Clustering data with hclust algorithm for (Study ST001274)

(Analysis AN002115)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19
3^,5^-Cyclic AMPME2994630.180.200.170.230.240.200.240.210.220.250.200.220.270.140.230.180.2017.910.35
[SP (14:0)] 1-deoxy-tetradecasphinganineME299360NA0.310.390.130.180.170.190.180.210.350.276.030.230.290.290.291.080.470.26
N-(11Z,14Z-eicosadienoyl)-ethanolamineME299481NA1.12NA0.420.820.740.660.480.710.43NA0.47NANANA2.931.170.65NA
N-(11Z-eicosaenoyl)-ethanolamineME299483NA0.990.38NA0.440.830.740.430.610.530.350.280.49NANA4.120.790.510.36
7E,9E,11-Dodecatrienyl acetateME2993540.831.301.080.910.540.890.950.591.250.760.530.540.810.650.495.240.910.900.76
PhytuberinME2994290.731.261.010.970.520.930.890.531.390.790.450.410.650.590.495.830.820.900.87
2-trans,6-trans-FarnesalME2993500.950.640.630.510.660.570.660.600.620.790.670.730.741.110.627.190.600.661.00
FA methyl(8:0)ME2992340.640.900.670.560.650.720.710.630.750.680.750.670.700.720.617.150.881.010.72
L-TryptophanME2993280.360.280.240.260.530.360.330.250.380.314.691.863.660.212.640.320.360.210.36
HypoxanthineME2991820.120.230.320.320.630.520.390.230.320.365.251.883.450.202.020.240.340.130.63
ThymidineME2993720.210.310.280.440.530.690.500.370.410.454.951.943.340.272.090.270.280.210.14
Asp-Cys-Cys-SerME2995090.170.271.181.480.333.280.860.760.931.093.970.671.480.180.890.180.270.110.24
(1-Ribosylimidazole)-4-acetateME2993930.360.490.601.040.441.841.610.580.861.273.910.861.880.390.910.300.370.460.36
PhenolsulfonphthaleinME2994840.300.801.001.240.621.861.180.630.991.232.970.941.680.350.860.410.850.540.25
Ile-LysME2993960.330.390.990.680.731.570.630.570.550.522.740.932.250.700.98NA0.320.640.71
3-(4-Hydroxyphenyl)pyruvateME2992830.540.370.741.040.771.250.950.690.820.982.891.492.160.371.640.290.400.650.33
5-HydroxyindolepyruvateME2993470.410.560.630.980.641.110.970.520.740.962.951.562.240.491.680.230.250.500.31
L-TyrosineME2992880.450.500.630.620.821.610.800.530.830.763.351.142.530.231.560.520.600.410.39
PhenylpyruvateME2992460.230.550.640.920.701.450.990.570.770.963.501.352.390.311.470.410.470.440.19
IndolepyruvateME2993240.350.390.390.630.910.820.670.500.550.643.561.982.720.442.080.350.430.270.28
L-PhenylalanineME2992490.610.520.550.380.930.860.500.290.740.753.721.432.610.071.800.630.890.310.58
D-Fructose 1,6-bisphosphateME2994720.780.724.650.411.640.390.451.780.480.400.370.340.330.641.292.002.051.180.36
3-nitro-2-pentanolME2991740.820.524.971.011.670.790.450.750.590.690.701.081.300.901.370.180.370.380.54
5^-methylthioformycinME2994311.020.543.620.932.140.700.470.670.820.610.641.211.220.811.090.400.680.470.90
D-MethionineME2992100.890.763.970.651.860.710.740.660.900.720.620.951.110.840.960.690.620.860.78
S-Adenosyl-L-methionineME2995000.890.634.050.702.020.690.690.610.810.780.620.981.150.851.020.570.550.770.82
[PC(18:1/22:6)] 1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholineME2996870.782.270.380.660.380.660.352.012.562.741.020.360.320.350.400.300.222.471.51
PE(41:6)ME2996660.282.282.100.550.600.410.240.302.202.410.290.250.780.262.151.920.521.380.85
Ala-Leu-Asn-GlnME299520NA0.933.300.71NANA0.450.240.220.22NANANANANA0.670.481.24NA
Lys-Ser-TyrME299499NA1.593.050.840.13NA0.170.150.130.23NANANANANA0.980.911.55NA
[FA (18:1)] 9Z-octadecenamideME299422NA1.340.650.670.62NANA0.880.800.54NA0.58NA0.95NA0.920.962.22NA
Margaroyl-EAME299448NA1.170.950.55NA1.191.210.861.081.04NANANANANA1.151.090.74NA
FA methyl(15:0) tridecanedioic acidME2993941.210.090.751.190.230.260.142.072.600.881.030.020.162.131.630.232.260.541.06
PhenylpropanoateME2992150.880.220.260.262.930.270.200.300.300.311.122.491.981.392.080.140.260.231.89
N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amineME2995121.020.070.110.090.530.090.090.12NA0.061.902.142.280.962.570.100.800.060.85
D-Erythrose 4-phosphateME2993172.040.430.560.450.880.480.560.640.550.461.281.661.711.302.490.360.420.421.14
L-2-Amino-6-oxoheptanedioateME2993041.510.440.350.320.900.250.400.370.400.381.382.151.621.952.340.510.570.371.65
3,6,8-TrimethylallantoinME2993181.450.570.400.171.150.140.230.340.280.281.142.282.011.432.540.720.660.181.18
(3R)-hydroxy-N-acetyl-(L)-arginineME2993631.530.480.330.221.240.160.270.350.310.321.072.222.131.602.610.770.600.251.34
Hydantoin-5-propionateME2992672.240.300.260.321.090.230.250.120.250.311.911.141.712.461.530.410.410.152.04
N-Acetyl-L-glutamate 5-semialdehydeME2992702.230.660.350.400.930.230.370.370.340.381.071.601.302.631.800.530.820.301.57
meso-2,6-DiaminoheptanedioateME2993091.990.370.490.232.240.300.280.360.330.270.961.571.211.991.800.620.490.381.75
N5-acetyl-N5-hydroxy-L-ornithineME2993081.670.480.620.492.610.330.460.440.620.530.981.291.191.961.460.510.460.571.39
alpha-IroneME2993321.470.690.610.561.440.600.560.560.610.621.221.351.371.631.440.620.660.661.56
Bakkenolide AME2993640.940.720.640.441.930.550.580.480.550.591.161.731.551.281.420.670.750.701.57
D-LysineME2992021.110.740.390.402.000.360.470.610.510.481.341.791.501.421.720.810.800.551.17
1-18:2-lysophosphatidylethanolamineME299554NANANA0.17NA0.150.290.260.190.191.311.990.89NA1.98NANANANA
[PR] Abietic acidME2994390.460.950.350.501.361.522.050.290.460.391.562.060.860.142.690.290.600.180.84
GuanineME2992170.750.110.631.181.130.250.530.641.140.991.991.881.550.261.740.790.810.211.88
XanthineME2992180.760.190.551.101.120.660.530.460.910.972.051.801.500.231.330.630.770.332.41
PhenyllactateME2992551.000.290.320.891.500.560.320.280.710.561.531.971.960.212.790.570.480.701.34
Ala-Leu-Lys-ValME2995130.770.370.790.760.500.560.910.970.830.791.832.121.770.652.480.200.180.470.60
FA dimethyl(20:3)ME2994681.020.520.640.831.541.010.340.670.970.841.491.981.230.541.570.400.570.791.25
DocosahexaenoicacidME2994620.730.520.520.791.021.300.740.580.840.851.972.021.110.391.420.630.620.571.73
[FA (18:1)] 9Z-octadecenoic acidME2994230.670.750.610.580.981.170.660.650.740.781.732.221.110.621.860.880.810.501.08
Icosadienoic acidME2994440.860.680.640.721.121.100.610.710.780.891.612.161.110.611.700.850.660.641.00
[FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acidME2994190.600.540.640.451.081.360.510.720.410.591.712.611.230.742.050.570.680.391.24
Icosatrienoic acidME2994400.650.490.560.670.931.090.670.560.750.711.982.601.310.362.210.550.610.550.99
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidME2994660.840.510.650.711.030.820.570.550.710.681.712.551.230.472.080.560.540.651.37
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acidME2994640.710.550.570.661.061.010.650.550.690.691.842.471.060.461.930.640.580.561.56
FA(16:1)ME2993880.780.410.320.490.710.730.470.410.640.922.193.041.440.332.280.720.490.361.34
FA methyl(16:1)ME2994090.680.580.430.510.780.800.560.520.751.031.992.991.330.352.050.760.650.411.10
4-Methyl-L-glutamateME2992420.860.710.740.890.560.650.550.530.650.641.472.931.240.722.560.490.640.400.85
LysoPC(18:1)ME2995740.520.870.570.680.530.850.550.500.680.492.093.031.220.392.580.840.800.620.46
LysoPE(18:2)ME2995420.650.570.580.830.740.840.680.760.860.742.012.701.130.512.330.480.610.810.56
3-(2-Hydroxyphenyl)propanoateME2992560.790.180.330.740.750.490.260.180.630.583.292.612.580.102.450.230.430.460.69
IndolelactateME2993310.600.340.350.530.750.670.480.390.550.532.892.752.540.272.420.380.450.340.61
L-Fuculose 1-phosphateME2993760.420.300.860.690.710.270.760.630.520.562.182.841.720.363.320.260.380.170.52
LysoPE(20:1)ME2995670.560.640.620.680.410.720.600.570.650.552.412.571.540.393.160.500.560.560.47
LysoPE(16:0)ME2995250.380.660.400.570.400.580.530.560.540.482.224.281.280.432.870.520.480.430.36
[FA (17:1)] 7-heptadecynoic acidME2994060.400.170.470.330.210.370.360.310.420.342.213.581.53NA2.880.230.290.170.86
LinoleateME2994200.440.350.590.410.430.630.470.490.450.412.353.841.490.373.140.350.430.370.89
LysoPE(20:2)ME2995650.270.330.490.470.270.570.700.480.520.502.593.921.530.273.570.200.310.360.37
LysoPC(22:4(7Z,10Z,13Z,16Z))ME2995920.360.360.650.590.370.630.530.520.610.422.223.701.610.283.640.240.330.540.38
LysoPC(22:5)ME2995910.370.360.550.470.350.540.470.460.490.362.383.861.800.273.780.240.330.390.38
[PC(22:6)]ME2995900.340.350.630.440.290.550.450.440.480.352.453.951.650.263.870.230.320.390.36
PC(18:2)ME2995730.470.400.510.610.470.630.610.550.660.432.793.551.350.303.100.330.400.460.38
