Clustering data with hclust algorithm for (Study ST001940)

Reversed phase POSITIVE ION MODE (Analysis AN003156)
MetaboliteStructureF1F2F3F4F5F6F7F8
cholateME4463030.530.150.090.491.964.826.284.24
12-dehydrocholateME4460060.500.230.130.754.052.955.530.95
spermidineME4467750.750.460.650.492.923.193.152.53
taurocholateME4467970.040.183.190.380.232.755.170.75
13-HODE + 9-HODEME4460070.400.810.990.854.360.409.670.51
phenol sulfateME4467000.250.331.881.240.680.178.390.11
1-stearoyl-GPS (18:0)*ME4460540.970.550.991.010.211.027.401.12
2-oleoylglycerol (18:1)ME4460931.040.600.750.870.860.338.560.73
docosahexaenoate (DHA; 22:6n3)ME4463590.450.970.630.941.510.656.710.82
norvalineME4466490.441.720.430.361.050.516.190.88
1-methyladenineME4460190.770.610.660.932.990.496.690.75
1-oleoylglycerol (18:1)ME4460290.920.530.850.922.140.367.690.74
1,2,3-benzenetriol sulfate (2)ME4459920.056.120.063.510.070.180.190.06
1-linoleoylglycerol (18:2)ME4460160.790.570.890.914.370.276.500.37
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)ME4460420.860.600.790.596.741.585.111.18
uridine-2^,3^-cyclic monophosphateME4468360.560.840.980.905.280.825.150.83
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)ME4460380.760.471.710.406.440.495.550.40
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)ME4460410.970.491.410.546.060.455.350.23
gamma-glutamylalanineME4463980.480.540.621.018.050.682.980.86
sarcosineME4467600.870.550.660.888.270.364.400.70
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*ME4460481.180.581.050.725.650.493.610.24
arginineME4462480.870.291.800.666.480.522.571.04
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*ME4465200.840.441.560.579.660.73NA0.89
agmatineME4462170.620.280.281.017.890.381.031.44
ornithineME4466750.700.680.950.807.700.701.261.05
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*ME4465250.810.611.180.967.770.510.270.46
1-stearoyl-GPC (18:0)ME4460501.150.401.390.738.010.401.420.44
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]ME4466710.790.451.061.158.470.310.900.22
indoleacetylaspartateME4464820.180.190.121.917.010.380.110.40
1-linoleoyl-GPE (18:2)*ME4460181.240.632.400.495.660.340.560.76
choline phosphateME4467120.730.301.231.236.790.260.910.87
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*ME4466730.730.381.041.625.890.310.890.12
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*ME4465241.020.631.171.016.180.360.580.39
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]ME4466720.850.571.221.116.170.490.650.33
2,8-quinolinediolME4460610.571.261.110.633.230.930.351.11
gamma-glutamyltyrosineME4464090.670.890.940.943.331.000.651.97
imidazole lactateME4464760.630.561.340.763.851.080.612.37
guanidinoacetateME4464470.890.251.480.934.370.190.771.97
succinateME4467871.570.571.040.754.570.270.502.62
1-linoleoyl-GPC (18:2)ME4460171.610.501.890.433.950.301.060.94
maltotetraoseME4465411.030.741.990.384.070.52NA1.29
nervonate (24:1n9)*ME4466250.640.850.461.692.760.211.200.05
1-oleoyl-GPC (18:1)ME4460301.160.681.040.885.620.292.240.26
behenate (22:0)*ME4462550.820.850.621.205.070.281.770.19
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*ME4460281.840.611.200.564.700.472.380.25
1-stearoyl-GPE (18:0)ME4460511.330.571.050.944.520.571.440.68
tryptophan betaineME4468251.610.620.570.814.090.531.820.30
1-oleoyl-GPE (18:1)ME4460311.400.620.981.013.480.681.360.63
argininosuccinateME4462491.310.431.110.623.170.411.440.34
1-(1-enyl-oleoyl)-GPE (P-18:1)*ME4459881.300.800.880.953.430.640.790.95
1-(1-enyl-stearoyl)-GPE (P-18:0)*ME4459901.210.521.170.883.820.811.221.39
N-acetylmethionine sulfoxideME4466010.900.810.761.063.490.781.591.09
gamma-glutamylglutamateME4464011.090.750.840.913.591.272.911.29
cytidine 2^,3^-cyclic monophosphateME4463240.960.760.990.813.930.912.351.05
histidineME4464650.690.791.260.733.751.191.961.26
glycerolME4464250.900.681.150.874.280.363.290.67
1-stearoyl-2-oleoyl-GPC (18:0/18:1)ME4460491.080.790.920.894.070.692.460.33
palmitoyl sphingomyelin (d18:1/16:0)ME4466870.690.670.971.283.990.522.280.43
phenylacetylglycineME4467040.32NA1.120.714.77NANA0.39
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*ME4466740.840.501.131.424.650.500.770.21
4-hydroxycinnamateME4461580.390.730.921.774.050.441.470.53
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*ME4466840.470.610.592.074.010.420.640.87
pyridoxine (Vitamin B6)ME4467401.210.840.610.884.121.270.190.66
theanineME4468030.910.830.560.904.841.430.980.41
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*ME4465000.481.180.630.874.560.960.540.80
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME4465010.481.000.690.855.341.130.901.08
5-aminovalerateME4461890.960.460.680.754.811.920.422.88
betaineME4462650.350.432.580.454.070.340.643.05
creatineME4463150.290.082.510.574.190.712.063.27
2,3-dihydroxy-2-methylbutyrateME4460560.870.510.840.240.091.562.014.67
palmitoleate (16:1n7)ME4466820.520.820.570.910.341.163.053.64
phenyllactate (PLA)ME4467080.570.630.590.620.711.494.573.84
allantoinME4462200.140.422.780.321.070.410.853.71
galactonateME4463950.280.192.850.280.331.120.085.78
ribonateME4467510.410.222.710.370.330.650.615.44
phenethylamineME4466990.421.110.330.420.261.560.246.47
apigeninME4462390.860.170.160.241.020.580.295.81
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)ME4459931.080.210.140.920.200.050.395.35
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*ME4459940.770.110.100.970.200.050.156.45
hesperetinME4464550.640.101.080.150.230.630.094.89
N-acetylglucosamine 6-sulfateME4465900.290.311.111.29NA0.18NA5.57
chrysoeriolME4463070.130.07NA0.421.42NA0.144.56
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*ME4460150.800.431.030.351.700.340.485.00
naringeninME4466160.650.331.510.241.800.840.505.84
glycocholenate sulfate*ME4464360.510.074.030.090.261.140.010.80
acetylcarnitine (C2)ME4462110.130.084.200.170.380.900.092.11
arabonate/xylonateME4462420.240.134.830.150.800.280.302.21
laurylcarnitine (C12)ME4465050.470.163.470.190.430.760.722.62
pyroglutamine*ME4467410.590.283.770.330.420.300.712.45
5-(2-Hydroxyethyl)-4-methylthiazoleME4461700.711.023.410.520.300.240.381.83
gluconateME4464150.750.353.860.390.380.680.171.20
sucroseME4467910.460.443.850.470.200.470.141.74
hesperidinME4464560.28NA1.960.03NANANA1.74
2,8-quinolinediol sulfateME446062NANA2.51NA0.800.47NA0.22
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*ME4466700.870.612.451.040.030.050.030.82
