Clustering data with hclust algorithm for (Study ST004035)

(Analysis AN006673)
MetaboliteStructureF1F2F3F4F5F6F7F8
3-hydroxyadipateME10712840.260.320.140.230.285.280.171.31
3-hydroxybutyrate (BHBA)ME10707090.160.250.130.070.273.610.243.26
4-ethylphenylsulfateME10711540.110.101.180.190.150.291.013.94
phenylacetylcarnitineME1071321NA0.251.100.270.811.121.063.77
gluconateME10707240.230.240.390.220.510.511.334.58
guanidinosuccinateME10710140.520.500.840.770.85NA0.794.17
sucroseME10708113.062.200.110.180.860.540.290.75
bilirubin (Z,Z)ME10708283.430.570.401.701.290.590.840.83
6-beta-hydroxylithocholateME10711392.620.450.610.841.141.240.550.45
cysteine s-sulfateME10709533.430.610.260.660.630.900.341.17
1,5-anhydroglucitol (1,5-AG)ME10709301.902.420.941.780.380.480.060.04
adenosine 5^-monophosphate (AMP)ME10706901.992.850.741.940.100.140.140.09
glycolate (hydroxyacetate)ME10706891.262.380.711.230.580.480.830.53
glycylvalineME10709270.992.200.590.560.841.510.320.99
1-stearoyl-GPG (18:0)ME10710850.822.890.310.660.750.850.291.44
1-(1-enyl-palmitoyl)-GPE (P-16:0)*ME10712380.892.630.740.680.830.660.780.78
1-(1-enyl-stearoyl)-GPE (P-18:0)*ME10712390.932.700.500.650.910.810.491.00
glycylleucineME10710260.752.040.64NA0.29NANA0.41
1-palmitoyl-GPS (16:0)*ME10713081.001.60NA0.410.710.820.670.66
3beta-hydroxy-5-cholestenoateME10713491.151.50NA0.710.490.71NANA
cholateME10706771.090.121.020.230.812.072.170.48
tricarballylateME10708880.240.551.320.480.252.132.540.51
maltoseME10708030.550.290.200.361.180.843.021.44
4-vinylphenol sulfateME10711530.390.250.490.530.590.691.983.09
4-hydroxyphenylpyruvateME10708450.460.581.010.740.960.511.791.93
3-methyl-2-oxovalerateME10708970.350.291.000.341.050.372.042.65
4-methyl-2-oxopentanoateME10709290.410.561.200.480.960.301.922.35
4-vinylcatechol sulfateME10716030.240.290.640.310.24NA2.031.78
4-vinylguaiacol glucuronideME10716040.450.330.740.470.640.372.711.99
4-vinylguaiacol sulfateME10713290.490.390.600.780.750.502.462.04
tartarateME10709160.641.260.031.250.500.800.033.29
1-oleoyl-GPG (18:1)*ME10713060.691.000.341.070.681.090.381.98
nonadecanedioate (C19-DC)ME10715440.971.220.251.300.581.050.272.07
1-linoleoyl-GPG (18:2)*ME10714290.780.860.261.200.671.350.372.51
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]*ME10714880.840.880.631.030.641.120.402.46
1-palmitoyl-GPG (16:0)*ME10713070.771.920.390.960.650.950.461.91
2-hydroxyadipateME10709980.501.700.490.570.541.500.721.99
isovalerylcarnitine (C5)ME10710610.460.490.690.560.773.011.150.89
2-methylbutyrylcarnitine (C5)ME10710980.460.550.670.450.682.521.680.99
glu-gly-asn-val**ME10715970.540.740.450.520.612.141.160.86
3-hydroxyisobutyrateME10706740.260.430.460.350.703.190.802.54
glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)*ME10714960.520.650.660.491.042.540.701.58
isovalerylglycineME10710810.350.450.580.430.902.850.671.76
isobutyrylcarnitine (C4)ME10709800.400.490.350.460.753.410.581.56
3-hydroxysebacateME10709930.260.360.160.470.843.070.731.85
N-acetylglutamateME10709140.340.560.380.450.573.160.571.97
glutarate (C5-DC)ME10707250.511.420.470.600.492.410.551.56
isovalerate (i5:0)ME10709401.040.500.530.640.562.660.621.36
tetradecanedioate (C14-DC)ME10711291.130.580.450.800.642.380.811.21
isocaproylcarnitineME10715290.600.750.770.730.882.420.661.10
docosatrienoate (22:3n6)*ME10715000.750.700.530.901.032.410.301.37
1-arachidonylglycerol (20:4)ME10710750.750.660.630.700.882.330.481.58
2-arachidonoylglycerol (20:4)ME10709310.780.610.640.740.872.280.571.50
sphingomyelin (d18:0/18:0, d19:0/17:0)*ME10714050.460.480.150.421.472.580.222.21
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)ME10711740.300.250.230.291.442.470.192.82
N-stearoyl-sphinganine (d18:0/18:0)*ME10708060.220.500.140.331.412.200.162.52
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*ME10714540.430.700.400.560.882.060.242.73
N-palmitoyl-phytosphingosine (t18:0/16:0)ME10715320.510.820.110.650.902.130.282.61
N-palmitoyl-sphinganine (d18:0/16:0)ME10714060.340.940.120.590.942.120.412.54
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]*ME10714830.330.320.560.380.931.920.592.97
1-myristoylglycerol (14:0)ME10711330.350.440.420.460.612.230.463.03
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*ME10714590.310.430.280.430.852.230.532.95
N-stearoyl-sphingosine (d18:1/18:0)*ME10708790.380.470.260.361.022.450.372.69
diacylglycerol (14:0/18:1, 16:0/16:1) [2]*ME10714700.310.430.290.410.782.640.222.75
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*ME10714550.350.560.260.520.872.470.182.80
2-oleoylglycerol (18:1)ME10709640.430.500.560.600.632.400.342.54
1-palmitoylglycerol (16:0)ME10709540.440.510.480.560.692.510.382.44
2-palmitoylglycerol (16:0)ME10709770.400.590.430.590.652.540.402.39
1-docosahexaenoylglycerol (22:6)ME10710900.370.320.620.390.712.470.472.65
2-docosahexaenoylglycerol (22:6)*ME10713450.380.390.680.400.672.250.622.60
ceramide (d18:1/14:0, d16:1/16:0)*ME10714920.430.670.220.360.532.630.261.71
(R)-3-hydroxybutyrylcarnitineME10712630.610.730.560.440.532.660.472.01
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*ME10714630.390.460.120.580.753.020.192.49
2-methylbutyrylglycineME10709990.460.600.310.340.922.830.472.08
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*ME10714620.520.670.210.630.972.650.232.12
2-hydroxybutyrate/2-hydroxyisobutyrateME10713720.480.680.240.460.882.480.372.41
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*ME10714570.420.700.310.530.962.580.202.32
8-hydroxyoctanoylglycineME10715360.100.090.890.050.152.860.302.45
3-hydroxybutyroylglycine**ME10715580.630.510.300.110.242.490.702.90
acetoacetateME10708540.130.140.180.070.282.700.462.87
2-hydroxy-3-methylvalerateME10711050.470.340.520.481.341.570.962.32
phenyllactate (PLA)ME10709470.330.340.440.451.161.840.892.55
oleoylcarnitine (C18:1)ME10710950.630.610.350.441.431.630.452.47
palmitoleoylcarnitine (C16:1)*ME10714450.540.540.510.351.311.620.522.60
myristoylcarnitine (C14)ME10710320.560.520.620.421.501.420.722.25
palmitoylcarnitine (C16)ME10709480.620.540.530.461.651.380.512.31
dihomo-linoleoylcarnitine (C20:2)*ME10715170.680.590.380.501.591.230.722.31
margaroylcarnitine (C17)*ME10712660.540.500.390.381.641.270.712.57
stearoylcarnitine (C18)ME10710590.420.380.160.332.111.550.202.84
arachidoylcarnitine (C20)*ME10715130.680.730.220.642.191.040.262.24
eicosenoylcarnitine (C20:1)*ME10715160.650.630.250.531.831.340.302.47
N-acetyl-isoputreanineME10715760.39NA0.250.361.870.380.772.00
(N(1) + N(8))-acetylspermidineME10715280.700.480.850.591.780.930.911.75
phenylacetylglutamateME10714090.380.380.940.471.440.900.622.02
ascorbate (Vitamin C)ME10706990.510.451.090.911.471.620.491.35
orotateME10707490.620.580.570.741.421.720.911.46
S-methylcysteineME10712190.790.550.780.581.231.670.931.48
gamma-glutamylcitrulline*ME10715630.490.351.130.551.431.541.311.20
gamma-glutamylmethionineME10710490.450.350.940.821.481.810.971.18
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*ME10714690.540.510.660.410.621.570.392.05
palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]*ME10714770.220.280.660.320.601.740.131.98
1-palmitoleoylglycerol (16:1)*ME10713790.480.751.140.550.611.800.522.16
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*ME10714680.350.651.210.390.661.760.652.26
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*ME10714730.180.190.480.270.661.900.882.58
heptenedioate (C7:1-DC)*ME10715480.310.400.550.520.842.060.972.27
N-acetylleucineME10708240.340.430.490.460.662.211.002.42
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]ME10712360.490.690.720.530.881.670.682.35
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*ME10714100.440.630.710.550.841.740.682.41
1-linoleoylglycerol (18:2)ME10709760.500.620.810.500.601.680.942.35
2-linoleoylglycerol (18:2)ME10709680.440.580.740.510.601.840.872.43
2-palmitoleoylglycerol (16:1)*ME10713800.440.620.870.380.642.060.342.33
