Clustering data with hclust algorithm for (Study ST001940)

(Analysis AN003155)
MetaboliteStructureF1F2F3F4F5F6F7F8
cholateME4454310.530.150.090.491.964.826.284.24
12-dehydrocholateME4451340.500.230.130.754.052.955.530.95
spermidineME4459030.750.460.650.492.923.193.152.53
taurocholateME4459250.040.183.190.380.232.755.170.75
13-HODE + 9-HODEME4451350.400.810.990.854.360.409.670.51
phenol sulfateME4458280.250.331.881.240.680.178.390.11
1-stearoyl-GPS (18:0)*ME4451820.970.550.991.010.211.027.401.12
2-oleoylglycerol (18:1)ME4452211.040.600.750.870.860.338.560.73
docosahexaenoate (DHA; 22:6n3)ME4454870.450.970.630.941.510.656.710.82
norvalineME4457770.441.720.430.361.050.516.190.88
1-methyladenineME4451470.770.610.660.932.990.496.690.75
1-oleoylglycerol (18:1)ME4451570.920.530.850.922.140.367.690.74
1,2,3-benzenetriol sulfate (2)ME4451200.056.120.063.510.070.180.190.06
1-linoleoylglycerol (18:2)ME4451440.790.570.890.914.370.276.500.37
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)ME4451700.860.600.790.596.741.585.111.18
uridine-2^,3^-cyclic monophosphateME4459640.560.840.980.905.280.825.150.83
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)ME4451660.760.471.710.406.440.495.550.40
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)ME4451690.970.491.410.546.060.455.350.23
gamma-glutamylalanineME4455260.480.540.621.018.050.682.980.86
sarcosineME4458880.870.550.660.888.270.364.400.70
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*ME4451761.180.581.050.725.650.493.610.24
arginineME4453760.870.291.800.666.480.522.571.04
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*ME4456480.840.441.560.579.660.73NA0.89
agmatineME4453450.620.280.281.017.890.381.031.44
ornithineME4458030.700.680.950.807.700.701.261.05
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*ME4456530.810.611.180.967.770.510.270.46
1-stearoyl-GPC (18:0)ME4451781.150.401.390.738.010.401.420.44
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]ME4457990.790.451.061.158.470.310.900.22
indoleacetylaspartateME4456100.180.190.121.917.010.380.110.40
1-linoleoyl-GPE (18:2)*ME4451461.240.632.400.495.660.340.560.76
choline phosphateME4458400.730.301.231.236.790.260.910.87
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*ME4458010.730.381.041.625.890.310.890.12
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*ME4456521.020.631.171.016.180.360.580.39
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]ME4458000.850.571.221.116.170.490.650.33
2,8-quinolinediolME4451890.571.261.110.633.230.930.351.11
gamma-glutamyltyrosineME4455370.670.890.940.943.331.000.651.97
imidazole lactateME4456040.630.561.340.763.851.080.612.37
guanidinoacetateME4455750.890.251.480.934.370.190.771.97
succinateME4459151.570.571.040.754.570.270.502.62
1-linoleoyl-GPC (18:2)ME4451451.610.501.890.433.950.301.060.94
maltotetraoseME4456691.030.741.990.384.070.52NA1.29
nervonate (24:1n9)*ME4457530.640.850.461.692.760.211.200.05
1-oleoyl-GPC (18:1)ME4451581.160.681.040.885.620.292.240.26
behenate (22:0)*ME4453830.820.850.621.205.070.281.770.19
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*ME4451561.840.611.200.564.700.472.380.25
1-stearoyl-GPE (18:0)ME4451791.330.571.050.944.520.571.440.68
tryptophan betaineME4459531.610.620.570.814.090.531.820.30
1-oleoyl-GPE (18:1)ME4451591.400.620.981.013.480.681.360.63
argininosuccinateME4453771.310.431.110.623.170.411.440.34
1-(1-enyl-oleoyl)-GPE (P-18:1)*ME4451161.300.800.880.953.430.640.790.95
1-(1-enyl-stearoyl)-GPE (P-18:0)*ME4451181.210.521.170.883.820.811.221.39
N-acetylmethionine sulfoxideME4457290.900.810.761.063.490.781.591.09
gamma-glutamylglutamateME4455291.090.750.840.913.591.272.911.29
cytidine 2^,3^-cyclic monophosphateME4454520.960.760.990.813.930.912.351.05
histidineME4455930.690.791.260.733.751.191.961.26
glycerolME4455530.900.681.150.874.280.363.290.67
1-stearoyl-2-oleoyl-GPC (18:0/18:1)ME4451771.080.790.920.894.070.692.460.33
palmitoyl sphingomyelin (d18:1/16:0)ME4458150.690.670.971.283.990.522.280.43
phenylacetylglycineME4458320.32NA1.120.714.77NANA0.39
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*ME4458020.840.501.131.424.650.500.770.21
4-hydroxycinnamateME4452860.390.730.921.774.050.441.470.53
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*ME4458120.470.610.592.074.010.420.640.87
pyridoxine (Vitamin B6)ME4458681.210.840.610.884.121.270.190.66
theanineME4459310.910.830.560.904.841.430.980.41
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*ME4456280.481.180.630.874.560.960.540.80
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME4456290.481.000.690.855.341.130.901.08
5-aminovalerateME4453170.960.460.680.754.811.920.422.88
betaineME4453930.350.432.580.454.070.340.643.05
creatineME4454430.290.082.510.574.190.712.063.27
2,3-dihydroxy-2-methylbutyrateME4451840.870.510.840.240.091.562.014.67
palmitoleate (16:1n7)ME4458100.520.820.570.910.341.163.053.64
phenyllactate (PLA)ME4458360.570.630.590.620.711.494.573.84
allantoinME4453480.140.422.780.321.070.410.853.71
galactonateME4455230.280.192.850.280.331.120.085.78
ribonateME4458790.410.222.710.370.330.650.615.44
phenethylamineME4458270.421.110.330.420.261.560.246.47
apigeninME4453670.860.170.160.241.020.580.295.81
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)ME4451211.080.210.140.920.200.050.395.35
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*ME4451220.770.110.100.970.200.050.156.45
hesperetinME4455830.640.101.080.150.230.630.094.89
N-acetylglucosamine 6-sulfateME4457180.290.311.111.29NA0.18NA5.57
chrysoeriolME4454350.130.07NA0.421.42NA0.144.56
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*ME4451430.800.431.030.351.700.340.485.00
naringeninME4457440.650.331.510.241.800.840.505.84
glycocholenate sulfate*ME4455640.510.074.030.090.261.140.010.80
acetylcarnitine (C2)ME4453390.130.084.200.170.380.900.092.11
arabonate/xylonateME4453700.240.134.830.150.800.280.302.21
laurylcarnitine (C12)ME4456330.470.163.470.190.430.760.722.62
pyroglutamine*ME4458690.590.283.770.330.420.300.712.45
5-(2-Hydroxyethyl)-4-methylthiazoleME4452980.711.023.410.520.300.240.381.83
gluconateME4455430.750.353.860.390.380.680.171.20
sucroseME4459190.460.443.850.470.200.470.141.74
hesperidinME4455840.28NA1.960.03NANANA1.74
2,8-quinolinediol sulfateME445190NANA2.51NA0.800.47NA0.22
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*ME4457980.870.612.451.040.030.050.030.82