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*ME4465220.820.612.681.060.600.110.050.28
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*ME4465230.740.732.780.900.380.180.020.46
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*ME4466900.630.612.740.860.260.240.060.41
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*ME4465171.020.473.420.480.020.020.010.09
thiamin (Vitamin B1)ME4468061.200.882.920.440.060.150.070.52
dopamine 3-O-sulfateME446363NA0.353.690.72NANANA0.17
3-(N-acetyl-L-cystein-S-yl) acetaminophenME4461060.630.133.000.86NA0.11NANA
4-acetaminophen sulfateME4461510.110.023.160.51NANANANA
loperamideME446529NA0.092.36NA0.01NA0.19NA
ranitidineME4467470.210.642.990.12NA0.00NA0.01
2-hydroxyibuprofenME4460830.671.522.880.291.32NA0.470.37
tauroursodeoxycholateME4468010.810.512.910.251.091.731.131.08
glucuronateME4464170.550.373.650.731.050.620.320.87
gamma-glutamylisoleucine*ME4464050.350.393.330.531.280.380.551.57
taurocholenate sulfateME4467980.550.282.800.331.170.810.171.25
2-oxoarginine*ME4460970.400.653.250.541.250.611.120.35
taurochenodeoxycholateME4467960.080.182.890.361.690.860.991.00
4-acetamidophenolME4461491.300.325.710.740.020.25NA0.14
mannitol/sorbitolME4465430.050.066.490.040.050.070.050.09
glycochenodeoxycholateME4464340.040.085.800.180.580.130.140.14
ferulic acid 4-sulfateME446384NA0.265.490.040.060.08NA0.06
glycocholateME4464350.020.055.720.100.010.050.010.05
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*ME4465180.820.444.200.330.010.020.010.14
glycodeoxycholateME4464370.120.165.180.350.630.200.150.13
glycoursodeoxycholateME4464420.050.244.850.270.230.250.110.18
citrateME4463120.360.174.450.270.080.510.080.31
glycolithocholate sulfate*ME4464380.450.155.080.120.050.250.050.31
taurolithocholate 3-sulfateME4468000.640.224.790.270.160.05NA0.19
threonateME4468080.280.214.960.160.430.190.421.23
cystineME4463220.350.205.010.280.430.361.090.38
tartarateME4467940.710.325.420.480.220.560.440.70
4-methylthio-2-oxobutanoateME4461670.530.804.051.380.240.251.580.74
urateME4468340.250.244.710.400.670.212.080.14
N-acetyl-aspartyl-glutamate (NAAG)ME4465852.120.140.120.13NA4.680.090.31
7-ketolithocholateME4462031.750.321.090.411.314.621.240.84
isoursodeoxycholateME4464910.920.790.260.671.474.302.151.20
ursodeoxycholateME4468380.850.600.210.561.074.082.072.09
(15:0)-anacardic acidME445985NA0.711.270.46NA2.51NA0.88
3-hydroxyoctanoateME4461260.530.540.440.460.414.120.761.17
feruloylputrescineME4463850.520.910.600.491.074.370.721.13
adipate (C6-DC)ME4462160.650.980.471.200.033.370.340.61
I-urobilinogenME4464940.740.960.830.650.723.510.171.02
syringic acidME4467930.591.130.470.400.852.800.512.22
5alpha-androstan-3alpha,17beta-diol monosulfate (1)ME4461760.600.640.461.030.372.690.391.53
N-acetyltaurineME4466100.980.880.710.880.093.240.932.01
liquiritigeninME4465260.130.531.200.640.963.440.042.25
succinylcarnitine (C4-DC)ME4467890.480.550.411.120.504.150.122.07
piperineME4467210.240.960.150.810.145.680.900.63
carnosineME4462890.410.400.170.37NA4.791.243.32
2-piperidinoneME4460991.200.660.680.580.265.340.121.95
7-ketodeoxycholateME4462021.180.190.290.230.666.370.602.56
acesulfameME4462100.211.910.141.420.150.061.480.07
N-palmitoyltaurineME4466540.391.470.141.54NA0.592.910.35
N-stearoyltaurineME4466590.431.680.270.98NA0.482.50NA
N-methylhydantoinME4466401.230.710.450.831.330.244.490.88
arachidate (20:0)ME4462430.870.930.951.110.940.274.700.20
eicosenoate (20:1)ME4463680.650.941.010.991.180.784.790.42
valerylphenylalanineME4468430.530.430.500.880.29NA4.97NA
3-hydroxyvalerateME4461330.780.68NA0.54NA0.454.010.40
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)ME4464410.951.460.690.920.160.484.600.24
N-acetylputrescineME4466060.681.090.650.520.271.904.062.42
heptanoate (7:0)ME4464541.090.960.711.040.100.313.362.31
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))ME4465680.690.840.601.010.611.553.431.76
1-palmitoyl-GPI (16:0)ME4460461.590.641.020.660.121.213.191.69
N-propionylmethionineME4466561.340.950.890.650.670.923.212.00
methionine sulfoneME4465490.461.670.520.340.340.623.551.06
alpha-hydroxyisovalerateME4462240.282.160.350.380.720.312.821.87
N-acetylleucineME4465990.581.810.540.541.530.412.970.84
N-acetylisoleucineME4465980.651.780.530.600.980.422.381.42
N-acetylvalineME4466140.951.710.640.560.640.722.270.99
oleanolateME4466650.630.641.591.390.050.253.370.06
N-stearoyl-sphingosine (d18:1/18:0)*ME4466580.731.080.531.070.331.212.781.37
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*ME4462970.900.920.671.110.470.893.201.12
hexadecadienoate (16:2n6)ME4464570.591.260.631.090.370.722.861.01
1-palmitoyl-GPG (16:0)*ME4460450.910.731.570.970.360.682.720.85
margarate (17:0)ME4465450.860.881.251.170.340.353.060.49
linoleate (18:2n6)ME4465140.821.011.011.070.580.562.910.74
nonadecanoate (19:0)ME4466480.721.071.031.170.390.442.820.51
arachidonate (20:4n6)ME4462440.550.980.990.991.021.403.440.66
10-heptadecenoate (17:1n7)ME4460020.470.810.831.380.360.993.890.76
docosapentaenoate (n3 DPA; 22:5n3)ME4463600.440.850.421.500.351.283.500.98
3-methyl-2-oxobutyrateME4461360.820.641.361.581.220.423.830.39
17-methylstearate (i19:0)ME4460110.820.850.941.270.330.363.600.73
8-hydroxyguanineME4462071.160.630.611.220.680.873.770.78
trans-nonadecenoate (tr 19:1)*ME4468151.270.750.711.090.850.434.020.61
putrescineME4467361.300.961.080.190.440.865.152.05
hyocholateME4464730.960.740.720.981.191.594.711.29
O-sulfo-L-tyrosineME4466780.940.971.060.331.542.145.041.45
valylglutamineME4468470.710.810.690.971.472.992.280.58
indolepropionateME4464840.720.820.870.842.552.033.160.85
phenylalanylalanineME4467061.110.760.610.841.692.203.080.80
N-methyl-GABAME4466380.720.520.720.780.733.684.261.03
dihomo-linoleate (20:2n6)ME4463440.390.990.621.040.702.344.400.47
3-dehydrocholateME4461161.310.450.240.410.502.402.890.94
anserineME4462371.350.960.290.790.382.173.550.67
2-palmitoylglycerol (16:0)ME4460980.670.940.660.780.322.473.010.67
3-methylhistidineME4461410.780.810.131.230.352.563.350.64
glycyrrhetinateME4464460.320.08NANA2.35NA3.55NA
2-hydroxydecanoateME4460800.561.050.750.762.861.343.361.04
N6-formyllysineME4465770.590.821.000.753.321.254.001.05
ceramide (d18:2/24:1, d18:1/24:2)*ME4462980.920.780.620.981.990.754.051.15
2-linoleoylglycerol (18:2)ME4460890.690.961.010.992.100.323.970.51
N-acetylphenylalanineME4466040.991.070.820.722.590.403.640.93
dehydrolithocholateME4463290.940.600.671.293.160.795.020.98