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]ME10712370.390.590.520.500.811.990.602.59
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*ME10714110.350.540.520.520.782.080.602.60
1-oleoylglycerol (18:1)ME10709620.470.590.600.620.702.180.452.39
1-heptadecenoylglycerol (17:1)*ME10715840.420.670.710.600.641.990.562.41
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*ME10714740.340.610.780.440.702.090.672.37
1-dihomo-linolenylglycerol (20:3)ME10713250.510.561.080.630.952.020.831.41
pantoateME10712170.640.680.710.710.812.031.101.32
gamma-tocopherol/beta-tocopherolME10713960.300.690.420.340.932.221.082.02
N-acetyl-2-aminoadipateME10716260.530.910.470.710.712.200.691.77
dimethylglycineME10707810.490.420.760.480.981.901.091.88
N-acetylcitrullineME10711150.510.470.570.581.071.891.121.79
2-myristoylglycerol (14:0)ME10710630.610.620.510.610.811.990.711.92
laurylcarnitine (C12)ME10710600.750.650.640.531.011.770.801.86
1-dihomo-linoleoylglycerol (20:2)ME10710910.660.600.630.640.851.750.971.90
N-acetylvalineME10708260.580.670.620.630.891.870.991.75
gamma-glutamylisoleucine*ME10710920.450.580.800.650.892.000.831.80
gamma-glutamylvalineME10709910.480.640.820.670.912.060.751.68
gamma-glutamylleucineME10708660.390.530.680.630.842.060.901.97
N-acetylisoleucineME10710370.400.600.630.610.761.941.042.01
alpha-hydroxyisovalerateME10710460.720.720.360.701.341.660.482.02
beta-hydroxyisovalerateME10708700.770.650.360.671.231.600.452.28
3-(4-hydroxyphenyl)lactateME10707020.410.460.420.621.282.040.612.17
cholesterolME10707100.630.700.460.661.261.840.531.92
alpha-tocopherolME10708330.580.630.470.551.231.920.572.05
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME10714350.550.590.500.561.332.000.551.92
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*ME10714610.540.690.440.820.801.900.572.24
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*ME10714720.650.780.290.900.932.090.312.04
2-aminobutyrateME10708390.600.490.440.490.922.280.702.08
3-hydroxyoleoylcarnitineME10715340.610.580.380.380.962.250.472.38
N-palmitoyl-sphingosine (d18:1/16:0)ME10708730.470.620.350.470.942.170.622.37
3-hydroxypalmitoylcarnitineME10715330.640.600.510.441.071.920.572.25
alpha-hydroxyisocaproateME10709380.630.610.370.590.952.030.572.24
ceramide (d18:1/17:0, d17:1/18:0)*ME10714930.460.620.420.370.772.000.392.20
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*ME10714560.540.800.480.550.992.030.312.30
1-stearoyl-2-oleoyl-GPE (18:0/18:1)ME10711660.651.070.220.850.841.660.342.37
decadienedioic acid (C10:2-DC)**ME10716240.701.060.400.381.111.620.422.30
isobutyrylglycineME10711190.501.160.470.600.941.570.731.75
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)ME10713860.790.760.490.901.081.620.541.82
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*ME10714710.830.970.441.030.941.660.341.78
myristoleate (14:1n5)ME10710090.940.970.580.650.761.690.412.01
dihomo-linoleate (20:2n6)ME10708570.770.920.480.630.681.660.702.15
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*ME10713850.660.950.340.860.941.650.661.95
octadecanedioate (C18-DC)ME10711310.780.920.390.750.801.730.731.92
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*ME10714600.700.780.530.870.861.590.632.05
mevalonolactoneME10709450.670.760.610.720.881.760.641.97
1-linolenoylglycerol (18:3)ME10710760.400.550.880.490.451.301.152.77
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*ME10714760.300.480.710.390.621.721.242.53
stearoyl-linoleoyl-glycerol (18:0/18:2) [1]*ME10714580.350.480.480.400.861.581.022.83
3-hydroxyindolin-2-oneME10712580.520.620.690.611.081.250.802.36
linoleoylcarnitine (C18:2)*ME10712420.530.490.570.401.131.391.222.27
pentadecanoylcarnitine (C15)*ME10715200.530.480.690.381.291.281.172.17
indolelactateME10709250.450.480.560.500.971.621.192.23
3-hydroxy-2-ethylpropionateME10710020.440.670.630.431.041.561.042.07
N-acetylhomocitrullineME10715770.330.620.700.511.011.611.251.97
myristoleoylcarnitine (C14:1)*ME10713160.800.660.580.501.141.460.822.04
dihomo-linolenoylcarnitine (C20:3n3 or 6)*ME10715180.750.560.600.551.211.391.211.73
dihydroorotateME10708070.610.680.690.731.151.290.971.89
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*ME10714650.420.641.150.560.461.241.542.00
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*ME10714750.410.541.070.430.661.251.512.14
linolenoylcarnitine (C18:3)*ME10715110.610.550.730.410.841.301.621.94
N-acetylphenylalanineME10710240.490.360.890.531.021.231.491.98
1-pentadecanoylglycerol (15:0)ME10710740.610.571.150.470.581.561.391.66
ceramide (d18:2/24:1, d18:1/24:2)*ME10714940.550.641.090.500.871.501.241.61
N-acetylhistidineME10710420.400.551.030.620.961.411.291.74
mevalonateME10706640.600.620.780.650.891.481.131.85
3-hydroxy-3-methylglutarateME10706750.610.770.790.610.741.361.411.71
3-methylglutaconateME10712100.610.700.680.740.931.351.241.76
sphinganineME10707200.540.700.740.651.001.351.381.63
octadecadienedioate (C18:2-DC)*ME10715490.810.720.370.820.841.391.351.70
sebacate (C10-DC)ME10710130.680.720.520.690.721.701.351.63
adrenoylcarnitine (C22:4)*ME10715231.000.480.410.861.311.250.712.01
N-acetyltyrosineME10709880.640.240.630.931.071.041.192.27
N-formylphenylalanineME10713171.450.93NA0.880.500.782.000.59
p-hydroxybenzaldehydeME10708672.310.550.550.780.230.282.030.91
4-methylbenzenesulfonateME10712070.680.660.820.742.450.841.100.60
adenosineME10707772.001.131.431.630.780.460.140.43
arachidonoylcholineME10714391.440.690.951.670.300.330.42NA
linoleoylcholine*ME10714991.521.241.571.480.320.310.490.36
palmitoylcholineME10714321.360.891.671.530.360.360.35NA
bilirubin degradation product, C16H18N2O5 (2)**ME10716330.870.890.931.401.090.890.96NA
bilirubin degradation product, C17H20N2O5 (1)**ME10716371.600.951.271.680.490.321.440.26
bilirubin degradation product, C17H20N2O5 (2)**ME10716381.690.961.271.670.510.311.390.21
biliverdinME10707061.431.091.381.500.670.441.110.38
bilirubin degradation product, C17H18N2O4 (1)**ME10716341.830.960.951.510.620.600.900.40
bilirubin degradation product, C17H18N2O4 (2)**ME10716351.680.981.161.690.550.461.010.47
bilirubin degradation product, C17H18N2O4 (3)**ME10716361.700.961.071.490.610.501.200.45
guanidinoacetateME10707281.180.891.111.690.760.591.120.67
hypotaurineME10707321.440.641.191.280.790.531.300.84
guanosine 5^-monophosphate (5^-GMP)ME10707291.301.780.941.470.300.480.600.32
uridine 5^-monophosphate (UMP)ME10707911.401.571.111.430.230.390.740.34
adenosine 5^-diphosphoribose (ADP-ribose)ME10706930.891.521.031.030.220.481.410.32
hemeME10710581.241.410.981.550.530.531.340.42
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*ME10714011.361.590.791.130.880.471.220.57
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*ME10713991.201.461.061.200.790.501.160.64
cysteine sulfinic acidME10711851.111.071.001.051.130.600.661.23
xanthosineME10709171.131.540.811.590.680.880.670.71
2-aminooctanoateME10712741.331.470.841.340.860.720.990.45
urateME10708401.141.530.781.200.840.870.910.73
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*ME10714211.221.450.941.230.980.650.860.67
1-methylhistamineME10710101.181.560.711.370.970.680.900.62
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*ME10713421.421.340.991.350.920.760.690.54
succinylcarnitine (C4-DC)ME10711761.451.430.731.460.750.850.710.62
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*ME10714001.491.570.711.371.110.540.620.49
sphingomyelin (d18:1/20:1, d18:2/20:0)*ME10713381.541.380.681.371.050.850.430.70
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*ME10713411.501.610.651.531.030.800.380.50
2-hydroxyarachidate*ME10715381.471.400.691.020.900.780.820.93
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*ME10714021.451.330.601.181.190.790.670.80
S-(3-hydroxypropyl)mercapturic acid (HPMA)ME10712921.351.460.421.261.140.830.680.87
citronellic acidME10716191.232.020.402.610.610.390.270.46
2-hydroxysebacateME10715711.161.120.742.130.690.341.430.26