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*ME4456500.820.612.681.060.600.110.050.28
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*ME4456510.740.732.780.900.380.180.020.46
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*ME4458180.630.612.740.860.260.240.060.41
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*ME4456451.020.473.420.480.020.020.010.09
thiamin (Vitamin B1)ME4459341.200.882.920.440.060.150.070.52
dopamine 3-O-sulfateME445491NA0.353.690.72NANANA0.17
3-(N-acetyl-L-cystein-S-yl) acetaminophenME4452340.630.133.000.86NA0.11NANA
4-acetaminophen sulfateME4452790.110.023.160.51NANANANA
loperamideME445657NA0.092.36NA0.01NA0.19NA
ranitidineME4458750.210.642.990.12NA0.00NA0.01
2-hydroxyibuprofenME4452110.671.522.880.291.32NA0.470.37
tauroursodeoxycholateME4459290.810.512.910.251.091.731.131.08
glucuronateME4455450.550.373.650.731.050.620.320.87
gamma-glutamylisoleucine*ME4455330.350.393.330.531.280.380.551.57
taurocholenate sulfateME4459260.550.282.800.331.170.810.171.25
2-oxoarginine*ME4452250.400.653.250.541.250.611.120.35
taurochenodeoxycholateME4459240.080.182.890.361.690.860.991.00
4-acetamidophenolME4452771.300.325.710.740.020.25NA0.14
mannitol/sorbitolME4456710.050.066.490.040.050.070.050.09
glycochenodeoxycholateME4455620.040.085.800.180.580.130.140.14
ferulic acid 4-sulfateME445512NA0.265.490.040.060.08NA0.06
glycocholateME4455630.020.055.720.100.010.050.010.05
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*ME4456460.820.444.200.330.010.020.010.14
glycodeoxycholateME4455650.120.165.180.350.630.200.150.13
glycoursodeoxycholateME4455700.050.244.850.270.230.250.110.18
citrateME4454400.360.174.450.270.080.510.080.31
glycolithocholate sulfate*ME4455660.450.155.080.120.050.250.050.31
taurolithocholate 3-sulfateME4459280.640.224.790.270.160.05NA0.19
threonateME4459360.280.214.960.160.430.190.421.23
cystineME4454500.350.205.010.280.430.361.090.38
tartarateME4459220.710.325.420.480.220.560.440.70
4-methylthio-2-oxobutanoateME4452950.530.804.051.380.240.251.580.74
urateME4459620.250.244.710.400.670.212.080.14
N-acetyl-aspartyl-glutamate (NAAG)ME4457132.120.140.120.13NA4.680.090.31
7-ketolithocholateME4453311.750.321.090.411.314.621.240.84
isoursodeoxycholateME4456190.920.790.260.671.474.302.151.20
ursodeoxycholateME4459660.850.600.210.561.074.082.072.09
(15:0)-anacardic acidME445113NA0.711.270.46NA2.51NA0.88
3-hydroxyoctanoateME4452540.530.540.440.460.414.120.761.17
feruloylputrescineME4455130.520.910.600.491.074.370.721.13
adipate (C6-DC)ME4453440.650.980.471.200.033.370.340.61
I-urobilinogenME4456220.740.960.830.650.723.510.171.02
syringic acidME4459210.591.130.470.400.852.800.512.22
5alpha-androstan-3alpha,17beta-diol monosulfate (1)ME4453040.600.640.461.030.372.690.391.53
N-acetyltaurineME4457380.980.880.710.880.093.240.932.01
liquiritigeninME4456540.130.531.200.640.963.440.042.25
succinylcarnitine (C4-DC)ME4459170.480.550.411.120.504.150.122.07
piperineME4458490.240.960.150.810.145.680.900.63
carnosineME4454170.410.400.170.37NA4.791.243.32
2-piperidinoneME4452271.200.660.680.580.265.340.121.95
7-ketodeoxycholateME4453301.180.190.290.230.666.370.602.56
acesulfameME4453380.211.910.141.420.150.061.480.07
N-palmitoyltaurineME4457820.391.470.141.54NA0.592.910.35
N-stearoyltaurineME4457870.431.680.270.98NA0.482.50NA
N-methylhydantoinME4457681.230.710.450.831.330.244.490.88
arachidate (20:0)ME4453710.870.930.951.110.940.274.700.20
eicosenoate (20:1)ME4454960.650.941.010.991.180.784.790.42
valerylphenylalanineME4459710.530.430.500.880.29NA4.97NA
3-hydroxyvalerateME4452610.780.68NA0.54NA0.454.010.40
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)ME4455690.951.460.690.920.160.484.600.24
N-acetylputrescineME4457340.681.090.650.520.271.904.062.42
heptanoate (7:0)ME4455821.090.960.711.040.100.313.362.31
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))ME4456960.690.840.601.010.611.553.431.76
1-palmitoyl-GPI (16:0)ME4451741.590.641.020.660.121.213.191.69
N-propionylmethionineME4457841.340.950.890.650.670.923.212.00
methionine sulfoneME4456770.461.670.520.340.340.623.551.06
alpha-hydroxyisovalerateME4453520.282.160.350.380.720.312.821.87
N-acetylleucineME4457270.581.810.540.541.530.412.970.84
N-acetylisoleucineME4457260.651.780.530.600.980.422.381.42
N-acetylvalineME4457420.951.710.640.560.640.722.270.99
oleanolateME4457930.630.641.591.390.050.253.370.06
N-stearoyl-sphingosine (d18:1/18:0)*ME4457860.731.080.531.070.331.212.781.37
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*ME4454250.900.920.671.110.470.893.201.12
hexadecadienoate (16:2n6)ME4455850.591.260.631.090.370.722.861.01
1-palmitoyl-GPG (16:0)*ME4451730.910.731.570.970.360.682.720.85
margarate (17:0)ME4456730.860.881.251.170.340.353.060.49
linoleate (18:2n6)ME4456420.821.011.011.070.580.562.910.74
nonadecanoate (19:0)ME4457760.721.071.031.170.390.442.820.51
arachidonate (20:4n6)ME4453720.550.980.990.991.021.403.440.66
10-heptadecenoate (17:1n7)ME4451300.470.810.831.380.360.993.890.76
docosapentaenoate (n3 DPA; 22:5n3)ME4454880.440.850.421.500.351.283.500.98
3-methyl-2-oxobutyrateME4452640.820.641.361.581.220.423.830.39
17-methylstearate (i19:0)ME4451390.820.850.941.270.330.363.600.73
8-hydroxyguanineME4453351.160.630.611.220.680.873.770.78
trans-nonadecenoate (tr 19:1)*ME4459431.270.750.711.090.850.434.020.61
putrescineME4458641.300.961.080.190.440.865.152.05
hyocholateME4456010.960.740.720.981.191.594.711.29
O-sulfo-L-tyrosineME4458060.940.971.060.331.542.145.041.45
valylglutamineME4459750.710.810.690.971.472.992.280.58
indolepropionateME4456120.720.820.870.842.552.033.160.85
phenylalanylalanineME4458341.110.760.610.841.692.203.080.80
N-methyl-GABAME4457660.720.520.720.780.733.684.261.03
dihomo-linoleate (20:2n6)ME4454720.390.990.621.040.702.344.400.47
3-dehydrocholateME4452441.310.450.240.410.502.402.890.94
anserineME4453651.350.960.290.790.382.173.550.67
2-palmitoylglycerol (16:0)ME4452260.670.940.660.780.322.473.010.67
3-methylhistidineME4452690.780.810.131.230.352.563.350.64
glycyrrhetinateME4455740.320.08NANA2.35NA3.55NA
2-hydroxydecanoateME4452080.561.050.750.762.861.343.361.04
N6-formyllysineME4457050.590.821.000.753.321.254.001.05
ceramide (d18:2/24:1, d18:1/24:2)*ME4454260.920.780.620.981.990.754.051.15
2-linoleoylglycerol (18:2)ME4452170.690.961.010.992.100.323.970.51