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*ME4459950.760.681.000.583.880.554.491.72
gamma-glutamylhistidineME4464040.650.991.170.483.870.664.431.29
creatinineME4463161.710.201.040.901.750.294.111.94
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)ME4460391.510.520.890.671.761.512.782.05
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)*ME4460140.870.621.150.552.470.483.292.73
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*ME4460360.780.850.870.872.370.622.472.08
gamma-glutamylphenylalanineME4464080.530.850.910.912.720.643.082.20
S-carboxymethyl-L-cysteineME4467610.470.531.340.471.951.104.003.46
argininate*ME4462470.620.680.810.663.101.054.372.50
salicylateME4467581.220.640.630.602.341.274.262.17
alpha-hydroxyisocaproateME4462230.093.340.100.230.670.080.802.46
chiro-inositolME4463020.462.170.920.170.790.190.102.30
fucitolME4463900.783.961.720.570.800.480.411.22
2-hydroxy-3-methylvalerateME4460760.242.980.180.380.510.191.711.35
3-(3-hydroxyphenyl)propionate sulfateME4461020.473.170.430.57NA0.321.180.18
eicosapentaenoate (EPA; 20:5n3)ME4463670.202.690.330.290.210.451.610.41
N(1)-acetylspermineME4465660.784.270.411.74NA0.280.610.31
4-acetamidobenzoateME4461470.383.390.280.290.240.170.110.27
secoisolariciresinolME4467630.083.260.551.23NA0.11NA0.55
alpha-tocopherol acetateME4462283.360.012.250.05NA0.030.000.00
2^-deoxyadenosineME4460702.910.580.750.461.041.291.060.83
5-hydroxylysineME4461934.370.440.440.790.410.581.071.03
6-hydroxynicotinateME4461983.500.310.450.630.320.860.410.91
butyrylglycineME4462763.090.44NA1.101.00NANA1.16
3-indoxyl sulfateME4461342.62NA0.421.15NA0.100.050.03
N-(2-furoyl)glycineME4465673.680.080.131.070.070.060.060.06
androstenediol (3beta,17beta) monosulfate (2)ME4462353.171.280.290.53NANANA0.08
1-methyl-beta-carboline-3-carboxylic acidME4460212.380.960.491.420.050.040.090.05
androstenediol (3alpha, 17alpha) monosulfate (2)ME4462312.201.380.521.03NA0.260.120.22
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*ME4459960.780.711.140.562.170.591.113.43
2-hydroxybutyrate/2-hydroxyisobutyrateME4460790.790.670.890.681.841.131.923.63
4-ethylphenylsulfateME446153NA0.88NA0.410.581.12NA2.00
glyciteinME4464330.120.52NANA0.801.00NA1.87
dexlansoprazoleME446335NA0.08NA0.34NA2.21NA2.28
metoprolol acid metabolite*ME4465560.530.240.500.32NA2.26NA2.15
1-(1-enyl-palmitoyl)-GPE (P-16:0)*ME4459891.330.471.220.691.691.520.452.85
genisteinME4464120.970.211.330.471.001.500.243.38
tyramineME4468271.231.100.790.520.911.380.122.69
21-hydroxypregnenolone disulfateME4460640.690.570.600.680.811.88NA3.18
androstenediol (3beta,17beta) disulfate (1)ME4462321.050.710.520.730.402.090.392.67
stachydrineME4467790.701.010.530.680.331.190.904.52
1-palmitoyl-GPS (16:0)*ME4460471.050.370.441.01NA1.320.633.78
3-(4-hydroxyphenyl)lactateME4461031.160.620.770.870.380.790.853.99
xyloseME4468560.980.801.150.770.580.850.553.82
gamma-glutamylglycineME4464031.290.251.190.740.59NA0.283.38
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)*ME4460370.790.850.711.000.710.760.902.91
dihydroferulic acidME4463490.830.870.781.030.530.710.643.06
furaneol sulfateME4463930.451.010.880.970.271.11NA2.82
thioprolineME4468070.631.060.541.110.910.61NA2.77
2-aminophenol sulfateME4460691.070.510.861.29NA0.850.142.94
11-ketoetiocholanolone sulfateME4460041.170.511.670.690.291.070.323.08
2-keto-3-deoxy-gluconateME4460881.130.601.410.820.401.110.602.65
daidzeinME4463260.670.520.920.681.042.980.204.25
2-(4-hydroxyphenyl)propionateME4460550.311.250.240.36NA2.09NA3.48
tryptamineME4468231.350.800.270.46NA1.71NA3.59
vanillactateME4468500.910.720.600.56NA2.07NA4.13
1,2-dipalmitoyl-GPC (16:0/16:0)ME4459980.750.472.670.512.690.871.720.56
cadaverineME4462773.260.271.890.190.500.322.040.47
3-(4-hydroxyphenyl)propionateME4461042.330.391.390.562.400.481.940.64
N1,N12-diacetylspermineME4465691.880.451.440.771.370.642.010.97
eriodictyolME4463740.940.42NANA0.332.37NANA
oleoylcholineME4466691.82NANA0.600.971.430.18NA
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3)ME4460351.240.320.370.920.520.162.073.59
caproate (6:0)ME4462830.600.660.481.470.470.672.112.70
phytanateME4467150.320.740.541.950.220.231.671.67
pristanateME4467270.600.990.381.260.370.322.261.72
ponciretinME4467221.500.091.350.160.252.210.521.49
2^-deoxycytidineME4460721.400.521.700.500.502.220.921.83
4-acetamidobutanoateME4461481.390.561.800.600.472.000.661.35
nicotinate ribonucleosideME4466351.030.691.490.690.801.810.202.16
prolylglycineME4467291.030.701.850.590.821.371.072.11
piperidineME4467201.710.831.510.570.110.640.161.98
epicatechinME4463722.160.410.840.30NA1.100.322.19
nicotianamineME4466311.940.591.240.560.691.200.342.60
3-methylglutaconateME4461391.67NA1.270.45NA1.26NA0.89
2-methylcitrate/homocitrateME4460911.090.831.250.860.121.770.171.26
alpha-CEHC sulfateME4462220.730.661.150.99NA1.47NA1.26
2-aminophenolME4460681.300.621.121.040.241.270.321.91
N-acetylaspartate (NAA)ME4465841.430.751.050.920.011.390.021.53
xanthurenateME4468551.850.860.860.940.161.27NA1.62
thymidine 5^-monophosphateME4468142.020.840.931.112.070.160.960.27
2^-deoxyadenosine 5^-monophosphateME4460711.320.790.911.471.910.140.580.21
2^-deoxycytidine 5^-monophosphateME4463271.210.830.861.432.250.150.800.37
1,2-dilinoleoyl-GPC (18:2/18:2)ME4459971.590.691.740.741.950.270.960.32
4-hydroxycyclohexylcarboxylic acidME4461590.751.331.450.722.070.470.790.27
3b-hydroxy-5-cholenoic acidME4461130.981.460.570.931.540.470.900.54
N-acetyl-1-methylhistidine*ME4465790.941.420.411.051.460.840.310.55
3,4-dihydroxyphenylacetateME4461080.881.071.121.201.490.53NA0.23
ibuprofenME4464750.651.291.101.071.80NA0.320.12
adenosine 5^-monophosphate (AMP)ME4462300.691.020.841.471.370.440.760.46
phosphateME4467111.010.900.951.550.870.430.290.20
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*ME4466911.120.641.331.162.360.830.760.45
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*ME4466930.870.541.071.461.861.320.550.62
tyrosolME4468300.900.730.591.452.210.990.940.49
glucoseME4464160.720.821.520.811.461.790.491.25
dihydrocaffeateME4463481.000.981.001.001.781.360.590.58
isocaproate (i6:0)ME4464880.920.940.910.881.501.840.800.64
bilirubin (Z,Z)ME4462681.200.970.711.131.201.110.041.04
biliverdinME4462711.330.970.970.931.121.080.130.75
kynurenineME4464961.430.891.040.761.550.890.911.25
N1-Methyl-2-pyridone-5-carboxamideME4465701.690.920.910.851.560.921.070.91