branched chain 14:0 dicarboxylic acid**ME10716131.161.670.772.300.260.251.000.13
3-dehydrocholateME10709811.730.200.180.990.482.090.850.51
3-hydroxydodecanedioate*ME10710821.450.340.510.860.841.511.141.17
butyrate/isobutyrate (4:0)ME10708461.500.760.571.180.441.800.651.09
chenodeoxycholateME10708371.630.600.410.950.791.920.650.90
guanosineME10708300.600.341.830.781.680.930.741.10
2-amino-p-cresol sulfateME10711600.940.931.941.141.380.520.161.00
phenylacetyltaurineME10713760.531.131.530.941.151.110.391.24
4-ethylcatechol sulfateME10715790.670.950.351.620.701.930.780.99
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)ME10714461.211.050.322.070.811.240.201.10
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*ME10714031.851.970.241.440.950.820.170.56
sphingomyelin (d18:2/21:0, d16:2/23:0)*ME10715061.991.740.311.480.750.860.240.63
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)*ME10716181.240.77NA1.740.950.210.210.59
glycine conjugate of C10H14O2 (1)*ME10715641.641.250.031.491.130.610.060.65
3-hydroxyoctanoylglycineME10715831.841.650.690.570.660.930.311.34
adenineME10707950.921.850.521.350.631.430.470.83
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*ME10716171.091.710.611.190.731.070.361.16
N-behenoyl-sphingadienine (d18:2/22:0)*ME10714841.171.770.401.121.051.180.261.06
behenoyl sphingomyelin (d18:1/22:0)*ME10713401.321.640.411.491.300.990.250.61
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*ME10714851.151.320.471.421.231.110.340.95
sphingomyelin (d18:1/20:0, d16:1/22:0)*ME10713371.371.390.441.281.241.150.260.87
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*ME10714221.311.35NA0.970.781.140.150.95
branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*ME10716231.581.280.451.020.861.190.451.16
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*ME10714121.401.420.181.120.981.200.211.16
sphingomyelin (d18:1/19:0, d19:1/18:0)*ME10715031.551.310.301.160.991.190.321.19
trans-3,4-methyleneheptanoylglycineME10714471.061.200.651.031.100.76NA0.92
1H-indole-7-acetic acidME10712940.941.06NA0.971.350.93NA0.65
cis-3,4-methyleneheptanoylglycineME10716320.921.180.031.031.180.84NA1.06
behenoylcarnitine (C22)*ME10715121.141.490.291.121.381.030.311.25
hexanoyltaurineME10716061.211.250.540.801.241.070.381.39
lignoceroylcarnitine (C24)*ME10715141.181.180.471.131.311.010.481.25
nervonoylcarnitine (C24:1)*ME10715221.171.220.531.131.290.910.481.27
erucoylcarnitine (C22:1)*ME10715190.971.060.390.811.570.960.311.55
p-cresol glucuronide*ME10713321.231.080.311.151.461.190.031.54
p-cresol sulfateME10710511.130.990.341.221.371.220.061.66
N-acetylcarnosineME10712651.161.220.461.021.730.760.650.75
heptanoate (7:0)ME10708081.170.970.661.191.371.120.740.78
imidazole lactateME10709100.880.990.591.291.491.220.521.01
ophthalmateME10710480.700.701.760.930.501.610.701.11
biotinME10707070.520.411.680.550.790.701.241.17
4-hydroxyphenylacetateME10706780.510.431.930.500.911.071.031.22
nisinate (24:6n3)ME10715010.550.571.820.650.661.271.241.23
docosapentaenoate (n3 DPA; 22:5n3)ME10710040.500.661.550.480.521.101.681.50
hexadecadienoate (16:2n6)ME10714440.620.781.310.410.321.071.681.81
linoleate (18:2n6)ME10706820.571.031.200.480.381.021.601.73
palmitoleate (16:1n7)ME10707510.751.301.980.460.340.930.941.30
5-aminovalerateME10709220.710.991.630.340.350.541.461.03
10-heptadecenoate (17:1n7)ME10710390.741.191.320.520.421.051.091.67
myristate (14:0)ME10707650.821.131.520.560.351.031.211.39
butyrylcarnitine (C4)ME10709790.691.011.490.700.691.251.420.75
2-palmitoleoyl-GPC (16:1)*ME10711090.761.121.560.830.691.060.991.00
histamineME10707300.831.141.370.690.660.981.191.12
docosahexaenoate (DHA; 22:6n3)ME10709360.551.151.460.570.631.081.301.26
pentadecanoate (15:0)ME10708120.710.901.480.600.550.961.571.25
1-palmitoyl-GPA (16:0)ME10710780.551.041.301.260.760.751.730.57
4-hydroxyglutamateME10712160.651.011.611.240.760.451.710.46
18-methylnonadecanoate (i20:0)ME10715401.171.011.320.640.760.371.740.69
10-undecenoate (11:1n1)ME10710081.131.001.071.020.870.441.650.82
5-methyluridine (ribothymidine)ME10710791.340.891.081.040.850.571.510.74
thymidineME10707920.990.771.340.941.040.351.800.60
deoxycarnitineME10711441.040.851.160.950.840.631.870.67
2-hydroxyoctanoateME10709430.931.021.201.090.750.531.900.58
uridineME10707680.801.011.241.000.850.501.860.75
methyl indole-3-acetateME10708321.001.070.871.480.460.601.920.57
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)ME10711271.190.920.871.150.780.911.640.54
acetylphosphateME10708501.281.191.051.110.530.651.570.57
corticosteroneME10707120.800.811.461.000.960.431.291.26
1-ribosyl-imidazoleacetate*ME10711460.480.801.400.831.360.541.541.04
5-methyl-2^-deoxycytidineME10712021.070.521.280.901.400.631.320.83
3-(3-amino-3-carboxypropyl)uridine*ME10710730.930.671.340.811.280.581.430.72
N1-methyladenosineME10708600.880.791.370.801.200.621.540.80
3-methylcytidineME10710860.980.841.270.901.240.661.310.81
N1-methylinosineME10710640.940.731.210.821.410.591.380.93
indoxyl glucuronideME10713750.800.531.510.971.240.611.510.83
N6-acetyllysineME10711500.730.611.340.801.060.841.700.91
7-methylguanineME10710830.800.631.220.701.140.781.731.01
hydroxy-N6,N6,N6-trimethyllysine*ME10715980.810.711.300.811.070.661.690.95
N6-carbamoylthreonyladenosineME10710670.920.761.220.741.140.751.520.97
dimethylarginine (SDMA + ADMA)ME10711630.900.641.360.841.150.711.470.94
N6,N6-dimethyllysineME10715740.860.651.410.771.140.691.580.90
5,6-dihydrouridineME10710720.820.641.380.761.300.731.490.89
allantoinME10708140.790.691.340.761.180.831.440.97
gamma-glutamylglycineME10710430.810.621.340.821.220.871.410.91
ribulose/xyluloseME10713260.730.721.270.600.831.031.670.83
glutathione, oxidized (GSSG)ME10707500.640.991.540.960.710.791.530.84
kynurenineME10709110.750.891.330.800.880.791.630.92
sphingomyelin (d18:2/24:1, d18:1/24:2)*ME10713840.860.821.390.880.840.891.470.86
2-hydroxypalmitateME10711161.030.941.260.800.800.711.640.83
3-decenoylcarnitineME10716001.100.791.390.690.850.601.720.86
(16 or 17)-methylstearate (a19:0 or i19:0)ME10712051.000.901.150.680.770.811.601.09
docosadioate (C22-DC)ME10712330.931.151.090.750.770.711.570.97
argininosuccinateME10706980.810.951.080.970.850.831.680.85
methionineME10707420.780.651.091.120.900.841.730.88
xyloseME10707880.800.811.140.941.020.881.430.74
N,N-dimethyl-pro-proME10716391.000.861.130.870.910.641.581.01
glycineME10707261.050.811.171.040.890.771.420.84
N6,N6,N6-trimethyllysineME10706850.990.861.110.941.070.701.470.86
5-hydroxyindoleacetateME10706700.800.830.970.811.110.691.850.94
pyridoxateME10709900.860.841.100.791.000.751.780.88
2^-O-methylcytidineME10714510.870.620.980.651.220.821.841.00
cystathionineME10707190.880.641.110.631.200.601.960.96
arabonate/xylonateME10713220.640.770.990.721.010.841.771.26
N-acetyl-glucosamine 1-phosphateME10708510.740.761.090.810.790.721.751.29
gamma-glutamyltryptophanME10710440.640.911.010.841.060.941.391.22
N-acetyl-beta-alanineME10711810.750.750.890.721.180.901.671.15
aconitate [cis or trans]ME10710570.750.731.060.761.110.911.531.14
N-acetylalanineME10708340.760.700.970.751.140.981.491.21
methylmalonate (MMA)ME10707430.810.771.161.001.030.801.440.98
N-acetylneuraminateME10708480.830.781.010.930.940.891.481.13
spermidineME10706670.840.741.160.821.000.801.531.12
ethylmalonateME10708890.930.930.970.831.090.761.500.99
N-acetylthreonineME10710350.760.930.900.921.150.961.410.97
2-hydroxyoleateME10714491.091.330.780.740.730.821.511.00
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)ME10711711.101.100.800.950.860.761.660.99
octadecanedioylcarnitine (C18-DC)*ME10713151.090.810.810.870.810.911.690.99
oxindolylalanineME10716400.901.130.971.280.710.691.560.76
sphingadienineME10714860.870.980.981.210.740.711.501.02
2-hydroxydecanoateME10712690.941.310.801.370.820.681.380.70
kynurenateME10706730.891.570.711.350.880.601.190.81
xanthurenateME10708950.761.450.811.220.750.781.310.91
aspartateME10707001.061.201.211.400.790.641.070.64
