Clustering data with hclust algorithm for Define alterations in the gut metabolome of mice infected with C. difficile (Study ST000930)

Reversed phase (Analysis AN001524)
MetaboliteStructureF1F2F3F4
dihydroorotateME2344020.082.990.570.24
N-acetylglucosaminylasparagineME2340870.442.870.240.39
2^-deoxyadenosineME2343790.070.461.761.59
5-aminovalerateME2339260.010.431.881.55
formononetinME2345100.270.341.871.43
4-hydroxyphenylacetateME2339210.190.192.001.51
alpha-ketoglutarateME2341300.180.212.111.39
methyl indole-3-acetateME2345180.250.162.191.31
alpha-muricholateME2342500.070.213.270.34
beta-muricholateME2342550.080.223.180.40
3-dehydrocholateME2342320.710.342.740.18
cholateME2342660.930.192.620.26
pyruvateME2340901.000.332.540.12
3-methyl-2-oxobutyrateME2339120.230.212.391.08
chenodeoxycholateME2342640.490.352.420.67
hyocholateME2342930.530.342.460.61
1H-quinolin-2-oneME2344650.310.252.680.68
7-ketodeoxycholateME2342460.120.362.760.66
ureaME2340610.200.740.302.65
equol sulfateME2345020.010.390.932.54
2^-deoxyuridineME2343850.220.140.822.72
phenylacetateME2340350.150.150.932.67
10-hydroxystearateME2341590.240.250.812.61
2-aminobutyrateME2339060.120.280.782.70
palmitoylcholineME2343370.360.370.432.76
N-oleoyltaurineME2343150.380.380.382.79
oleoylcholineME2343250.420.340.382.78
xanthosineME2344250.300.300.392.91
1-stearoyl-GPS (18:0)ME2342180.380.240.442.85
1-oleoyl-GPE (18:1)ME2341830.350.240.442.89
docosapentaenoate (n6 DPA; 22:5n6)ME2342790.340.220.482.88
butyrylcarnitineME2342570.170.110.603.02
sphingomyelin (d18:1/24:1, d18:2/24:0)ME2343520.200.130.533.04
oleoylcarnitineME2343240.340.120.502.95
1-palmitoleoyl-GPC (16:1)ME2341850.270.200.452.99
docosapentaenoate (n3 DPA; 22:5n3)ME2342780.300.190.462.97
sphingomyelin (d18:2/16:0, d18:1/16:1)ME2343530.220.220.512.96
eicosapentaenoate (EPA; 20:5n3)ME2342810.260.170.522.95
xanthineME2344240.250.130.552.97
cytidine 5^-monophosphate (5^-CMP)ME2344000.230.200.632.84
ergothioneineME2345030.240.210.572.88
1-(1-enyl-palmitoyl)-GPC (P-16:0)ME2341480.280.290.552.80
1-eicosapentaenoylglycerol (20:5)ME2341700.260.260.522.87
1-pentadecanoylglycerol (15:0)ME2342040.210.410.462.82
methylphosphateME2344080.180.320.512.89
gamma-glutamylglutamineME2344330.350.100.722.75
4-vinylphenol sulfateME2344810.280.200.672.76
linoleate (18:2n6)ME2342960.350.240.652.68
2-stearoyl-GPE (18:0)ME2342300.600.270.512.56
adenosine 5^-monophosphate (AMP)ME2343950.290.350.662.62
1-(1-enyl-palmitoyl)-GPE (P-16:0)ME2341490.420.230.682.60
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)ME2341420.470.220.622.62
1-palmitoyl-GPC (16:0)ME2341990.470.200.632.63
linolenate [alpha or gamma; (18:3n3 or 6)]ME2342970.380.280.722.55
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)ME2341950.490.250.672.53
1-(1-enyl-stearoyl)-GPE (P-18:0)ME2341520.450.300.662.53
sphingomyelin (d18:1/15:0, d16:1/17:0)ME2343490.410.330.642.55
3-hydroxypalmitateME2342390.360.390.522.65
oxalate (ethanedioate)ME2341170.340.400.512.67
1-palmitoyl-GPA (16:0)ME2341980.480.350.472.63
1-stearoyl-GPI (18:0)ME2342170.460.350.472.65
1-stearoyl-2-oleoyl-GPC (18:0/18:1)ME2342100.490.300.572.58
gamma-glutamyltyrosineME2344410.470.290.552.63