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*ME4466921.090.731.381.091.540.950.440.70
glycerol 3-phosphateME4464261.210.861.031.231.560.450.430.52
N-delta-acetylornithineME4466231.330.971.000.991.480.530.910.59
2-isopropylmalateME4460871.280.222.850.470.341.590.421.66
lactobionateME4464981.110.612.240.550.280.930.241.70
carnitineME4462880.650.652.640.750.350.950.661.03
fructoseME4463890.610.542.920.500.511.020.541.75
N-acetylthreonineME4466110.330.991.750.830.581.140.761.39
glutarate (C5-DC)ME4464230.631.022.050.810.091.250.390.83
maltoseME4465401.000.731.990.790.581.620.320.63
myristoylcarnitine (C14)ME4465641.161.031.720.420.471.360.320.92
4-hydroxyhippurateME4461611.060.121.951.360.590.37NA1.65
cinnamateME4463091.330.491.641.970.520.640.361.04
15-methylpalmitate (i17:0)ME4460091.330.861.511.010.360.271.520.50
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*ME4464390.921.051.851.00NA0.331.600.29
2-hydroxybehenateME4460780.991.141.081.220.490.270.850.27
N-methylpipecolateME4466431.350.961.131.120.420.350.750.52
N-acetylpyrralineME4466070.921.161.641.230.340.490.400.16
trigonelline (N^-methylnicotinate)ME4468210.910.831.691.220.430.261.010.28
taurodeoxycholateME4467990.350.801.621.21NA0.06NA0.75
catechol sulfateME4462930.551.051.831.37NA0.360.220.23
serotoninME4467670.400.672.081.410.080.570.090.26
galacturonateME4463961.350.522.260.930.090.470.430.70
oxalate (ethanedioate)ME4466791.320.812.380.620.140.790.310.38
p-cresolME4466971.420.901.910.750.500.800.400.68
2,3-dihydroxyisovalerateME4460571.270.631.990.920.750.540.530.61
2-oxo-1-pyrrolidinepropionateME4460961.210.841.800.970.590.650.630.44
1-linolenoylglycerol (18:3)ME4460131.370.781.750.990.180.240.710.63
laurate (12:0)ME4465041.770.741.860.670.120.570.630.59
dihydoxyphenylalanine (L-DOPA)ME4463470.930.902.090.970.170.540.330.87
13-HOTrEME4460080.991.121.940.78NA0.230.540.62
linolenate [alpha or gamma; (18:3n3 or 6)]ME4465150.820.951.861.080.060.230.390.71
2-oxindole-3-acetateME4460951.421.151.730.650.070.400.031.05
indoleME4464781.161.151.810.71NA0.65NA0.36
carboxyibuprofenME4462870.860.911.981.160.87NA0.160.30
arabitol/xylitolME4462410.660.412.291.010.880.400.431.33
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*ME4463390.750.631.871.300.770.550.410.74
erythroseME4463780.800.752.120.960.710.500.371.03
diacetylchitobioseME4463380.290.940.281.45NANANA2.26
diosmetinME4463540.34NANA1.490.400.140.122.08
S-allylcysteineME446759NA0.600.261.20NA0.92NA1.61
protoporphyrin IXME4467320.980.830.521.560.030.650.111.37
2,4-dihydroxyhydrocinnamateME4460601.320.750.571.18NA0.58NA1.99
orotateME4466761.240.920.651.230.190.650.301.69
L-urobilinME4465310.661.060.781.14NA0.790.022.04
N-methylprolineME4466440.661.030.431.540.330.680.291.75
N-stearoyl-sphinganine (d18:0/18:0)*ME4466570.541.150.451.400.221.050.501.63
3-hydroxypyridineME4461291.360.780.721.310.860.571.940.53
3-methyl-2-oxovalerateME4461370.800.691.391.600.400.511.730.55
4-hydroxyphenylpyruvateME4461630.730.831.071.410.870.722.140.82
stearate (18:0)ME4467800.781.061.041.180.500.512.260.49
1-methylurateME4460261.020.940.611.410.140.702.030.55
3-hydroxypalmitateME4461270.701.400.421.400.011.011.990.23
5-acetylamino-6-formylamino-3-methyluracilME4461721.221.420.601.110.120.221.290.47
hexadecatrienoate (16:3n3)ME4464610.911.380.291.210.260.391.680.52
2-hydroxypalmitateME4460851.061.131.061.150.570.181.700.37
docosadienoate (22:2n6)ME4463580.991.281.001.050.320.271.780.24
2-hydroxylaurateME4460840.991.101.031.050.580.511.490.71
6-oxolithocholateME4461990.721.231.011.100.470.551.500.60
1-methylxanthineME4460270.971.240.701.130.160.741.590.92
N-trimethyl 5-aminovalerateME4466600.891.170.691.150.520.731.660.76
S-methylcysteineME4467720.601.221.480.700.810.561.691.21
myristate (14:0)ME4465620.870.751.561.060.370.551.751.19
N-acetylglucosaminylasparagineME4465920.740.791.321.050.900.871.841.36
N-acetylneuraminateME4466030.820.841.251.080.680.542.201.17
7-methylxanthineME4462061.540.581.120.91NA0.861.611.10
1-stearoyl-GPG (18:0)ME4460521.050.910.901.030.250.911.801.13
N-propionylalanineME4466551.241.120.610.880.521.131.781.10
glutamyl-meso-diaminopimelateME4464220.851.190.741.88NA0.651.010.85
margaroylcarnitine (C17)*ME4465460.601.000.561.610.231.021.350.96
1,7-dimethylurateME4460010.931.170.461.220.090.731.381.18
N-formylanthranilic acidME4466271.071.040.651.270.210.720.970.92
N-acetyl-3-methylhistidine*ME4465801.600.900.271.190.231.181.070.58
linoleoyl ethanolamideME4465191.440.750.801.490.030.840.790.36
mevalonate 5-diphosphateME4465581.201.020.981.27NA0.521.090.47
methyl indole-3-acetateME4465520.641.081.671.21NA0.66NA1.44
beta-cryptoxanthinME4462620.571.591.010.830.100.540.161.43
hydroxymethylpyrimidineME4464710.711.590.970.810.460.290.651.18
5alpha-androstan-3beta,17alpha-diol monosulfate (2)ME4461791.501.370.391.03NA0.37NA1.10
5-hydroxyhexanoateME4461921.121.051.450.920.140.370.731.27
2,3-dimethylsuccinateME4460581.101.031.220.95NA0.520.610.82
dopamineME4463621.061.041.431.010.240.610.550.52
1,3-dimethylurateME4460000.811.260.981.06NA0.470.900.85
quinateME4467440.941.091.181.000.100.730.901.08
2-aminoadipateME4460661.041.110.751.110.261.150.530.89
N-acetylglutamateME4465931.141.120.940.960.251.150.310.98
lanosterolME4465030.931.121.021.060.370.920.670.87
behenoylcarnitine (C22)*ME4462571.121.071.031.020.401.160.440.67
oleoyl ethanolamideME4466671.011.220.971.040.330.950.480.57
palmitoyl ethanolamideME4466860.961.170.981.080.311.000.340.71
16a-hydroxy DHEA 3-sulfateME4460101.131.310.741.02NA0.980.200.85
3-methylglutarate/2-methylglutarateME4461401.061.091.081.010.050.920.270.85
tricarballylateME4468191.001.250.951.060.160.950.060.66
4-hydroxybenzyl alcoholME4461561.160.900.781.01NA1.26NA0.90
methylsuccinateME4465551.211.151.040.920.041.220.070.75
3,5-dihydroxybenzoic acidME4461091.450.801.081.090.560.94NA0.93
dimethylmalonic acidME4463531.080.951.110.95NA0.92NA1.04
fumarateME4463921.220.911.230.890.101.010.091.23
pimelate (C7-DC)ME4467181.290.831.081.030.311.070.490.95
alpha-tocopherolME4462271.460.971.230.890.220.860.430.74
N-carbamoylglutamateME4466211.360.711.151.01NA0.940.270.81
undecanedioate (C11-DC)ME4468321.161.330.780.840.180.930.271.21
4-hydroxyglutamateME4461601.450.890.910.89NA1.030.431.24
maltolME4465391.190.970.890.94NA0.920.471.47
homocitrullineME4464671.241.040.950.950.250.990.431.48
pyridoxateME4467391.190.991.090.870.301.140.391.45
hexadecanedioate (C16-DC)ME4464580.801.170.691.050.331.360.271.46