PA(18:2(9Z,12Z)/0:0)ME2995160.450.490.620.570.460.710.620.550.700.492.403.231.690.402.830.390.510.590.42
LysoPC(16:1(9Z))ME2995550.530.680.590.580.450.640.630.470.560.571.883.341.490.473.200.510.490.450.54
LysoPC(20:2)ME2995840.340.550.620.580.490.700.560.520.570.382.113.521.640.233.300.260.420.510.27
LysoPC(20:3)ME2995830.460.440.660.540.400.680.580.550.610.432.283.601.490.363.200.370.510.450.44
methylphosphateME2991170.600.750.990.860.530.310.730.710.600.571.323.251.150.403.020.620.720.880.44
[PC(18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholineME2995720.871.120.460.790.750.480.450.921.010.371.233.670.980.802.570.250.400.310.63
FA hydroxy(6:0)ME2991702.690.430.561.031.820.500.470.260.580.530.450.680.490.820.650.580.551.593.61
2-hydroxy-4-methylthiobutanoateME2992123.150.160.700.911.270.530.340.270.580.690.510.510.290.700.38NA0.541.742.97
Ethyl (R)-3-hydroxybutanoateME2991692.660.460.721.241.220.610.410.350.670.700.941.030.710.670.700.380.511.522.83
IMPME2994791.920.381.470.491.160.300.360.580.600.560.671.200.960.531.170.850.760.953.61
AdenineME2991791.230.220.610.751.440.330.360.440.820.781.461.920.990.371.080.770.970.403.37
dAMPME2994651.430.430.410.500.390.150.470.670.560.651.372.221.240.681.501.100.740.443.29
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactoneME2992951.090.971.451.140.761.560.580.520.680.880.710.540.530.700.671.200.543.940.99
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acidME2993690.450.680.510.380.551.020.670.410.761.890.963.160.820.481.052.300.610.650.90
ethyl-(2R)-methyl-(3S)-hydroxybutanoateME2992000.840.810.710.794.850.610.610.400.570.570.250.300.641.380.211.750.730.531.92
7,8-diketopelargonateME2992940.540.750.680.445.120.500.480.540.580.620.531.260.701.270.710.771.110.691.08
[FA trihydroxy(6:0)] 3,4,5-trihydroxy-hexanoic acidME2992470.790.710.870.434.340.560.570.440.550.670.790.770.931.650.590.740.930.451.23
Dodecanoic acidME2993190.801.231.070.462.630.970.820.570.350.590.420.540.662.210.301.061.340.552.00
AdenosineME2994081.340.700.611.012.900.630.770.751.040.850.781.170.840.820.900.780.730.771.18
2-OctenedioicacidME2992680.771.080.810.603.130.680.860.870.780.930.740.950.730.990.620.981.391.030.98
9-Oxononanoic acidME2992690.750.910.860.522.910.620.680.590.730.720.871.160.941.140.891.190.950.771.43
FA hydroxy(8:0) hydroxy-octanoic acidME2992380.711.040.790.623.070.830.760.740.680.780.860.890.861.000.781.030.930.811.44
PE(41:5)ME2996690.250.520.700.430.782.031.580.421.821.841.931.130.350.350.830.431.831.890.53
AjmalineME2994611.311.821.130.610.940.640.630.680.711.010.750.300.641.580.361.522.781.020.67
sodium dodecyl sulfateME2994040.492.300.830.610.960.981.180.710.521.700.451.320.710.500.662.331.580.800.79
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholineME2995450.842.011.161.220.961.040.770.840.770.920.490.670.590.530.602.191.631.400.77
LysoPE(22:0)ME2995810.632.241.301.040.811.270.860.680.790.620.400.330.450.340.422.381.831.380.74
LysoPC(18:0)ME2995760.582.631.221.090.671.440.730.690.790.600.440.410.390.380.432.692.661.440.43
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphateME2995060.532.421.230.970.621.170.890.850.880.700.690.560.510.580.552.601.901.600.41
LysoPC(16:0)ME2995570.492.601.011.000.591.390.860.700.870.690.610.630.490.430.652.762.151.180.45
LysoPE(20:0)ME2995690.552.211.021.020.601.360.880.630.940.620.750.640.540.470.682.932.081.200.46
N-AcetylglutamineME2992981.400.880.541.070.40NANA0.620.91NANA0.43NA1.580.481.040.730.461.64
Val-ArgME2994140.991.141.592.210.640.761.201.561.441.610.320.470.400.590.520.890.871.840.71
[PC(18:2/22:6)] 1-(9Z,12Z-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholineME2996851.431.411.690.810.290.420.400.951.611.391.420.570.660.321.361.451.421.590.44
(S)-N-MethylcanadineME299482NA1.070.491.940.651.731.251.141.001.151.280.480.960.420.680.33NA0.39NA
Glutathione disulfideME2996000.380.621.771.360.571.700.661.440.870.881.861.091.610.471.180.600.570.440.43
trans-2-HydroxycinnamateME2992450.440.460.571.151.281.241.521.031.030.861.830.861.620.501.950.840.530.690.38
3-Methyl-2-oxobutanoic acidME2991320.660.471.150.830.720.901.560.761.251.302.281.131.690.530.590.530.910.910.92
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acidME2992071.140.741.091.830.751.591.260.861.191.371.320.630.860.770.590.560.760.970.74
N-Acetyl-L-glutamateME2993030.660.650.982.500.431.541.101.121.151.101.720.931.120.371.230.350.390.940.50
CorydalineME2994920.560.650.851.791.782.031.401.151.501.251.190.440.990.430.690.610.600.590.50
2,6-DihydroxypseudooxynicotineME2993350.410.990.831.140.472.052.051.351.421.221.140.620.950.370.600.740.931.290.23
Gln-Met-Met-ThrME299568NA0.870.851.041.012.051.390.660.901.201.710.221.030.640.490.650.750.23NA
Glu-Ser-ThrME299469NA0.850.981.291.791.971.150.541.121.271.720.470.900.600.560.550.780.720.38
FA (22:0)ME2994500.800.980.710.630.631.640.970.871.100.842.011.001.690.831.040.570.920.660.76
OxycarboxinME2994070.730.900.620.921.551.371.031.000.801.011.990.721.550.730.940.880.870.740.40
2-OxobutanoateME2990980.601.800.721.010.941.691.320.941.161.101.660.441.330.850.520.651.200.560.42
PantothenateME2993480.610.611.191.380.671.571.391.011.051.061.900.761.160.680.800.640.701.290.62
2-Oxopentanoic acidME2991310.670.721.191.580.541.431.140.701.011.202.131.061.500.560.950.360.740.680.59
5,6-DihydrouracilME2991270.840.770.831.360.721.091.240.940.921.081.611.141.260.861.140.620.720.990.70
PyruvateME2990840.800.730.831.350.651.211.200.910.941.111.731.261.490.761.240.500.510.940.59
CytidineME2993740.620.610.861.211.281.461.090.991.531.041.440.931.410.661.160.550.540.900.59
Met-AlaME2993490.600.911.061.060.961.231.070.921.131.331.581.011.270.770.900.831.080.830.50
4-AminobutanalME2990830.411.141.280.970.971.621.270.941.081.361.430.851.330.580.830.941.110.720.33
DihydrobiopterinME2993660.401.111.141.090.931.441.420.981.071.301.570.881.330.590.950.811.010.740.33
myo-InositolME2992860.721.160.741.170.991.501.170.790.871.191.600.761.300.710.861.071.150.590.57
4-Hydroxybutanoic acidME2991110.600.990.801.181.221.431.210.860.901.031.830.831.270.740.810.880.790.840.63
(R)-3-HydroxybutanoateME2991090.740.890.771.160.961.371.220.820.961.071.680.981.280.870.950.830.790.810.68
ChenodeoxyglycocholateME2995230.611.160.941.391.261.281.170.800.901.081.510.781.130.550.830.851.100.960.64
2-Hydroxybutanoic acidME2991100.581.050.801.230.841.311.340.881.101.301.690.801.230.630.840.870.990.920.68
D-ArabitolME2992190.781.100.801.250.891.211.390.951.071.281.500.841.180.401.090.801.100.880.55
a Cysteine adductME2993110.830.690.911.190.991.681.621.031.111.371.580.751.230.800.750.480.660.640.64
(S)-1-Pyrroline-5-carboxylateME2991210.890.761.071.161.081.581.341.221.101.161.340.731.150.970.890.440.590.620.78
Arg-OEtME2993230.630.870.941.151.081.251.411.461.201.121.240.921.120.710.930.820.710.900.69
Nalpha-MethylhistidineME2992620.800.960.861.350.871.501.291.271.051.171.290.650.960.940.790.740.910.740.87
AllantoateME299277NA0.570.861.100.392.031.590.881.141.241.700.491.06NA0.620.430.910.40NA
EpinephrinesulfateME299401NA0.780.891.240.381.801.600.871.091.141.690.701.01NA0.800.490.680.71NA
D-FructoseME2992840.130.891.251.230.772.301.561.060.991.211.920.482.010.380.560.710.830.660.13
PicolinamideME2991430.590.980.921.451.311.731.631.491.131.111.340.661.020.770.740.550.770.580.27
CitrateME2993130.370.910.861.820.811.611.481.301.131.341.570.741.290.550.900.660.800.590.30
2,3-DimethylmaleateME2991890.440.940.811.360.961.761.791.331.151.461.380.661.280.480.900.900.780.650.21
3-ButynoateME2990820.500.870.891.440.941.891.831.261.301.451.270.621.230.500.770.990.700.600.22
CysteineMercaptoethanol disulfideME2993150.070.870.851.370.732.061.701.041.201.492.320.711.410.330.860.660.700.580.11
S-Sulfo-L-cysteineME2993200.120.920.971.570.432.321.701.021.201.592.370.621.280.210.810.640.760.480.10
Met-Met-ProME299495NA1.080.921.180.901.801.400.901.111.451.790.491.250.460.670.720.970.530.17
cis-AcetylacrylateME2991230.201.040.881.270.902.091.611.041.181.422.000.521.270.480.790.721.000.490.18
D-RiboseME2992130.191.080.831.221.002.041.520.951.141.422.070.601.300.430.760.780.970.530.22
2-Hydroxy-2,4-pentadienoateME2991250.101.060.901.240.932.161.630.981.231.502.200.521.280.320.710.731.000.460.14