1-arachidonylglycerol (20:4)ME2341670.410.350.582.58
sphingomyelin (d18:1/14:0, d16:1/16:0)ME2343480.440.380.542.57
gamma-glutamyltryptophanME2344400.400.140.562.83
2-palmitoyl-GPC (16:0)ME2342290.440.280.462.76
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)ME2341460.440.280.512.70
10-heptadecenoate (17:1n7)ME2341580.390.290.542.71
palmitoleate (16:1n7)ME2343290.370.270.562.72
stearoylcarnitineME2343600.530.220.502.69
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)ME2341440.410.220.572.72
1-palmitoyl-GPI (16:0)ME2342020.420.210.612.69
1-stearoyl-GPC (18:0)ME2342140.480.160.572.73
palmitoylcarnitineME2343360.480.200.562.69
13-methylmyristateME2341640.040.170.153.53
p-cresol sulfateME2340330.020.020.213.63
linoleoylcarnitineME2342990.400.100.313.11
isocaproateME2342950.070.070.513.23
3-hydroxyhexanoateME2342360.070.040.583.20
isovalerateME2339770.050.050.603.17
p-cresol-glucuronideME2340340.120.100.353.33
arachidonate (20:4n6)ME2342520.170.090.373.28
docosahexaenoate (DHA; 22:6n3)ME2342770.170.110.343.27
uridineME2344230.090.110.523.16
phenylacetylglycineME2344540.120.130.453.19
sphingomyelin (d18:2/24:1, d18:1/24:2)ME2343540.140.110.483.17
1-(1-enyl-oleoyl)-GPE (P-18:1)ME2341410.190.140.403.17
dihomo-linolenate (20:3n3 or n6)ME2342750.230.130.373.17
dimethylglycineME2339510.190.180.413.12
1-palmitoyl-GPG (16:0)ME2342010.160.140.473.12
4-imidazoleacetateME2339230.170.160.453.12
ornithineME2340320.111.350.292.14
3-ketosphinganineME2342410.050.950.931.95
deoxycarnitineME2342710.171.120.741.87
adenineME2343920.211.280.851.56
fumarateME2341330.101.380.661.75
pyridoxamineME2341200.170.311.012.40
inosineME2344070.330.241.122.23
riboflavin (Vitamin B2)ME2341240.180.281.172.27
indoleacetateME2339720.110.081.202.49
hexanoylcarnitineME2342920.180.101.372.24
phenylpyruvateME2340380.140.161.262.34
2-hydroxybutyrate/2-hydroxyisobutyrateME2339080.080.151.751.91
3-methyl-2-oxovalerateME2339130.180.251.711.76
4-hydroxyphenylpyruvateME2339220.180.191.452.08
guanosineME2344040.100.161.522.11
sphingomyelin (d18:1/20:0, d16:1/22:0)ME2343510.430.211.331.96
adenosineME2343930.300.381.431.80
4-methyl-2-oxopentanoateME2339240.220.291.491.90
putrescineME2340430.210.311.541.84
thymidineME2344180.950.361.221.47
gamma-glutamylglutamateME2344320.650.551.271.49
hypoxanthineME2344060.740.491.311.43
alanineME2339300.740.501.241.49
glycylisoleucineME2344440.740.551.221.47
imidazole lactateME2339700.310.581.341.69
riboseME2340930.500.661.201.57
4-hydroxybutyrate (GHB)ME2342430.530.531.151.73
2-methylbutyrylcarnitine (C5)ME2339090.530.481.141.80
linoleoyl ethanolamideME2342980.590.471.141.75
1-linoleoyl-GPE (18:2)ME2341760.600.431.231.69
1,2-dipalmitoyl-GPC (16:0/16:0)ME2341560.670.461.091.74
glutamineME2339580.660.421.161.72
deoxycholateME2342720.790.471.131.59
sinapateME2345290.660.601.071.63
valylglycineME2344620.670.581.071.63
hexadecanedioateME2342910.640.611.041.67
histidineME2339650.680.571.041.67
N-stearoyl-sphingosine (d18:1/18:0)ME2343200.610.281.281.78
stearoyl sphingomyelin (d18:1/18:0)ME2343590.480.301.391.77
stachydrineME2345330.500.511.281.65
2^-deoxyadenosine 5^-monophosphateME2343800.480.421.311.72
pantothenateME2341180.420.451.341.71