3-hydroxysuberateME4461320.940.950.841.07NA1.310.521.26
hydantoin-5-propionic acidME4464690.810.910.871.230.311.220.721.11
1-methylimidazoleacetateME4460241.400.970.691.140.380.820.571.03
carotene diol (1)ME4462901.181.280.621.050.270.490.501.15
glutamate, gamma-methyl esterME4464191.070.911.121.030.630.900.551.31
quinolinateME4467461.050.871.071.130.410.840.311.33
nicotinamideME4466320.741.160.981.160.440.580.631.17
suberate (C8-DC)ME4467860.981.080.931.150.320.640.291.24
caffeineME4462800.660.971.021.330.080.890.521.50
N-acetylcysteineME4465890.920.901.051.29NA0.660.291.01
theophyllineME4468050.790.990.861.32NA0.740.560.96
3-aminoisobutyrateME4461111.580.990.901.170.520.560.490.50
4-cholesten-3-oneME4461521.370.980.841.270.230.630.240.48
dipicolinateME4463571.381.181.060.93NA0.380.120.47
octadecanedioate (C18-DC)ME4466631.341.131.080.890.330.32NA0.58
azelate (C9-DC)ME4462531.211.051.141.070.250.560.260.79
sebacate (C10-DC)ME4467621.191.041.091.040.230.610.350.66
carotene diol (2)ME4462911.191.230.891.010.320.480.370.88
carotene diol (3)ME4462921.171.280.841.050.150.480.220.84
beta-muricholateME4462661.141.130.971.130.150.480.050.56
indolin-2-oneME4464851.151.240.901.060.300.350.130.70
3-methyladipateME4461381.291.250.611.05NA0.460.070.50
5alpha-androstan-3beta,17beta-diol monosulfate (1)ME4461811.081.140.601.06NA0.61NA1.06
flavin mononucleotide (FMN)ME4463871.230.980.761.08NA0.61NA0.82
5-hydroxymethylfurfuralME4461940.941.580.880.81NA0.310.480.78
sitostanolME4467700.841.470.700.93NA0.590.130.96
xanthosineME4468540.711.230.991.230.250.630.520.47
delta-tocopherolME4463300.771.270.931.150.170.810.450.72
gamma-tocopherol/beta-tocopherolME4464100.831.290.911.150.200.650.490.67
5-acetylamino-6-amino-3-methyluracilME4461710.881.220.721.31NA0.220.430.45
palmitoylcholineME4466890.731.211.011.190.110.370.270.51
coprostanolME4463140.721.600.870.96NA0.510.110.47
3-carboxyadipateME4461150.981.301.181.080.050.320.070.30
4-oxo-retinoic acidME4461680.881.181.130.94NA0.45NA0.59
5alpha-androstan-3beta,17alpha-diol monosulfate (1)ME4461780.861.301.260.94NA0.45NA0.67
guanosine-2^,3^-cyclic monophosphateME4464500.941.380.580.86NANA0.380.40
dihydroorotateME4463501.111.130.441.520.120.220.330.46
paraxanthineME4466960.971.040.481.31NA0.500.540.73
epiandrosterone sulfateME4463711.071.650.371.100.641.021.070.76
pterinME4467351.051.250.581.180.720.510.210.54
3,4-dihydroxybenzoateME4461070.921.620.780.850.510.420.890.55
biotinME4462730.921.310.641.140.560.450.840.52
1-methylguanidineME4460220.971.330.561.220.280.640.590.60
stearoyl ethanolamideME4467820.861.230.641.270.500.760.720.65
enterolactoneME4463700.411.410.791.380.090.860.160.41
anthranilateME4462380.591.100.961.07NA0.81NANA
caffeateME4462780.731.471.150.810.191.01NA0.21
3-hydroxycinnamateME4461200.831.26NA1.16NA0.850.320.77
cholate sulfateME4463041.311.590.471.200.050.860.390.37
p-cresol sulfateME4466981.041.080.571.400.101.260.200.27
5alpha-androstan-3beta,17alpha-diol disulfateME4461771.281.040.351.39NA1.00NA0.63
ursodeoxycholate sulfate (1)ME4468391.031.120.491.38NA1.030.060.48
S-methylmethionineME4467730.691.421.280.681.211.240.550.22
palmitoleoylcarnitine (C16:1)*ME4466830.471.481.230.790.450.850.510.75
linoleoylcarnitine (C18:2)*ME4465210.931.201.440.770.930.720.740.97
valine betaineME4468450.861.091.441.000.630.960.390.66
3-sulfo-L-alanineME4461450.581.060.741.120.381.171.601.56
ceramide (d18:1/14:0, d16:1/16:0)*ME4462950.530.980.721.230.981.051.571.59
cis-4-hydroxycyclohexylacetic acidME4463100.651.160.791.051.041.121.061.50
kynurenateME4464950.691.030.930.991.151.171.321.63
ceramide (d18:1/17:0, d17:1/18:0)*ME4462960.741.070.621.180.790.841.581.17
leucylglycineME4465090.881.060.441.320.840.751.181.25
N-palmitoyl-sphinganine (d18:0/16:0)ME4466520.751.100.581.250.721.020.891.30
O-acetylhomoserineME4466611.101.330.830.750.830.941.200.87
7-ketocholesterolME4462011.081.060.711.190.710.721.140.78
leucylalanineME4465071.030.970.711.180.840.811.370.98
dimethylglycineME4463521.370.900.901.010.920.741.290.88
beta-sitosterolME4462671.340.930.871.040.680.861.200.81
campesterolME4462811.201.010.791.070.570.881.390.82
N-acetylcitrullineME4465881.330.940.970.960.691.180.870.81
stigmasterolME4467851.310.980.871.090.640.880.820.64
beta-guanidinopropanoateME4462631.361.190.720.870.640.840.990.89
ursodeoxycholate sulfate (2)ME4468401.460.990.960.830.450.891.170.90
N-methylglutamateME4466391.280.831.011.170.780.670.680.85
sedoheptuloseME4467651.350.881.100.971.010.680.691.19
alpha-tocotrienolME4462291.191.201.010.890.370.670.660.94
gamma-tocotrienolME4464111.141.240.870.930.500.710.830.84
pipecolateME4467191.131.120.711.100.740.810.730.87
cerotoylcarnitine (C26)*ME4462991.001.130.851.120.560.680.750.97
maleateME4465351.081.121.011.000.710.570.640.94
thymineME4468120.671.241.121.010.660.690.890.90
palmitate (16:0)ME4466810.851.031.061.170.740.641.120.74
cholesterolME4463051.000.980.981.250.500.680.900.63
oleate/vaccenate (18:1)ME4466660.811.021.011.260.660.730.850.65
arachidoyl ethanolamide (20:0)*ME4462450.861.100.931.240.790.620.880.56
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME4464400.901.011.021.250.760.690.890.56
lignoceroylcarnitine (C24)*ME4465121.081.090.891.041.020.740.900.80
behenoyl ethanolamide (22:0)*ME4462561.051.030.931.230.900.470.870.60
lignoceroyl ethanolamide (24:0)*ME4465111.101.020.911.150.850.570.970.72
4-methyl-2-oxopentanoateME4461650.730.901.151.450.440.811.010.76
alpha-ketoglutarateME4462251.020.761.191.230.480.921.180.76
N-methylleucineME4466410.970.741.171.310.350.751.090.86
ferulateME4463830.660.940.941.340.450.851.051.19
N-acetylhistamineME4465960.960.990.951.090.350.981.281.07
N-palmitoylglycineME4466500.921.000.941.190.771.191.200.45
oleoylcarnitine (C18:1)ME4466680.751.240.781.190.631.111.010.79
stearoylcarnitine (C18)ME4467830.871.010.681.260.381.241.070.95
glycerophosphoglycerolME4464280.870.941.001.021.251.060.701.44
N-acetylglutamineME4465940.821.070.830.961.141.460.891.30
N-acetylhistidineME4465970.990.981.000.941.211.260.711.17
aspartateME4462510.840.941.160.921.011.320.921.31
palmitoylcarnitine (C16)ME4466880.830.881.141.021.081.390.681.20
levulinate (4-oxovalerate)ME4465100.840.930.981.010.851.391.291.33
riboflavin (Vitamin B2)ME4467501.001.080.820.900.901.251.031.31
nicotinateME4466341.030.950.870.991.141.221.081.18
pantothenateME4466951.050.990.860.941.061.141.151.32