D-GlucoseME2992850.080.990.811.270.972.381.660.961.161.492.310.461.290.380.650.710.900.430.13
L-1-Pyrroline-3-hydroxy-5-carboxylateME2991510.390.840.911.280.481.671.400.941.121.422.160.921.520.401.010.600.800.770.36
N-Acetyl-L-histidineME2993160.310.710.811.280.682.031.620.881.031.382.530.761.560.440.810.510.570.690.28
N-AcetylanthranilateME2992820.330.800.831.340.892.031.520.981.031.482.340.741.410.370.840.470.770.500.22
(S)-LactateME2990890.390.740.821.290.771.971.450.901.091.352.260.941.490.400.860.520.700.570.34
ErythritolME2991440.540.790.761.430.841.961.451.011.131.401.970.711.370.430.940.590.680.520.38
CreatinineME2991220.640.880.801.410.911.781.421.041.061.292.040.781.290.420.900.600.680.610.33
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acidME2991800.470.880.851.370.881.801.310.991.091.301.980.791.310.600.980.560.650.620.39
[FA oxo(5:0)] 3-oxo-4-pentenoic acidME2991240.430.880.931.410.911.971.500.961.171.491.860.671.230.500.810.660.740.600.28
N-AcetylneuraminateME2994450.300.850.931.420.871.951.571.031.141.442.000.721.380.470.860.570.680.550.24
UrateME2992600.280.850.901.500.902.041.491.091.181.451.990.701.310.440.850.560.670.560.22
HEPESME2993650.300.860.951.270.821.771.490.981.141.412.010.851.430.490.930.650.790.620.25
O-PropanoylcarnitineME2993450.300.840.781.460.851.731.501.141.201.332.060.731.460.530.770.750.710.590.26
AllantoinME2992320.480.921.031.220.982.121.581.041.121.351.520.581.110.680.730.680.840.760.36
4-AcetamidobutanoateME2991940.550.890.951.180.771.541.370.871.021.251.960.881.280.620.870.640.900.830.58
Trp-Trp-Tyr-TyrME2996220.431.001.041.180.811.651.360.861.081.291.830.821.390.570.920.820.990.700.29
[FA oxo(6:0)] 2-oxo-hexanoic acidME2991580.810.870.911.440.741.641.320.851.051.311.750.741.230.640.830.660.780.750.58
D-XylonateME2992540.500.930.891.250.971.691.340.981.061.301.670.781.230.630.890.810.840.710.49
L-LyxonateME2992530.491.030.981.240.881.631.310.951.071.311.620.821.200.600.890.760.910.800.53
3-deoxy-D-galactoseME2992570.670.910.821.410.981.761.470.941.131.311.670.651.190.570.800.640.750.870.44
MannitolME2992910.621.000.911.370.991.741.340.901.131.361.750.671.240.460.860.620.900.720.38
(S)-2-AcetolactateME2991670.521.070.921.200.861.821.431.001.181.301.690.521.130.620.730.871.010.760.49
2-AcetolactateME2991650.281.090.921.091.021.881.491.061.211.241.800.651.220.570.730.890.990.730.28
(R)-LactateME2990880.301.010.971.120.911.901.611.001.141.341.860.581.270.540.740.861.010.650.35
CarnosineME2993560.451.050.851.290.921.671.571.021.071.241.910.701.230.450.830.830.880.740.37
O-ButanoylcarnitineME2993620.410.850.931.360.841.871.640.911.101.211.930.731.240.560.800.680.660.820.43
L-2-AminoadipateME2992400.290.780.980.940.632.292.200.780.831.542.360.531.010.550.670.711.210.660.25
L-CysteineME2991410.531.000.700.990.372.371.800.701.081.292.860.370.780.570.491.040.980.570.55
L-CystineME2993670.171.100.660.960.402.602.040.771.241.482.890.410.820.240.451.251.010.520.23
2-C-Methyl-D-erythritol 4-phosphateME2993430.260.650.751.900.883.201.411.011.171.242.330.401.110.490.500.390.580.270.16
GlycerolME2990900.940.520.821.880.602.591.721.021.371.701.940.590.990.180.630.270.400.630.21
5-Guanidino-2-oxopentanoateME2992711.080.681.401.011.180.650.772.680.870.820.701.080.960.991.170.560.511.100.97
N6,N6,N6-Trimethyl-L-lysineME2993020.850.741.280.850.950.650.933.090.840.890.811.001.030.901.150.920.890.630.96
[PC acety] 1-acetyl-sn-glycero-3-phosphocholineME2994340.281.761.040.800.880.531.251.320.710.720.660.720.961.871.091.730.790.941.08
6-Phospho-D-gluconateME2994160.681.600.620.630.920.581.672.040.650.660.471.310.911.501.191.271.260.470.74
D-Glucono-1,5-lactone 6-phosphateME2993920.641.610.600.640.970.561.681.990.660.650.481.360.971.441.131.331.270.460.72
(S)-DihydroorotateME2992310.982.470.440.840.870.471.741.530.680.740.350.510.492.320.421.451.030.820.96
Octadecanoyl-CoAME2997180.751.291.211.041.290.991.561.450.910.82NA0.250.372.230.530.700.890.880.41
CTPME2995470.521.581.510.720.961.051.512.040.960.850.310.500.732.180.891.000.990.650.42
dCTPME2995341.041.780.860.730.790.701.441.890.800.790.340.510.722.390.831.230.880.810.65
PE(37:2)ME2996420.370.741.160.971.160.330.410.821.761.560.770.660.841.590.760.861.521.671.48
3-Oxododecanoic acidME2993391.530.480.371.350.500.560.391.761.500.960.920.100.382.251.291.031.380.971.37
FA hydroxy(18:1)]ME2994491.220.670.471.140.590.560.421.731.490.951.050.250.421.861.380.771.380.801.20
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraeneME2993101.270.820.431.290.670.740.651.391.391.090.790.170.441.970.991.281.231.001.50
CumeneME2991401.150.940.761.050.650.690.391.051.620.900.840.140.381.811.031.171.581.041.04
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholineME2995350.651.240.840.810.660.880.770.780.960.741.511.931.070.601.811.191.280.650.43
LysoPE(18:0)ME2995440.551.830.880.810.671.070.800.630.750.661.141.860.790.591.411.641.360.920.56
Glu-Glu-Glu-GluME2995780.441.721.390.470.450.461.121.430.890.940.531.130.670.740.841.932.021.450.55
2-OxoglutarateME2991960.691.810.731.050.220.731.241.570.991.050.771.071.190.891.181.691.450.570.46
L-GlutamateME2992040.681.631.230.790.380.811.191.290.961.070.780.911.081.010.961.681.790.560.63
N,N-DimethylglycineME2991020.691.641.200.850.430.851.131.210.971.110.830.961.110.970.931.491.780.570.66
3-Deoxy-D-manno-octulosonate 8-phosphateME2994540.901.500.511.600.230.541.071.480.971.010.821.351.420.701.561.090.980.710.52
NorepinephrinesulfateME2993820.971.371.110.970.330.821.372.151.171.210.630.831.010.911.041.201.060.460.83
N-Succinyl-L-glutamateME2993810.471.701.041.690.190.731.362.191.231.080.560.940.890.421.311.291.220.610.37
allopurinolME2991811.360.940.512.350.830.891.150.641.031.260.700.570.741.090.710.640.731.341.35
Sedoheptulose 7-phosphateME2994272.150.830.571.170.820.350.660.590.821.110.541.040.900.991.140.650.861.641.89
Ala-Leu-Met-ValME2995150.860.571.450.970.830.501.030.840.920.941.181.791.070.792.030.440.590.851.11
dTDPME2995011.300.610.850.990.780.410.650.760.840.901.281.741.530.861.530.730.630.751.40
2-HydroxyadenineME2992161.420.650.721.110.660.420.810.811.000.971.231.941.150.741.510.960.590.711.26
GMPME2994871.440.600.721.110.630.410.800.760.910.961.191.941.290.811.580.940.580.601.29
NADP+ME2996361.420.800.781.300.690.910.690.680.910.941.151.661.130.671.530.660.730.921.01
PhosphodimethylethanolamineME2992611.190.760.601.170.780.600.860.820.800.821.031.651.241.201.770.570.531.011.11
(Ac)2-L-Lys-D-AlaME2994360.940.900.350.670.690.710.830.900.860.831.291.751.571.001.730.930.940.800.92
3-(4-Hydroxyphenyl)lactateME2992890.960.660.670.900.820.920.840.690.900.851.761.721.820.601.620.460.730.770.78
monomethyl prolineME2991521.070.701.070.830.670.800.930.890.820.891.491.951.631.061.410.360.550.610.80
O-Acetyl-L-homoserineME2992411.030.770.970.760.640.751.000.840.870.831.211.561.681.241.530.600.740.740.88
2-oxobut-3-enanoateME2990941.220.890.750.731.250.740.590.570.940.730.931.980.861.181.850.531.050.690.98
[FA (20:1)] 11Z-eicosenoic acidME2994460.920.800.910.741.251.020.680.880.800.771.391.640.940.581.650.940.800.881.09
FA (17:0)ME2994120.770.880.780.591.280.850.700.640.730.821.331.861.010.911.490.991.060.631.28
FA methyl(14:0)ME2993730.750.910.650.541.070.840.620.610.751.001.242.271.070.711.461.290.950.621.28
FA methyl(18:0)ME2994330.830.991.090.891.381.120.750.830.860.830.891.290.760.871.150.941.031.091.26
Hexadecanoic acidME2993890.790.950.800.571.491.210.730.770.670.711.111.320.931.171.101.021.340.601.39
Tetradecanoic acidME2993580.890.960.750.571.410.760.710.610.750.911.101.521.051.051.131.251.110.681.50
dCMPME2994411.190.660.380.53NANA0.800.500.510.630.921.591.120.731.001.050.87NA1.81
N6-(1,2-Dicarboxyethyl)-AMPME2995310.900.511.290.751.020.370.690.900.590.580.821.651.221.171.221.131.020.432.38
2-(Methylthio)ethanesulfonateME2992271.340.620.750.710.530.400.760.650.991.001.301.681.380.711.130.950.970.572.24
UracilME2991201.480.470.620.810.490.440.660.670.951.021.341.651.400.751.370.810.770.542.30
dTMPME2994561.250.500.560.640.780.420.490.700.650.781.442.261.270.681.440.930.800.672.14
UMPME2994591.400.460.440.790.580.220.500.510.920.891.522.031.300.761.430.900.650.702.36