1-linoleoyl-GPC (18:2)ME2341750.640.381.341.60
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)ME2341900.550.461.361.57
naringeninME2345190.420.880.891.74
genisteinME2345120.350.730.991.84
glutaminylleucineME2344430.420.790.971.74
glycerophosphoinositolME2342880.500.710.991.74
aconitate [cis or trans]ME2341290.550.810.641.94
phosphateME2341360.520.750.821.85
2-hydroxypalmitateME2342220.850.530.751.85
myristoylcarnitineME2343130.940.540.731.78
carnitineME2342630.740.590.721.92
arachidate (20:0)ME2342510.690.630.751.88
behenate (22:0)ME2342540.710.630.721.90
cytidine 2^,3^-cyclic monophosphateME2343990.670.670.671.95
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)ME2341400.750.650.641.92
N-palmitoylglycineME2343170.740.630.661.93
S-1-pyrroline-5-carboxylateME2340450.820.760.651.75
cystineME2339490.730.730.651.85
2-palmitoylglycerol (16:0)ME2342280.730.740.731.77
caproate (6:0)ME2342610.780.680.731.79
tryptophanME2340580.830.570.941.64
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)ME2341790.840.540.871.74
phenylalanineME2340360.800.530.921.72
3-hydroxyoctanoateME2342380.800.590.831.76
guanidinoacetateME2339620.700.680.811.78
nonadecanoate (19:0)ME2343160.760.630.791.79
nervonate (24:1n9)ME2343140.740.650.821.76
stearate (18:0)ME2343560.750.650.831.74
dihydroferulic acidME2344980.710.710.831.72
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]ME2343390.690.740.841.69
2-linoleoylglycerol (18:2)ME2342240.630.750.881.69
flavin mononucleotide (FMN)ME2341060.700.700.921.65
stearoyl ethanolamideME2343580.640.700.921.69
pyroglutamineME2340440.670.680.921.68
trigonelline (N^-methylnicotinate)ME2341270.670.700.911.69
lysineME2339830.720.460.961.82
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4)ME2341870.680.420.991.86
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)ME2342050.700.420.971.88
gamma-glutamylalanineME2344290.690.391.051.84
2^-deoxyguanosineME2343830.750.401.011.81
methionineME2339840.760.391.011.82
1-linoleoylglycerol (18:2)ME2341740.620.580.951.80
betaineME2339380.640.620.901.80
palmitoyl ethanolamideME2343330.590.570.931.86
12,13-DiHOMEME2341610.580.610.911.84
citrullineME2339410.580.640.921.81
N6-acetyllysineME2339920.750.520.941.77
homocitrullineME2339660.680.540.991.76
3-methylhistidineME2339140.690.570.921.79
gamma-glutamylhistidineME2344350.680.530.951.81
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)ME2341880.770.520.881.81
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)ME2342070.730.550.861.83
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)ME2341920.710.610.881.76
5,6-dihydrothymineME2343870.750.570.901.75
oleoyl ethanolamideME2343230.590.540.881.94
caprate (10:0)ME2342600.590.540.841.97
glycerol 3-phosphateME2342850.590.560.841.95
1-myristoylglycerol (14:0)ME2341780.530.550.921.95
taurineME2340520.560.500.951.94
17-methylstearateME2341660.700.520.831.91
tyrosineME2340600.740.470.871.88
myristate (14:0)ME2343100.630.590.781.95
myristoleate (14:1n5)ME2343110.640.590.841.88
palmitate (16:0)ME2343280.690.590.801.88
tetradecanedioateME2343720.680.610.801.87
13-HODE + 9-HODEME2341630.950.770.571.71
1-oleoylglycerol (18:1)ME2341810.640.920.741.66
citrateME2341320.710.950.711.59
