.181.161.011.081.441.721.451.35
PsychosineME2842810.590.630.580.590.620.640.550.610.600.500.500.430.660.660.670.621.411.451.361.321.421.261.541.331.381.581.511.311.271.411.441.34
LPA(18:0)ME2841660.840.890.730.580.950.830.680.630.900.770.620.470.770.740.700.561.181.271.161.141.231.301.451.221.241.361.291.151.191.371.351.16
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphateME2842540.660.770.660.550.790.760.630.520.770.690.660.450.720.660.600.461.091.321.281.301.371.441.441.411.361.471.331.391.171.391.381.25
[SP] Sphing-4-enine-1-phosphateME2841600.880.710.720.680.850.770.630.650.860.680.610.700.910.670.720.611.481.311.241.141.511.251.161.091.541.341.291.291.281.311.130.96
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanoneME2841350.720.760.740.810.730.690.740.710.740.840.810.780.660.680.700.661.221.251.451.221.351.251.181.201.541.411.361.431.051.101.021.05
(2R,4S)-2,4-DiaminopentanoateME2842920.730.730.740.760.680.760.710.750.730.810.770.780.660.700.680.681.161.331.341.241.311.321.251.221.361.301.391.281.131.161.181.09
QuinateME2840900.730.770.740.830.640.680.780.660.690.800.780.770.690.660.810.661.261.311.501.171.321.331.241.231.341.271.221.271.101.301.171.10
D-RiboseME2841380.680.730.740.710.680.670.690.670.640.730.680.660.600.730.730.721.211.271.341.361.231.231.291.391.251.261.171.291.361.211.361.45
TaurineME2842400.740.760.680.610.710.740.720.640.710.720.690.640.720.740.750.641.211.261.271.221.331.391.301.321.281.201.231.241.391.451.311.33
(3S,5S)-carbapenamME2841990.710.730.630.770.600.690.750.600.710.700.720.670.720.640.720.611.291.421.591.201.331.371.251.271.211.311.191.311.181.431.271.25
DL-2-AminooctanoicacidME2841520.760.770.700.840.680.720.740.680.640.700.630.660.880.740.940.781.271.291.481.191.351.341.211.221.171.141.081.191.271.421.181.30
(S)-CarnitineME2841750.800.800.730.820.700.750.730.680.620.680.650.650.780.780.950.781.261.301.481.191.271.341.211.191.191.141.081.061.231.471.241.31
AMPME2842860.680.600.660.690.670.620.680.680.690.700.670.730.660.630.610.611.151.341.261.351.321.551.261.421.281.531.351.541.181.431.021.22
3-(ADP)-glycerateME2842640.680.710.740.720.690.710.720.640.660.760.720.700.600.780.760.781.191.271.141.181.461.651.221.151.381.351.221.391.241.611.161.04
nicotinamide guanine dinucleotideME2840640.750.770.740.750.760.660.780.710.820.890.840.860.670.680.690.631.151.301.261.101.501.511.241.051.481.391.401.181.081.510.900.91
D-Sedoheptulose 7-phosphateME2842380.690.650.730.670.750.640.670.640.680.600.640.600.520.770.780.721.191.191.451.511.201.111.341.541.361.381.441.700.990.841.111.41
L-ArabinoseME2842970.560.510.640.640.860.530.600.640.710.620.750.670.570.460.540.530.931.421.421.221.501.261.441.551.591.701.781.690.970.971.061.46
Asn-Met-Thr-AspME2840780.510.590.510.520.580.520.510.640.500.560.500.730.510.630.560.671.531.311.421.471.491.261.431.531.651.121.381.461.741.201.311.37
octulose 8-phosphateME2842760.580.560.600.610.610.570.580.560.530.590.580.540.380.640.550.591.361.351.511.571.241.151.501.601.411.361.421.551.340.991.481.52
Arg-Phe-Phe-ArgME2840540.470.470.420.430.490.480.370.360.530.610.550.530.340.410.210.311.251.391.341.371.461.311.401.511.821.851.711.731.290.871.081.18
Asp-Gly-Pro-SerME2841700.520.530.560.570.520.490.490.540.550.570.600.560.460.550.500.521.371.471.441.521.611.541.361.371.651.471.541.671.361.391.141.29
L-ErythruloseME2842280.590.560.530.530.610.550.470.480.550.590.460.490.590.620.530.511.341.451.441.531.531.431.381.551.741.641.501.631.041.031.241.47
N-AcetylanthranilateME2840431.091.090.790.741.110.910.750.731.201.310.950.830.720.830.650.591.211.310.890.881.391.410.890.891.471.350.970.991.181.180.790.79
2-C-Methyl-D-erythritol 4-phosphateME2842230.740.580.640.681.190.560.740.541.050.820.860.730.610.670.600.531.461.261.121.331.511.271.030.941.901.801.121.880.951.060.861.11
N-Acetyl-D-fucosamineME2840210.840.930.800.731.000.730.850.801.001.051.091.080.670.790.480.581.061.201.171.211.201.141.111.171.531.491.551.410.790.610.790.78
PyruvateME2842080.770.770.670.730.850.740.800.730.921.010.960.980.560.530.560.571.021.031.021.171.461.301.341.521.591.531.411.640.910.640.791.03
Carbamoyl phosphateME2840151.241.210.411.261.180.400.551.330.751.340.721.411.121.141.121.101.220.751.380.461.381.491.351.550.610.830.850.640.450.420.461.23
glutathione-sulfiteME2840751.401.330.870.821.101.151.110.780.710.920.740.710.931.060.960.931.160.960.800.790.791.181.130.870.721.160.870.842.041.101.080.77
ChitobioseME2840580.940.890.890.971.050.760.840.870.930.760.710.730.491.060.900.971.211.141.041.250.861.041.121.130.950.930.840.881.431.261.261.57
Glu-CysME2840290.820.850.930.800.950.680.780.830.840.890.940.810.500.890.720.851.161.161.101.310.940.911.241.330.890.901.041.011.411.021.531.58
Monomethyl sulfateME2842240.680.810.911.030.780.780.970.870.600.790.810.730.790.941.281.200.901.201.481.230.850.991.161.190.770.870.961.301.201.161.401.43
Ovothiol disulfideME2842170.800.940.840.920.740.910.810.810.470.760.680.781.020.961.160.911.231.301.301.210.950.961.291.210.660.940.600.951.241.361.441.40