cys-gly, oxidizedME10708560.831.200.971.380.780.871.130.86
tartronate (hydroxymalonate)ME10709550.981.191.121.370.720.891.050.70
cis-3,4-methyleneheptanoylcarnitineME10716251.321.150.771.120.910.731.260.72
cytidineME10707891.291.140.881.110.840.811.120.80
linoleoyl ethanolamideME10713621.161.181.040.990.740.811.270.80
glutamateME10707711.101.241.061.190.700.721.100.89
N,N,N-trimethyl-alanylproline betaine (TMAP)ME10715611.111.150.891.200.770.751.190.94
glycerateME10708220.911.151.131.050.840.971.070.88
fumarateME10707221.031.061.091.110.810.931.020.95
threonateME10709720.991.101.161.140.850.990.920.85
malonylcarnitineME10711011.151.011.201.100.790.861.030.86
nicotinamideME10707451.170.991.191.000.740.821.110.98
glutamineME10707721.100.991.111.080.920.881.100.81
taurineME10707641.041.021.021.120.870.821.170.94
tryptophanME10707741.001.051.071.150.890.801.210.84
beta-alanineME10707041.091.150.941.250.960.830.940.83
N-formylmethionineME10706871.031.120.901.150.990.901.000.91
1-methylhistidineME10709780.901.201.110.991.100.910.900.91
glycerophosphoserine*ME10714870.981.191.061.060.990.790.891.03
glycerol 3-phosphateME10709091.081.201.101.050.840.721.030.98
1-(1-enyl-palmitoyl)-GPC (P-16:0)*ME10712250.981.251.030.990.950.831.080.90
anthranilateME10708630.961.250.971.101.040.701.120.87
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*ME10713900.930.891.021.001.141.200.950.86
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*ME10714170.940.921.051.081.061.060.950.94
lignoceroyl sphingomyelin (d18:1/24:0)ME10713430.891.040.981.001.121.090.930.95
cysteineME10707791.080.900.901.081.150.970.811.12
sphingosine 1-phosphateME10709331.000.920.841.141.140.990.941.04
asparagineME10708050.990.780.881.161.001.031.141.01
serineME10707611.060.820.831.221.001.021.061.00
lysineME10707400.970.921.061.241.140.890.930.85
alanineME10707820.930.890.971.181.090.941.090.90
histidineME10707310.900.900.951.161.120.901.090.98
dihydroxyacetone phosphate (DHAP)ME10707181.090.990.831.350.851.020.801.07
pelargonate (9:0)ME10707461.240.890.871.181.001.080.910.82
glycerophosphoethanolamineME10711350.970.981.171.130.740.721.191.09
glycerophosphoglycerolME10711341.040.911.071.280.750.681.290.98
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*ME10714270.860.891.041.050.820.991.331.02
creatineME10708550.950.971.091.030.850.831.221.07
creatinineME10707130.960.941.031.010.950.761.331.02
gamma-glutamylglutamineME10708440.750.771.320.841.181.041.210.89
sphingomyelin (d18:1/24:1, d18:2/24:0)*ME10713130.870.881.280.870.971.081.150.90
alpha-ketoglutarateME10706721.030.901.071.001.070.900.941.10
1-lignoceroyl-GPC (24:0)ME10712240.970.881.151.031.040.831.051.06
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*ME10714260.900.871.201.011.000.871.081.06
2^-deoxyuridineME10707690.941.041.180.981.200.761.100.79
N-acetylglucosamine/N-acetylgalactosamineME10713560.950.911.230.970.970.791.280.92
arginineME10706970.930.951.080.911.120.961.140.89
glycerophosphoinositol*ME10711360.960.851.120.921.060.921.290.88
orotidineME10710680.930.941.110.941.080.871.250.87
2-hydroxystearateME10708591.201.020.910.920.890.881.260.93
3-hydroxyoctanoylcarnitine (2)ME10716311.031.070.910.820.950.881.221.11
N-palmitoylglycineME10712561.160.861.070.850.850.901.061.24
3-hydroxydecanoylcarnitineME10716011.090.890.990.680.880.971.211.28
3-hydroxyoctanoylcarnitine (1)ME10716301.000.871.020.720.920.881.321.27
3-hydroxyhexanoylcarnitine (1)ME10715860.990.930.930.820.811.011.331.18
nonadecanoate (19:0)ME10708010.950.880.920.760.731.011.371.38
betaineME10707780.970.711.040.940.881.231.340.89
ornithineME10707480.790.771.111.100.791.071.480.89
acetylcarnitine (C2)ME10709520.890.971.120.770.811.081.331.03
beta-hydroxyisovaleroylcarnitineME10711220.870.970.920.820.811.121.570.92
propionylglycineME10709960.731.040.930.780.940.981.531.08
3-aminoisobutyrateME10708360.691.020.840.880.901.241.291.14
N-acetylmethionine sulfoxideME10713040.720.820.901.040.711.191.461.15
1-linoleoyl-GPS (18:2)*ME10712950.911.070.971.070.510.991.241.12
propionylcarnitine (C3)ME10710000.771.151.020.930.821.211.360.76
2-hydroxyglutarateME10711800.861.191.040.990.771.011.121.01
2-oxoarginine*ME10712220.701.280.991.000.901.061.140.93
gamma-glutamylglutamateME10707230.721.231.060.940.900.921.161.08
thioprolineME10714310.991.241.411.140.660.651.150.76
choline phosphateME10707111.131.231.241.200.690.640.960.90
cytidine 5^-monophosphate (5^-CMP)ME10707151.211.201.401.310.720.440.930.79
phosphoethanolamineME10708211.131.051.441.260.690.521.080.82
oxalate (ethanedioate)ME10709561.011.231.261.210.810.980.760.75
1-palmitoleoyl-GPC (16:1)*ME10711000.971.091.500.940.810.901.010.77
ribose 1-phosphateME10706951.021.071.341.200.890.700.910.88
thyroxineME10708290.970.941.501.210.880.870.810.82
taurocyamineME10710700.681.011.501.060.500.701.300.54
5-methylthioadenosine (MTA)ME10706910.900.941.451.140.680.651.430.80
N-acetylglucosamine 6-phosphateME10708520.971.081.501.060.480.631.450.82
hydroxyasparagine**ME10715550.910.741.661.031.050.561.290.75
homoarginineME10709650.850.841.401.081.080.761.120.88
thiamin monophosphateME10707660.780.911.441.050.940.631.340.92
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*ME10714131.011.111.300.870.690.491.340.60
carnitineME10708901.081.001.541.080.870.681.230.51
serotoninME10707621.051.041.321.100.970.711.230.59
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**ME10715930.981.131.391.110.890.471.370.66
N6-succinyladenosineME10711450.861.001.391.270.870.531.350.73
5-oxoprolineME10708161.020.991.201.040.880.721.310.84
phosphateME10707530.921.061.251.120.770.721.330.84
C-glycosyltryptophanME10713541.050.931.311.120.950.591.220.84
N-acetylglucosaminylasparagineME10708531.000.981.301.000.950.561.420.79
5-methylthioribose**ME10711821.141.131.400.981.360.510.840.64
thymineME10707970.950.871.271.111.280.451.130.65
2^-deoxycytidineME10709061.340.981.001.101.310.591.000.68
N2,N2-dimethylguanosineME10710651.310.861.040.981.190.631.220.77
indole-3-carboxylateME10711911.180.970.991.250.940.601.260.82
N-acetyl-2-aminooctanoate*ME10715541.101.140.941.191.010.821.250.55
putrescineME10706661.120.911.041.260.970.781.290.62
5,6-dihydrothymineME10706791.461.051.001.090.950.751.140.54
5-methylcytidineME10709441.341.101.271.110.990.451.230.51
sarcosineME10708180.280.540.740.480.731.552.091.58
octadecenedioate (C18:1-DC)ME10715470.790.650.720.640.591.191.941.47
3-formylindoleME10715620.550.630.910.730.701.071.701.71
formiminoglutamateME10712130.450.660.780.780.771.171.831.56
o-cresol sulfateME10711620.580.900.861.050.830.741.411.34
tiglylcarnitine (C5:1-DC)ME10711230.860.770.760.720.870.661.521.47
cis-urocanateME10712520.691.080.990.650.760.941.711.18
trans-urocanateME10707700.801.130.890.720.610.771.831.25
1,2-dilinoleoyl-GPE (18:2/18:2)*ME10714240.461.230.580.920.710.991.771.35
lanthionineME10712600.621.010.660.640.931.042.001.36
4-cholesten-3-oneME10711960.660.630.840.641.071.601.491.07
S-methylcysteine sulfoxideME10712300.520.520.950.520.881.541.371.22
N-acetylarginineME10710300.580.770.900.731.031.381.441.18
pantothenateME10708190.610.670.990.790.981.231.411.33
gamma-glutamylphenylalanineME10709280.540.640.930.791.111.191.371.43
pyridoxalME10707570.560.560.940.741.101.261.461.38
ascorbic acid 2-sulfateME10714380.740.541.140.791.241.101.271.18
nicotinamide ribosideME10710470.800.721.110.821.041.061.271.18
ascorbic acid 3-sulfate*ME10715730.680.671.130.780.981.181.441.14
citrullineME10707380.720.611.090.851.051.101.391.20
hypoxanthineME10706800.630.641.081.000.871.331.141.24
phenylpyruvateME10707030.640.671.041.010.931.141.341.23
xanthineME10708150.790.661.051.090.931.121.281.08
2-hydroxy-4-(methylthio)butanoic acidME10716120.530.700.790.670.891.311.811.31
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*ME10715900.490.691.050.681.001.101.711.27
glucuronateME10709080.660.601.170.630.931.251.641.11