N-acetylphenylalanineME4457320.991.070.820.722.590.403.640.93
dehydrolithocholateME4454570.940.600.671.293.160.795.020.98
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*ME4451230.760.681.000.583.880.554.491.72
gamma-glutamylhistidineME4455320.650.991.170.483.870.664.431.29
creatinineME4454441.710.201.040.901.750.294.111.94
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)ME4451671.510.520.890.671.761.512.782.05
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)*ME4451420.870.621.150.552.470.483.292.73
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*ME4451640.780.850.870.872.370.622.472.08
gamma-glutamylphenylalanineME4455360.530.850.910.912.720.643.082.20
S-carboxymethyl-L-cysteineME4458890.470.531.340.471.951.104.003.46
argininate*ME4453750.620.680.810.663.101.054.372.50
salicylateME4458861.220.640.630.602.341.274.262.17
alpha-hydroxyisocaproateME4453510.093.340.100.230.670.080.802.46
chiro-inositolME4454300.462.170.920.170.790.190.102.30
fucitolME4455180.783.961.720.570.800.480.411.22
2-hydroxy-3-methylvalerateME4452040.242.980.180.380.510.191.711.35
3-(3-hydroxyphenyl)propionate sulfateME4452300.473.170.430.57NA0.321.180.18
eicosapentaenoate (EPA; 20:5n3)ME4454950.202.690.330.290.210.451.610.41
N(1)-acetylspermineME4456940.784.270.411.74NA0.280.610.31
4-acetamidobenzoateME4452750.383.390.280.290.240.170.110.27
secoisolariciresinolME4458910.083.260.551.23NA0.11NA0.55
alpha-tocopherol acetateME4453563.360.012.250.05NA0.030.000.00
2^-deoxyadenosineME4451982.910.580.750.461.041.291.060.83
5-hydroxylysineME4453214.370.440.440.790.410.581.071.03
6-hydroxynicotinateME4453263.500.310.450.630.320.860.410.91
butyrylglycineME4454043.090.44NA1.101.00NANA1.16
3-indoxyl sulfateME4452622.62NA0.421.15NA0.100.050.03
N-(2-furoyl)glycineME4456953.680.080.131.070.070.060.060.06
androstenediol (3beta,17beta) monosulfate (2)ME4453633.171.280.290.53NANANA0.08
1-methyl-beta-carboline-3-carboxylic acidME4451492.380.960.491.420.050.040.090.05
androstenediol (3alpha, 17alpha) monosulfate (2)ME4453592.201.380.521.03NA0.260.120.22
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*ME4451240.780.711.140.562.170.591.113.43
2-hydroxybutyrate/2-hydroxyisobutyrateME4452070.790.670.890.681.841.131.923.63
4-ethylphenylsulfateME445281NA0.88NA0.410.581.12NA2.00
glyciteinME4455610.120.52NANA0.801.00NA1.87
dexlansoprazoleME445463NA0.08NA0.34NA2.21NA2.28
metoprolol acid metabolite*ME4456840.530.240.500.32NA2.26NA2.15
1-(1-enyl-palmitoyl)-GPE (P-16:0)*ME4451171.330.471.220.691.691.520.452.85
genisteinME4455400.970.211.330.471.001.500.243.38
tyramineME4459551.231.100.790.520.911.380.122.69
21-hydroxypregnenolone disulfateME4451920.690.570.600.680.811.88NA3.18
androstenediol (3beta,17beta) disulfate (1)ME4453601.050.710.520.730.402.090.392.67
stachydrineME4459070.701.010.530.680.331.190.904.52
1-palmitoyl-GPS (16:0)*ME4451751.050.370.441.01NA1.320.633.78
3-(4-hydroxyphenyl)lactateME4452311.160.620.770.870.380.790.853.99
xyloseME4459840.980.801.150.770.580.850.553.82
gamma-glutamylglycineME4455311.290.251.190.740.59NA0.283.38
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)*ME4451650.790.850.711.000.710.760.902.91
dihydroferulic acidME4454770.830.870.781.030.530.710.643.06
furaneol sulfateME4455210.451.010.880.970.271.11NA2.82
thioprolineME4459350.631.060.541.110.910.61NA2.77
2-aminophenol sulfateME4451971.070.510.861.29NA0.850.142.94
11-ketoetiocholanolone sulfateME4451321.170.511.670.690.291.070.323.08
2-keto-3-deoxy-gluconateME4452161.130.601.410.820.401.110.602.65
daidzeinME4454540.670.520.920.681.042.980.204.25
2-(4-hydroxyphenyl)propionateME4451830.311.250.240.36NA2.09NA3.48
tryptamineME4459511.350.800.270.46NA1.71NA3.59
vanillactateME4459780.910.720.600.56NA2.07NA4.13
1,2-dipalmitoyl-GPC (16:0/16:0)ME4451260.750.472.670.512.690.871.720.56
cadaverineME4454053.260.271.890.190.500.322.040.47
3-(4-hydroxyphenyl)propionateME4452322.330.391.390.562.400.481.940.64
N1,N12-diacetylspermineME4456971.880.451.440.771.370.642.010.97
eriodictyolME4455020.940.42NANA0.332.37NANA
oleoylcholineME4457971.82NANA0.600.971.430.18NA
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3)ME4451631.240.320.370.920.520.162.073.59
caproate (6:0)ME4454110.600.660.481.470.470.672.112.70
phytanateME4458430.320.740.541.950.220.231.671.67
pristanateME4458550.600.990.381.260.370.322.261.72
ponciretinME4458501.500.091.350.160.252.210.521.49
2^-deoxycytidineME4452001.400.521.700.500.502.220.921.83
4-acetamidobutanoateME4452761.390.561.800.600.472.000.661.35
nicotinate ribonucleosideME4457631.030.691.490.690.801.810.202.16
prolylglycineME4458571.030.701.850.590.821.371.072.11
piperidineME4458481.710.831.510.570.110.640.161.98
epicatechinME4455002.160.410.840.30NA1.100.322.19
nicotianamineME4457591.940.591.240.560.691.200.342.60
3-methylglutaconateME4452671.67NA1.270.45NA1.26NA0.89
2-methylcitrate/homocitrateME4452191.090.831.250.860.121.770.171.26
alpha-CEHC sulfateME4453500.730.661.150.99NA1.47NA1.26
2-aminophenolME4451961.300.621.121.040.241.270.321.91
N-acetylaspartate (NAA)ME4457121.430.751.050.920.011.390.021.53
xanthurenateME4459831.850.860.860.940.161.27NA1.62
thymidine 5^-monophosphateME4459422.020.840.931.112.070.160.960.27
2^-deoxyadenosine 5^-monophosphateME4451991.320.790.911.471.910.140.580.21
2^-deoxycytidine 5^-monophosphateME4454551.210.830.861.432.250.150.800.37
1,2-dilinoleoyl-GPC (18:2/18:2)ME4451251.590.691.740.741.950.270.960.32
4-hydroxycyclohexylcarboxylic acidME4452870.751.331.450.722.070.470.790.27
3b-hydroxy-5-cholenoic acidME4452410.981.460.570.931.540.470.900.54
N-acetyl-1-methylhistidine*ME4457070.941.420.411.051.460.840.310.55
3,4-dihydroxyphenylacetateME4452360.881.071.121.201.490.53NA0.23
ibuprofenME4456030.651.291.101.071.80NA0.320.12
adenosine 5^-monophosphate (AMP)ME4453580.691.020.841.471.370.440.760.46
phosphateME4458391.010.900.951.550.870.430.290.20
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*ME4458191.120.641.331.162.360.830.760.45
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*ME4458210.870.541.071.461.861.320.550.62
tyrosolME4459580.900.730.591.452.210.990.940.49
glucoseME4455440.720.821.520.811.461.790.491.25
dihydrocaffeateME4454761.000.981.001.001.781.360.590.58
isocaproate (i6:0)ME4456160.920.940.910.881.501.840.800.64
bilirubin (Z,Z)ME4453961.200.970.711.131.201.110.041.04
biliverdinME4453991.330.970.970.931.121.080.130.75