AMPME2994761.390.500.550.870.560.230.570.650.890.981.322.051.340.741.510.910.670.722.05
phosphinomethylisomalateME2993371.440.500.440.820.510.190.550.640.810.921.332.251.300.711.580.930.630.712.14
FurfuralME2990911.340.800.650.900.780.380.790.730.890.911.071.481.110.801.021.371.330.851.66
Acetyl phosphateME2991851.630.580.590.950.920.370.620.560.780.861.111.661.130.811.231.041.100.871.81
D-Ribose 5-phosphateME2993611.810.540.511.010.970.290.590.620.740.771.031.671.150.801.300.920.900.792.03
CoAME2996491.580.630.710.941.160.490.650.660.981.140.681.241.151.151.230.860.780.871.75
dADPME2995071.670.850.400.970.610.570.931.170.901.030.931.191.221.061.191.030.910.711.43
S-Adenosyl-L-homocysteineME2994961.250.680.631.030.680.540.821.020.981.070.931.531.050.951.310.940.830.881.66
Ethanolamine phosphateME2991860.810.741.971.150.761.010.890.871.101.350.711.041.140.541.160.821.221.330.78
N-AcetylputrescineME2991600.690.841.961.250.591.081.301.381.071.120.920.930.980.771.100.760.770.970.84
dCDP-ethanolamineME2995140.941.292.200.990.440.620.880.970.871.090.511.161.010.891.001.141.131.290.97
CDP-ethanolamineME2995210.570.912.741.060.500.791.101.001.001.220.591.051.300.591.401.131.030.980.59
Cytidine 2^-phosphateME2994580.560.952.600.980.490.831.000.961.001.330.661.101.230.631.311.181.100.960.65
3-nitro-2-butanolME2991391.210.912.041.100.940.440.851.290.830.700.651.330.931.151.280.660.881.010.86
gamma-L-Glutamyl-L-cysteineME2993830.910.622.670.881.170.560.701.030.980.810.641.451.340.901.520.690.510.770.89
ThiaminME2994021.090.772.611.041.021.000.980.701.020.720.990.901.191.040.980.650.610.820.90
GlutathioneME2994420.700.601.600.910.910.611.091.711.141.180.381.591.240.561.521.231.030.590.80
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-myo-inositol)ME2995960.760.701.050.861.380.820.791.121.370.810.811.471.520.751.350.720.851.140.71
OrotateME2992280.670.920.611.221.460.771.080.960.850.941.110.811.110.930.911.102.000.710.89
N-dimethylethanolamineME2990860.801.511.500.731.720.941.320.610.641.430.661.240.830.820.600.621.520.920.73
Tributyl phosphateME2994050.691.161.320.841.281.110.900.690.951.301.421.120.860.890.400.391.910.510.83
D-Sedoheptulose 1,7-bisphosphateME2994931.490.981.580.901.760.640.891.420.840.650.410.600.771.630.900.670.891.450.64
L-OrnithineME2991711.050.841.881.111.940.691.051.240.810.760.540.540.611.450.590.820.860.801.48
N-AcetylornithineME2992721.140.811.591.161.950.740.901.250.950.880.560.620.651.210.800.900.800.751.35
Xanthosine 5^-phosphateME2994881.301.041.580.781.130.770.951.490.820.750.410.740.761.141.090.540.451.661.66
3-PropylmalateME2992781.810.580.801.161.530.640.790.780.850.810.570.790.721.810.730.420.481.511.83
beta-D-DigitalopyranoseME2992811.760.560.701.041.740.640.750.740.820.820.620.730.731.900.700.440.511.411.96
6-Acetamido-2-oxohexanoateME2992961.540.760.921.581.450.580.831.131.200.690.400.810.661.390.650.560.651.861.30
N2-Acetyl-L-aminoadipate semialdehydeME2992971.330.881.081.221.160.560.930.721.200.710.470.930.661.420.910.690.831.701.56
N2-(D-1-Carboxyethyl)-L-arginineME2993801.480.581.421.721.500.590.831.280.800.800.510.720.781.430.920.430.361.451.25
N6-Acetyl-N6-hydroxy-L-lysineME2993301.320.671.691.671.560.740.971.310.920.980.490.670.671.260.760.470.441.211.19
4-Hydroxy-4-methylglutamateME2992791.690.751.360.871.350.630.840.990.860.870.610.780.761.730.860.580.610.951.66
N6-Acetyl-L-lysineME2992991.550.681.611.221.430.680.930.990.940.730.430.690.691.590.640.650.661.301.54
PE(43:4)ME2996961.220.470.670.780.640.631.041.001.271.221.421.240.500.611.271.081.101.761.35
4-TrimethylammoniobutanalME2991550.611.351.240.580.930.871.210.911.030.760.790.481.151.190.691.321.541.940.90
D-CysteineME2991421.021.570.920.620.890.731.531.341.250.960.280.440.770.990.591.581.941.001.20
1-4-beta-D-GlucanME2995790.821.201.150.791.121.360.800.610.900.840.620.830.681.130.682.061.811.210.75
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatrieneME2994900.871.821.040.811.001.300.920.941.100.880.580.490.510.830.601.861.551.410.90
SM(d40:1)ME2996580.691.641.260.900.991.441.190.981.121.210.870.460.500.540.591.521.591.260.78
SM(d18:0/24:1(15Z))ME2996740.771.601.011.020.931.511.030.931.201.030.780.480.590.460.611.631.731.430.76
SM(d18:1/24:1(15Z))ME2996730.741.640.980.960.891.611.250.931.141.170.760.420.560.530.501.821.711.260.70
FA methyl(12:0) dodecanoic acidME2993400.751.060.920.680.961.101.030.840.861.330.861.360.860.910.822.001.130.820.95
FA hydroxy(18:0)ME2994350.931.190.930.701.191.070.900.900.710.940.730.790.791.050.722.551.200.891.08
FA oxo(18:0)ME2994320.861.060.870.661.231.070.990.830.790.931.010.760.911.120.862.101.200.661.17
(E)-3,7-Dimethylocta-1,6-diene-3,8-diolME2992650.991.471.230.790.821.061.310.631.031.140.660.560.870.870.671.831.021.301.13
FA (8:1) octenalME2991481.231.150.801.050.690.900.961.071.201.170.720.300.611.350.851.501.161.291.29
FA (16:2)ME2993841.111.280.660.980.830.821.080.911.291.060.670.270.591.330.771.831.081.321.43
FA (14:2) tetradecadienalME2993341.031.380.760.810.891.011.220.901.021.220.710.320.621.300.741.801.191.191.22
(Z)-2-Methyl-5-isopropylhexa-2,5-dienalME2992201.171.220.770.860.921.020.990.911.061.120.640.410.651.190.681.881.091.181.34
dCDPME2994971.611.220.440.920.480.221.081.180.810.990.741.121.191.511.031.470.810.701.15
D-XylonolactoneME2992081.561.221.220.730.450.450.580.720.670.820.861.471.111.341.190.930.951.451.10
L-Arginine phosphateME2993860.742.011.810.701.190.990.911.490.700.820.440.590.641.451.021.321.110.920.42
CholineME2991080.941.301.590.550.720.680.911.600.870.830.611.151.070.961.221.281.130.920.96
4-TrimethylammoniobutanoateME2991951.071.081.041.190.760.951.241.731.071.030.670.710.711.150.820.890.921.101.12
GTPME2995750.800.961.681.021.190.891.101.801.240.910.510.690.951.281.070.830.820.770.78
Glu-GluME2994171.031.052.051.030.840.751.051.611.030.930.670.930.941.031.110.790.720.780.92
N6-Methyl-L-lysineME2992390.911.021.491.090.810.991.041.781.030.960.840.860.891.160.870.840.740.861.01
Ne,Ne dimethyllysineME2992741.081.011.530.990.750.881.121.980.990.880.790.840.860.981.120.930.750.770.98
O-AcetylcarnitineME2993270.971.500.901.290.751.291.452.040.790.820.550.640.551.380.920.830.920.920.64
CDPME2995020.801.281.090.990.720.651.441.591.141.110.450.641.061.710.911.361.010.790.63
dATPME2995521.111.360.750.811.010.841.101.590.940.920.500.670.871.641.071.041.220.900.77
4,8,12-Trimethyltridecanoyl-CoAME2997170.731.240.970.961.341.561.331.381.030.910.680.810.771.290.830.540.971.270.48
Palmitoyl-CoAME2995640.881.190.861.081.641.441.131.571.020.880.430.620.561.570.850.711.001.090.54
dTTPME2995460.801.071.560.861.520.870.921.280.950.860.530.891.071.411.290.740.790.930.68
UTPME2995490.701.281.400.981.651.031.141.601.040.860.340.530.801.520.960.790.911.090.59
ATPME2995660.741.301.540.891.350.991.111.510.980.920.410.630.871.381.010.971.111.070.55
dGDPME2995110.731.231.500.991.440.861.081.690.990.900.390.630.901.471.110.850.901.040.55
PhosphoenolpyruvateME2992580.541.731.131.021.030.731.251.530.730.750.740.940.881.361.470.800.621.130.60
3-Phospho-D-glycerateME2992930.631.581.191.090.850.831.131.520.820.790.720.920.861.261.390.940.791.170.61
L-GlycericacidME2991140.621.481.191.060.800.861.221.520.850.850.730.910.841.241.420.830.881.190.63
D-Fructose 6-phosphateME2993970.831.781.211.270.931.421.181.020.700.840.740.660.840.861.081.031.151.030.47
D-Glucose 6-phosphateME2993980.631.601.081.181.241.421.251.170.820.890.760.590.841.051.100.901.151.050.38
DeoxyriboseME2991771.450.600.931.360.750.730.861.000.970.960.761.191.041.251.080.320.371.861.34
(R)-3-Hydroxy-3-methyl-2-oxopentanoateME2991981.400.760.841.230.550.500.940.981.011.300.821.411.070.831.160.600.671.301.22
2-(alpha-D-Mannosyl)-3-phosphoglycerateME2994781.810.420.671.560.740.620.830.890.851.040.921.051.040.841.320.570.511.491.55
Imidazol-5-yl-pyruvateME2992231.760.691.031.630.730.780.920.691.011.050.881.210.970.870.930.610.611.111.27
D-GlucuronolactoneME2992761.330.501.121.380.820.991.131.100.951.281.221.081.091.011.050.410.391.150.88
4-Hydroxy-2-oxopentanoateME2991661.040.751.021.480.780.681.091.450.950.980.681.260.910.901.180.550.801.750.89
(S)-2-Aceto-2-hydroxybutanoateME2991970.980.710.951.280.540.901.231.601.191.110.931.111.190.831.030.520.631.381.03