(R,R)-Tartaric acidME2842730.750.850.970.820.810.860.870.800.620.870.830.650.910.961.060.951.111.251.261.211.061.101.161.090.930.920.850.851.351.441.531.35
Asn-Asn-Gly-HisME2842931.111.091.021.061.171.141.130.900.860.640.600.541.781.561.761.520.920.911.060.890.851.090.891.030.600.410.420.461.081.451.421.15
1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- D-mannosyl-1,2-alpha-D-mannosyl-D-mannoseME2841330.991.041.121.230.860.951.071.110.670.780.760.681.421.351.521.380.930.961.050.990.890.960.950.980.640.700.680.681.121.371.191.36
Ala-Cys-Pro-SerME2842481.061.041.071.271.131.021.091.100.680.570.610.611.491.571.781.521.010.881.161.040.820.720.880.980.660.570.570.671.001.201.171.36
1-(5^-Phosphoribosyl)-5-amino-4-imidazolecarboxamideME2840891.071.000.990.951.060.881.050.800.750.921.070.801.001.221.011.251.021.051.051.100.951.170.971.050.741.180.430.531.131.510.941.17
[6]-ParadolME2843060.910.811.001.000.960.870.910.910.950.770.780.811.141.171.201.180.961.151.111.081.031.031.101.160.980.740.780.771.101.221.221.31
PS(39:4)ME2841720.951.061.061.021.050.990.911.060.710.750.710.721.241.231.221.170.941.041.001.050.981.031.070.940.800.890.800.711.161.501.231.13
D-GlucarateME2841860.840.930.931.020.790.880.930.860.480.590.560.511.211.251.451.141.031.211.141.071.061.121.171.070.910.880.840.731.341.561.381.44
Cys-Gly-Pro-SerME2842420.941.010.860.810.860.990.980.810.610.670.670.561.451.301.541.071.111.101.381.081.061.081.031.040.700.580.630.651.321.781.441.46
Thiourocanic acidME2842700.900.920.921.150.830.930.910.900.620.540.550.581.471.281.541.301.121.071.341.081.071.060.991.100.720.640.700.681.201.661.331.42
4-NitroanilineME2842301.141.070.901.001.021.040.970.790.560.660.580.531.161.211.391.081.291.151.150.971.061.181.050.820.710.720.670.681.681.431.191.18
Imidazole-4-acetaldehydeME2840401.011.241.071.080.871.021.160.930.530.570.660.681.111.481.651.311.100.911.130.930.650.991.070.900.580.710.710.791.271.681.491.11
NicotinamideN-oxideME2840301.091.261.011.030.951.021.120.890.520.640.620.581.231.351.571.271.190.820.980.950.971.180.960.850.650.670.680.751.561.561.321.06
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinateME2840170.891.120.961.160.840.761.110.720.811.110.911.050.680.970.951.130.741.231.080.841.661.101.100.610.811.421.171.560.901.040.461.39
[FA (20:1)] 11Z-eicosenoic acidME2843332.120.791.320.790.961.090.810.870.830.950.600.840.681.140.721.081.051.030.980.750.971.021.041.090.950.961.050.920.891.061.000.87
Ala-Asp-GlyME2843300.910.910.920.910.931.151.001.141.131.511.341.240.720.780.500.730.730.990.860.891.161.151.201.071.141.431.341.080.770.490.800.69
HydroxypyruvateME2842310.921.011.011.021.050.990.961.041.080.701.161.090.730.830.901.001.020.910.820.991.011.061.001.011.351.131.181.181.180.611.120.78
5-HydroxytryptophanME2843140.840.810.800.870.870.890.901.010.890.980.920.990.660.720.690.830.931.040.991.161.091.241.301.241.091.351.351.251.010.761.051.03
2-(Hydroxymethyl)-3-(acetamidomethylene)succinateME2841580.840.800.870.760.960.750.840.931.011.030.980.990.620.790.650.780.961.160.891.211.131.121.201.231.381.221.261.391.090.830.921.13
N-(2,3-Dihydroxybenzoyl)-L-serineME2842140.820.810.900.750.950.780.860.881.001.051.020.960.640.820.640.770.901.170.951.171.201.171.251.181.311.401.291.331.020.730.941.00
N-Heptanoylhomoserine lactoneME2843191.080.930.951.080.791.050.951.060.901.141.161.200.850.680.650.700.810.861.161.160.910.941.121.261.271.071.171.360.690.760.710.98
CoAME2842891.001.091.020.991.071.130.941.171.081.181.031.090.890.820.670.870.910.880.890.980.940.931.101.181.131.201.171.250.760.630.730.76
HeptopyranosidesME2842900.920.860.931.000.870.890.930.941.010.961.161.291.000.840.850.870.951.061.061.031.221.011.101.121.121.131.151.310.860.940.800.89
D-Glucose 1-phosphateME2842260.920.920.960.910.900.890.940.920.971.021.021.020.820.870.830.820.981.031.021.051.121.071.041.251.241.331.211.200.920.850.900.88
N-Acetyl-D-glucosamine 6-phosphateME2840930.970.940.930.960.980.841.000.901.071.141.121.060.650.790.720.691.020.991.041.051.211.091.061.081.301.271.231.380.850.750.790.81
UDP-glucuronateME2841710.920.920.950.940.970.860.950.941.011.171.061.070.660.850.780.830.921.080.981.101.131.081.061.111.271.251.151.270.910.790.850.89
N3-fumaramoyl-L-2,3-diaminopropanoateME2840950.951.010.990.941.000.890.981.001.101.161.181.110.660.870.760.850.931.050.911.031.041.051.051.031.241.171.191.100.930.790.910.88
VicineME2840490.991.061.020.881.040.890.980.971.141.071.201.180.720.990.790.830.910.980.841.051.031.051.011.071.211.091.221.160.870.780.930.91
(-)-Menthyl O-beta-D-glucosideME2841240.981.021.000.970.910.920.950.961.051.121.101.190.890.850.790.780.971.001.071.001.181.001.031.031.301.211.231.280.750.820.790.75
3-beta-D-Galactosyl-sn-glycerolME2841471.001.031.031.031.000.951.031.021.081.201.131.180.780.860.850.860.930.991.050.971.030.981.010.991.141.091.211.170.810.750.820.83
[FA hydroxy(18:0)] 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acidME2842211.021.030.991.031.060.990.941.001.311.051.101.120.930.830.850.880.931.001.000.981.090.960.990.891.171.121.261.240.810.710.850.87