undecanedioate (C11-DC)ME10711320.980.880.730.750.741.221.631.06
N2-acetyl,N6,N6-dimethyllysineME10715800.800.760.680.661.211.041.651.17
N-acetyltryptophanME10710230.920.780.780.771.001.041.601.11
sphingosineME10707160.760.770.870.870.890.961.551.32
arabitol/xylitolME10713550.720.741.000.750.801.091.701.19
N-acetyltaurineME10713050.740.820.860.690.801.231.531.33
prolylglycineME10712550.770.680.850.780.891.231.551.25
gamma-glutamyltyrosineME10708310.560.450.821.091.201.340.931.62
threonineME10707730.720.870.741.110.981.311.021.26
prolineME10707550.760.650.721.011.141.271.021.44
tyrosineME10707830.790.630.801.231.081.150.981.33
fructoseME10707940.850.750.530.811.340.851.281.58
mannitol/sorbitolME10711520.830.780.580.851.060.961.151.80
1-methyl-4-imidazoleacetateME10710120.590.630.760.601.340.921.451.70
mannonate*ME10712570.530.610.850.611.221.171.431.57
erythronate*ME10710530.660.710.830.681.511.001.121.50
ribonateME10709710.630.590.830.741.301.051.121.74
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*ME10711730.750.670.920.761.421.370.721.38
O-sulfo-L-tyrosineME10713010.670.650.880.831.191.151.071.57
dihydrobiopterinME10710960.670.720.850.721.301.221.021.50
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*ME10714950.590.620.910.701.321.350.981.55
biopterinME10708800.830.660.890.781.241.290.961.35
gamma-glutamylhistidineME10708580.660.670.970.861.221.221.101.30
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*ME10713930.720.730.970.840.981.041.051.67
ureaME10707670.710.830.940.831.060.941.221.49
erythritolME10709580.790.820.900.761.290.771.211.46
2,3-dihydroxyisovalerateME10712090.830.780.890.851.291.021.221.11
citrateME10708380.770.750.910.791.280.891.311.28
N-acetylmethionineME10708250.800.660.740.961.031.131.271.40
mannoseME10707800.860.720.650.761.351.231.101.31
glucoseME10707760.710.740.630.751.271.211.271.41
lyxonateME10715420.660.720.670.741.251.211.341.40
arachidonoylcarnitine (C20:4)ME10715150.860.550.760.641.161.231.411.39
arabinoseME10707900.730.650.870.701.081.181.311.34
isocitric lactoneME10714330.790.790.850.681.111.051.341.40
3,4-dihydroxybutyrateME10711490.780.710.840.681.221.191.181.40
N-acetylserineME10711650.760.800.910.761.231.101.181.26
1-arachidonoyl-GPA (20:4)ME10712850.560.821.261.160.890.840.881.64
N-acetyl-1-methylhistidine*ME10712770.980.781.080.781.290.920.861.32
pyruvateME10707860.960.791.110.951.290.830.951.12
gamma-glutamyl-alpha-lysineME10714530.630.711.161.041.451.100.861.06
gamma-glutamylserineME10714300.730.661.061.001.261.051.121.12
1-arachidonoyl-GPI (20:4)*ME10711420.800.731.140.820.841.231.001.43
3-hydroxystearateME10713770.970.901.300.870.771.160.861.17
inosineME10707330.770.611.420.981.051.031.001.15
phenylacetateME10708930.780.581.280.771.081.010.851.57
N4-acetylcytidineME10710660.520.391.110.491.291.041.691.46
gamma-glutamylalanineME10711640.470.581.180.841.531.111.360.93
1-methylnicotinamideME10706680.910.251.400.760.931.031.531.19
N1-Methyl-2-pyridone-5-carboxamideME10710870.780.201.470.891.340.841.550.94
N1-Methyl-4-pyridone-3-carboxamideME10710880.820.171.241.001.440.951.291.11
butyrylglycineME10709971.051.500.650.540.631.151.291.18
valerylglycineME10710800.771.580.940.610.580.981.541.01
argininate*ME10712210.601.590.580.760.961.600.861.06
3-ureidopropionateME10708230.651.330.650.731.131.181.291.03
suberate (C8-DC)ME10708960.731.400.470.880.711.261.231.32
2-oxoadipateME10706710.832.050.651.020.890.670.811.10
1-(1-enyl-oleoyl)-GPE (P-18:1)*ME10712980.821.900.660.731.180.950.751.00
3-ureidoisobutyrateME10711030.731.790.490.771.290.851.160.92
1-palmitoyl-GPI (16:0)ME10711430.921.731.170.760.890.860.920.75
2-aminoadipateME10707370.931.680.681.200.790.930.741.06
S-adenosylhomocysteine (SAH)ME10706880.861.421.001.320.670.830.881.03
valylleucineME10712440.590.630.130.811.151.290.871.43
myristoyl dihydrosphingomyelin (d18:0/14:0)*ME10714080.700.73NA0.731.111.510.451.32
sphingomyelin (d18:0/20:0, d16:0/22:0)*ME10715020.700.790.210.481.211.760.221.26
sphingomyelin (d17:2/16:0, d18:2/15:0)*ME10715091.290.97NA0.910.701.170.961.05
2-ketogulonateME10709020.801.251.000.870.841.640.820.77
4-hydroxybutyrate (GHB)ME10710971.061.440.871.110.611.600.420.74
trans-2-hexenoylglycineME10715371.251.210.780.440.801.160.591.73
N-acetylglycineME10709701.240.940.600.490.781.390.771.78
N-octanoylglycineME10712641.090.990.790.490.661.260.721.98
hexanoylglycineME10711021.331.440.910.530.950.880.631.33
16-hydroxypalmitateME10712340.991.580.610.820.571.430.631.37
5-dodecenoate (12:1n7)ME10710181.051.390.890.930.631.300.621.20
1-oleoyl-GPI (18:1)ME10711581.221.550.640.920.771.060.671.17
heptanoyl glycineME10712721.091.550.720.700.661.030.781.50
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*ME10713880.951.010.681.060.871.201.181.04
uracilME10707871.051.220.671.070.741.231.021.01
2-methylcitrate/homocitrateME10713730.831.030.820.930.781.521.110.99
4-hydroxybenzoateME10709590.900.930.590.840.961.541.051.18
1-methyl-5-imidazoleacetateME10712260.781.250.880.560.741.311.201.28
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)ME10711700.620.970.810.710.901.241.281.46
hexadecenedioate (C16:1-DC)*ME10715461.090.840.540.840.681.481.101.44
(S)-3-hydroxybutyrylcarnitineME10714340.960.870.790.730.681.311.101.55
5-dodecenoylcarnitine (C12:1)ME10715301.060.930.850.730.911.340.801.39
tetradecadienoate (14:2)*ME10715660.980.910.770.800.801.360.951.44
1,2-dilinoleoyl-GPC (18:2/18:2)ME10713640.841.000.590.930.881.261.141.36
1-linoleoyl-GPI (18:2)*ME10711590.860.970.790.850.771.151.241.37
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*ME10714420.800.890.720.850.771.321.291.36
eicosanedioate (C20-DC)ME10712320.981.150.630.930.751.041.201.31
N-linoleoyltaurine*ME10713090.980.950.770.870.921.071.211.22
hexanoylcarnitine (C6)ME10709490.950.901.050.680.781.381.161.10
dodecadienoate (12:2)*ME10715750.970.930.870.770.781.271.281.14
cis-4-decenoate (10:1n6)*ME10712230.940.950.840.840.831.351.091.17
malonateME10707840.940.870.870.810.791.321.131.28
itaconateME10709230.861.070.770.720.631.471.151.33
laurate (12:0)ME10706830.921.040.970.800.581.251.111.34
1-arachidonoyl-GPC (20:4n6)*ME10711081.080.860.791.141.011.310.591.22
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*ME10713390.990.780.801.120.801.280.761.27
3-hydroxypalmitateME10709671.031.080.891.000.791.380.601.24
3-hydroxylaurateME10709891.111.050.630.860.871.430.611.43
3-hydroxymyristateME10709611.121.050.730.930.911.320.571.36
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*ME10714971.161.020.650.981.211.280.551.14
1-stearoyl-2-oleoyl-GPC (18:0/18:1)ME10713650.951.010.481.071.121.460.531.38
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)ME10709320.930.860.691.001.131.470.611.31
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)ME10713660.990.940.681.051.071.380.591.30
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)ME10711691.000.920.611.071.121.380.591.30
sphingomyelin (d18:1/18:1, d18:2/18:0)ME10711831.061.050.641.041.031.160.631.39
N-oleoyltaurineME10712411.171.010.490.871.141.310.661.35
stearoyl ethanolamideME10711991.041.020.570.881.101.260.721.40
pantetheineME10710941.321.190.581.060.851.330.581.09
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*ME10713441.291.380.530.950.931.250.601.07
sphingomyelin (d18:2/14:0, d18:1/14:1)*ME10713121.071.120.711.180.831.260.671.10
succinateME10707081.101.280.751.230.781.330.610.92
3-hydroxysuberateME10709920.931.450.461.160.781.340.481.41
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)ME10713691.061.260.431.111.081.110.511.43
sphingomyelin (d18:2/16:0, d18:1/16:1)*ME10712831.081.200.691.140.991.150.581.17
sphingomyelin (d18:2/18:1)*ME10715041.041.340.581.140.941.140.571.25
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*ME10714181.131.070.481.150.991.330.631.22
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)ME10713951.161.190.431.020.971.270.671.28
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*ME10714201.011.140.571.180.861.290.571.39