L-AspartateME2991730.591.301.691.041.491.171.330.970.830.920.680.400.701.380.601.231.280.620.99
Glycerone phosphateME2992641.211.031.460.931.410.750.921.110.850.800.610.500.610.960.991.231.491.381.07
SphinganineME2994371.121.070.400.961.620.960.841.330.940.850.600.860.741.090.881.301.310.821.28
FA (20:0)ME2994470.931.161.160.801.731.210.870.870.620.830.590.630.631.450.601.061.291.061.45
Octadecanoic acidME2994250.861.061.020.641.731.190.770.870.690.770.720.870.731.410.781.171.420.691.46
HomoarginineME2993000.980.850.530.950.630.810.881.840.920.841.311.371.250.671.430.950.850.870.98
SlaframineME2993680.950.800.770.960.750.920.861.770.891.010.871.261.320.951.261.010.760.960.95
D-GlycerateME2991130.870.790.691.250.571.011.351.381.391.360.951.141.030.791.160.720.830.870.99
Epsilon-(gamma-Glutamyl)-lysineME2994151.130.990.371.110.730.791.091.501.201.000.591.241.041.031.211.050.811.031.10
NADPHME2996390.871.010.711.071.110.801.321.251.191.270.740.821.081.211.060.900.960.651.05
(S)-MalateME2991760.761.000.851.510.901.031.701.231.221.330.630.700.891.090.880.810.980.730.97
PhosphonoacetaldehydeME2991451.081.110.100.951.060.811.211.081.101.130.830.890.971.191.001.211.151.101.04
5,6-DihydrothymineME2991501.071.220.501.200.861.121.321.491.030.970.820.700.681.100.711.111.290.981.01
PIP(34:1)ME2995290.941.190.400.760.641.301.111.331.211.070.970.751.041.250.791.211.350.890.94
AnthranilateME2991831.221.000.630.941.110.820.890.990.940.870.770.781.731.200.741.010.950.841.37
OrthophosphateME2990931.040.971.280.750.750.790.801.121.180.990.791.020.981.750.800.851.000.761.40
N-Acetyl-L-citrullineME2993442.060.980.921.161.050.620.680.590.880.750.610.600.661.690.760.830.871.021.90
L-GlutamineME2991991.820.910.751.031.120.840.810.580.770.821.020.520.771.750.810.780.780.871.78
DL-Methionine sulfoneME2992871.760.860.901.181.040.870.880.750.900.930.670.600.711.810.650.740.770.931.74
N-hydroxyisoleucineME2992061.760.890.781.071.030.990.940.870.900.840.700.620.751.680.680.880.830.851.66
FagomineME2992051.870.820.891.150.890.620.940.850.990.970.730.710.641.660.710.780.791.021.78
N(pi)-Methyl-L-histidineME2992631.800.870.831.260.950.840.960.960.890.890.870.490.581.700.570.700.751.011.82
4-(Trimethylammonio)but-2-enoateME2991881.540.920.541.131.240.871.041.151.140.800.610.730.581.500.701.010.980.851.53
BetaineME2991341.701.150.630.931.010.771.021.031.050.840.620.570.531.680.621.051.070.741.84
MethylcysteineME2991781.821.150.681.091.140.940.970.760.850.840.700.550.701.450.690.930.940.831.65
2-OxoglutaramateME2991921.530.790.691.120.640.831.061.101.141.210.870.950.881.380.980.570.640.951.51
phosphinomethylmalateME2993381.480.971.321.201.020.750.830.981.000.870.600.790.701.520.820.740.721.251.37
4-Imidazolone-5-propanoateME2992291.540.791.011.220.810.840.981.031.181.160.560.740.781.390.760.620.871.241.51
L-PipecolateME2991541.341.020.931.321.010.811.081.261.030.910.590.650.691.360.690.770.891.251.44
L-CarnitineME2992431.540.940.741.230.810.710.931.111.081.150.610.710.731.490.761.040.970.891.54
N-acetyl -D- glucosaminitolME2993551.471.080.741.090.780.660.981.111.081.100.600.720.741.440.741.121.100.991.52
2,3,4,5-Tetrahydropyridine-2-carboxylateME2991491.621.030.771.170.850.640.870.910.921.000.560.670.681.650.780.971.031.091.69
L-HomocitrullineME2993051.601.000.841.110.890.861.050.940.961.020.710.630.681.480.730.800.911.031.66
N4-AcetylaminobutanalME2991531.561.020.741.170.970.800.961.071.050.900.660.670.721.470.750.790.861.051.66
(R)-3-Amino-2-methylpropanoateME2991061.321.060.690.980.940.881.110.941.050.920.800.900.831.300.751.050.971.171.32
N5-(L-1-Carboxyethyl)-L-ornithineME2993291.330.980.901.231.070.871.051.081.021.030.780.780.761.390.780.800.850.951.28
1-deoxyxylonojirimycinME2991751.371.070.921.170.960.760.971.081.001.050.620.800.751.340.801.070.900.961.40
4-amino-4-deoxy-L-arabinoseME2992111.490.990.771.221.060.881.060.920.941.020.690.690.751.350.790.950.940.921.46
L-CitrullineME2992751.430.990.911.270.770.961.221.051.031.020.910.630.761.270.800.900.850.881.31
AcetoacetateME2990991.321.040.831.160.810.911.021.041.071.120.800.710.801.280.731.041.090.951.32
DeoxymannojirimycinME2992441.491.060.861.040.830.881.141.031.051.100.790.720.751.190.790.960.950.931.44
(2R,4S)-2,4-DiaminopentanoateME2991721.311.181.041.160.911.050.980.920.931.080.910.660.801.270.780.831.080.831.20
3-DehydroquinateME2993061.581.220.731.110.621.041.021.080.981.100.780.700.751.270.770.901.140.851.30
HypotaurineME2991151.301.220.630.790.980.941.041.081.070.990.650.630.641.380.761.301.261.051.40
N-AcetylmethionineME2993121.541.030.940.850.810.710.940.970.930.950.650.780.641.570.891.001.320.761.59
TaurineME2991461.341.150.760.871.060.930.970.920.940.970.850.690.661.660.721.001.130.821.44
Cys-SerME2993331.851.030.920.691.000.580.680.690.720.720.690.850.831.870.891.061.140.651.79
dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannoseME2995951.731.140.841.110.960.610.910.870.781.020.540.850.661.260.931.120.870.871.75
dUMPME2994431.601.290.580.810.910.400.901.070.680.770.861.060.891.370.941.321.010.711.60
10-FormyltetrahydrofolateME2995411.420.821.001.651.420.391.410.951.051.140.300.520.750.920.890.880.851.111.57
L-IsoleucineME2991631.410.860.851.151.731.221.130.821.190.981.170.510.910.660.650.730.830.801.21
L-ValineME2991351.540.860.961.201.541.191.090.871.010.940.890.550.850.830.600.760.920.981.30
L-LeucineME2991641.760.900.981.081.561.080.980.711.080.870.700.460.870.790.610.911.030.931.58
L-MethionineME2992091.940.920.891.381.451.101.030.671.050.930.720.330.570.970.450.820.921.061.64
PE(P-38:2)ME2996410.821.191.911.191.101.270.991.071.120.950.780.800.710.730.710.800.621.660.87
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphothreonineME2996640.881.001.701.121.060.971.121.011.171.180.700.760.781.020.761.060.911.300.88
CholesterolsulfateME2995331.081.021.511.461.171.010.970.940.950.900.630.640.690.970.810.950.941.461.06
N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradecasphing-4-enineME2996381.020.821.631.301.211.020.860.821.140.900.720.890.870.950.940.860.681.430.98
NADHME2996081.130.841.331.051.570.600.981.101.001.040.560.820.961.430.910.650.651.211.16
N2-Acetyl-L-aminoadipateME2993261.320.931.370.951.450.600.880.910.870.920.781.050.900.951.020.880.951.181.07
UDP-glucoseME2995890.970.931.661.191.340.770.940.960.861.020.750.951.040.951.090.890.880.970.89
UDP-N-acetyl-D-glucosamineME2995990.971.081.480.971.500.660.890.950.900.940.720.870.981.150.991.020.981.020.96
Glu-Glu-GluME2995051.040.971.611.351.160.670.971.241.120.850.630.920.861.121.090.700.711.110.96
L-AsparagineME2991681.020.981.500.960.880.751.121.241.021.000.650.920.971.020.960.991.071.201.02
D-XyloseME2992141.020.821.601.191.060.761.041.141.111.140.740.900.920.980.890.800.851.261.01
NAD+ME2996071.060.991.361.170.970.781.041.180.981.060.781.010.980.861.110.810.791.180.97
GDP-mannoseME2995980.830.591.701.271.390.891.091.271.021.160.880.901.130.701.280.660.720.710.90
10-FormyldihydrofolateME2995380.890.861.871.421.040.950.961.070.901.210.930.870.881.150.880.550.660.990.96
L-LysineME2992011.000.731.651.391.241.431.040.851.130.961.160.680.970.810.810.590.611.150.79
GuanosineME2994241.300.561.171.181.761.030.640.911.890.640.560.801.011.061.000.610.511.081.16
PI(22:4(7Z,10Z,13Z,16Z)/0:0)ME2996040.930.591.301.051.781.010.730.941.470.910.661.061.010.831.180.570.731.260.95
Lacto-N-tetraoseME2996211.290.810.841.031.510.720.710.841.020.760.761.131.061.271.300.700.650.981.24
PC(O-36:3)ME2996511.220.701.301.241.471.130.970.971.160.850.830.860.721.060.890.600.541.111.12
[SP] 1-deoxy-sphinganineME2994261.160.591.151.261.260.940.881.060.830.880.961.041.111.201.140.440.421.181.20
Asn-Gln-Tyr-TyrME2995931.181.171.071.381.460.930.790.850.700.790.600.680.731.790.780.810.750.981.25
Ala-Asp-GlyME2994001.111.211.070.771.370.770.940.950.870.910.680.851.071.221.030.931.001.370.86
D-Sedoheptulose 7-phosphateME2994281.621.201.040.841.470.670.820.840.650.650.700.970.801.510.950.760.861.371.02
LysoPC(O-16:1)ME2995431.371.070.961.521.000.850.851.010.860.870.780.770.621.230.721.120.881.321.18
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamineME2995171.171.180.931.600.870.710.890.800.690.820.950.790.791.170.880.910.911.711.14