kynurenineME4456241.430.891.040.761.550.890.911.25
N1-Methyl-2-pyridone-5-carboxamideME4456981.690.920.910.851.560.921.070.91
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*ME4458201.090.731.381.091.540.950.440.70
glycerol 3-phosphateME4455541.210.861.031.231.560.450.430.52
N-delta-acetylornithineME4457511.330.971.000.991.480.530.910.59
2-isopropylmalateME4452151.280.222.850.470.341.590.421.66
lactobionateME4456261.110.612.240.550.280.930.241.70
carnitineME4454160.650.652.640.750.350.950.661.03
fructoseME4455170.610.542.920.500.511.020.541.75
N-acetylthreonineME4457390.330.991.750.830.581.140.761.39
glutarate (C5-DC)ME4455510.631.022.050.810.091.250.390.83
maltoseME4456681.000.731.990.790.581.620.320.63
myristoylcarnitine (C14)ME4456921.161.031.720.420.471.360.320.92
4-hydroxyhippurateME4452891.060.121.951.360.590.37NA1.65
cinnamateME4454371.330.491.641.970.520.640.361.04
15-methylpalmitate (i17:0)ME4451371.330.861.511.010.360.271.520.50
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*ME4455670.921.051.851.00NA0.331.600.29
2-hydroxybehenateME4452060.991.141.081.220.490.270.850.27
N-methylpipecolateME4457711.350.961.131.120.420.350.750.52
N-acetylpyrralineME4457350.921.161.641.230.340.490.400.16
trigonelline (N^-methylnicotinate)ME4459490.910.831.691.220.430.261.010.28
taurodeoxycholateME4459270.350.801.621.21NA0.06NA0.75
catechol sulfateME4454210.551.051.831.37NA0.360.220.23
serotoninME4458950.400.672.081.410.080.570.090.26
galacturonateME4455241.350.522.260.930.090.470.430.70
oxalate (ethanedioate)ME4458071.320.812.380.620.140.790.310.38
p-cresolME4458251.420.901.910.750.500.800.400.68
2,3-dihydroxyisovalerateME4451851.270.631.990.920.750.540.530.61
2-oxo-1-pyrrolidinepropionateME4452241.210.841.800.970.590.650.630.44
1-linolenoylglycerol (18:3)ME4451411.370.781.750.990.180.240.710.63
laurate (12:0)ME4456321.770.741.860.670.120.570.630.59
dihydoxyphenylalanine (L-DOPA)ME4454750.930.902.090.970.170.540.330.87
13-HOTrEME4451360.991.121.940.78NA0.230.540.62
linolenate [alpha or gamma; (18:3n3 or 6)]ME4456430.820.951.861.080.060.230.390.71
2-oxindole-3-acetateME4452231.421.151.730.650.070.400.031.05
indoleME4456061.161.151.810.71NA0.65NA0.36
carboxyibuprofenME4454150.860.911.981.160.87NA0.160.30
arabitol/xylitolME4453690.660.412.291.010.880.400.431.33
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*ME4454670.750.631.871.300.770.550.410.74
erythroseME4455060.800.752.120.960.710.500.371.03
diacetylchitobioseME4454660.290.940.281.45NANANA2.26
diosmetinME4454820.34NANA1.490.400.140.122.08
S-allylcysteineME445887NA0.600.261.20NA0.92NA1.61
protoporphyrin IXME4458600.980.830.521.560.030.650.111.37
2,4-dihydroxyhydrocinnamateME4451881.320.750.571.18NA0.58NA1.99
orotateME4458041.240.920.651.230.190.650.301.69
L-urobilinME4456590.661.060.781.14NA0.790.022.04
N-methylprolineME4457720.661.030.431.540.330.680.291.75
N-stearoyl-sphinganine (d18:0/18:0)*ME4457850.541.150.451.400.221.050.501.63
3-hydroxypyridineME4452571.360.780.721.310.860.571.940.53
3-methyl-2-oxovalerateME4452650.800.691.391.600.400.511.730.55
4-hydroxyphenylpyruvateME4452910.730.831.071.410.870.722.140.82
stearate (18:0)ME4459080.781.061.041.180.500.512.260.49
1-methylurateME4451541.020.940.611.410.140.702.030.55
3-hydroxypalmitateME4452550.701.400.421.400.011.011.990.23
5-acetylamino-6-formylamino-3-methyluracilME4453001.221.420.601.110.120.221.290.47
hexadecatrienoate (16:3n3)ME4455890.911.380.291.210.260.391.680.52
2-hydroxypalmitateME4452131.061.131.061.150.570.181.700.37
docosadienoate (22:2n6)ME4454860.991.281.001.050.320.271.780.24
2-hydroxylaurateME4452120.991.101.031.050.580.511.490.71
6-oxolithocholateME4453270.721.231.011.100.470.551.500.60
1-methylxanthineME4451550.971.240.701.130.160.741.590.92
N-trimethyl 5-aminovalerateME4457880.891.170.691.150.520.731.660.76
S-methylcysteineME4459000.601.221.480.700.810.561.691.21
myristate (14:0)ME4456900.870.751.561.060.370.551.751.19
N-acetylglucosaminylasparagineME4457200.740.791.321.050.900.871.841.36
N-acetylneuraminateME4457310.820.841.251.080.680.542.201.17
7-methylxanthineME4453341.540.581.120.91NA0.861.611.10
1-stearoyl-GPG (18:0)ME4451801.050.910.901.030.250.911.801.13
N-propionylalanineME4457831.241.120.610.880.521.131.781.10
glutamyl-meso-diaminopimelateME4455500.851.190.741.88NA0.651.010.85
margaroylcarnitine (C17)*ME4456740.601.000.561.610.231.021.350.96
1,7-dimethylurateME4451290.931.170.461.220.090.731.381.18
N-formylanthranilic acidME4457551.071.040.651.270.210.720.970.92
N-acetyl-3-methylhistidine*ME4457081.600.900.271.190.231.181.070.58
linoleoyl ethanolamideME4456471.440.750.801.490.030.840.790.36
mevalonate 5-diphosphateME4456861.201.020.981.27NA0.521.090.47
methyl indole-3-acetateME4456800.641.081.671.21NA0.66NA1.44
beta-cryptoxanthinME4453900.571.591.010.830.100.540.161.43
hydroxymethylpyrimidineME4455990.711.590.970.810.460.290.651.18
5alpha-androstan-3beta,17alpha-diol monosulfate (2)ME4453071.501.370.391.03NA0.37NA1.10
5-hydroxyhexanoateME4453201.121.051.450.920.140.370.731.27
2,3-dimethylsuccinateME4451861.101.031.220.95NA0.520.610.82
dopamineME4454901.061.041.431.010.240.610.550.52
1,3-dimethylurateME4451280.811.260.981.06NA0.470.900.85
quinateME4458720.941.091.181.000.100.730.901.08
2-aminoadipateME4451941.041.110.751.110.261.150.530.89
N-acetylglutamateME4457211.141.120.940.960.251.150.310.98
lanosterolME4456310.931.121.021.060.370.920.670.87
behenoylcarnitine (C22)*ME4453851.121.071.031.020.401.160.440.67
oleoyl ethanolamideME4457951.011.220.971.040.330.950.480.57
palmitoyl ethanolamideME4458140.961.170.981.080.311.000.340.71
16a-hydroxy DHEA 3-sulfateME4451381.131.310.741.02NA0.980.200.85
3-methylglutarate/2-methylglutarateME4452681.061.091.081.010.050.920.270.85
tricarballylateME4459471.001.250.951.060.160.950.060.66
4-hydroxybenzyl alcoholME4452841.160.900.781.01NA1.26NA0.90
methylsuccinateME4456831.211.151.040.920.041.220.070.75
3,5-dihydroxybenzoic acidME4452371.450.801.081.090.560.94NA0.93
dimethylmalonic acidME4454811.080.951.110.95NA0.92NA1.04
fumarateME4455201.220.911.230.890.101.010.091.23
pimelate (C7-DC)ME4458461.290.831.081.030.311.070.490.95
alpha-tocopherolME4453551.460.971.230.890.220.860.430.74
N-carbamoylglutamateME4457491.360.711.151.01NA0.940.270.81
undecanedioate (C11-DC)ME4459601.161.330.780.840.180.930.271.21
4-hydroxyglutamateME4452881.450.890.910.89NA1.030.431.24