A-KetoglutaricacidoximeME2841160.800.920.950.920.840.831.070.980.811.041.241.110.730.810.740.860.871.051.081.051.041.111.181.161.061.501.381.360.830.770.860.86
ChelilutineME2842910.860.840.880.930.920.870.960.941.091.301.231.250.730.730.660.780.931.101.081.061.221.141.011.121.391.401.261.280.740.720.670.79
TrimethylaminoacetoneME2841530.860.920.851.020.870.860.920.850.951.021.030.960.710.800.780.731.071.071.301.051.231.091.111.111.391.311.291.460.730.900.750.77
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetateME2842200.901.051.060.831.001.020.890.790.871.061.120.890.781.351.041.281.001.241.260.941.001.101.160.791.100.841.030.630.831.210.891.04
Clavulanic acidME2840851.021.211.200.801.161.071.070.690.971.121.020.920.901.140.920.871.121.030.910.701.030.991.060.911.231.321.180.830.920.891.040.71
H2S2O3ME2843051.001.061.080.781.201.131.010.780.981.241.030.771.051.201.010.880.991.530.960.810.941.000.970.830.940.980.970.811.111.050.980.86
Icosatrienoic acidME2843041.511.070.960.810.921.130.960.971.310.980.970.881.191.110.940.870.821.000.820.841.030.931.181.001.191.000.920.920.941.130.850.93
2,3,4,5-TetrahydrodipicolinateME2841251.061.200.900.930.901.090.981.040.661.151.080.920.711.201.020.931.000.950.990.930.941.221.041.100.821.430.920.810.911.030.980.78
LysoPE(22:5)ME2843220.931.060.950.911.021.201.040.910.870.810.790.940.780.881.090.951.011.190.991.000.841.051.140.990.840.930.941.031.390.991.171.02
PE(18:1)ME2843130.860.940.830.810.911.040.850.950.790.810.720.720.781.040.950.961.101.231.051.010.971.171.371.090.840.920.970.941.211.241.411.16
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acidME2841000.810.900.930.880.790.800.850.820.750.900.940.800.640.830.930.831.111.241.291.061.221.451.090.991.070.990.880.961.181.681.171.13
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoateME2842670.820.891.120.950.920.900.941.010.830.951.090.990.771.010.620.871.201.070.951.161.031.021.010.941.071.191.111.060.930.851.361.09
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acidME2842870.890.890.880.821.020.920.870.911.030.890.710.780.881.000.710.721.111.231.141.081.091.001.091.061.091.111.221.241.001.121.341.02
5-OxoprolineME2840761.060.840.830.911.020.730.840.880.950.820.790.891.110.810.920.911.181.071.091.121.191.051.051.161.231.061.031.111.181.021.041.18
Met-Met-MetME2840660.840.890.921.020.900.770.890.870.950.970.940.920.770.930.850.831.041.091.181.131.141.071.111.131.251.161.151.250.900.971.021.00
D-Glucono-1,5-lactoneME2841590.870.940.960.910.850.880.900.860.840.980.970.900.880.920.950.881.011.131.091.041.191.231.071.051.271.191.131.091.021.070.960.97
N-Acetyl-D-glucosamine 1,6-bisphosphateME2842710.870.840.920.980.830.850.950.880.840.980.940.960.890.890.860.811.001.061.141.071.211.201.091.161.121.171.141.201.021.030.951.09
phe-FMDPME2841890.800.880.920.980.910.830.900.910.880.870.930.810.900.880.960.921.081.151.191.131.151.141.161.001.251.061.000.981.161.141.100.94
beta-D-SedoheptulopyranoseME2840440.880.970.930.940.870.810.890.880.860.960.920.870.820.920.870.771.061.141.261.081.141.131.111.071.121.011.031.011.071.211.121.14
L-AspartateME2841680.830.900.840.940.850.840.900.860.850.880.880.850.850.860.940.861.051.021.111.061.181.121.211.271.121.051.051.141.171.081.131.24
3-ureidoacrylateME2841840.910.880.900.890.870.830.860.910.850.940.950.920.830.860.850.891.021.141.101.121.101.121.141.121.141.101.111.061.141.091.131.12
OrotidineME2841490.890.890.890.880.840.820.820.910.840.910.930.890.820.850.870.901.041.131.091.161.141.171.131.131.151.111.101.101.131.111.131.15
Ala-Phe-Tyr-TyrME2843110.850.800.810.820.860.880.840.810.810.910.800.870.890.850.670.691.221.151.091.111.161.191.201.191.261.191.231.111.191.061.211.12
IndoleacrylicacidME2842740.810.840.800.900.750.860.810.790.690.750.740.740.870.880.970.871.191.211.431.141.191.201.161.161.101.111.081.091.121.341.131.18
D-Gluconic acidME2841300.830.880.890.840.780.800.840.820.760.840.850.820.850.860.880.811.091.161.211.131.201.231.171.141.211.161.141.131.181.161.121.14
D-GlucoseME2841690.780.850.830.930.760.800.830.780.730.800.830.750.800.800.850.871.161.261.211.141.171.311.141.131.211.151.211.151.151.251.101.16
IMPME2841141.181.120.971.141.051.011.060.981.091.080.941.031.281.031.171.030.890.820.841.011.041.110.841.050.970.810.640.790.821.200.971.29
N-BenzyloxycarbonylglycineME2842371.020.981.021.160.840.961.090.940.950.891.061.141.330.991.191.090.910.851.041.001.150.971.091.070.970.810.891.150.781.060.881.02
PhenolsulfonphthaleinME2842181.130.940.911.210.990.900.991.051.180.870.991.411.290.921.191.180.920.920.980.911.080.910.971.121.010.790.861.200.701.010.781.06
IndoxylsulfateME2840530.981.031.140.990.860.871.020.981.050.840.900.910.830.931.071.230.911.031.010.931.080.940.941.151.540.830.920.850.971.081.031.21
[FA (23:0)] tricosanoic acidME2842431.181.141.260.931.081.120.861.021.060.830.670.800.521.070.871.150.970.931.051.040.921.040.941.020.870.850.961.010.961.221.120.90