1-stearoyl-2-oleoyl-GPS (18:0/18:1)ME2342120.850.740.761.64
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]ME2343020.740.830.821.59
coumestrolME2344910.740.830.741.66
homogentisateME2339680.770.770.771.67
2-oleoylglycerol (18:1)ME2342260.620.970.511.85
pseudouridineME2344170.530.770.502.14
diaminopimelateME2344960.180.630.782.30
malateME2341350.210.650.772.28
2-hydroxyglutarateME2342210.100.491.162.14
3-hydroxy-3-methylglutarateME2342330.260.511.132.01
methylsuccinateME2339860.490.481.041.92
glycerophosphorylcholine (GPC)ME2342890.360.580.962.02
glyciteinME2345140.300.650.892.07
glycerophosphoethanolamineME2342860.390.480.912.15
isobutyrylcarnitineME2339740.460.460.892.13
biochanin AME2344860.400.421.052.06
N(1)-acetylspermineME2339870.330.431.032.12
1-stearoyl-GPE (18:0)ME2342150.750.250.782.19
hypotaurineME2339690.640.400.912.01
1-linolenoylglycerol (18:3)ME2341720.560.410.862.11
gamma-glutamylleucineME2344370.570.460.852.06
12-HETEME2341620.500.360.902.17
stearidonate (18:4n3)ME2343570.490.380.842.23
1-docosahexaenoylglycerol (22:6)ME2341690.570.440.762.17
1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3)ME2341860.590.370.822.18
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)ME2341960.580.370.812.19
gamma-glutamylvalineME2344420.350.650.732.19
2-myristoylglycerol (14:0)ME2342250.410.600.772.15
afromosinME2344820.380.590.782.18
phenylalanylglycineME2344560.510.630.712.08
valerateME2343760.490.610.692.14
glutarate (pentanedioate)ME2339590.480.610.802.05
1-lignoceroyl-GPC (24:0)ME2341710.490.530.832.09
N-delta-acetylornithineME2340240.490.560.772.11
pentadecanoate (15:0)ME2343420.460.630.632.22
spermidineME2340500.400.600.622.31
1-linoleoyl-GPG (18:2)ME2341770.500.500.612.33
equolME2345000.480.480.692.29
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)ME2341500.630.450.682.19
margarate (17:0)ME2343060.570.540.672.16
adrenate (22:4n6)ME2342490.530.530.662.22
histidylalanineME2344470.590.510.642.21
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)ME2341450.650.510.602.19
1-stearoyl-2-oleoyl-GPE (18:0/18:1)ME2342110.700.460.642.16
cholesterolME2342680.740.490.592.15
N-palmitoyl-sphinganine (d18:0/16:0)ME2343180.750.480.482.26
palmitoyl dihydrosphingomyelin (d18:0/16:0)ME2343320.720.520.532.19
2-hydroxystearateME2342230.730.520.761.96
N-palmitoyl-sphingosine (d18:1/16:0)ME2343190.700.450.772.05
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)ME2341910.740.450.772.01
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)ME2342080.760.450.771.99
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)ME2341470.710.580.612.06
1,2-distearoyl-GPC (18:0/18:0)ME2341570.650.630.622.05
1-palmitoyl-GPS (16:0)ME2342030.620.620.622.10
guanosine 5^- monophosphate (5^-GMP)ME2344050.630.630.632.08
erucate (22:1n9)ME2342830.650.610.692.01
beta-guanidinopropanoateME2344850.590.560.762.03
15-methylpalmitateME2341650.600.580.712.06
butyrylglycineME2342580.590.600.732.04
2-docosahexaenoylglycerol (22:6)ME2342190.620.540.712.08
methyl glucopyranoside (alpha + beta)ME2345170.620.540.722.07
10-nonadecenoate (19:1n9)ME2341600.650.520.692.09
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)ME2341430.670.500.712.08