N6-methyladenosineME4465780.591.090.871.021.131.291.341.15
pyridoxamineME4467380.911.040.820.921.401.421.151.11
10-hydroxystearateME4460030.681.030.861.301.030.811.170.78
benzoateME4462580.760.970.791.221.071.050.911.04
N-acetylmuramateME4466020.921.041.031.001.400.820.940.95
N-alpha-acetylornithineME4466150.801.171.121.011.120.730.730.72
cis-urocanateME4463110.840.971.330.921.061.131.090.88
5-oxoprolineME4461970.791.061.370.921.040.761.110.88
N-acetylglycineME4465950.891.051.340.940.850.651.140.74
fucoseME4463910.930.831.021.131.130.901.091.30
N-acetylglucosamine/N-acetylgalactosamineME4465910.860.841.251.111.060.791.021.11
N-acetylasparagineME4465830.920.971.160.950.971.021.231.06
N-methylalanineME4466370.991.051.020.990.920.901.220.85
pseudouridineME4467340.951.051.120.960.900.831.130.94
6-oxopiperidine-2-carboxylateME4462000.991.131.000.841.140.881.151.07
2^-O-methyluridineME4460940.761.130.930.971.020.941.151.11
xanthineME4468530.721.141.000.991.030.941.171.08
hypoxanthineME4464740.881.091.020.961.040.970.901.09
N-acetylalanineME4465810.791.111.060.990.860.851.011.16
glycerophosphoinositol*ME4464290.950.531.001.421.170.971.141.22
acisogaME4462121.300.741.100.981.011.071.300.99
mevalonolactoneME4465591.400.681.300.870.921.081.260.97
cysteineME4463180.990.781.500.820.381.220.741.82
D-urobilinME4463641.130.940.910.840.571.400.491.91
malateME4465341.070.860.990.940.351.360.811.82
cytosineME4463251.200.700.990.940.831.570.581.81
gentisateME4464131.360.771.170.600.871.510.781.82
methyl glucopyranoside (alpha + beta)ME4465510.930.831.221.210.800.990.690.85
nicotinamide ribosideME4466330.890.991.001.080.851.120.531.17
glutamateME4464180.920.961.110.970.541.310.751.29
malonylcarnitineME4465371.101.021.210.830.411.120.711.25
pyridoxalME4467371.160.931.020.870.691.230.651.56
succinimideME4467880.981.021.010.910.861.030.851.48
bilirubin (E,Z or Z,E)*ME4462700.770.821.390.870.781.350.291.42
beta-hydroxyisovalerateME4462641.220.901.220.720.651.610.641.33
deoxycarnitineME4463311.160.771.190.901.071.560.631.15
histamineME4464641.190.901.261.010.231.021.160.60
3-(3-hydroxyphenyl)propionateME4461011.381.030.850.890.041.260.960.73
3-hydroxysebacateME4461311.351.000.961.010.100.960.800.57
nervonoylcarnitine (C24:1)*ME4466261.190.941.271.010.171.310.520.68
erucoylcarnitine (C22:1)*ME4463760.930.991.071.010.171.450.970.74
3,7-dimethylurateME4461101.171.000.821.040.071.370.780.79
arachidoylcarnitine (C20)*ME4462461.071.020.941.050.201.480.720.76
phenylacetateME4467011.091.200.670.830.491.641.120.92
trans-urocanateME4468161.011.110.810.900.711.381.141.09
4-imidazoleacetateME4461641.201.030.670.940.401.580.561.31
5alpha-androstan-3beta,17beta-diol disulfateME4461801.311.160.680.830.671.270.781.17
N-carbamoylaspartateME4466201.290.870.940.950.091.351.351.04
cysteine s-sulfateME4463190.900.931.140.890.441.341.311.48
pyruvateME4467431.090.811.400.890.291.470.921.05
tetrahydrocortisoneME4468021.310.711.150.900.451.380.961.32
allo-threonineME4462211.880.960.690.980.920.410.571.28
adenineME4462132.110.790.680.821.141.190.670.68
methylmalonate (MMA)ME4465532.000.820.910.830.111.320.660.93
picolinateME4467171.570.850.920.83NA1.410.701.14
N2-acetyllysineME4465721.730.820.670.800.861.660.621.28
beta-alanineME4462611.831.040.640.760.660.990.671.04
3-(2-hydroxyphenyl)propionateME4461001.711.110.520.880.691.490.860.69
sulfate*ME4467921.541.040.830.910.411.290.440.72
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)ME4461140.561.690.300.881.070.48NA1.35
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*ME4464990.681.370.381.040.901.200.451.39
N6-carboxyethyllysineME4465750.651.440.641.091.380.980.571.17
bilirubin (E,E)*ME4462690.861.030.661.120.851.76NA0.82
hemeME4464521.201.010.661.080.191.630.150.98
pregnen-diol disulfate C21H34O8S2*ME4467250.831.540.580.910.461.510.500.80
pregn steroid monosulfate C21H34O5S*ME4467230.571.340.401.240.492.220.520.93
androstenediol (3beta,17beta) monosulfate (1)ME4462340.541.500.271.420.111.920.181.17
pregnenolone sulfateME4467260.671.610.351.300.181.630.440.93
5alpha-androstan-3alpha,17alpha-diol monosulfateME4461740.590.880.381.330.521.690.591.39
5alpha-androstan-3beta,17beta-diol monosulfate (2)ME4461820.570.940.411.280.721.730.481.04
5alpha-androstan-3alpha,17alpha-diol disulfateME4461730.681.100.481.110.711.690.900.98
androsterone sulfateME4462360.981.060.301.290.851.680.931.08
androstenediol (3beta,17beta) disulfate (2)ME4462330.780.990.461.130.451.790.581.87
sphinganineME4467770.631.080.501.180.481.630.601.87
carboxyethyl-GABAME4462860.720.990.761.180.681.410.711.41
hexadecasphinganine (d16:0)*ME4464590.601.100.601.160.531.670.721.54
dehydroisoandrosterone sulfate (DHEA-S)ME4463280.761.210.380.960.731.820.931.94
sphingosineME4467780.471.060.571.090.441.831.022.17
hexadecasphingosine (d16:1)*ME4464600.330.791.071.300.431.550.761.40
phytosphingosineME4467160.810.791.011.030.652.041.111.30
7-methylguanineME4462040.730.921.020.930.461.920.821.66
sphingadienineME4467760.500.860.901.190.172.010.681.62
3-hydroxyhexanoateME4461220.731.240.490.83NA1.431.022.20
orotidineME4466770.700.790.461.530.121.560.451.93
3-ketosphinganineME4461350.471.060.481.220.301.450.172.56
heptadecasphingosine (d17:1)ME4464530.371.120.421.400.291.230.332.07
riboseME4467520.541.090.701.201.051.460.582.24
3-ureidopropionateME4461461.161.150.590.890.601.140.102.04
eicosanoylsphingosine (d20:1)*ME4463660.800.990.870.940.551.400.252.25
pantetheineME4466940.780.840.751.020.391.590.301.97
harmaneME4464512.261.120.880.60NA0.911.550.75
N-methyltryptophanME4466462.170.890.400.79NANA1.240.54
3-hydroxy-2-ethylpropionateME4461171.611.56NA0.790.87NA0.960.67
pheophorbide AME4467101.291.770.240.640.080.581.280.90
1-methylhistamineME4460231.360.621.18NANANA0.50NA
phenylacetylglutamateME4467022.140.821.580.70NANA0.94NA
1-oleoyl-GPI (18:1)*ME4460331.830.410.831.01NA0.58NA0.44
saccharopineME4467572.220.501.220.930.220.350.150.76
digalacturonic acidME4463422.230.770.970.68NA0.500.091.10
ethylmalonateME4463801.820.801.160.830.050.810.251.03
1-methylnicotinamideME4460251.910.691.530.780.520.770.300.49
mannoseME4465441.690.821.280.960.620.700.960.62
deoxymugineic acidME4463341.671.261.210.710.630.480.510.48
tyramine O-sulfateME4468281.861.200.790.790.700.200.560.16
dodecanedioate (C12-DC)ME4463612.261.110.820.580.240.670.340.74
N-carbamoylsarcosineME4466222.251.170.550.900.460.410.570.47
5alpha-pregnan-3beta,20alpha-diol disulfateME4461841.421.621.250.620.090.310.100.22