Docosanoic acidME2840801.141.001.280.851.110.870.790.970.860.880.731.020.911.490.750.911.400.960.930.980.910.990.951.000.790.811.011.261.081.170.951.00
Tetracosanoic acidME2841081.471.081.170.791.090.960.850.940.980.890.710.780.881.050.801.021.190.961.000.881.021.100.931.070.970.920.930.921.051.310.910.90
FA (20:0)ME2842601.071.041.040.851.101.030.911.100.930.800.790.910.911.230.840.981.181.050.930.910.911.040.961.070.881.020.931.061.091.121.100.93
Hexadecanoic acidME2843121.110.991.050.831.091.090.881.110.860.890.770.950.941.270.800.941.211.030.980.880.920.950.981.070.850.960.971.171.161.041.090.87
Octadecanoic acidME2843031.091.001.040.841.121.060.891.130.870.870.740.940.891.270.790.921.241.070.980.900.860.980.971.060.830.950.961.121.161.101.130.87
FA (17:0)ME2842411.411.001.100.901.020.980.821.000.960.850.760.820.911.110.851.011.071.080.990.980.900.961.031.020.950.940.970.971.111.021.170.99
[FA (18:1)] 9Z-octadecenoic acidME2843071.391.011.050.881.051.080.941.100.970.910.880.941.051.070.881.001.040.990.891.010.920.941.031.000.920.920.991.070.940.920.970.87
PI(38:5)ME2840880.951.071.191.021.200.940.951.131.101.101.111.220.770.900.831.090.901.030.850.970.980.870.950.981.081.101.071.100.750.790.990.75
Asn-Cys-CysME2843021.111.061.120.981.171.120.981.051.121.101.031.080.871.030.951.010.930.920.911.000.860.811.011.020.861.121.071.000.860.570.901.08
vanillylamineME2843250.930.931.091.021.111.060.951.101.050.971.161.050.980.900.821.070.950.940.901.040.960.921.031.120.991.120.971.040.800.820.941.02
FA (20:4)ME2843151.051.000.990.971.081.101.071.161.180.980.840.841.041.001.011.081.000.920.900.891.001.021.010.990.931.001.010.950.990.881.120.84
PA(36:3)ME2842321.051.121.090.951.101.090.971.080.961.010.900.861.141.270.991.141.021.000.900.860.930.991.010.960.880.910.960.900.960.991.020.88
PA(36:4)ME2841951.021.171.040.911.041.110.921.021.041.100.920.851.051.230.921.050.960.980.880.930.931.051.000.971.071.031.040.911.010.841.080.91
PI(32:1)ME2842490.991.131.121.021.091.121.061.130.961.090.950.910.931.181.121.200.901.030.960.890.960.890.990.940.900.830.930.930.860.930.970.84
PS(38:6)ME2841291.051.241.041.101.041.131.021.161.071.000.930.991.091.161.161.220.880.940.890.950.810.920.950.890.810.910.880.810.921.161.020.94
Stealthin CME2841391.021.131.151.201.011.031.121.121.040.881.151.161.051.091.181.120.860.920.970.920.970.870.900.881.010.940.920.940.820.930.870.90
MiroestrolME2841151.171.151.041.031.141.031.031.001.051.131.010.941.161.151.141.100.970.940.940.950.910.840.940.940.900.960.910.900.990.870.940.97
PE(36:2)ME2842951.061.021.101.101.041.061.031.021.060.990.971.041.151.051.161.110.980.970.950.950.930.960.900.940.960.950.880.890.991.010.911.00
PE(36:3)ME2842681.061.031.061.101.041.031.011.020.950.960.980.981.101.051.141.121.031.000.980.950.931.000.910.940.880.920.920.910.981.070.981.05
PS(38:5)ME2842091.001.091.071.011.031.040.961.121.091.060.991.060.921.030.991.090.941.010.860.940.940.921.010.970.981.051.051.090.820.861.000.89
PE(40:5)ME2842771.081.031.151.031.131.051.051.081.121.151.081.071.021.060.971.110.970.950.920.940.900.900.910.910.921.050.870.870.910.980.920.90
6-Phospho-D-gluconateME2842351.020.991.071.101.050.971.101.051.061.111.101.120.951.061.031.040.870.970.960.970.970.950.950.990.990.980.951.010.920.860.860.93
GDP-L-fucoseME2841641.051.051.071.141.000.981.051.041.091.061.061.090.941.031.061.000.920.971.000.950.960.940.950.990.980.950.950.940.950.920.920.95
3-Phospho-D-glycerateME2842471.091.101.101.221.071.091.121.170.971.121.041.081.221.191.081.170.860.860.870.950.840.920.850.970.890.980.861.010.850.770.750.89
GlyoxylateME2841821.091.141.111.271.031.071.131.231.011.111.041.131.281.171.051.250.830.800.910.940.790.860.871.010.870.980.901.110.780.720.680.88
Cys-Leu-Cys-TyrME2840871.101.121.111.081.170.991.151.061.161.161.131.130.961.001.031.150.950.890.960.950.860.780.880.821.020.880.901.120.890.940.870.89
N-Acetyl-beta-D-glucosaminylamineME2841021.141.211.231.211.081.081.201.201.141.191.171.160.911.151.111.170.780.810.870.890.810.790.850.930.920.920.820.950.810.760.800.78
Ala-Thr-Ala-GlyME2841611.081.051.071.081.080.981.091.171.081.191.211.210.920.991.040.970.870.890.930.930.950.950.920.941.011.130.940.970.830.810.900.76
UDP-glucoseME2841461.131.151.161.201.091.061.151.131.171.221.231.191.001.030.991.100.830.880.870.870.920.920.870.851.001.020.980.930.780.730.760.75
CichorineME2840220.791.160.981.100.980.900.950.850.860.920.860.941.180.901.031.061.061.061.230.991.071.111.261.020.980.820.711.060.881.041.031.03
PG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME2842530.811.131.141.001.011.120.941.200.961.071.060.920.731.130.771.030.781.001.011.060.870.951.060.990.850.990.970.981.010.951.071.07
D-GlycerateME2841371.031.200.960.941.001.100.920.930.871.120.900.841.231.281.050.991.061.041.010.901.081.040.900.881.091.120.900.891.160.940.990.83
Pyridoxine phosphateME2841100.911.150.950.950.861.031.000.820.861.210.980.821.061.061.000.861.051.101.100.941.071.220.991.000.991.200.950.950.911.140.960.96