maltolME4456671.190.970.890.94NA0.920.471.47
homocitrullineME4455951.241.040.950.950.250.990.431.48
pyridoxateME4458671.190.991.090.870.301.140.391.45
hexadecanedioate (C16-DC)ME4455860.801.170.691.050.331.360.271.46
3-hydroxysuberateME4452600.940.950.841.07NA1.310.521.26
hydantoin-5-propionic acidME4455970.810.910.871.230.311.220.721.11
1-methylimidazoleacetateME4451521.400.970.691.140.380.820.571.03
carotene diol (1)ME4454181.181.280.621.050.270.490.501.15
glutamate, gamma-methyl esterME4455471.070.911.121.030.630.900.551.31
quinolinateME4458741.050.871.071.130.410.840.311.33
nicotinamideME4457600.741.160.981.160.440.580.631.17
suberate (C8-DC)ME4459140.981.080.931.150.320.640.291.24
caffeineME4454080.660.971.021.330.080.890.521.50
N-acetylcysteineME4457170.920.901.051.29NA0.660.291.01
theophyllineME4459330.790.990.861.32NA0.740.560.96
3-aminoisobutyrateME4452391.580.990.901.170.520.560.490.50
4-cholesten-3-oneME4452801.370.980.841.270.230.630.240.48
dipicolinateME4454851.381.181.060.93NA0.380.120.47
octadecanedioate (C18-DC)ME4457911.341.131.080.890.330.32NA0.58
azelate (C9-DC)ME4453811.211.051.141.070.250.560.260.79
sebacate (C10-DC)ME4458901.191.041.091.040.230.610.350.66
carotene diol (2)ME4454191.191.230.891.010.320.480.370.88
carotene diol (3)ME4454201.171.280.841.050.150.480.220.84
beta-muricholateME4453941.141.130.971.130.150.480.050.56
indolin-2-oneME4456131.151.240.901.060.300.350.130.70
3-methyladipateME4452661.291.250.611.05NA0.460.070.50
5alpha-androstan-3beta,17beta-diol monosulfate (1)ME4453091.081.140.601.06NA0.61NA1.06
flavin mononucleotide (FMN)ME4455151.230.980.761.08NA0.61NA0.82
5-hydroxymethylfurfuralME4453220.941.580.880.81NA0.310.480.78
sitostanolME4458980.841.470.700.93NA0.590.130.96
xanthosineME4459820.711.230.991.230.250.630.520.47
delta-tocopherolME4454580.771.270.931.150.170.810.450.72
gamma-tocopherol/beta-tocopherolME4455380.831.290.911.150.200.650.490.67
5-acetylamino-6-amino-3-methyluracilME4452990.881.220.721.31NA0.220.430.45
palmitoylcholineME4458170.731.211.011.190.110.370.270.51
coprostanolME4454420.721.600.870.96NA0.510.110.47
3-carboxyadipateME4452430.981.301.181.080.050.320.070.30
4-oxo-retinoic acidME4452960.881.181.130.94NA0.45NA0.59
5alpha-androstan-3beta,17alpha-diol monosulfate (1)ME4453060.861.301.260.94NA0.45NA0.67
guanosine-2^,3^-cyclic monophosphateME4455780.941.380.580.86NANA0.380.40
dihydroorotateME4454781.111.130.441.520.120.220.330.46
paraxanthineME4458240.971.040.481.31NA0.500.540.73
epiandrosterone sulfateME4454991.071.650.371.100.641.021.070.76
pterinME4458631.051.250.581.180.720.510.210.54
3,4-dihydroxybenzoateME4452350.921.620.780.850.510.420.890.55
biotinME4454010.921.310.641.140.560.450.840.52
1-methylguanidineME4451500.971.330.561.220.280.640.590.60
stearoyl ethanolamideME4459100.861.230.641.270.500.760.720.65
enterolactoneME4454980.411.410.791.380.090.860.160.41
anthranilateME4453660.591.100.961.07NA0.81NANA
caffeateME4454060.731.471.150.810.191.01NA0.21
3-hydroxycinnamateME4452480.831.26NA1.16NA0.850.320.77
cholate sulfateME4454321.311.590.471.200.050.860.390.37
p-cresol sulfateME4458261.041.080.571.400.101.260.200.27
5alpha-androstan-3beta,17alpha-diol disulfateME4453051.281.040.351.39NA1.00NA0.63
ursodeoxycholate sulfate (1)ME4459671.031.120.491.38NA1.030.060.48
S-methylmethionineME4459010.691.421.280.681.211.240.550.22
palmitoleoylcarnitine (C16:1)*ME4458110.471.481.230.790.450.850.510.75
linoleoylcarnitine (C18:2)*ME4456490.931.201.440.770.930.720.740.97
valine betaineME4459730.861.091.441.000.630.960.390.66
3-sulfo-L-alanineME4452730.581.060.741.120.381.171.601.56
ceramide (d18:1/14:0, d16:1/16:0)*ME4454230.530.980.721.230.981.051.571.59
cis-4-hydroxycyclohexylacetic acidME4454380.651.160.791.051.041.121.061.50
kynurenateME4456230.691.030.930.991.151.171.321.63
ceramide (d18:1/17:0, d17:1/18:0)*ME4454240.741.070.621.180.790.841.581.17
leucylglycineME4456370.881.060.441.320.840.751.181.25
N-palmitoyl-sphinganine (d18:0/16:0)ME4457800.751.100.581.250.721.020.891.30
O-acetylhomoserineME4457891.101.330.830.750.830.941.200.87
7-ketocholesterolME4453291.081.060.711.190.710.721.140.78
leucylalanineME4456351.030.970.711.180.840.811.370.98
dimethylglycineME4454801.370.900.901.010.920.741.290.88
beta-sitosterolME4453951.340.930.871.040.680.861.200.81
campesterolME4454091.201.010.791.070.570.881.390.82
N-acetylcitrullineME4457161.330.940.970.960.691.180.870.81
stigmasterolME4459131.310.980.871.090.640.880.820.64
beta-guanidinopropanoateME4453911.361.190.720.870.640.840.990.89
ursodeoxycholate sulfate (2)ME4459681.460.990.960.830.450.891.170.90
N-methylglutamateME4457671.280.831.011.170.780.670.680.85
sedoheptuloseME4458931.350.881.100.971.010.680.691.19
alpha-tocotrienolME4453571.191.201.010.890.370.670.660.94
gamma-tocotrienolME4455391.141.240.870.930.500.710.830.84
pipecolateME4458471.131.120.711.100.740.810.730.87
cerotoylcarnitine (C26)*ME4454271.001.130.851.120.560.680.750.97
maleateME4456631.081.121.011.000.710.570.640.94
thymineME4459400.671.241.121.010.660.690.890.90
palmitate (16:0)ME4458090.851.031.061.170.740.641.120.74
cholesterolME4454331.000.980.981.250.500.680.900.63
oleate/vaccenate (18:1)ME4457940.811.021.011.260.660.730.850.65
arachidoyl ethanolamide (20:0)*ME4453730.861.100.931.240.790.620.880.56
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME4455680.901.011.021.250.760.690.890.56
lignoceroylcarnitine (C24)*ME4456401.081.090.891.041.020.740.900.80
behenoyl ethanolamide (22:0)*ME4453841.051.030.931.230.900.470.870.60
lignoceroyl ethanolamide (24:0)*ME4456391.101.020.911.150.850.570.970.72
4-methyl-2-oxopentanoateME4452930.730.901.151.450.440.811.010.76
alpha-ketoglutarateME4453531.020.761.191.230.480.921.180.76
N-methylleucineME4457690.970.741.171.310.350.751.090.86
ferulateME4455110.660.940.941.340.450.851.051.19
N-acetylhistamineME4457240.960.990.951.090.350.981.281.07
N-palmitoylglycineME4457780.921.000.941.190.771.191.200.45
oleoylcarnitine (C18:1)ME4457960.751.240.781.190.631.111.010.79
stearoylcarnitine (C18)ME4459110.871.010.681.260.381.241.070.95
glycerophosphoglycerolME4455560.870.941.001.021.251.060.701.44
N-acetylglutamineME4457220.821.070.830.961.141.460.891.30
N-acetylhistidineME4457250.990.981.000.941.211.260.711.17
aspartateME4453790.840.941.160.921.011.320.921.31
palmitoylcarnitine (C16)ME4458160.830.881.141.021.081.390.681.20