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)ME4461851.871.121.140.53NA0.18NA0.29
escitalopramME4463791.510.561.150.78NANANANA
nicotinic acid mononucleotide (NaMN)ME4466361.890.541.471.540.110.06NA0.11
tiglylcarnitine (C5:1-DC)ME4468131.570.352.270.46NA0.10NA0.47
1,3,7-trimethylurateME4459992.410.631.900.710.010.150.190.16
skatolME4467712.330.372.530.47NANANANA
caprylate (8:0)ME4462842.400.472.280.33NA0.780.580.25
3-methylurate*ME4461421.700.542.030.68NA1.100.480.30
theobromineME4468041.910.722.010.570.101.201.100.44
N-glycolylneuraminateME4466302.810.601.430.260.200.780.310.99
N-methyltaurineME4466452.631.111.720.49NA0.83NA0.77
4-hydroxyphenylacetateME4461622.660.881.140.510.631.110.610.49
indoleacetateME4464812.470.611.610.500.430.590.790.61
glycerophosphoserine*ME4464310.710.561.150.712.451.311.462.43
tryptophanME4468240.880.781.200.731.801.421.222.05
erythronate*ME4463770.800.761.620.701.510.821.671.98
myo-inositolME4465611.030.651.530.621.740.700.912.40
ribitolME4467490.570.831.310.881.630.500.832.39
glycerophosphorylcholine (GPC)ME4464301.560.641.280.771.710.440.861.96
N6,N6,N6-trimethyllysineME4465732.210.411.350.571.690.501.111.76
lysylleucineME4465331.500.590.511.241.950.66NA2.19
3-hydroxybutyrate (BHBA)ME4461190.990.540.421.482.391.091.081.76
2,4,6-trihydroxybenzoateME4460591.570.870.850.772.480.840.821.50
glycerophosphoethanolamineME4464271.090.631.121.041.901.120.691.59
imidazole propionateME4464771.970.610.700.530.741.161.482.96
diaminopimelateME4463400.800.940.740.710.601.401.402.97
prolineME4467280.760.860.950.751.151.261.642.79
ectoineME4463651.270.680.501.230.800.601.662.22
N(^1)-acetylspermidineME4465651.750.580.980.890.790.711.721.60
N-acetylprolineME4466051.530.880.720.700.641.101.891.93
gamma-glutamylmethionineME4464071.550.650.780.721.221.190.922.29
malonateME4465361.390.910.850.861.261.200.451.42
cysteinylglycineME4463211.290.640.850.751.411.340.351.95
trimethylamine N-oxideME4468221.311.020.640.651.381.520.411.99
3-hydroxy-3-methylglutarateME4461180.960.370.901.510.690.760.842.38
ribulose/xyluloseME4467531.150.651.081.200.520.560.242.32
arabinoseME4462401.150.541.201.270.930.480.751.78
propionylglycineME4467310.940.710.970.990.960.911.241.86
trans-4-hydroxyprolineME4464721.130.621.011.080.721.151.241.88
N-monomethylarginineME4466470.660.580.840.932.342.191.071.25
1-oleoyl-GPG (18:1)*ME4460320.450.311.511.151.171.681.920.38
dihomo-linolenate (20:3n3 or n6)ME4463450.741.400.521.021.071.431.380.43
tyrosylglycineME4468310.621.020.581.071.702.051.580.48
5alpha-androstan-3alpha,17beta-diol disulfateME4461752.230.690.920.641.171.891.460.81
4-guanidinobutanoateME4461541.430.581.100.851.501.541.731.08
N-acetyltyrosineME4466131.391.060.840.621.201.771.410.82
serineME4467660.820.911.280.841.251.281.541.25
threonineME4468090.810.911.430.781.031.141.441.39
glycerateME4464240.840.751.390.891.081.281.821.29
glycineME4464320.700.801.470.891.381.131.701.29
thymidineME4468110.871.041.180.681.081.441.151.58
cysteine sulfinic acidME4463201.010.811.100.831.191.231.421.54
isoleucineME4464890.871.010.940.861.391.231.441.37
2^-deoxyinosineME4460740.820.871.350.640.861.931.471.69
2-methylserineME4460920.560.801.530.730.991.521.561.68
2^-deoxyuridineME4460750.631.071.090.661.241.671.891.69
3-hydroxylaurateME4461250.860.731.220.761.241.762.001.71
5-methylthioadenosine (MTA)ME4461950.890.670.970.891.271.681.271.49
3-hydroxydecanoateME4461210.860.811.000.891.211.661.701.38
glycylvalineME4464450.790.980.750.920.981.761.671.48
dimethylarginine (SDMA + ADMA)ME4463510.900.631.050.842.101.281.782.05
valineME4468440.711.030.930.722.111.112.061.87
alanineME4462180.780.940.940.811.911.261.851.67
phenylalanineME4467050.760.940.990.831.841.301.871.49
glutamineME4464200.810.861.170.791.721.332.271.31
cholineME4463060.990.691.040.972.301.162.221.05
dihomo-linolenoylcarnitine (20:3n3 or 6)*ME4463460.781.020.820.942.171.172.381.49
1-palmitoyl-GPE (16:0)ME4460440.810.920.801.101.751.221.471.02
glycylleucineME4464440.920.880.631.101.581.361.741.22
leucineME4465060.811.020.900.821.721.341.621.41
citrullineME4463130.751.070.740.941.481.391.621.31
methionineME4465480.800.990.870.851.511.491.821.41
ceramide (d16:1/24:1, d18:1/22:1)*ME4462940.760.750.571.121.501.201.761.80
tyrosineME4468290.740.961.010.851.741.321.351.63
vanillateME4468510.610.870.780.981.641.111.251.77
butyrylglutamine/isobutyrylglutamineME4462750.890.900.611.011.391.341.291.80
lysineME4465320.830.920.860.801.611.531.511.93
gamma-glutamyl-alpha-lysineME4463990.720.820.741.032.371.461.401.68
glutaminylleucineME4464210.800.970.661.051.981.551.071.19
threonylphenylalanineME4468100.850.960.431.011.771.682.371.19
isovalerate (i5:0)ME4464921.191.110.650.621.052.051.981.03
phenylalanylglycineME4467070.740.970.641.021.232.031.890.96
valylglycineME4468480.701.050.571.021.221.842.300.90
gamma-glutamylleucineME4464060.880.950.870.891.271.492.861.33
N-behenoyl-sphingadienine (d18:2/22:0)*ME4466181.050.661.020.991.240.852.741.32
N-formylphenylalanineME4466290.871.030.920.881.370.872.671.04
valerylglycineME4468420.821.060.880.861.260.893.031.04
5-methyluridine (ribothymidine)ME4461960.681.131.190.750.901.192.060.93
4-ureidobutyrateME4461690.811.220.830.850.771.022.440.96
lithocholateME4465280.661.170.801.001.390.802.310.87
isobutyrylglycineME4464870.921.050.830.941.110.882.330.95
vanillinME4468520.810.941.090.861.120.882.350.69
glycylisoleucineME4464430.900.980.721.051.071.311.751.08
N-acetyl-beta-glucosaminylamineME4465860.761.090.720.990.961.491.731.08
2-acetamidobutanoateME4460650.971.060.740.881.061.181.651.40
valerate (5:0)ME4468411.061.020.770.811.091.441.641.36
isovalerylglycineME4464930.971.080.950.960.990.751.730.89
indole-3-carboxylic acidME4464800.971.091.020.890.760.991.811.11
S-1-pyrroline-5-carboxylateME4467551.020.980.850.860.801.171.701.28
3-phenylpropionate (hydrocinnamate)ME4461440.841.020.690.961.181.152.171.56
methionine sulfoxideME4465500.821.090.651.001.141.071.991.32
N-palmitoyl-sphingosine (d18:1/16:0)ME4466530.780.980.671.121.090.932.361.31
tryptophylglycineME4468260.731.030.631.091.081.082.241.04
isoleucylglycineME4464900.731.080.601.001.011.462.441.12
valylleucineME4468490.850.870.571.090.901.622.071.44
N-methylphenylalanineME4466420.451.191.211.021.330.272.240.41
3beta-hydroxy-5-cholestenoateME4461120.401.440.361.481.750.521.860.26
histidylalanineME4464660.601.140.571.161.801.012.090.32