3-phosphoglucarateME2842960.900.850.941.071.020.891.001.010.931.040.921.011.090.970.911.030.891.000.931.141.091.021.051.161.081.080.981.280.910.840.831.08
D-GalacturonateME2840330.901.040.960.951.020.850.980.970.870.950.970.870.810.951.000.930.940.970.891.001.131.141.151.151.231.130.971.161.030.900.971.02
N,N-DimethylglycineME2841930.970.940.940.971.020.890.970.960.900.950.910.890.921.040.981.051.000.991.031.061.000.901.121.211.031.021.041.121.040.801.051.13
2-Amino-9,10-epoxy-8-oxodecanoic acidME2843010.880.970.961.090.881.021.010.880.870.961.000.950.850.991.020.881.031.081.151.011.121.121.010.961.151.181.161.120.881.080.830.85
[FA (16:4)] hexadecatetraenoic acidME2842800.970.980.980.961.041.000.921.011.141.011.040.911.041.070.971.000.960.991.030.961.120.971.021.000.981.111.140.960.890.961.030.93
[FA] Methyl jasmonateME2842070.880.960.971.030.940.920.991.050.990.961.051.201.010.940.891.051.001.051.031.071.111.050.931.000.911.011.121.140.950.950.940.91
Ganglioside GM1 (d18:1/24:1(15Z))ME2840271.071.001.011.031.020.790.980.991.141.001.011.131.020.870.800.900.960.971.001.110.980.991.041.051.061.001.041.050.970.940.991.00
(S)-AMPAME2840550.960.991.011.080.930.841.001.001.040.931.030.990.920.781.010.890.961.041.091.021.031.021.001.051.150.981.101.101.060.980.971.02
N,N^-DimethylureaME2841480.930.990.961.050.880.910.940.951.041.021.061.021.120.930.940.920.920.991.151.051.051.011.031.101.161.021.061.120.890.960.971.03
5-ValerolactoneME2842460.960.950.960.960.910.940.970.971.031.041.051.070.970.850.870.840.951.051.041.061.131.071.051.041.161.151.171.180.850.880.890.93
[FA oxo(8:1)] 5-oxo-7-octenoic acidME2842940.940.950.940.950.910.990.980.981.001.041.061.050.950.880.850.880.941.041.031.041.121.061.061.071.111.131.151.170.880.910.910.94
2,7-Anhydro-alpha-N-acetylneuraminic acidME2840840.961.000.990.970.910.880.920.940.961.121.031.070.770.840.840.880.971.061.061.061.041.101.081.071.171.141.081.120.970.920.990.93
(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoateME2842250.910.910.941.050.900.880.900.981.021.071.011.130.920.870.950.900.930.991.081.031.041.061.031.111.251.181.091.070.921.011.030.97
GlycylprolineME2840560.910.940.971.071.010.800.971.031.021.021.051.050.880.880.921.000.961.001.111.000.991.040.971.111.041.141.131.130.950.961.010.99
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranoseME2841770.871.031.011.000.890.960.970.990.911.020.980.940.900.940.900.890.941.071.081.050.991.101.051.051.101.091.121.080.960.921.050.99
CamptothecinME2840610.881.021.001.040.860.880.980.980.931.061.061.050.890.921.010.950.931.081.141.041.071.050.981.041.181.071.021.090.881.000.970.97
GlutathioneME2841360.920.960.981.020.930.880.970.980.981.000.991.020.910.920.960.940.991.031.091.041.071.041.021.081.111.061.041.070.941.020.991.02
N,N-Dihydroxy-L-tyrosineME2841090.981.071.111.070.980.961.030.981.001.031.231.010.961.021.010.960.940.980.960.971.011.050.990.921.031.031.061.100.930.840.900.86
MESME2840791.021.000.991.020.930.880.980.981.001.021.061.120.900.951.020.990.970.991.101.031.060.901.061.041.160.971.101.150.850.780.950.96
PIPESME2841761.050.960.981.040.990.901.040.971.091.081.071.081.040.970.990.910.960.961.010.971.041.021.011.021.091.021.021.050.961.000.930.87
OrthophosphateME2842881.010.900.941.031.080.941.020.951.040.951.001.031.010.951.020.981.030.961.021.071.100.980.971.011.091.020.961.130.940.980.901.07
dGDPME2842780.960.940.981.120.990.961.021.030.971.041.001.100.960.980.990.990.920.921.051.041.061.010.991.081.011.021.051.210.880.840.850.97
ATPME2842520.991.001.011.070.990.991.031.000.991.051.001.000.961.021.001.020.930.971.001.011.031.020.991.011.041.041.021.070.920.940.880.97
GlucosylgalactosylhydroxylysineME2841880.971.001.011.080.980.951.021.040.911.021.031.010.850.971.050.970.931.030.991.030.990.981.041.021.031.021.031.000.950.970.941.06
LysoPE(22:4)ME2843230.911.020.900.980.981.160.980.930.860.980.930.940.660.880.930.781.071.120.991.050.921.081.110.990.901.081.171.261.130.901.040.94
PS(40:8)ME2842580.971.050.940.970.971.050.861.010.990.961.021.020.750.901.030.890.971.120.981.060.971.071.001.041.051.061.241.160.880.871.050.86
N-(tetradecanoyl)-sphing-4-enine-1-phosphateME2840251.001.170.990.961.060.920.880.940.871.071.031.030.880.860.800.880.981.030.970.991.031.111.000.991.121.020.981.081.081.151.120.88
FA methyl(18:0)ME2842291.131.071.040.911.081.040.931.020.910.920.770.850.881.050.920.951.031.070.980.960.931.001.030.990.911.021.051.131.011.031.090.95
PS(38:4)ME2841110.961.071.030.971.030.960.871.020.900.890.830.900.841.041.011.010.991.060.971.040.950.981.111.010.961.021.041.061.001.141.210.98
PS(40:5)ME2841280.981.071.050.961.060.970.891.070.960.930.910.990.841.050.931.010.941.020.951.020.950.971.101.000.971.051.071.040.961.061.140.93
CholesterolsulfateME2841780.970.990.940.860.960.930.850.990.970.960.890.930.850.990.830.941.031.100.921.031.121.071.111.091.161.071.161.061.010.901.111.00
PI(36:4)ME2841540.881.031.000.981.030.960.831.010.920.940.790.950.800.950.911.001.021.150.931.081.020.951.101.041.091.221.121.130.890.921.110.98