LysoPE(18:1)ME2995321.270.840.791.261.180.610.760.930.480.840.881.061.051.391.060.640.571.671.38
LysoPC(O-18:2)ME2995701.330.920.981.191.520.830.830.850.850.671.010.990.840.960.880.840.731.461.14
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamineME2995361.180.970.831.291.260.750.820.840.620.920.940.970.951.111.040.810.691.691.14
sn-glycero-3-PhosphoethanolamineME2993411.121.020.661.361.420.700.880.800.780.970.831.041.001.021.140.790.801.431.01
sn-Glycerol 3-phosphateME2992661.361.000.831.130.890.810.900.820.991.110.940.991.040.871.020.831.011.181.20
SuccinateME2991361.680.990.701.260.870.630.800.710.901.040.900.960.961.061.010.640.891.331.42
3-MethylguanineME2992481.320.960.731.030.840.790.750.750.961.131.071.291.071.341.250.710.650.781.19
p-aminobenzoyl glutamateME2994031.291.060.801.180.890.800.730.680.951.281.011.280.921.241.140.720.730.761.21
octulose 8-phosphateME2994551.470.890.961.160.920.650.720.770.760.780.821.131.051.491.180.660.711.111.39
alpha-D-Glucosamine 1-phosphateME2993951.250.860.921.220.790.700.780.890.830.850.891.191.151.231.280.680.701.261.23
GlycerophosphoglycerolME2993781.140.850.911.260.740.730.810.960.910.920.921.271.171.151.350.620.661.301.11
N-Methylethanolamine phosphateME2992240.980.780.640.990.680.791.150.870.920.951.161.271.281.021.460.800.881.141.06
3-beta-D-Galactosyl-sn-glycerolME2993871.170.760.581.100.850.981.091.101.081.111.031.161.151.091.270.500.611.161.03
D-GlutamateME2992031.100.670.771.080.811.020.890.801.001.031.271.091.231.151.220.660.681.071.20
5-6-DihydrouridineME2993791.250.940.650.811.150.770.920.870.800.921.101.191.221.121.160.830.960.881.17
PseudouridineME2993771.161.080.550.881.140.820.921.120.911.010.891.001.081.211.131.030.990.781.14
PI(40:8)ME2997091.110.760.730.981.240.850.870.991.001.001.011.140.981.041.080.800.771.031.40
PI(38:6)ME2997051.010.790.540.931.100.950.980.910.930.841.141.170.991.261.230.780.771.091.30
PI(34:2)ME2996890.880.920.620.870.980.981.141.041.050.931.121.211.061.091.230.770.861.021.09
PI(36:3)ME2997020.850.810.660.861.020.971.130.991.010.971.201.281.131.081.230.740.831.001.08
Succinate semialdehydeME2991001.020.840.891.340.761.040.930.840.931.131.341.151.190.970.900.800.950.781.01
Orotate(Fragment)ME2991191.060.640.851.051.370.900.920.790.951.071.081.031.200.631.050.921.091.101.20
2-acetamidoglucalME2993250.950.950.811.211.300.890.940.831.031.021.181.061.200.761.200.860.880.810.93
N-Acetyl-D-glucosamineME2993510.920.880.831.341.320.840.900.810.971.001.181.011.170.781.180.900.870.841.04
Ile-Phe-Pro-ProME2995400.971.010.830.910.761.090.841.241.121.040.950.961.261.261.080.901.050.750.93
PIP(36:1)ME2997150.900.770.910.850.781.100.911.301.241.060.850.881.151.311.061.201.170.790.91
Phe-Val-Pro-ProME2995300.971.090.410.980.751.251.011.331.281.010.980.941.191.171.050.911.100.630.87
PIP(34:2)ME2995281.030.830.581.130.941.160.921.261.251.081.040.961.211.240.990.710.780.810.91
Ala-Leu-Phe-TyrME2995711.160.971.031.050.991.310.760.981.231.030.960.951.081.340.950.630.930.690.76
Ala-Phe-Val-TyrME2995610.980.921.221.181.111.171.020.981.391.190.750.990.861.230.880.510.940.621.03
PIP(16:0/20:2(11Z,14Z))ME2997130.951.170.960.720.820.981.131.241.111.140.870.701.061.350.681.201.201.080.91
PIP(38:4)ME2995481.041.061.000.780.831.261.071.211.211.160.710.620.971.480.661.031.060.951.07
6-Amino-2-oxohexanoateME2991931.220.910.801.011.220.980.971.110.981.100.940.720.771.300.900.900.870.891.32
CreatineME2991621.191.030.650.961.061.161.031.160.880.900.990.810.961.360.820.911.070.711.20
HomostachydrineME2992301.300.980.651.241.031.130.971.040.840.821.130.880.841.320.850.730.850.831.24
PE(32:1)ME2996140.911.210.870.911.171.251.111.251.291.160.760.730.791.040.761.091.180.850.86
PA(34:1)ME2996100.971.170.720.931.131.301.021.111.250.970.880.730.851.110.920.981.030.921.01
PA(34:2)ME2996090.961.070.780.951.311.251.131.151.260.980.800.800.841.090.880.940.970.930.96
PE(36:5)ME2996330.980.951.010.821.211.341.041.041.291.080.740.810.921.050.911.061.070.880.90
PA(38:4)ME2996260.990.901.081.031.161.201.131.071.161.060.750.800.931.160.930.820.960.990.95
PE(36:3)ME2996351.021.011.080.961.091.241.021.021.201.110.770.800.921.140.810.941.051.030.89
PA(36:4)ME2996151.000.941.021.061.201.421.121.101.180.920.710.780.851.220.850.830.801.080.94
PA(36:3)ME2996161.061.030.831.051.251.390.941.091.050.900.790.840.951.101.020.760.970.910.93
PA(36:2)ME2996181.010.991.070.931.111.151.061.091.150.880.870.840.851.180.920.980.990.961.01
PA(38:5)ME2996251.010.950.981.081.251.230.961.051.080.800.800.830.971.181.010.880.940.861.04
PA(38:6)ME2996241.040.931.000.981.191.290.970.971.040.860.810.810.881.190.960.960.941.011.09
Ala-Leu-Phe-PheME2995581.280.880.871.010.991.060.851.241.041.040.750.810.991.560.940.830.880.771.08
PIP(16:0/22:4(10Z,13Z,16Z,19Z))ME2997161.040.860.991.000.901.171.031.381.301.030.730.810.801.430.790.871.010.851.12
PIP(36:2)ME2997140.910.791.080.950.841.121.001.361.140.960.830.871.101.320.990.880.910.901.09
FA oxo(16:0)ME2994110.881.020.850.741.021.270.920.820.901.091.160.880.971.141.051.201.210.761.06
PS(36:4)ME2996550.911.170.810.910.721.231.181.121.241.000.990.960.811.060.810.881.111.260.96
PI(34:1)ME2996920.811.110.570.870.810.981.201.041.050.931.131.120.991.071.120.971.170.941.08
PS(34:2)ME2996450.841.140.580.910.601.111.221.091.230.891.191.140.960.961.130.931.011.120.97
1-O-Octadec-9-enyl glycerolME2994741.041.211.401.170.680.840.920.940.790.960.840.830.851.110.881.081.061.541.03
1-O-Hexadecyl-sn-glycerolME2994511.091.441.251.150.690.870.880.820.850.930.870.830.821.090.801.141.131.460.99
HexadecanalME2993701.091.461.301.190.650.880.880.870.850.960.860.830.811.090.761.181.051.421.01
1-O-Octadecyl-sn-glycerolME2994751.081.111.321.020.590.930.930.940.930.970.980.880.891.170.900.850.931.521.17
OctadecanalME2994101.141.031.501.050.710.900.941.100.801.050.880.820.781.200.800.870.851.581.18
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganineME2995881.001.251.650.951.010.890.850.840.720.980.910.870.861.050.751.111.211.261.00
N-(octadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamineME2996060.771.051.311.100.761.031.050.931.061.160.990.971.060.830.790.991.091.550.81
Sphingomyelin(d18:1/12:0)ME2996030.780.991.341.010.761.011.110.861.131.111.011.021.140.930.830.821.031.570.80
SM(d35:1)ME2996230.810.951.250.880.880.950.910.851.021.031.141.121.210.981.080.891.001.180.92
SM(d33:1)ME2996130.741.021.190.980.851.000.970.841.031.021.071.051.140.931.021.051.031.250.91
SM(d34:1)ME2996200.831.081.270.940.861.010.990.871.071.070.980.961.030.960.941.071.091.210.93
PE(P-38:3)ME2996400.841.111.560.930.880.950.850.881.081.080.850.930.931.050.831.061.121.350.96
SM(d32:1)ME2996110.811.231.401.010.900.970.970.801.080.990.940.950.960.910.871.121.081.340.88
Cer(d33:1)ME2995770.861.061.350.970.990.930.960.870.851.001.001.130.961.140.990.901.001.120.92
Cer(d35:1)ME2995860.961.151.480.880.950.850.820.800.880.971.011.081.061.030.991.070.921.130.99
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineME2995820.961.221.450.981.010.940.850.810.830.970.970.960.981.000.821.141.011.180.98
PC(P-38:3)ME2996631.120.821.741.111.231.100.870.901.031.060.980.800.751.270.680.560.541.391.08
1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerolME2995941.210.801.191.111.241.140.860.921.011.090.960.880.841.170.860.560.711.261.09
PG(O-36:2)ME2996461.200.811.221.091.171.120.840.921.071.000.930.880.871.200.880.610.691.271.12
PC(P-36:2)ME2996521.020.881.631.091.181.000.900.801.061.040.920.940.841.120.870.730.741.300.97
PG(O-36:3)ME2996441.030.901.311.041.081.110.910.921.180.981.000.900.911.120.900.670.811.181.02
PS(O-36:2)ME2996540.960.911.381.101.031.080.941.031.091.140.880.940.891.040.830.750.821.271.03
PS(O-36:3)ME2996530.970.911.471.111.011.070.941.071.131.180.890.920.881.030.800.730.801.260.99
Docosanoic acidME2994730.991.121.271.041.211.201.000.940.780.980.860.860.721.200.830.730.881.221.11
[FA (24:0)] 15Z-tetracosenoic acidME2994891.080.861.431.121.241.031.020.920.780.880.840.880.901.080.930.690.711.481.12
PG(40:4)ME2996821.170.951.651.250.741.221.010.880.920.900.980.820.840.870.900.660.781.521.02
PG(40:5)ME2996811.240.951.391.180.801.150.890.820.920.861.040.900.910.930.920.710.811.451.09
PG(40:7)ME2996781.320.891.141.250.911.080.760.820.800.831.150.930.970.971.050.650.701.451.13