levulinate (4-oxovalerate)ME4456380.840.930.981.010.851.391.291.33
riboflavin (Vitamin B2)ME4458781.001.080.820.900.901.251.031.31
nicotinateME4457621.030.950.870.991.141.221.081.18
pantothenateME4458231.050.990.860.941.061.141.151.32
N6-methyladenosineME4457060.591.090.871.021.131.291.341.15
pyridoxamineME4458660.911.040.820.921.401.421.151.11
10-hydroxystearateME4451310.681.030.861.301.030.811.170.78
benzoateME4453860.760.970.791.221.071.050.911.04
N-acetylmuramateME4457300.921.041.031.001.400.820.940.95
N-alpha-acetylornithineME4457430.801.171.121.011.120.730.730.72
cis-urocanateME4454390.840.971.330.921.061.131.090.88
5-oxoprolineME4453250.791.061.370.921.040.761.110.88
N-acetylglycineME4457230.891.051.340.940.850.651.140.74
fucoseME4455190.930.831.021.131.130.901.091.30
N-acetylglucosamine/N-acetylgalactosamineME4457190.860.841.251.111.060.791.021.11
N-acetylasparagineME4457110.920.971.160.950.971.021.231.06
N-methylalanineME4457650.991.051.020.990.920.901.220.85
pseudouridineME4458620.951.051.120.960.900.831.130.94
6-oxopiperidine-2-carboxylateME4453280.991.131.000.841.140.881.151.07
2^-O-methyluridineME4452220.761.130.930.971.020.941.151.11
xanthineME4459810.721.141.000.991.030.941.171.08
hypoxanthineME4456020.881.091.020.961.040.970.901.09
N-acetylalanineME4457090.791.111.060.990.860.851.011.16
glycerophosphoinositol*ME4455570.950.531.001.421.170.971.141.22
acisogaME4453401.300.741.100.981.011.071.300.99
mevalonolactoneME4456871.400.681.300.870.921.081.260.97
cysteineME4454460.990.781.500.820.381.220.741.82
D-urobilinME4454921.130.940.910.840.571.400.491.91
malateME4456621.070.860.990.940.351.360.811.82
cytosineME4454531.200.700.990.940.831.570.581.81
gentisateME4455411.360.771.170.600.871.510.781.82
methyl glucopyranoside (alpha + beta)ME4456790.930.831.221.210.800.990.690.85
nicotinamide ribosideME4457610.890.991.001.080.851.120.531.17
glutamateME4455460.920.961.110.970.541.310.751.29
malonylcarnitineME4456651.101.021.210.830.411.120.711.25
pyridoxalME4458651.160.931.020.870.691.230.651.56
succinimideME4459160.981.021.010.910.861.030.851.48
bilirubin (E,Z or Z,E)*ME4453980.770.821.390.870.781.350.291.42
beta-hydroxyisovalerateME4453921.220.901.220.720.651.610.641.33
deoxycarnitineME4454591.160.771.190.901.071.560.631.15
histamineME4455921.190.901.261.010.231.021.160.60
3-(3-hydroxyphenyl)propionateME4452291.381.030.850.890.041.260.960.73
3-hydroxysebacateME4452591.351.000.961.010.100.960.800.57
nervonoylcarnitine (C24:1)*ME4457541.190.941.271.010.171.310.520.68
erucoylcarnitine (C22:1)*ME4455040.930.991.071.010.171.450.970.74
3,7-dimethylurateME4452381.171.000.821.040.071.370.780.79
arachidoylcarnitine (C20)*ME4453741.071.020.941.050.201.480.720.76
phenylacetateME4458291.091.200.670.830.491.641.120.92
trans-urocanateME4459441.011.110.810.900.711.381.141.09
4-imidazoleacetateME4452921.201.030.670.940.401.580.561.31
5alpha-androstan-3beta,17beta-diol disulfateME4453081.311.160.680.830.671.270.781.17
N-carbamoylaspartateME4457481.290.870.940.950.091.351.351.04
cysteine s-sulfateME4454470.900.931.140.890.441.341.311.48
pyruvateME4458711.090.811.400.890.291.470.921.05
tetrahydrocortisoneME4459301.310.711.150.900.451.380.961.32
allo-threonineME4453491.880.960.690.980.920.410.571.28
adenineME4453412.110.790.680.821.141.190.670.68
methylmalonate (MMA)ME4456812.000.820.910.830.111.320.660.93
picolinateME4458451.570.850.920.83NA1.410.701.14
N2-acetyllysineME4457001.730.820.670.800.861.660.621.28
beta-alanineME4453891.831.040.640.760.660.990.671.04
3-(2-hydroxyphenyl)propionateME4452281.711.110.520.880.691.490.860.69
sulfate*ME4459201.541.040.830.910.411.290.440.72
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)ME4452420.561.690.300.881.070.48NA1.35
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*ME4456270.681.370.381.040.901.200.451.39
N6-carboxyethyllysineME4457030.651.440.641.091.380.980.571.17
bilirubin (E,E)*ME4453970.861.030.661.120.851.76NA0.82
hemeME4455801.201.010.661.080.191.630.150.98
pregnen-diol disulfate C21H34O8S2*ME4458530.831.540.580.910.461.510.500.80
pregn steroid monosulfate C21H34O5S*ME4458510.571.340.401.240.492.220.520.93
androstenediol (3beta,17beta) monosulfate (1)ME4453620.541.500.271.420.111.920.181.17
pregnenolone sulfateME4458540.671.610.351.300.181.630.440.93
5alpha-androstan-3alpha,17alpha-diol monosulfateME4453020.590.880.381.330.521.690.591.39
5alpha-androstan-3beta,17beta-diol monosulfate (2)ME4453100.570.940.411.280.721.730.481.04
5alpha-androstan-3alpha,17alpha-diol disulfateME4453010.681.100.481.110.711.690.900.98
androsterone sulfateME4453640.981.060.301.290.851.680.931.08
androstenediol (3beta,17beta) disulfate (2)ME4453610.780.990.461.130.451.790.581.87
sphinganineME4459050.631.080.501.180.481.630.601.87
carboxyethyl-GABAME4454140.720.990.761.180.681.410.711.41
hexadecasphinganine (d16:0)*ME4455870.601.100.601.160.531.670.721.54
dehydroisoandrosterone sulfate (DHEA-S)ME4454560.761.210.380.960.731.820.931.94
sphingosineME4459060.471.060.571.090.441.831.022.17
hexadecasphingosine (d16:1)*ME4455880.330.791.071.300.431.550.761.40
phytosphingosineME4458440.810.791.011.030.652.041.111.30
7-methylguanineME4453320.730.921.020.930.461.920.821.66
sphingadienineME4459040.500.860.901.190.172.010.681.62
3-hydroxyhexanoateME4452500.731.240.490.83NA1.431.022.20
orotidineME4458050.700.790.461.530.121.560.451.93
3-ketosphinganineME4452630.471.060.481.220.301.450.172.56
heptadecasphingosine (d17:1)ME4455810.371.120.421.400.291.230.332.07
riboseME4458800.541.090.701.201.051.460.582.24
3-ureidopropionateME4452741.161.150.590.890.601.140.102.04
eicosanoylsphingosine (d20:1)*ME4454940.800.990.870.940.551.400.252.25
pantetheineME4458220.780.840.751.020.391.590.301.97
harmaneME4455792.261.120.880.60NA0.911.550.75
N-methyltryptophanME4457742.170.890.400.79NANA1.240.54
3-hydroxy-2-ethylpropionateME4452451.611.56NA0.790.87NA0.960.67
pheophorbide AME4458381.291.770.240.640.080.581.280.90
1-methylhistamineME4451511.360.621.18NANANA0.50NA
phenylacetylglutamateME4458302.140.821.580.70NANA0.94NA
1-oleoyl-GPI (18:1)*ME4451611.830.410.831.01NA0.58NA0.44
saccharopineME4458852.220.501.220.930.220.350.150.76
digalacturonic acidME4454702.230.770.970.68NA0.500.091.10
ethylmalonateME4455081.820.801.160.830.050.810.251.03
1-methylnicotinamideME4451531.910.691.530.780.520.770.300.49
mannoseME4456721.690.821.280.960.620.700.960.62