PI(38:4)ME2841400.941.051.030.921.030.960.851.020.940.970.900.990.720.970.910.991.011.060.911.061.010.931.131.031.021.051.081.100.940.921.251.04
PE(12:0/18:4(6Z,9Z,12Z,15Z))ME2840191.071.040.981.100.960.800.970.961.090.860.921.081.250.901.020.931.030.961.050.991.121.011.090.981.070.950.960.970.921.061.041.01
GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))ME2840571.040.990.991.090.980.840.921.030.920.830.810.941.291.081.001.021.070.991.061.031.070.971.050.950.960.930.920.991.021.201.081.09
PE(13:0/18:4(6Z,9Z,12Z,15Z))ME2840601.100.980.941.070.940.840.910.980.990.860.881.031.350.961.081.001.111.001.061.031.130.990.990.971.020.950.960.990.991.130.991.11
Ganglioside GA1 (d18:1/24:1(15Z))ME2840500.931.171.091.071.010.990.991.130.840.770.820.870.971.181.021.170.861.041.041.020.880.961.060.950.820.940.970.890.981.161.221.01
PE(30:4)ME2840320.971.121.071.101.020.901.021.120.850.880.920.910.881.131.011.020.881.031.071.030.950.851.030.930.950.981.061.010.931.101.140.98
PE(31:4)ME2840470.881.081.041.121.010.911.061.100.890.830.890.900.941.141.081.100.971.081.031.050.960.930.900.950.951.001.000.950.991.171.130.97
PE(38:6)ME2842980.980.931.011.030.970.980.900.950.820.790.780.811.111.101.161.101.091.101.091.011.021.080.990.990.930.980.920.941.151.231.111.07
N-Acetyl-D-glucosaminateME2841260.910.960.940.950.920.860.900.940.820.890.890.870.931.011.061.071.031.081.081.101.041.071.051.071.030.930.960.941.191.211.131.24
N-Glycolyl-D-glucosamineME2842020.940.990.990.960.890.940.920.940.830.880.870.860.951.041.091.000.991.091.081.041.031.081.061.060.970.970.960.911.161.141.201.16
2-amino-2-deoxy-isochorismateME2841200.951.021.040.930.970.921.020.900.890.900.980.870.951.020.940.981.011.011.091.021.051.061.101.011.091.050.991.011.071.051.030.98
4-Amino-4-deoxychorismateME2840480.991.031.000.980.870.871.060.900.800.951.050.850.980.990.980.931.011.031.090.931.081.061.181.001.191.031.041.051.061.011.040.95
2-HydroxyethanesulfonateME2840670.961.030.950.910.940.890.870.940.850.991.061.000.891.091.040.971.031.091.060.961.101.101.031.001.181.021.050.971.051.111.000.97
D-GlucuronateME2840360.921.100.960.960.880.910.940.990.801.021.060.950.870.971.121.020.941.071.071.010.981.151.051.021.111.161.021.051.001.040.950.91
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineME2842660.980.981.050.991.110.980.901.071.030.980.970.981.061.030.941.130.961.080.990.980.931.000.990.950.961.050.900.901.051.121.080.95
3-O-(6^-O-(13Z,16Z,19Z-docosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-olME2840381.001.061.071.021.040.880.961.000.930.910.890.880.921.011.071.040.981.051.070.971.011.070.920.971.090.991.020.990.961.221.080.93
PE(38:4)ME2842590.990.961.040.981.030.960.950.950.980.970.930.971.020.970.940.991.061.071.001.000.971.070.960.961.071.101.000.951.111.051.001.01
PE(38:5)ME2842840.990.951.001.010.990.980.960.961.030.980.991.011.031.010.981.001.021.080.981.011.011.010.970.981.051.051.041.011.050.930.931.04
2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME2840940.971.031.011.030.950.910.981.000.890.971.000.940.981.061.081.080.961.021.061.020.981.021.021.010.980.930.960.921.081.101.031.08
nonulose 9-phosphateME2841900.960.970.991.130.920.921.010.960.910.950.920.920.951.041.121.030.970.991.111.051.001.001.011.070.990.970.971.021.031.071.011.06
beta-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphateME2841191.011.080.981.021.040.980.981.000.901.010.930.960.941.041.061.031.031.021.020.970.971.000.980.971.011.050.970.911.031.060.991.06
PE(36:4)ME2842560.990.991.031.061.020.980.950.980.930.920.910.970.991.011.041.091.041.031.050.990.941.060.930.970.950.951.030.991.101.061.011.06
2-Phospho-D-glycerateME2843320.870.851.141.251.191.151.131.220.760.960.931.001.061.401.011.420.760.750.931.060.870.900.921.210.941.161.091.450.590.410.510.77
3-Phospho-D-glyceroyl phosphateME2843281.071.061.221.321.291.251.231.240.971.151.071.111.251.431.191.420.730.710.810.890.810.780.830.950.890.960.881.130.580.440.520.72
Arg-Lys-Asn-GlnME2841740.941.171.081.201.001.101.231.070.740.791.020.831.251.391.431.280.881.011.160.820.920.850.930.910.760.640.680.731.041.021.071.06
Asn-Leu-Lys-TrpME2840731.101.131.021.161.030.981.131.150.820.950.930.811.091.281.561.190.900.941.040.940.850.900.910.920.770.750.720.701.061.101.141.20
PA(34:1)ME2840691.121.251.131.001.151.080.961.070.960.950.830.871.221.351.151.160.890.920.880.940.860.931.010.880.830.800.830.761.031.211.230.87
PA(34:2)ME2840861.041.191.060.981.091.050.961.050.950.890.790.801.181.371.161.170.950.970.900.920.910.951.020.970.820.880.920.821.021.131.190.99
PA(36:1)ME2841071.211.291.171.091.241.161.041.211.000.980.970.931.261.441.181.270.800.850.880.830.790.940.880.790.710.750.770.730.931.111.080.81
PA(36:2)ME2842031.131.211.141.021.141.150.991.170.980.930.890.871.391.401.091.190.890.910.870.880.850.940.930.880.820.800.860.800.961.111.090.84
2-Carboxy-D-arabinitol 1-phosphateME2841971.051.091.181.291.061.031.141.181.001.091.101.171.141.161.221.200.780.910.870.890.860.900.870.920.840.840.780.840.920.950.860.98