N-acetylmethionineME4466001.300.870.750.742.300.961.671.70
N-acetyltryptophanME4466121.330.780.790.792.521.371.851.08
N-carbamoylalanineME4466191.151.070.731.002.200.812.530.39
leucylglutamine*ME4465080.660.890.641.142.791.301.870.90
N6-acetyllysineME4465740.940.980.840.792.701.032.460.97
deoxycholateME4463320.671.060.781.002.661.072.691.23
linolenoylcarnitine (C18:3)*ME4465160.730.940.921.012.431.152.841.11
4-hydroxybenzoateME4461550.890.871.830.771.960.471.370.95
gamma-glutamylglutamineME4464020.590.511.600.772.330.941.201.29
1-palmitoyl-GPC (16:0)ME4460430.970.721.570.852.900.451.700.82
mevalonateME4465571.450.551.360.822.300.811.441.01
PAHSA (16:0/OH-18:0)ME4466800.890.870.431.461.480.171.130.96
gamma-CEHCME4463971.360.750.880.891.580.811.851.23
pyrralineME4467420.830.861.240.991.900.751.840.85
N-acetylarginineME4465820.931.051.120.821.700.891.820.84
uracilME4468330.781.090.970.961.520.891.760.90
9,10-DiHOMEME4462090.691.030.481.271.631.001.080.89
12,13-DiHOMEME4460050.860.960.471.341.710.631.451.03
alanylleucineME4462191.070.940.551.202.050.621.211.08
8-hydroxyoctanoateME4462080.870.940.931.062.040.720.881.11
methylphosphateME4465540.900.870.871.151.730.751.301.17
palmitoyl dihydrosphingomyelin (d18:0/16:0)*ME4466850.910.731.031.231.840.841.360.81
phenylpyruvateME4467090.710.751.221.342.290.711.700.67
2-hydroxyphenylacetateME4460860.821.020.890.992.260.601.480.72
alpha-methylornithineME4462260.711.160.750.982.320.761.520.90
formiminoglutamateME4463880.861.140.810.922.440.811.551.10
erucate (22:1n9)ME4463750.491.020.371.440.392.411.800.25
solanidineME4467740.741.320.730.790.252.421.070.48
chenodeoxycholateME4463010.40NA0.200.701.022.231.621.99
gamma-glutamyl-epsilon-lysineME4464000.660.901.100.820.912.011.061.86
N6-carboxymethyllysineME4465761.060.880.910.661.012.101.161.94
N-formylmethionineME4466280.920.890.630.771.371.912.101.99
taurineME4467951.090.870.420.911.252.161.441.73
guanosineME4464490.750.761.070.450.523.492.141.70
2^-deoxyguanosineME4460730.720.721.250.480.882.852.002.37
uridineME4468350.630.940.930.601.022.572.132.02
adenosineME4462140.760.890.990.631.013.081.701.32
cytidineME4463231.000.581.570.510.412.931.651.73
3-hydroxyisobutyrateME4461240.840.730.980.550.592.751.331.77
guanineME4464480.840.791.200.710.782.391.811.48
inosineME4464860.920.831.210.590.712.381.871.63
N-acetyl-cadaverineME4465872.610.421.240.450.321.022.311.14
1-stearoyl-GPI (18:0)ME4460532.030.590.930.620.501.792.521.66
7-methylurateME4462051.750.541.120.41NA1.581.981.78
3-methylxanthineME4461431.650.661.630.69NA0.921.780.44
caprate (10:0)ME4462821.430.591.820.590.361.421.880.99
N1-methyladenosineME4460201.130.611.660.730.121.281.991.06
asparagineME4462500.950.841.490.480.491.912.551.53
5-dodecenoate (12:1n7)ME4461900.360.761.460.910.571.702.531.37
myristoleate (14:1n5)ME4465630.370.781.401.010.451.352.601.63
2-hydroxyglutarateME4460810.970.771.221.010.011.592.111.50
3-hydroxyphenylacetateME4461280.691.040.780.77NA2.152.121.34
N-palmitoylserineME4466510.860.960.751.070.191.842.280.78
tridecanedioate (C13-DC)ME4468200.781.310.76NANANANA0.84
sertralineME4467680.561.382.340.47NANANANA
stearidonate (18:4n3)ME4467810.051.572.500.71NA0.03NA0.11
5alpha-pregnan-3(alpha or beta),20beta-diol disulfateME4461830.202.081.560.530.010.160.020.09
caffeic acid sulfateME4462790.131.571.261.05NANANA0.11
4-hydroxychlorothalonilME446157NA0.92NA1.111.28NA0.65NA
2-hydroxyhippurate (salicylurate)ME4460820.530.380.161.990.92NA0.450.07
biochanin AME4462721.11NA0.121.320.57NA1.13NA
3-hydroxyhippurateME4461231.590.051.202.260.040.03NANA
phenylacetylglutamineME4467031.450.080.732.16NA0.200.020.91
(R)-salsolinolME4459870.370.330.942.14NA1.360.150.51
4-methylcatechol sulfateME4461660.360.850.531.83NA1.04NA0.83
N2,N5-diacetylornithineME4465710.700.630.771.780.291.120.370.67
ergosterolME4463730.470.920.471.920.580.350.181.09
diglycerolME4463430.631.070.501.710.400.640.510.60
LAHSA (18:2/OH-18:0)*ME4465020.481.040.411.850.620.330.480.77
OAHSA (18:1/OH-18:0)ME4466620.561.000.561.700.540.330.710.75
m-tyramineME4465600.430.580.652.120.080.130.170.19
deoxycholic acid sulfateME4463330.520.930.372.01NA0.520.000.38
N-acetylserotoninME4466080.531.000.741.75NA0.75NA0.24
bufotenineME446274NA0.38NA2.46NA0.17NA0.89
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol (18:3/16:3)ME4460120.270.32NA2.41NA0.020.190.03
hexanoylglycineME4464620.46NA0.302.11NANA0.73NA
hippurateME4464630.900.050.203.040.180.010.010.01
N-acetylsphingosineME4466090.290.380.223.12NA0.260.380.22
lisinoprilME4465270.001.830.003.17NANANANA
1,2,3-benzenetriol sulfate (1)ME4459910.051.930.022.21NA0.060.51NA
maltitol/lactitol/cellobiotol/palatinolME4465380.032.030.132.19NANANA0.09
saccharinME4467560.291.930.081.870.060.080.150.02
5alpha-pregnan-3beta,20beta-diol monosulfate (1)ME4461870.231.970.381.500.050.580.080.31
enterodiolME4463690.251.760.411.430.310.380.490.13
adenosine-2^,3^-cyclic monophosphateME446215NA1.740.061.40NANANA0.05
hydrochlorothiazideME4464700.101.350.581.62NANANANA
sucraloseME4467900.171.670.371.720.010.240.040.19
5alpha-pregnan-3beta-ol,20-one sulfateME4461880.771.960.740.59NA0.82NA0.83
pregnanolone/allopregnanolone sulfateME4467240.332.260.340.81NA0.36NA0.43
steviolME4467840.441.840.140.940.090.64NA0.81
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)ME4461860.812.090.561.17NA0.16NA0.11
homovanillate sulfateME4464680.292.020.830.790.630.27NA0.13
ciliatine (2-aminoethylphosphonate)ME4463080.850.560.910.930.437.830.30NA
diphenhydramineME4463561.600.710.560.420.039.14NA0.17
ursocholateME4468370.430.420.130.270.267.491.384.18
indolelactateME4464830.780.340.360.452.673.450.465.04
(15:2)-anacardic acidME4459860.080.171.780.33NA5.05NA7.47
maltotrioseME4465420.170.171.180.130.044.40NA5.88
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)ME4460340.190.270.840.1911.160.147.660.05
lactateME4464970.330.361.310.4313.510.800.601.49

Factors:

F1Gender:Female | Timepoint:Baseline | CBT_Responder:No
F2Gender:Female | Timepoint:Baseline | CBT_Responder:Yes
F3Gender:Female | Timepoint:Post_CBT | CBT_Responder:No
F4Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes
F5Gender:Male | Timepoint:Baseline | CBT_Responder:No
F6Gender:Male | Timepoint:Baseline | CBT_Responder:Yes
F7Gender:Male | Timepoint:Post_CBT | CBT_Responder:No
F8Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes
Data matrix
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