deoxymugineic acidME4454621.671.261.210.710.630.480.510.48
tyramine O-sulfateME4459561.861.200.790.790.700.200.560.16
dodecanedioate (C12-DC)ME4454892.261.110.820.580.240.670.340.74
N-carbamoylsarcosineME4457502.251.170.550.900.460.410.570.47
5alpha-pregnan-3beta,20alpha-diol disulfateME4453121.421.621.250.620.090.310.100.22
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)ME4453131.871.121.140.53NA0.18NA0.29
escitalopramME4455071.510.561.150.78NANANANA
nicotinic acid mononucleotide (NaMN)ME4457641.890.541.471.540.110.06NA0.11
tiglylcarnitine (C5:1-DC)ME4459411.570.352.270.46NA0.10NA0.47
1,3,7-trimethylurateME4451272.410.631.900.710.010.150.190.16
skatolME4458992.330.372.530.47NANANANA
caprylate (8:0)ME4454122.400.472.280.33NA0.780.580.25
3-methylurate*ME4452701.700.542.030.68NA1.100.480.30
theobromineME4459321.910.722.010.570.101.201.100.44
N-glycolylneuraminateME4457582.810.601.430.260.200.780.310.99
N-methyltaurineME4457732.631.111.720.49NA0.83NA0.77
4-hydroxyphenylacetateME4452902.660.881.140.510.631.110.610.49
indoleacetateME4456092.470.611.610.500.430.590.790.61
glycerophosphoserine*ME4455590.710.561.150.712.451.311.462.43
tryptophanME4459520.880.781.200.731.801.421.222.05
erythronate*ME4455050.800.761.620.701.510.821.671.98
myo-inositolME4456891.030.651.530.621.740.700.912.40
ribitolME4458770.570.831.310.881.630.500.832.39
glycerophosphorylcholine (GPC)ME4455581.560.641.280.771.710.440.861.96
N6,N6,N6-trimethyllysineME4457012.210.411.350.571.690.501.111.76
lysylleucineME4456611.500.590.511.241.950.66NA2.19
3-hydroxybutyrate (BHBA)ME4452470.990.540.421.482.391.091.081.76
2,4,6-trihydroxybenzoateME4451871.570.870.850.772.480.840.821.50
glycerophosphoethanolamineME4455551.090.631.121.041.901.120.691.59
imidazole propionateME4456051.970.610.700.530.741.161.482.96
diaminopimelateME4454680.800.940.740.710.601.401.402.97
prolineME4458560.760.860.950.751.151.261.642.79
ectoineME4454931.270.680.501.230.800.601.662.22
N(^1)-acetylspermidineME4456931.750.580.980.890.790.711.721.60
N-acetylprolineME4457331.530.880.720.700.641.101.891.93
gamma-glutamylmethionineME4455351.550.650.780.721.221.190.922.29
malonateME4456641.390.910.850.861.261.200.451.42
cysteinylglycineME4454491.290.640.850.751.411.340.351.95
trimethylamine N-oxideME4459501.311.020.640.651.381.520.411.99
3-hydroxy-3-methylglutarateME4452460.960.370.901.510.690.760.842.38
ribulose/xyluloseME4458811.150.651.081.200.520.560.242.32
arabinoseME4453681.150.541.201.270.930.480.751.78
propionylglycineME4458590.940.710.970.990.960.911.241.86
trans-4-hydroxyprolineME4456001.130.621.011.080.721.151.241.88
N-monomethylarginineME4457750.660.580.840.932.342.191.071.25
1-oleoyl-GPG (18:1)*ME4451600.450.311.511.151.171.681.920.38
dihomo-linolenate (20:3n3 or n6)ME4454730.741.400.521.021.071.431.380.43
tyrosylglycineME4459590.621.020.581.071.702.051.580.48
5alpha-androstan-3alpha,17beta-diol disulfateME4453032.230.690.920.641.171.891.460.81
4-guanidinobutanoateME4452821.430.581.100.851.501.541.731.08
N-acetyltyrosineME4457411.391.060.840.621.201.771.410.82
serineME4458940.820.911.280.841.251.281.541.25
threonineME4459370.810.911.430.781.031.141.441.39
glycerateME4455520.840.751.390.891.081.281.821.29
glycineME4455600.700.801.470.891.381.131.701.29
thymidineME4459390.871.041.180.681.081.441.151.58
cysteine sulfinic acidME4454481.010.811.100.831.191.231.421.54
isoleucineME4456170.871.010.940.861.391.231.441.37
2^-deoxyinosineME4452020.820.871.350.640.861.931.471.69
2-methylserineME4452200.560.801.530.730.991.521.561.68
2^-deoxyuridineME4452030.631.071.090.661.241.671.891.69
3-hydroxylaurateME4452530.860.731.220.761.241.762.001.71
5-methylthioadenosine (MTA)ME4453230.890.670.970.891.271.681.271.49
3-hydroxydecanoateME4452490.860.811.000.891.211.661.701.38
glycylvalineME4455730.790.980.750.920.981.761.671.48
dimethylarginine (SDMA + ADMA)ME4454790.900.631.050.842.101.281.782.05
valineME4459720.711.030.930.722.111.112.061.87
alanineME4453460.780.940.940.811.911.261.851.67
phenylalanineME4458330.760.940.990.831.841.301.871.49
glutamineME4455480.810.861.170.791.721.332.271.31
cholineME4454340.990.691.040.972.301.162.221.05
dihomo-linolenoylcarnitine (20:3n3 or 6)*ME4454740.781.020.820.942.171.172.381.49
1-palmitoyl-GPE (16:0)ME4451720.810.920.801.101.751.221.471.02
glycylleucineME4455720.920.880.631.101.581.361.741.22
leucineME4456340.811.020.900.821.721.341.621.41
citrullineME4454410.751.070.740.941.481.391.621.31
methionineME4456760.800.990.870.851.511.491.821.41
ceramide (d16:1/24:1, d18:1/22:1)*ME4454220.760.750.571.121.501.201.761.80
tyrosineME4459570.740.961.010.851.741.321.351.63
vanillateME4459790.610.870.780.981.641.111.251.77
butyrylglutamine/isobutyrylglutamineME4454030.890.900.611.011.391.341.291.80
lysineME4456600.830.920.860.801.611.531.511.93
gamma-glutamyl-alpha-lysineME4455270.720.820.741.032.371.461.401.68
glutaminylleucineME4455490.800.970.661.051.981.551.071.19
threonylphenylalanineME4459380.850.960.431.011.771.682.371.19
isovalerate (i5:0)ME4456201.191.110.650.621.052.051.981.03
phenylalanylglycineME4458350.740.970.641.021.232.031.890.96
valylglycineME4459760.701.050.571.021.221.842.300.90
gamma-glutamylleucineME4455340.880.950.870.891.271.492.861.33
N-behenoyl-sphingadienine (d18:2/22:0)*ME4457461.050.661.020.991.240.852.741.32
N-formylphenylalanineME4457570.871.030.920.881.370.872.671.04
valerylglycineME4459700.821.060.880.861.260.893.031.04
5-methyluridine (ribothymidine)ME4453240.681.131.190.750.901.192.060.93
4-ureidobutyrateME4452970.811.220.830.850.771.022.440.96
lithocholateME4456560.661.170.801.001.390.802.310.87
isobutyrylglycineME4456150.921.050.830.941.110.882.330.95
vanillinME4459800.810.941.090.861.120.882.350.69
glycylisoleucineME4455710.900.980.721.051.071.311.751.08
N-acetyl-beta-glucosaminylamineME4457140.761.090.720.990.961.491.731.08
2-acetamidobutanoateME4451930.971.060.740.881.061.181.651.40
valerate (5:0)ME4459691.061.020.770.811.091.441.641.36
isovalerylglycineME4456210.971.080.950.960.990.751.730.89
indole-3-carboxylic acidME4456080.971.091.020.890.760.991.811.11
S-1-pyrroline-5-carboxylateME4458831.020.980.850.860.801.171.701.28
3-phenylpropionate (hydrocinnamate)ME4452720.841.020.690.961.181.152.171.56
methionine sulfoxideME4456780.821.090.651.001.141.071.991.32
N-palmitoyl-sphingosine (d18:1/16:0)ME4457810.780.980.671.121.090.932.361.31