PS(40:2)ME2996990.980.921.391.240.801.190.870.910.940.930.980.970.851.100.930.660.781.571.00
PS(38:1)ME2996761.090.941.171.090.851.110.790.850.910.951.111.100.960.970.970.740.821.411.08
PS(40:3)ME2996981.060.921.231.130.861.120.800.860.910.861.060.980.981.150.940.740.821.431.08
PS(40:4)ME2996971.050.931.161.110.841.090.820.860.920.881.081.010.991.111.050.740.881.410.99
N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamineME2996050.960.951.181.060.931.101.101.061.061.060.900.881.010.761.010.770.811.501.03
PS(38:4)ME2996721.021.021.141.090.811.110.921.011.211.120.920.870.811.080.810.910.931.311.05
PC(42:10)ME2997001.350.870.860.841.260.890.800.770.890.961.070.870.921.560.900.740.760.921.44
PC(42:8)ME2997011.300.920.900.841.110.960.830.790.890.941.130.960.891.470.940.700.751.031.36
PE(P-20:0)ME2995561.270.911.221.131.020.850.920.850.840.900.930.890.991.210.930.700.691.221.36
PC(44:8)ME2997071.060.941.031.000.951.200.820.741.050.990.920.911.061.290.910.800.851.141.20
PC(44:9)ME2997061.241.011.120.891.010.970.780.780.751.040.961.010.951.280.910.830.971.031.27
PC(40:9)ME2996831.180.821.000.961.080.901.170.830.930.941.210.970.921.280.980.700.841.001.15
PI(40:6)ME2997101.120.880.870.861.050.860.900.820.840.761.011.160.941.331.040.921.020.971.42
L-AlanineME2990851.201.031.100.920.910.831.060.960.970.970.770.940.911.250.910.931.051.121.19
PI(38:4)ME2997081.070.851.060.991.070.971.100.971.080.950.871.000.811.210.920.800.831.101.32
PI(40:4)ME2997121.060.851.051.001.020.901.010.910.920.850.931.090.881.230.970.830.931.151.32
PI(40:5)ME2997111.120.900.990.951.060.880.980.910.890.810.981.070.901.240.890.910.971.101.34
PE(42:6)ME2996770.931.060.850.830.920.950.860.780.861.051.221.111.091.101.120.991.071.051.03
PE(42:7)ME2996750.971.080.810.870.721.041.030.810.921.031.231.201.181.091.030.960.960.841.07
PI(36:1)ME2997040.881.020.950.810.880.881.070.910.960.871.121.281.040.991.180.991.070.951.09
PI(36:2)ME2997030.910.861.060.840.980.871.060.910.930.841.131.271.071.111.210.780.851.061.11
PC(34:2)ME2996430.911.200.721.010.931.050.950.871.061.151.061.040.931.020.990.951.171.040.92
PE(40:4)ME2996621.050.980.710.930.781.071.040.811.051.261.070.980.991.101.051.011.031.150.95
PE(42:4)ME2996801.161.081.021.060.831.090.900.790.881.011.271.090.661.080.830.961.051.250.97
PE(O-36:2)ME2996310.990.981.190.960.961.091.000.860.961.041.220.881.080.991.040.700.881.260.91
PC(40:7)ME2996861.010.991.130.940.901.060.930.850.990.981.140.980.981.200.920.910.891.131.01
PC(40:8)ME2996840.980.991.210.990.911.060.990.910.991.041.050.910.931.200.950.880.911.130.98
PC(36:2)ME2996571.021.101.140.830.870.980.830.820.921.021.111.020.921.111.000.981.091.230.99
PC(38:5)ME2996681.031.050.940.790.901.040.930.810.921.011.151.060.971.161.040.981.061.130.98
PS(40:5)ME2996931.071.021.000.970.841.010.830.860.960.971.101.071.021.120.980.900.951.211.05
PS(40:6)ME2996901.091.001.010.930.881.040.860.950.950.921.091.030.981.110.900.941.031.221.03
PC(38:4)ME2996710.991.081.021.050.841.070.940.810.941.071.081.030.941.080.970.961.031.200.89
PC(38:6)ME2996651.021.010.941.000.861.100.920.830.951.051.111.010.941.151.020.931.021.120.96
PC(40:4)ME2996951.021.111.161.040.841.060.910.860.861.011.100.930.931.140.891.001.090.961.05
PC(40:5)ME2996911.081.151.091.000.851.040.920.820.880.991.100.970.941.210.790.811.061.181.06
PC(40:6)ME2996881.041.091.071.000.861.010.950.860.941.011.120.990.971.200.660.971.031.201.05
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerolME2995971.020.961.100.920.960.980.830.930.981.101.131.151.061.031.010.790.970.981.02
PE(42:5)ME2996791.001.120.970.900.840.940.870.810.960.921.291.071.061.171.030.810.991.091.04
PS(36:0)ME2996601.040.991.060.940.851.060.810.840.890.871.181.121.031.111.100.740.911.251.05
Tetracosanoic acidME2994910.951.101.160.981.041.240.841.010.810.991.001.080.850.951.040.730.731.121.23
PS(38:6)ME2996671.020.910.841.050.831.131.071.051.000.941.120.920.871.040.980.860.801.281.23
PE(P-36:0)ME2996321.190.930.760.991.211.270.861.071.030.811.050.850.870.971.100.830.851.051.13
PE(39:2)ME2996561.151.011.050.930.901.220.831.061.080.811.190.871.020.951.030.790.800.961.19
PE(O-36:3)ME2996291.200.870.981.061.001.130.921.011.060.961.160.880.921.091.060.740.721.080.95
CDP-cholineME2995510.940.711.681.110.610.630.760.780.991.210.801.361.200.851.341.020.951.021.13
CMP-N-trimethyl-2-aminoethylphosphonateME2995390.991.071.431.010.520.780.961.070.851.090.831.291.181.011.220.870.910.941.02
Propanoyl phosphateME2992221.021.191.520.840.740.690.871.110.951.050.771.111.110.951.170.991.031.011.02
Arg-Thr-Thr-AspME2995530.920.941.221.130.770.781.131.231.051.110.821.111.090.981.320.800.730.831.07
N-Carbamyl-L-glutamateME2993071.111.011.161.100.700.851.010.941.051.080.921.021.071.031.151.030.820.970.99
CMPME2994571.140.800.841.050.900.530.830.911.161.000.801.191.361.131.171.160.790.941.21
N4-(Acetyl-beta-D-glucosaminyl)asparagineME2994701.210.860.750.900.930.650.840.860.960.860.911.331.281.151.330.880.801.101.16
dGMPME2994771.320.850.841.291.000.560.941.161.081.100.721.051.221.111.150.830.770.921.00
UDPME2995041.260.930.791.130.960.580.951.001.121.090.730.991.161.221.050.970.880.971.16
ADPME2995101.090.910.981.110.950.671.011.151.091.140.791.011.221.111.040.990.920.980.91
GDPME2995191.130.931.121.140.920.640.931.271.181.020.720.971.091.260.930.930.840.921.10
nonulose 9-phosphateME2994801.221.030.841.040.730.690.880.990.920.910.871.151.051.211.180.940.891.021.30
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphateME2995031.231.100.760.871.080.710.900.911.041.040.791.051.031.261.030.880.930.961.27
FMNME2995271.250.930.821.040.970.830.870.940.931.010.811.071.051.231.120.840.830.991.27
Acetyl-CoAME2996701.241.020.801.040.830.731.021.050.941.060.781.011.141.261.190.990.990.831.01
D-myo-Inositol 1,2-cyclic phosphateME2993711.201.000.750.860.770.770.971.041.001.090.861.171.121.251.180.920.920.801.19
L-CystathionineME2993531.261.010.830.950.800.711.051.181.051.070.720.950.911.411.160.950.830.841.28
N-Glycolyl-D-mannosamine 6-phosphateME2994521.310.920.720.900.790.721.050.961.031.020.751.141.041.321.011.140.870.931.29
DeoxycytidineME2993571.221.040.891.070.621.031.151.091.081.050.930.810.901.260.940.900.960.881.19
D-Gluconic acidME2993141.091.020.851.050.820.871.111.191.151.220.830.940.971.101.070.920.930.861.08
N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol)ME2996941.071.200.961.090.950.941.211.051.111.140.500.800.811.130.941.090.991.141.05
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiopheneME2993461.111.110.950.840.780.721.161.181.121.140.700.960.881.171.031.161.031.041.12
D-Glucono-1,5-lactoneME2992801.011.100.870.860.790.751.241.421.211.140.610.920.881.171.011.151.021.071.06
Choline phosphateME2992921.371.050.940.990.820.660.891.200.911.010.640.980.781.101.071.220.991.391.14
aeruginosin AME2993851.081.151.020.771.020.800.991.111.170.950.590.930.811.060.911.381.311.021.18
L-ArginineME2992731.051.041.110.931.060.710.881.061.021.090.610.981.081.111.081.281.040.901.07
DihydrogenphosphateME2990921.221.180.990.970.890.520.991.070.930.940.701.010.881.321.051.061.221.051.05
Cys-Lys-Cys-CysME2995261.201.020.921.091.330.620.830.921.061.050.641.050.801.130.990.921.081.271.08
sn-glycero-3-Phospho-1-inositolME2994671.051.101.051.071.020.770.970.971.071.070.790.980.951.051.010.960.981.171.02
ButanoylphosphateME2992591.081.130.901.171.120.740.940.940.891.080.770.970.941.131.071.021.011.060.99
2-HydroxyethylphosphonateME2991471.101.130.921.131.190.790.890.960.920.960.760.950.921.101.060.981.081.061.03
Hydroxyacetone phosphateME2992211.071.140.911.171.140.740.870.990.981.020.730.930.891.141.030.951.031.131.10
sn-glycero-3-PhosphocholineME2993901.091.150.911.121.150.770.910.980.931.010.730.950.911.101.011.021.061.131.07
Ovothiol AME2993211.130.991.350.741.060.680.991.391.171.010.511.060.921.261.210.920.890.731.10
2-(alpha-Hydroxyethyl)thiamine diphosphateME2995371.210.770.901.171.070.771.011.290.970.980.721.061.031.251.200.620.631.101.12
2-MethylaminoadenosineME2994301.210.951.151.090.920.600.771.400.990.920.551.081.261.261.310.640.630.931.22
Trypanothione disulfideME2994861.221.031.311.020.920.630.821.251.020.940.631.041.131.211.200.740.710.901.20