melibionateME2842051.171.161.211.281.121.111.211.171.011.091.231.091.201.181.311.250.810.830.840.820.870.790.850.870.840.760.810.840.860.820.830.88
PE(34:1)ME2842041.201.121.101.211.161.071.091.100.960.981.000.991.171.191.201.210.910.880.960.890.830.960.850.830.780.790.830.791.041.100.970.97
PE(36:1)ME2841651.181.161.211.261.211.081.161.091.091.011.131.091.311.131.201.250.880.840.930.830.780.810.830.780.800.800.780.781.040.920.900.97
PS(18:0)ME2840371.251.451.321.191.231.191.121.280.960.970.991.051.131.351.371.230.770.710.920.760.690.840.820.760.690.690.660.681.041.000.960.88
PE(34:2)ME2842631.231.171.181.211.191.171.181.181.021.000.991.011.301.331.361.370.880.830.930.820.770.850.790.800.650.680.670.661.011.090.950.95
sn-glycero-3-PhosphoethanolamineME2841421.091.181.161.211.041.081.121.160.850.930.940.981.201.351.411.400.890.900.950.890.790.860.880.890.730.720.720.701.021.071.031.04
ChenodeoxyglycocholateME2842121.791.141.000.991.181.091.100.991.231.051.080.991.160.951.101.050.920.910.890.840.890.920.790.801.050.830.791.070.950.790.830.82
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidME2843271.301.091.070.891.101.271.021.121.201.140.951.081.301.060.941.070.990.900.880.870.910.860.880.930.920.940.930.970.900.760.940.82
hexane-6-ol-1,3,4,6-tetracarboxylateME2841671.201.151.060.941.141.081.141.121.071.151.241.041.471.141.361.110.940.910.920.820.910.890.860.830.870.770.770.821.020.970.870.84
alpha-IroneME2840971.361.171.181.121.111.041.121.141.311.091.091.131.341.081.131.080.900.830.860.810.960.800.830.840.990.790.900.840.840.920.820.79
BergaptolME2841211.211.221.011.101.161.101.141.011.150.971.040.911.401.211.251.090.930.820.890.860.930.870.910.901.050.810.880.900.870.890.940.84
Cys-Phe-Gly-GlyME2843081.001.131.100.990.801.211.131.070.740.930.980.861.371.281.181.240.880.920.890.880.961.021.011.010.771.101.110.960.971.000.900.79
KinobscurinoneME2843261.081.130.971.100.961.281.021.230.941.191.181.331.071.221.021.170.780.890.850.770.991.190.950.870.790.900.850.770.980.960.720.90
ApodineME2842271.381.301.170.991.411.261.351.281.571.481.421.371.281.311.131.090.840.740.660.620.700.650.770.680.840.820.690.650.750.650.740.68
Bis-D-fructose 2^,1:2,1^-dianhydrideME2841961.421.291.211.141.631.221.311.301.571.501.451.351.041.331.211.240.790.650.620.740.580.570.670.680.790.780.660.770.720.530.630.76
Ala-AspME2842101.241.151.161.051.261.101.301.211.201.511.281.081.371.321.371.370.840.870.770.750.720.710.750.710.730.750.640.621.010.830.960.94
D-FructoseME2841801.171.251.261.371.131.181.251.271.131.251.291.281.111.191.231.190.730.800.840.790.750.730.780.830.800.810.810.860.710.690.750.77
Orotate(Fragment)ME2842001.141.221.241.271.241.161.241.201.141.091.231.281.141.201.371.260.800.800.750.860.770.750.850.750.730.890.700.890.730.660.890.81
PS(36:1)ME2841311.271.341.321.301.321.211.161.351.171.211.111.211.241.381.301.380.720.750.710.750.700.710.790.720.700.740.760.720.690.740.860.70
PS(36:4)ME2842721.151.261.181.191.261.271.111.301.181.121.101.171.211.261.321.360.830.830.720.770.740.780.820.810.780.800.840.870.680.800.830.77
GDP-mannoseME2841131.221.251.181.341.151.131.261.161.161.191.181.201.241.141.271.120.790.770.930.750.860.940.770.780.860.880.800.840.660.910.690.68
(S)-MalateME2841181.311.281.231.241.231.151.331.281.221.301.311.211.211.201.391.210.650.830.720.670.750.930.730.690.810.800.700.660.750.910.790.73
Bile saltME2840281.350.971.111.211.160.771.131.231.290.801.131.441.170.821.311.170.980.780.910.910.960.760.810.931.020.710.881.190.840.740.830.87
[SP] Sphinganine-1-phosphateME2840341.321.231.131.331.381.001.011.291.441.121.101.380.990.910.921.000.930.830.850.830.930.740.820.771.080.910.941.010.690.550.680.59
N-Acetyl-L-glutamateME2842111.131.301.271.151.251.241.121.011.321.411.301.111.021.230.950.960.770.890.750.760.780.860.890.820.931.020.890.890.780.610.790.72
UDP-N-acetyl-D-galactosamineME2841011.091.121.101.091.051.001.111.061.291.381.321.320.790.810.810.760.870.930.990.931.030.950.890.901.241.221.171.180.650.570.560.57
CMP-2-aminoethylphosphonateME2841171.111.111.181.021.171.001.131.151.331.341.451.370.720.960.780.940.800.890.750.910.910.860.890.891.111.061.071.060.750.620.740.73
L-Fuculose 1-phosphateME2841221.021.071.251.051.220.971.121.111.141.191.331.340.791.090.861.060.810.900.820.850.870.980.920.861.081.041.061.010.720.870.720.76
ChloraminophenamideME2841920.460.500.380.460.360.470.470.33NANANANA0.450.370.470.321.891.871.571.331.781.731.651.43NANANANA1.841.571.581.66
PerseitolME2842340.220.240.170.180.180.180.200.14NANANANA0.180.170.200.141.922.122.011.921.881.662.051.99NANANANA1.931.801.932.02
NorepinephrinesulfateME2843240.340.360.350.270.380.340.370.310.510.620.420.520.280.240.260.241.301.821.341.402.132.271.531.472.782.752.182.071.211.761.221.11
sn-Glycerol 3-phosphateME2841980.330.330.320.280.360.310.340.330.400.420.410.360.210.280.230.241.441.621.501.621.781.651.731.842.122.202.162.291.180.791.091.13