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)ME10713711.001.260.501.091.011.350.451.35
2R,3R-dihydroxybutyrateME10712060.961.040.751.001.490.920.571.27
cystineME10707140.881.020.770.881.381.110.731.23
1-stearoyl-GPI (18:0)ME10709340.931.370.900.811.101.180.730.98
12-HETEME10711890.921.200.630.771.191.190.881.22
thromboxane B2ME10708680.871.310.640.741.361.210.771.08
2-hydroxylaurateME10713781.330.980.631.050.820.961.031.22
arachidonoyl ethanolamideME10708710.911.310.811.130.800.830.730.90
retinalME10712680.971.290.861.051.020.900.850.91
heptadecasphingosine (d17:1)ME10714891.121.380.820.960.810.930.991.02
oleoyl ethanolamideME10708431.201.240.801.031.001.020.770.95
glycerolME10708611.271.150.921.050.830.960.821.00
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*ME10713831.321.250.841.020.871.010.820.87
octanoylcarnitine (C8)ME10710191.150.970.930.850.831.140.991.14
sphingomyelin (d18:2/23:1)*ME10715071.171.000.831.000.921.081.011.00
1,2-dipalmitoyl-GPC (16:0/16:0)ME10709350.931.040.971.020.951.031.001.04
cholineME10708620.981.190.850.961.010.901.051.07
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*ME10715081.121.220.810.910.950.850.901.22
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)ME10708751.141.100.731.030.991.020.891.10
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*ME10713981.051.210.761.071.041.010.811.05
erucate (22:1n9)ME10708271.041.170.811.051.020.920.851.15
1-linolenoyl-GPC (18:3)*ME10712971.001.010.841.110.681.090.941.33
glycine conjugate of C6H10O2 (2)*ME10716201.171.161.030.930.740.990.721.26
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*ME10714801.110.850.741.091.091.420.770.92
riboflavin (Vitamin B2)ME10707590.920.820.881.050.941.540.821.02
hyocholateME10710401.130.810.840.711.091.110.891.34
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*ME10714140.810.961.060.790.931.231.121.12
1-palmitoyl-GPE (16:0)ME10711110.770.981.130.820.991.100.961.24
cysteine-glutathione disulfideME10710770.811.061.110.981.011.080.921.02
isocitrateME10708490.790.901.140.941.021.180.931.09
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*ME10713920.880.920.970.981.100.960.851.35
phenylalanineME10707520.870.900.890.971.041.091.091.14
ribitolME10709180.910.990.880.891.021.041.061.21
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)ME10709370.720.950.871.011.091.071.081.21
flavin mononucleotide (FMN)ME10709070.830.940.841.081.091.040.981.20
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*ME10714280.861.070.730.861.001.080.971.42
succinoyltaurineME10716050.901.110.700.831.051.190.921.30
(2 or 3)-decenoate (10:1n7 or n8)ME10716160.891.000.780.940.881.350.901.24
1-linoleoyl-GPC (18:2)ME10710620.920.970.780.940.921.210.941.32
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)ME10708760.901.000.810.931.021.190.861.28
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*ME10714780.960.990.731.040.921.400.741.23
3-hydroxydecanoateME10709691.031.000.680.970.941.380.861.15
caproate (6:0)ME10708091.061.070.800.970.841.330.841.09
caprylate (8:0)ME10708101.071.040.740.990.871.420.761.12
3-hydroxyhexanoateME10713481.070.960.680.811.041.360.881.19
3-hydroxyoctanoateME10709461.051.060.670.890.921.340.771.30
tricosanoyl sphingomyelin (d18:1/23:0)*ME10713820.931.000.670.800.931.460.811.41
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*ME10713890.821.101.100.970.941.190.771.11
2-palmitoyl-GPC (16:0)*ME10711100.841.060.980.931.031.250.731.18
sulfate*ME10712151.021.100.970.901.110.990.821.10
glycerophosphorylcholine (GPC)ME10709121.041.080.921.140.871.080.821.04
1-palmitoyl-GPC (16:0)ME10710290.951.020.991.011.001.130.801.09
lactateME10707560.961.110.931.080.991.140.771.01
12-HHTrEME10708650.971.190.730.891.141.190.930.96
palmitoyl ethanolamideME10708720.931.010.840.921.061.200.971.06
undecanoate (11:0)ME10707991.010.980.780.981.191.170.851.05
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)ME10713670.940.940.911.041.071.150.731.23
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)ME10713680.880.880.861.021.131.130.831.28
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*ME10713940.920.850.950.981.101.270.801.12
retinol (Vitamin A)ME10707580.910.920.910.971.261.190.721.12
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*ME10714251.060.940.771.101.091.230.671.15
1-stearoyl-GPC (18:0)ME10710330.981.010.741.041.131.260.691.15
1-oleoyl-GPC (18:1)ME10710340.991.060.801.031.011.230.751.12
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)ME10708780.921.020.830.981.091.240.741.17
N-palmitoyltaurineME10712450.980.940.680.911.201.170.771.36
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*ME10713870.921.010.661.001.051.250.831.28
palmitoyl sphingomyelin (d18:1/16:0)ME10711841.000.960.740.961.101.210.781.26
mead acid (20:3n9)ME10710890.870.881.010.800.791.830.621.25
nonanoylcarnitine (C9)ME10713581.000.790.830.750.691.730.851.27
arachidonate (20:4n6)ME10706960.791.151.250.840.641.460.631.24
gulonate*ME10711180.631.031.030.810.951.520.741.28
2-butenoylglycineME10715310.871.050.530.350.451.701.031.78
oleate/vaccenate (18:1)ME10713740.771.200.760.570.541.470.761.91
isocaproylglycineME10715350.811.130.720.520.661.830.581.75
tigloylglycineME10708470.731.070.670.650.661.740.891.58
(14 or 15)-methylpalmitate (a17:0 or i17:0)ME10712310.870.991.010.660.651.120.951.74
decanoylcarnitine (C10)ME10710210.751.131.010.610.701.530.831.44
4-methylhexanoylglycineME10715820.901.101.110.570.781.280.741.53
palmitate (16:0)ME10707440.811.041.020.690.711.290.901.54
13-HODE + 9-HODEME10711920.641.250.710.660.491.341.201.71
10-nonadecenoate (19:1n9)ME10710380.790.970.810.580.591.441.021.79
margarate (17:0)ME10708000.730.830.740.600.691.371.151.89
3-methylcrotonylglycineME10709950.600.860.830.590.761.651.101.62
dihomo-linolenate (20:3n3 or n6)ME10711510.610.981.100.560.631.451.021.64
dodecanedioate (C12-DC)ME10709870.920.630.470.900.851.701.011.53
eicosenoate (20:1)ME10710550.951.160.620.810.771.390.681.61
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)ME10713701.071.010.450.821.021.480.621.53
2,4-di-tert-butylphenolME10716290.801.040.460.921.081.440.661.59
3-hydroxyarachidate*ME10715390.841.000.580.811.021.380.731.60
arachidate (20:0)ME10708020.841.060.600.910.971.350.761.51
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*ME10714190.960.820.590.970.951.660.651.40
1-arachidonoyl-GPE (20:4n6)*ME10711140.820.620.750.970.941.470.781.65
adrenate (22:4n6)ME10710060.920.880.560.840.741.640.621.80
stearoyl sphingomyelin (d18:1/18:0)ME10708770.940.860.630.831.041.480.641.57
stearate (18:0)ME10707470.880.880.580.790.911.520.711.71
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*ME10714790.910.790.660.840.811.550.801.64
N-acetylasparagineME10710250.670.650.570.781.111.481.171.57
3-methyl-2-oxobutyrateME10709630.830.760.820.751.031.340.951.52
docosadienoate (22:2n6)ME10710050.770.800.610.771.041.411.031.57
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*ME10713910.880.780.760.881.101.440.751.41
1-stearoyl-GPE (18:0)ME10710840.760.970.790.801.081.370.791.45
gamma-glutamylthreonineME10710500.520.810.730.931.211.540.811.45
sphinganine-1-phosphateME10711720.690.770.670.811.261.410.911.48
N-palmitoyl-sphingadienine (d18:2/16:0)*ME10714820.791.040.590.810.891.640.811.42
valineME10707750.650.840.620.860.841.730.901.56
isoleucineME10707360.730.880.740.850.841.500.981.49
leucineME10707390.700.850.710.870.871.550.991.46
N-acetylglutamineME10710220.600.660.960.740.991.690.811.55
2-stearoyl-GPE (18:0)*ME10712620.660.820.720.671.051.680.721.68
docosatrienoate (22:3n3)ME10710070.700.840.600.700.981.620.841.73
allo-threonineME10709130.740.920.711.230.791.240.991.66
heptadecanedioate (C17-DC)ME10715430.940.980.690.920.661.071.051.69
1-linoleoyl-GPE (18:2)*ME10711130.690.850.600.940.801.331.071.73
tetradecadienedioate (C14:2-DC)*ME10715950.920.760.680.890.741.280.991.75