tryptophylglycineME4459540.731.030.631.091.081.082.241.04
isoleucylglycineME4456180.731.080.601.001.011.462.441.12
valylleucineME4459770.850.870.571.090.901.622.071.44
N-methylphenylalanineME4457700.451.191.211.021.330.272.240.41
3beta-hydroxy-5-cholestenoateME4452400.401.440.361.481.750.521.860.26
histidylalanineME4455940.601.140.571.161.801.012.090.32
N-acetylmethionineME4457281.300.870.750.742.300.961.671.70
N-acetyltryptophanME4457401.330.780.790.792.521.371.851.08
N-carbamoylalanineME4457471.151.070.731.002.200.812.530.39
leucylglutamine*ME4456360.660.890.641.142.791.301.870.90
N6-acetyllysineME4457020.940.980.840.792.701.032.460.97
deoxycholateME4454600.671.060.781.002.661.072.691.23
linolenoylcarnitine (C18:3)*ME4456440.730.940.921.012.431.152.841.11
4-hydroxybenzoateME4452830.890.871.830.771.960.471.370.95
gamma-glutamylglutamineME4455300.590.511.600.772.330.941.201.29
1-palmitoyl-GPC (16:0)ME4451710.970.721.570.852.900.451.700.82
mevalonateME4456851.450.551.360.822.300.811.441.01
PAHSA (16:0/OH-18:0)ME4458080.890.870.431.461.480.171.130.96
gamma-CEHCME4455251.360.750.880.891.580.811.851.23
pyrralineME4458700.830.861.240.991.900.751.840.85
N-acetylarginineME4457100.931.051.120.821.700.891.820.84
uracilME4459610.781.090.970.961.520.891.760.90
9,10-DiHOMEME4453370.691.030.481.271.631.001.080.89
12,13-DiHOMEME4451330.860.960.471.341.710.631.451.03
alanylleucineME4453471.070.940.551.202.050.621.211.08
8-hydroxyoctanoateME4453360.870.940.931.062.040.720.881.11
methylphosphateME4456820.900.870.871.151.730.751.301.17
palmitoyl dihydrosphingomyelin (d18:0/16:0)*ME4458130.910.731.031.231.840.841.360.81
phenylpyruvateME4458370.710.751.221.342.290.711.700.67
2-hydroxyphenylacetateME4452140.821.020.890.992.260.601.480.72
alpha-methylornithineME4453540.711.160.750.982.320.761.520.90
formiminoglutamateME4455160.861.140.810.922.440.811.551.10
erucate (22:1n9)ME4455030.491.020.371.440.392.411.800.25
solanidineME4459020.741.320.730.790.252.421.070.48
chenodeoxycholateME4454290.40NA0.200.701.022.231.621.99
gamma-glutamyl-epsilon-lysineME4455280.660.901.100.820.912.011.061.86
N6-carboxymethyllysineME4457041.060.880.910.661.012.101.161.94
N-formylmethionineME4457560.920.890.630.771.371.912.101.99
taurineME4459231.090.870.420.911.252.161.441.73
guanosineME4455770.750.761.070.450.523.492.141.70
2^-deoxyguanosineME4452010.720.721.250.480.882.852.002.37
uridineME4459630.630.940.930.601.022.572.132.02
adenosineME4453420.760.890.990.631.013.081.701.32
cytidineME4454511.000.581.570.510.412.931.651.73
3-hydroxyisobutyrateME4452520.840.730.980.550.592.751.331.77
guanineME4455760.840.791.200.710.782.391.811.48
inosineME4456140.920.831.210.590.712.381.871.63
N-acetyl-cadaverineME4457152.610.421.240.450.321.022.311.14
1-stearoyl-GPI (18:0)ME4451812.030.590.930.620.501.792.521.66
7-methylurateME4453331.750.541.120.41NA1.581.981.78
3-methylxanthineME4452711.650.661.630.69NA0.921.780.44
caprate (10:0)ME4454101.430.591.820.590.361.421.880.99
N1-methyladenosineME4451481.130.611.660.730.121.281.991.06
asparagineME4453780.950.841.490.480.491.912.551.53
5-dodecenoate (12:1n7)ME4453180.360.761.460.910.571.702.531.37
myristoleate (14:1n5)ME4456910.370.781.401.010.451.352.601.63
2-hydroxyglutarateME4452090.970.771.221.010.011.592.111.50
3-hydroxyphenylacetateME4452560.691.040.780.77NA2.152.121.34
N-palmitoylserineME4457790.860.960.751.070.191.842.280.78
tridecanedioate (C13-DC)ME4459480.781.310.76NANANANA0.84
sertralineME4458960.561.382.340.47NANANANA
stearidonate (18:4n3)ME4459090.051.572.500.71NA0.03NA0.11
5alpha-pregnan-3(alpha or beta),20beta-diol disulfateME4453110.202.081.560.530.010.160.020.09
caffeic acid sulfateME4454070.131.571.261.05NANANA0.11
4-hydroxychlorothalonilME445285NA0.92NA1.111.28NA0.65NA
2-hydroxyhippurate (salicylurate)ME4452100.530.380.161.990.92NA0.450.07
biochanin AME4454001.11NA0.121.320.57NA1.13NA
3-hydroxyhippurateME4452511.590.051.202.260.040.03NANA
phenylacetylglutamineME4458311.450.080.732.16NA0.200.020.91
(R)-salsolinolME4451150.370.330.942.14NA1.360.150.51
4-methylcatechol sulfateME4452940.360.850.531.83NA1.04NA0.83
N2,N5-diacetylornithineME4456990.700.630.771.780.291.120.370.67
ergosterolME4455010.470.920.471.920.580.350.181.09
diglycerolME4454710.631.070.501.710.400.640.510.60
LAHSA (18:2/OH-18:0)*ME4456300.481.040.411.850.620.330.480.77
OAHSA (18:1/OH-18:0)ME4457900.561.000.561.700.540.330.710.75
m-tyramineME4456880.430.580.652.120.080.130.170.19
deoxycholic acid sulfateME4454610.520.930.372.01NA0.520.000.38
N-acetylserotoninME4457360.531.000.741.75NA0.75NA0.24
bufotenineME445402NA0.38NA2.46NA0.17NA0.89
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol (18:3/16:3)ME4451400.270.32NA2.41NA0.020.190.03
hexanoylglycineME4455900.46NA0.302.11NANA0.73NA
hippurateME4455910.900.050.203.040.180.010.010.01
N-acetylsphingosineME4457370.290.380.223.12NA0.260.380.22
lisinoprilME4456550.001.830.003.17NANANANA
1,2,3-benzenetriol sulfate (1)ME4451190.051.930.022.21NA0.060.51NA
maltitol/lactitol/cellobiotol/palatinolME4456660.032.030.132.19NANANA0.09
saccharinME4458840.291.930.081.870.060.080.150.02
5alpha-pregnan-3beta,20beta-diol monosulfate (1)ME4453150.231.970.381.500.050.580.080.31
enterodiolME4454970.251.760.411.430.310.380.490.13
adenosine-2^,3^-cyclic monophosphateME445343NA1.740.061.40NANANA0.05
hydrochlorothiazideME4455980.101.350.581.62NANANANA
sucraloseME4459180.171.670.371.720.010.240.040.19
5alpha-pregnan-3beta-ol,20-one sulfateME4453160.771.960.740.59NA0.82NA0.83
pregnanolone/allopregnanolone sulfateME4458520.332.260.340.81NA0.36NA0.43
steviolME4459120.441.840.140.940.090.64NA0.81
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)ME4453140.812.090.561.17NA0.16NA0.11
homovanillate sulfateME4455960.292.020.830.790.630.27NA0.13
ciliatine (2-aminoethylphosphonate)ME4454360.850.560.910.930.437.830.30NA
diphenhydramineME4454841.600.710.560.420.039.14NA0.17
ursocholateME4459650.430.420.130.270.267.491.384.18
indolelactateME4456110.780.340.360.452.673.450.465.04
(15:2)-anacardic acidME4451140.080.171.780.33NA5.05NA7.47
maltotrioseME4456700.170.171.180.130.044.40NA5.88
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)ME4451620.190.270.840.1911.160.147.660.05
lactateME4456250.330.361.310.4313.510.800.601.49

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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