1-palmitoylglycerol (16:0)ME2341970.640.510.762.05
eicosenoate (20:1)ME2342820.630.540.782.00
palmitoleoylcarnitineME2343300.680.270.582.42
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)ME2341840.680.220.662.40
3-hydroxybutyrate (BHBA)ME2342340.720.140.692.42
1-linolenoyl-GPC (18:3)ME2341730.590.290.742.34
1-stearoyl-GPG (18:0)ME2342160.570.380.722.29
docosadienoate (22:2n6)ME2342760.560.410.722.26
palmitoyl sphingomyelin (d18:1/16:0)ME2343340.490.340.642.46
dihomo-linoleate (20:2n6)ME2342740.500.350.662.43
oleate/vaccenate (18:1)ME2343220.470.360.672.44
1-methylhistidineME2339020.580.280.652.44
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)ME2341930.560.340.642.41
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)ME2341940.570.360.632.39
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)ME2341510.590.430.592.34
tyrosylglycineME2344600.550.410.602.38
1-dihomo-linolenylglycerol (20:3)ME2341680.640.390.522.41
acetylcarnitineME2342480.660.350.602.35
5-dodecenoate (12:1n7)ME2342440.410.350.712.45
3-ureidopropionateME2343860.380.350.672.52
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)ME2343500.380.380.672.49
1,5-anhydroglucitol (1,5-AG)ME2340640.350.410.722.45
ethylmalonateME2339520.340.470.672.44
uracilME2344210.340.350.812.42
cytidineME2343980.460.360.742.36
isovalerylcarnitineME2339780.410.430.752.34
gamma-glutamylmethionineME2344380.520.230.902.29
1-oleoyl-GPC (18:1)ME2341820.520.240.802.38
1-palmitoyl-GPE (16:0)ME2342000.470.270.752.45
sulfateME2345350.350.520.582.46
apigeninME2344830.270.550.582.51
chrysoeriolME2344880.240.560.592.52
1-stearoyl-GPA (18:0)ME2342130.560.520.412.46
phenylalanylalanineME2344550.440.500.412.59
2^-deoxycytidineME2343811.990.541.190.41
tauro-beta-muricholateME2343651.610.262.010.19
taurohyodeoxycholic acidME2343701.590.232.050.20
taurocholateME2343681.680.311.830.26
taurochenodeoxycholateME2343661.630.341.740.36
tauroursodeoxycholateME2343711.600.361.810.31
urateME2344221.401.220.201.23
N-glycolylneuraminateME2345210.961.570.391.08
thioprolineME2340531.361.580.360.74
isomaltoseME2340780.942.480.290.29
N-acetylneuraminateME2340891.201.950.400.47
sucroseME2340961.192.050.640.14
maltotetraoseME2340831.402.100.420.13
raffinoseME2340911.332.350.290.07
N-acetylleucineME2340111.631.730.360.37
N-acetylisoleucineME2340101.641.760.470.21
trans-4-hydroxyprolineME2340551.521.770.550.22
3-deoxyoctulosonateME2344761.611.620.550.29
N-acetylvalineME2340221.671.660.610.14
arabonate/xylonateME2340701.791.580.540.19
N-acetylmethionineME2340121.711.570.570.24
N-acetylserineME2340172.051.660.220.20
mannitol/sorbitolME2340851.941.950.220.01
N-acetylthreonineME2340191.951.850.210.11
pro-hydroxy-proME2340411.961.870.210.09
prolineME2340421.691.310.530.56
3-phosphoglycerateME2340661.571.270.600.63
xyloseME2340971.541.330.650.55
N6-carbamoylthreonyladenosineME2344102.021.230.410.46
prolylglycineME2344571.861.420.380.44
N6,N6-dimethyladenosineME2344092.261.030.620.24
gamma-glutamylisoleucineME2344361.931.240.820.12
threonineME2340541.840.970.730.57
maltopentaoseME2340811.890.980.870.37
succinylcarnitineME2341381.770.971.050.30
digalacturonic acidME2344970.342.160.710.71
sarcosineME2340470.332.131.070.38