hydantoin-5-propionateME10712140.521.280.601.300.851.010.871.58
1,2-dipalmitoyl-GPE (16:0/16:0)*ME10714230.561.030.831.050.821.280.791.60
quinolinateME10706840.611.160.751.040.871.230.801.54
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)ME10708740.681.290.520.970.851.340.761.57
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*ME10714150.731.240.510.950.851.231.001.49
1-oleoyl-GPE (18:1)ME10711120.791.170.720.910.841.230.841.50
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*ME10714911.030.870.721.121.331.790.200.96
adipate (C6-DC)ME10709600.781.320.630.910.641.580.821.33
suberoylcarnitine (C8-DC)ME10713590.841.180.480.910.701.450.701.17
5-hydroxyhexanoateME10709940.841.100.501.080.611.700.641.43
caprate (10:0)ME10707981.021.090.570.910.791.650.551.41
hexadecanedioate (C16-DC)ME10711300.940.910.300.900.652.000.631.66
3-hydroxyoleate*ME10715411.221.060.470.810.691.830.461.47
adipoylcarnitine (C6-DC)ME10713571.011.020.380.820.931.840.481.51
sphingomyelin (d18:1/14:0, d16:1/16:0)*ME10712821.001.090.340.951.001.760.401.46
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*ME10714980.881.280.270.791.141.690.221.74
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*ME10715250.970.980.361.081.401.640.181.38
2S,3R-dihydroxybutyrateME10712011.011.090.390.761.341.430.351.64
N-stearoyltaurineME10712460.840.820.440.831.491.410.611.56
cholesterol sulfateME10711260.920.860.340.901.221.640.631.50
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*ME10713970.910.970.410.971.221.500.501.52
palmitoyl dihydrosphingomyelin (d18:0/16:0)*ME10713810.920.940.470.871.271.450.641.44
glutarylcarnitine (C5-DC)ME10711210.990.820.281.081.071.510.761.03
1-methyl-5-imidazolelactateME10716150.761.080.430.861.171.700.511.27
N-acetyl-3-methylhistidine*ME10711930.751.070.730.761.071.740.621.25
2-O-methylascorbic acidME10712470.721.060.820.951.211.350.671.22
3-methylhistidineME10708990.861.190.760.901.091.570.640.99
behenoyl dihydrosphingomyelin (d18:0/22:0)*ME10714040.931.440.420.991.401.460.370.99
docosapentaenoate (n6 DPA; 22:5n6)ME10711171.141.090.481.040.961.660.521.11
ceramide (d16:1/24:1, d18:1/22:1)*ME10714901.001.340.560.930.991.500.281.11
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME10714071.121.260.291.101.071.470.251.01
beta-muricholateME10709831.170.161.290.821.041.082.300.41
ursodeoxycholateME10708411.270.161.350.970.951.231.610.45
deoxycholateME10707172.060.391.080.470.650.931.410.90
bilirubin (E,E)*ME10711771.730.760.721.090.840.581.100.71
valerate (5:0)ME10708421.760.740.571.191.170.881.040.66
N-acetylaspartate (NAA)ME10709501.660.650.990.791.190.581.400.73
N-acetyl-aspartyl-glutamate (NAAG)ME10711281.490.621.180.611.030.421.720.94
3-methyladipateME10711550.550.910.611.450.950.331.840.53
2,3-dihydroxy-2-methylbutyrateME10714500.910.761.220.700.850.501.48NA
N-(2-furoyl)glycineME10709850.800.901.330.500.470.251.85NA
inosine 5^-monophosphate (IMP)ME10707341.221.381.081.100.280.312.270.29
sedoheptulose-7-phosphateME10711401.021.210.950.890.470.462.260.74
benzoateME10708910.790.621.241.170.340.502.810.34
benzyl alcohol glucuronideME10713330.980.451.361.310.450.701.950.20
S-1-pyrroline-5-carboxylateME10706651.060.611.540.870.530.542.240.61
campesterolME10710310.230.281.360.290.551.562.391.34
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*ME10714670.260.271.390.560.611.252.061.59
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*ME10714640.250.401.330.260.531.132.271.82
linolenate [alpha or gamma; (18:3n3 or 6)]ME10710560.510.741.580.410.230.702.151.68
stearidonate (18:4n3)ME10710170.510.542.140.410.170.462.111.64
3-phosphoglycerateME10706760.411.081.841.020.370.342.500.44
phosphoenolpyruvate (PEP)ME10707540.401.201.880.960.350.501.860.57
indolin-2-oneME10712780.680.292.070.550.590.692.200.92
N-methylpipecolateME10713000.570.342.190.570.560.592.340.55
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*ME10714660.330.252.180.430.610.832.211.17
3-indoxyl sulfateME10709260.340.342.210.500.730.642.410.84
N,N,N-trimethyl-5-aminovalerateME10715260.340.282.420.440.460.702.420.93
picolinoylglycineME1071602NA0.671.970.690.590.731.880.87
cytosineME10707960.330.391.740.370.900.792.201.28
perfluorooctanesulfonate (PFOS)ME10714810.600.331.700.630.610.552.251.32
homocitrullineME10709660.390.521.790.480.810.972.280.77
6-hydroxyindole sulfateME10713350.510.401.650.690.830.642.320.97
indoleacetylglycineME10713630.450.621.670.720.680.612.310.94
2^-O-methyluridineME10714520.800.561.590.680.760.482.230.76
N-monomethylarginineME10712860.710.461.740.720.900.512.360.62
N6-methyllysineME10712510.560.461.770.630.840.781.911.05
(12 or 13)-methylmyristate (a15:0 or i15:0)ME10712040.650.761.800.600.640.861.690.99
S-methylglutathioneME10710270.470.731.790.370.690.731.830.85
5-(galactosylhydroxy)-L-lysineME10712110.910.721.710.950.800.481.620.81
N-glycolylneuraminateME10710930.740.801.610.790.620.392.031.03
myo-inositolME10707350.740.681.750.740.790.631.880.79
sphingomyelin (d18:2/24:2)*ME10715050.690.681.620.800.720.642.070.78
4-hydroxyhippurateME10710710.670.832.250.930.590.401.790.53
5-hydroxylysineME10709010.630.592.001.050.750.441.980.55
malateME10707410.780.781.891.040.750.221.930.60
trans-4-hydroxyprolineME10708130.920.642.061.230.930.391.400.44
phenylalanylhydroxyproline*ME10716070.700.402.051.260.900.421.680.47
pro-hydroxy-proME10710010.840.492.281.010.940.271.670.51
isoleucylhydroxyproline*ME10716090.740.542.171.160.770.341.730.54
leucylhydroxyproline*ME10716080.720.492.351.110.750.271.870.44
gamma-glutamyl-epsilon-lysineME10710280.650.662.350.461.170.361.970.37
3-methoxytyrosineME10708690.720.532.100.561.100.362.310.32
pseudouridineME10707850.570.541.980.541.070.192.630.47
spermineME10707630.730.741.240.740.500.382.820.73
N6-carboxymethyllysineME10711570.540.591.340.620.550.603.010.76
undecenoylcarnitine (C11:1)ME10715990.610.701.240.530.700.552.840.73
N-acetylputrescineME10706860.700.551.140.601.000.692.620.70
sedoheptuloseME10712180.690.621.150.630.860.672.630.76
methionine sulfoxideME10708980.480.581.280.830.560.762.650.86
N2-acetyllysineME10711480.500.651.390.600.680.792.460.93
9,10-DiHOMEME10706810.670.981.250.420.400.882.560.85
octadecenedioylcarnitine (C18:1-DC)*ME10713140.960.811.050.780.640.632.510.63
anserineME10709000.910.930.880.520.540.592.581.04
carnosineME10707050.910.720.930.580.600.462.731.07
N-acetylkynurenine (2)ME10713530.660.531.030.550.911.011.971.37
14-HDoHE/17-HDoHEME10714360.570.711.100.430.910.862.211.21
N2,N6-diacetyllysineME10713280.510.501.130.560.921.052.241.10
1-linoleoyl-GPA (18:2)*ME10714160.470.421.420.681.080.672.261.34
4-acetamidobutanoateME10708350.440.641.210.581.190.692.270.99
homovanillate sulfateME10711970.600.581.120.691.090.742.171.03
4-imidazoleacetateME10710110.510.611.210.741.070.791.941.12
pipecolateME10708200.660.631.320.681.030.692.040.94
allantoic acidME10706940.560.481.490.561.110.642.091.06
phenol sulfateME10710990.370.441.340.671.270.772.190.96
glycine conjugate of C6H10O2 (3)*ME10716210.850.891.300.430.670.701.911.17
N-alpha-acetylornithineME10709150.540.721.430.810.601.011.881.00
cis-4-decenoylcarnitine (C10:1)ME10712000.940.731.180.630.810.702.060.94
carboxyethyl-GABAME10712480.860.911.260.850.720.681.890.82
methylphosphateME10711610.760.841.260.890.720.602.040.89
3-indoleglyoxylic acidME10715690.590.821.100.940.730.682.011.13
N-formylanthranilic acidME10712910.650.861.170.840.800.552.150.98
2-aminoheptanoateME10712890.770.611.240.650.711.132.050.84
galactonateME10709730.740.661.240.640.650.942.290.80
methylsuccinateME10708870.630.721.330.720.640.922.270.77
2-hydroxyphenylacetateME10707010.640.671.080.810.880.652.150.70
thiamin (Vitamin B1)ME10707930.640.521.150.870.900.932.090.90
creatine phosphateME10709050.630.360.810.841.021.142.190.89
fructosyllysineME10712990.440.520.760.761.081.002.261.19
2-keto-3-deoxy-gluconateME10713110.310.350.870.410.740.882.471.45
picolinateME10708170.320.600.730.590.781.032.391.56