deacetylcolchicineME2994851.151.201.010.851.110.980.930.450.821.061.320.610.971.470.541.021.121.031.21
TetraethylammoniumME2991571.061.281.620.631.051.161.340.730.871.210.590.760.931.030.520.931.171.341.08
[FA (6:0)] hexanalME2990961.031.321.031.080.800.940.971.021.071.450.730.720.641.370.750.861.710.850.91
L-HistidineME2992251.311.181.320.790.760.991.020.760.961.080.810.660.821.390.631.061.250.961.35
L-ProlineME2991291.301.561.191.140.680.811.071.030.911.080.530.580.661.300.751.141.161.041.24
[FA (22:1)] 13Z-docosenoic acidME2994711.071.751.110.761.100.810.850.900.980.880.941.080.721.100.751.430.941.060.80
Ethyl (R)-3-hydroxyhexanoateME2992371.061.421.010.801.490.640.780.600.850.820.821.061.351.200.680.971.680.790.87
FA oxo(8:0) oxo-octanoic acidME2992331.011.060.990.821.560.790.910.681.041.000.980.911.141.050.761.141.300.861.00
CHAPSME2996011.251.170.930.731.180.720.880.860.910.890.740.880.911.440.891.281.190.921.20
Thiamin diphosphateME2995081.221.111.080.851.270.590.780.930.900.900.740.990.921.321.051.181.180.681.22
[FA (7:0/2:0)] Heptanedioic acidME2992361.021.591.170.741.260.720.980.840.810.960.691.050.901.210.880.971.560.740.91
[ST hydrox] 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic AcidME2994981.041.641.170.841.050.711.041.000.970.910.571.010.751.100.891.311.540.840.79
3-Methylbutanoic acidME2991010.981.241.110.910.860.860.870.850.821.081.051.121.101.020.920.941.440.920.93
4-Hydroxyhexan-3-oneME2991330.911.201.000.781.170.840.920.800.981.030.821.000.961.120.991.221.330.841.11
FA oxo(7:0)ME2991900.911.351.030.791.030.730.980.720.881.170.761.080.981.250.801.101.580.901.05
BergaptolME2993220.841.300.940.610.790.981.100.621.241.121.130.900.651.000.531.281.691.611.07
2-chlorohexadecanolME2994180.991.420.960.820.750.621.121.020.971.000.620.920.781.301.111.421.191.171.03
FA (8:0) octanoic acidME2991910.981.241.070.850.940.910.950.951.031.050.820.890.891.020.851.561.310.920.97
FA methyl(6:0)ME2991590.901.251.050.840.970.980.980.921.001.070.870.780.841.080.751.661.351.020.95
FA hydroxy(10:0)ME2993010.971.391.160.930.890.951.130.941.111.130.610.660.681.210.721.421.481.060.91
CAPSME2993521.031.411.060.841.030.751.010.991.061.010.580.770.721.280.771.471.391.011.06
PIPESME2994381.141.371.040.831.150.680.960.940.941.030.560.760.721.350.791.461.420.961.08
PE(36:4)ME2996340.811.310.850.770.591.011.341.001.081.200.980.870.710.920.821.251.701.300.93
4-Hydroxyphenylacetylglutamic acidME2994210.691.451.310.710.620.840.990.811.131.161.170.891.080.870.541.261.501.401.02
Arg-Lys-Pro-HisME2995800.871.121.150.760.970.870.960.851.061.121.320.751.051.090.711.211.291.130.91
1-18:2-2-18:2-monogalactosyldiacylglycerolME2996610.881.210.890.700.800.871.050.691.071.251.150.941.101.020.901.101.361.141.01
HydantoinME2990950.911.220.980.820.790.911.040.840.981.361.050.930.981.110.890.931.351.280.83
UrocanateME2991840.821.250.960.790.730.950.950.800.921.191.021.260.950.980.671.351.521.090.97
PE(36:2)ME2996370.801.411.080.680.650.861.240.841.051.090.950.890.920.910.701.461.721.330.89
tropineME2991870.831.251.160.810.810.891.000.781.011.101.020.800.860.910.771.441.591.550.83
Arg-Phe-Phe-ArgME2996020.801.391.030.710.730.880.950.730.991.031.000.960.970.960.731.441.591.420.98
(S)-2-AminobutanoateME2991030.921.321.150.770.690.831.040.790.991.020.991.000.950.950.691.561.421.310.94
[FA amino(4:0)] 2R-amino-butanoic acidME2991040.871.451.030.750.860.771.100.841.070.950.960.930.960.940.741.351.321.341.01
PE(40:6)ME2996590.951.350.970.750.780.961.120.931.060.990.880.900.990.960.811.311.181.400.93
PE(38:4)ME2996500.861.311.140.790.660.941.160.891.101.091.000.860.950.880.811.291.371.450.84
PE(P-34:1)ME2996190.821.431.120.950.860.961.040.881.031.110.950.750.870.880.741.291.431.310.86
PE(P-34:2)ME2996170.811.430.991.000.760.941.080.860.971.110.970.830.870.920.751.211.381.480.90
PE(38:5)ME2996480.821.270.900.740.700.861.150.841.101.051.050.910.881.100.851.431.441.250.95
PE(38:6)ME2996470.921.300.860.980.730.951.090.890.981.100.940.870.931.040.831.271.431.210.90
PE(P-36:3)ME2996270.901.231.030.830.821.021.090.830.971.140.960.900.921.110.781.191.451.260.83
PE(P-36:1)ME2996300.851.201.160.710.950.831.140.811.011.061.100.910.981.030.841.141.331.190.97
PE(P-36:2)ME2996280.951.211.210.850.850.881.030.841.021.061.030.970.991.050.811.011.181.240.95
Gln-Leu-Lys-TyrME2995850.891.301.220.590.790.930.960.830.991.080.980.950.951.070.691.241.371.421.02
TerephthalateME2992510.921.091.240.740.740.771.060.941.031.140.950.911.011.100.781.231.391.301.00
Cys-Leu-Cys-TyrME2995630.771.361.130.880.780.801.090.770.971.040.970.831.061.010.731.321.451.261.04
3-Cyano-L-alanineME2991280.881.321.020.780.800.811.000.800.991.070.970.931.061.010.821.151.391.420.99
4-HydroxyphenylglyoxylateME2992520.821.341.060.760.710.771.000.780.971.031.090.911.001.100.771.191.361.220.93
OxalateME2990870.751.381.150.800.810.801.040.860.931.031.100.910.980.970.781.181.451.321.00
methylmethanesulfonateME2991160.961.341.130.770.780.801.060.901.021.030.910.830.881.130.851.271.541.120.94
PhthalateME2992500.961.311.190.770.880.760.960.851.031.080.910.880.911.040.781.171.431.271.06
Cys-Met-Phe-ThrME2995620.901.251.250.750.800.851.030.800.961.060.910.900.941.080.801.221.481.291.01
OctylamineME2991560.861.291.260.830.800.801.050.821.001.090.980.950.951.050.751.171.401.240.96
Ala-Met-Asp-TyrME2995600.851.291.170.760.860.881.010.801.021.100.990.960.980.980.761.191.501.210.95
Betaine aldehydeME2990970.821.311.060.760.850.981.050.830.981.070.930.930.931.050.741.251.511.250.94
methylphoracetophenoneME2992900.811.341.180.710.790.801.010.791.021.100.950.960.991.010.821.281.501.330.92
Asp-Met-Phe-SerME2995590.891.301.200.750.790.791.060.831.031.150.940.910.970.990.811.321.471.140.98
TrimethylaminoacetoneME2991300.901.311.120.720.790.811.050.841.001.200.860.980.920.980.811.351.501.230.96
N-methylalanineME2991071.411.340.980.650.750.621.030.961.151.190.810.850.790.860.771.241.291.251.36
1-(O-alpha-D-glucopyranosyl)-(3R,29S,31R)-dotriacontanetriolME2996121.171.221.030.910.900.880.820.900.920.950.920.830.921.260.790.791.401.341.07
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-oneME2992351.001.181.360.810.820.870.900.961.011.080.790.950.921.100.711.021.491.251.04
L-3-Amino-isobutanoateME2991051.341.280.900.920.810.800.930.921.171.070.690.840.771.140.731.181.161.301.22
L-ThreonineME2991381.321.211.011.080.830.850.941.111.181.010.660.760.721.220.821.001.131.061.21
L-Glutamate 5-semialdehydeME2991611.101.151.261.040.600.881.031.141.181.170.760.770.881.060.731.171.271.031.10
L-SerineME2991121.121.221.210.980.840.821.191.081.131.040.640.810.811.000.741.191.341.071.08
3-(Pyrazol-1-yl)-L-alanineME2992261.161.261.150.850.900.831.050.781.021.090.850.770.851.060.721.201.271.231.17
Asp-Lys-Lys-TyrME2995871.131.141.001.010.950.871.000.961.031.090.820.970.840.900.841.211.181.360.90
cis-2-hydroxypenta-2,4-dienoateME2991261.500.590.621.321.170.860.670.580.981.051.331.141.200.471.070.651.211.181.16
5-HydroxypentanoateME2991370.950.840.851.221.541.271.070.881.011.121.350.860.941.000.830.690.950.770.69
FolateME2995181.120.940.791.121.541.170.990.791.251.181.000.750.930.810.780.930.921.000.95
Bathocuproine disulfonic acidME2993991.340.951.131.471.631.060.760.570.640.701.370.701.170.720.890.850.841.060.78
GlucosylgalactosylhydroxylysineME2995501.131.271.101.211.230.940.870.640.680.721.181.171.220.710.671.161.131.060.73
N-UndecanoylglycineME2993750.050.430.120.060.170.360.690.140.160.170.020.070.060.060.0616.960.192.380.05
N-DecanoylglycineME2993590.150.740.460.200.430.450.680.270.310.35NA0.260.240.160.2611.780.571.650.15
N-NonanoylglycineME299342NA0.460.17NA0.370.230.550.200.150.160.060.100.200.100.149.560.261.320.06

Factors:

F1Drug treatment:DMSO
F2Drug treatment:MMV099637
F3Drug treatment:MMV652003
F4Drug treatment:MMV676600
F5Drug treatment:MMV676604
F6Drug treatment:MMV687706
F7Drug treatment:MMV688179
F8Drug treatment:MMV688271
F9Drug treatment:MMV688279
F10Drug treatment:MMV688467
F11Drug treatment:MMV688776
F12Drug treatment:MMV688796
F13Drug treatment:MMV688797
F14Drug treatment:MMV688798
F15Drug treatment:MMV688958
F16Drug treatment:MMV689028
F17Drug treatment:MMV689029
F18Drug treatment:MMV690027
F19Drug treatment:MMV690028
Data matrix
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