D-Sedoheptulose 1,7-bisphosphateME2842830.070.060.070.070.070.060.060.060.070.060.060.070.060.070.060.071.681.722.012.101.881.472.192.131.961.581.942.041.811.402.052.26
beta-D-Fructose 2,6-bisphosphateME2842990.030.020.020.010.020.020.010.010.020.020.010.010.030.020.010.011.712.082.031.931.791.872.111.991.732.022.011.841.991.902.122.00
Glycerone phosphateME2843200.180.150.130.100.180.160.120.120.150.150.120.110.170.170.110.111.671.941.901.831.681.791.951.841.671.891.861.751.841.801.901.92
3-Deoxy-D-manno-octulosonate 8-phosphateME2843180.270.230.220.170.280.260.230.190.260.250.190.200.300.290.230.231.301.851.391.831.871.731.801.722.021.921.891.771.791.491.601.64
D-Mannose 6-phosphateME2843000.230.230.260.220.270.240.220.220.220.230.230.581.000.300.220.241.611.661.781.911.471.361.781.941.511.601.651.751.761.371.922.05
D-Ribose 1,5-bisphosphateME2843090.160.180.190.270.160.190.200.240.120.170.170.210.200.210.210.261.701.951.691.781.771.791.711.861.361.661.411.712.381.911.691.96
D-Fructose 1,6-bisphosphateME2842510.250.240.260.280.250.240.260.260.230.240.230.240.290.260.280.281.641.831.711.771.461.611.811.791.411.611.541.642.091.771.911.93
D-Mannose 1-phosphateME2842650.310.290.310.370.310.290.330.320.270.300.300.310.340.330.330.331.511.711.661.751.301.481.791.871.271.541.631.722.031.551.841.89
oxindole-3-acetyl-aspartate-N-beta-glucosyl-beta-1,4-glucoseME2841810.470.510.390.330.470.480.490.500.330.370.340.290.560.510.590.381.451.261.531.381.481.251.701.711.220.850.991.581.321.651.862.23
2-BenzothiazolesulfonamideME2843350.440.540.520.540.380.670.450.410.400.490.390.390.45NA0.430.701.391.311.571.021.581.711.081.401.291.721.141.171.301.311.151.36
L-cysteine sulfinateME2840700.440.380.350.360.410.490.410.280.490.400.310.530.340.30NA0.321.141.171.071.321.611.281.441.591.361.581.261.591.330.981.381.42
Proclavaminic acidME2843340.210.340.280.230.260.250.230.290.280.270.260.230.200.300.280.311.461.551.501.611.551.341.621.641.581.541.511.551.511.011.531.60
D-myo-Inositol 1,2-cyclic phosphateME2841270.480.470.480.490.470.430.480.470.510.510.530.531.480.430.410.391.391.501.531.481.561.591.451.491.431.411.361.421.561.671.411.57
Glepidotin BME2843290.510.390.480.510.700.460.410.430.590.440.380.420.580.440.520.521.561.421.721.491.651.471.521.471.681.491.430.981.671.451.291.59
MannitolME2842160.510.520.500.470.500.500.510.480.460.470.460.460.620.540.550.511.461.501.511.481.451.501.471.501.381.381.351.361.581.661.591.60
3-PhosphonopyruvateME2840920.450.450.420.390.450.400.390.380.380.410.370.380.440.450.360.431.511.531.671.571.471.481.691.631.481.241.471.421.831.621.751.71
D-Ribose 5-phosphateME2841910.350.380.360.370.360.360.380.370.320.360.350.340.360.420.410.421.651.521.601.621.661.501.631.651.701.521.571.661.841.461.571.62
5^-DehydroadenosineME2843100.380.260.280.320.380.280.260.300.360.290.260.260.450.230.290.301.631.591.681.621.911.751.661.591.631.761.631.201.721.521.561.66
ErythronicacidME2841120.320.370.340.340.270.330.380.320.330.340.360.310.410.330.350.311.521.701.811.651.721.981.551.521.441.551.391.381.582.181.701.57

Factors:

F1cell_type:iRBC | treatment:DHA | treatment_duration_(h):-
F2cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5
F3cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5
F4cell_type:iRBC | treatment:DHA | treatment_duration_(h):3
F5cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-
F6cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5
F7cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5
F8cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3
F9cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-
F10cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5
F11cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):1.5
F12cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3
F13cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-
F14cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5
F15cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):1.5
F16cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3
F17cell_type:unRBC | treatment:DHA | treatment_duration_(h):-
F18cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5
F19cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5
F20cell_type:unRBC | treatment:DHA | treatment_duration_(h):3
F21cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-
F22cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5
F23cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5
F24cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3
F25cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-
F26cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5
F27cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):1.5
F28cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3
F29cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-
F30cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5
F31cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):1.5
F32cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3
Data matrix
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