dodecenedioate (C12:1-DC)*ME10715450.800.500.730.570.550.902.601.20
6-oxopiperidine-2-carboxylateME10712870.560.910.820.750.651.012.300.92
3-amino-2-piperidoneME10715670.550.861.140.720.680.792.171.09
N-acetylprolineME10710540.590.731.060.720.580.892.311.14
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*ME10714410.560.710.810.650.600.972.281.42
azelate (C9-DC)ME10708850.660.740.790.740.690.762.331.30
eicosenedioate (C20:1-DC)*ME10715960.810.571.020.660.610.682.381.25
indoleacetateME10709750.470.541.080.650.750.772.481.27
beta-sitosterolME1070974NANA1.11NA0.220.821.950.70
dopamine 3-O-sulfateME10713460.270.270.77NA0.500.782.290.78
docosapentaenoylcarnitine (C22:5n3)*ME10715240.460.231.000.410.800.471.760.96
vanillactateME10713300.720.691.25NA0.620.471.850.59
glyco-beta-muricholate**ME10715590.552.230.250.650.940.542.370.07
cis-4-hydroxyprolineME10709240.351.281.040.531.090.731.880.88
flavin adenine dinucleotide (FAD)ME1070721NA1.621.530.700.670.651.630.60
cysteinylglycine disulfide*ME10712120.441.860.990.660.531.531.330.66
pimelate (C7-DC)ME10709040.762.110.640.550.580.651.741.01
histidine betaine (hercynine)*ME10712670.320.122.190.36NANA2.010.18
2,8-quinolinediol sulfateME10712790.040.031.890.020.040.062.420.22
N-methyl-GABAME10712430.190.091.540.150.290.122.480.14
S-carboxymethyl-L-cysteineME10712030.420.511.040.460.30NA2.440.40
3-(4-hydroxyphenyl)propionateME10712290.300.330.930.14NA0.322.570.85
pentose acid*ME10716140.130.240.770.16NA0.233.070.66
HEPESME1070957NA0.231.480.03NA0.481.230.34
2-naphthol sulfateME1071578NANA0.63NANA0.651.540.48
3,5-dichloro-2,6-dihydroxybenzoic acidME1071610NANA1.410.130.17NA1.760.34
3-acetylphenol sulfateME10712810.21NA1.17NANANA1.300.25
hydroxymethylpyrimidineME10712490.19NA0.95NANANA1.510.27
2-methoxyhydroquinone sulfate (1)ME10716270.18NA0.75NANA0.221.710.28
perfluorohexanesulfonate (PFHxS)ME1071641NANA1.03NA0.220.151.690.51
3,4-dihydroxyphenylacetate sulfateME1071334NANA0.63NA0.35NA1.550.71
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*ME1071622NANA1.16NA0.55NA1.180.75
benzoylcarnitine*ME10712900.480.250.600.39NANA1.69NA
dihydroferulic acid sulfateME10715650.250.390.61NA0.18NA2.25NA
ferulateME10711060.170.170.74NA0.29NA1.90NA
1-methylguanidineME10709420.030.030.800.02NANA1.78NA
2-oxindole-3-acetateME10712400.03NA0.93NA0.070.052.01NA
glucuronide of C14H22O4 (2)*ME1071553NANA0.54NANA0.251.970.47
hydroquinone sulfateME1071124NANA0.740.220.270.222.100.45
4-allylphenol sulfateME1071168NANA0.44NANA0.172.380.18
glucuronide of C14H22O4 (1)*ME1071550NANA0.43NANA0.262.560.31
dihydrocaffeate sulfate (2)ME10715850.11NA0.66NANA0.062.390.28
3-hydroxy-2-methylpyridine sulfateME1071592NA0.020.710.020.020.022.47NA
4-acetylcatechol sulfate (1)ME10715890.060.060.860.07NANA2.460.06
alpha-muricholateME10710410.700.050.700.260.520.544.790.15
1,2,3-benzenetriol sulfate (2)ME10713500.080.050.600.060.050.044.580.09
4-allylcatechol sulfateME10715810.080.040.370.040.040.054.500.05
2,6-dihydroxybenzoic acidME10715870.020.021.630.030.020.046.190.05
2-aminophenol sulfateME10712800.020.011.860.020.030.025.410.04
3-hydroxypyridine sulfateME10713190.080.061.860.070.070.085.670.12
catechol sulfateME10711250.050.021.990.040.040.035.790.06
caffeic acid sulfateME10714400.210.192.080.140.090.123.960.18
N-acetylpyrralineME10713240.180.451.770.060.060.094.330.12
ferulic acid 4-sulfateME10713020.150.202.080.060.090.094.920.02
hippurateME10708940.180.172.010.270.170.134.960.11
3-phenylpropionate (hydrocinnamate)ME10708920.190.031.420.080.060.064.740.13
quinateME10709200.190.411.240.120.150.204.810.38
stachydrineME10710450.030.022.980.020.030.024.840.07
tauro-beta-muricholateME10710200.430.192.510.350.100.104.270.05
taurocholateME10708820.410.232.600.200.130.194.080.16
cinnamoylglycineME10711980.160.073.240.050.060.054.300.07
trigonelline (N^-methylnicotinate)ME10709860.210.303.100.010.020.034.300.03
N-delta-acetylornithineME10712880.080.102.870.090.090.354.060.36
phenylpropionylglycineME10711200.220.143.130.080.120.103.880.16
equol sulfateME10712530.000.002.680.000.000.003.710.00
homostachydrine*ME10711070.000.002.350.000.000.003.840.00
N,N-dimethylalanineME10715680.060.073.150.080.180.103.300.36
dimethyl sulfoneME10712750.130.112.870.220.240.133.650.31
N-methylprolineME10711780.220.142.760.230.310.283.530.38
trimethylamine N-oxideME10712500.070.102.400.130.910.283.300.81
eicosapentaenoate (EPA; 20:5n3)ME10708860.190.263.380.210.170.482.510.79
taurodeoxycholateME10708830.810.492.720.100.170.193.330.20
glycocholateME10707270.330.332.470.150.340.372.780.30
indolepropionylglycineME10714480.360.492.280.340.410.543.140.36
vanillic acid glycineME10716110.290.392.230.270.220.223.090.18
heneicosapentaenoate (21:5n3)ME10715100.050.102.830.080.070.092.790.16
S-methylmethionineME10711900.010.032.800.020.030.052.490.03
ergothioneineME10711870.350.093.180.510.150.113.200.41
taurochenodeoxycholateME10708810.700.233.280.320.150.202.960.16
UDP-N-acetylglucosamine/galactosamineME10712351.310.470.880.800.820.523.840.72
7-ketodeoxycholateME10709820.800.112.000.490.260.823.400.13
ursocholateME10712281.300.181.830.430.310.623.000.34
2-piperidinoneME10712760.100.151.170.850.170.184.140.27
maleateME10709390.280.341.311.120.370.363.740.47
salicylateME10707600.400.651.291.190.320.363.460.33
phenol glucuronideME10713610.180.381.180.470.940.593.610.54
indoleacrylateME10709510.260.431.700.550.420.613.011.01
N2,N5-diacetylornithineME10712930.200.151.800.170.340.763.170.92
docosahexaenoylcarnitine (C22:6)*ME10715210.480.291.480.440.870.462.870.58
4-methylcatechol sulfateME10712700.560.451.650.620.480.423.230.59
alpha-ketoglutaramate*ME10712080.580.491.110.570.580.633.290.75
glutamine_degradant*ME10711040.470.381.420.420.580.523.370.82
riboseME10708040.330.281.330.580.730.633.160.95
12,13-DiHOMEME10706690.780.841.470.320.270.443.380.50
pyrralineME10711560.290.621.460.230.230.413.300.21
4-hydroxycinnamate sulfateME10713180.520.571.440.470.570.732.970.18
imidazole propionateME10712540.510.771.970.420.350.532.920.52
4-hydroxycinnamateME10711470.760.531.800.620.500.602.700.37
cyclo(leu-pro)ME10711750.570.611.670.470.430.372.510.49
betonicineME10711860.030.021.350.040.020.023.940.05
3-(3-hydroxyphenyl)propionate sulfateME10713030.210.031.440.020.040.023.260.17
N,N-dimethyl-5-aminovalerateME10715880.230.321.390.250.15NA3.140.24
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**ME10715510.090.091.710.100.090.063.590.07
guaiacol sulfateME10712730.300.251.480.170.300.163.610.31
4-acetylphenol sulfateME10709410.470.401.880.330.260.273.680.42
12-HEPEME10711880.350.421.760.240.400.513.590.72
hexadecatrienoate (16:3n3)ME10714430.400.471.870.340.230.413.540.73
4-guanidinobutanoateME10709030.180.351.650.180.270.544.320.52
methionine sulfoneME10712960.150.181.680.190.290.414.070.53
2-isopropylmalateME10709190.250.251.230.310.330.743.990.71
indolepropionateME10709840.350.371.430.370.430.613.730.70
enterolactone sulfateME10715720.050.084.340.060.070.063.070.08
ethyl beta-glucopyranosideME10715700.100.073.830.090.090.090.730.07
methyl glucopyranoside (alpha + beta)ME10713100.010.015.400.010.010.000.180.01
taurohyodeoxycholic acidME10712591.150.593.260.480.390.171.860.09
tauroursodeoxycholateME10712270.960.453.020.550.270.242.340.18
nicotinamide N-oxideME10712201.510.292.261.260.770.570.910.44
4-hydroxyphenylacetate sulfateME10713600.350.473.220.471.040.361.290.80
phenylacetylglutamineME10710690.430.722.690.711.130.770.580.62
phenylacetylglycineME10710360.540.712.730.851.030.590.950.61

Factors:

F1Sample source:liver | Group:Con_10wk
F2Sample source:liver | Group:Con_16wk
F3Sample source:liver | Group:Con_4wk
F4Sample source:liver | Group:Con_7wk
F5Sample source:liver | Group:STZ_10wk
F6Sample source:liver | Group:STZ_16wk
F7Sample source:liver | Group:STZ_4wk
F8Sample source:liver | Group:STZ_7wk
Data matrix
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