2-isopropylmalateME2344700.052.051.290.49
N-carbamoylaspartateME2344140.221.851.340.50
arabinoseME2340680.471.551.480.43
tryptamineME2340570.381.721.510.32
2-keto-3-deoxy-gluconateME2344710.531.801.200.41
tyramineME2340590.691.621.040.61
valylleucineME2344630.611.561.160.62
alanylleucineME2344260.631.690.800.83
cholate sulfateME2342670.781.790.610.80
adenosine 3^,5^-cyclic monophosphate (cAMP)ME2343940.831.640.940.57
feruloylputrescineME2345070.931.740.810.51
heptanoate (7:0)ME2342901.041.480.840.64
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]ME2343350.801.460.970.74
tryptophylglycineME2344590.911.330.890.85
phytosphingosineME2343431.520.801.030.72
glycerateME2340771.421.100.720.81
glycineME2339611.360.910.890.88
O-sulfo-L-tyrosineME2345231.231.040.790.97
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]ME2343271.031.160.910.90
thiamin (Vitamin B1)ME2341251.031.210.860.91
4-cholesten-3-oneME2342420.951.161.010.88
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]ME2343011.111.070.980.86
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]ME2343381.011.041.030.93
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]ME2343401.031.091.000.88
tricarballylateME2341391.001.221.090.69
glucarate (saccharate)ME2341091.161.240.990.63
myo-inositolME2343091.131.221.000.67
taurocholenate sulfateME2343691.221.160.860.78
3-hydroxysebacateME2342401.131.131.030.73
daidzein sulfate (1)ME2344931.151.130.970.77
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]ME2343031.091.150.980.79
N6-succinyladenosineME2344121.181.041.050.75
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]ME2343411.141.001.060.83
2-oxindole-3-acetateME2344730.890.971.300.83
N-acetyl-cadaverineME2340020.880.961.320.82
beta-alanineME2343970.881.011.230.86
ectoineME2344990.921.041.230.80
glycerophosphoglycerolME2342870.841.111.260.77
N-acetyltyrosineME2340210.941.091.170.80
5-methyluridine (ribothymidine)ME2343890.951.101.230.71
tauro-alpha-muricholateME2343640.901.111.230.75
N-acetylhistidineME2340091.041.091.210.66
N-acetylphenylalanineME2340141.031.131.170.67
beta-citrylglutamateME2339371.111.151.130.62
2-aminoadipateME2339051.101.141.180.60
malonateME2343051.081.111.220.60
3-carboxyadipateME2342311.091.061.180.68
carnosineME2344281.141.071.130.67
N-acetyltryptophanME2340201.071.061.090.79
tartarateME2345371.041.101.150.72
allantoinME2343961.071.061.140.74
daidzein sulfate (2)ME2344941.051.071.140.74
4-hydroxycinnamateME2339181.090.971.180.77
anserineME2344271.061.001.140.81
N-formylphenylalanineME2340261.041.001.260.71
pyrralineME2345251.120.991.230.68
cysteinylglycineME2339481.121.001.190.71
N2-acetyllysineME2339901.091.011.210.70
caffeic acid sulfateME2344871.330.921.170.61
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)ME2341531.170.971.250.64
cis-urocanateME2339401.191.021.220.59
nicotinate ribonucleosideME2341161.171.131.200.51
O-methyltyrosineME2340311.181.101.190.55
argininosuccinateME2339341.211.071.120.62
cystathionineME2339441.271.021.170.56
citraconate/glutaconateME2341310.931.461.230.38
guanidinosuccinateME2339631.021.511.030.44
picolinateME2340390.791.321.200.67
glucoseME2340751.041.321.160.48
suberate (octanedioate)ME2343621.001.311.160.53
1-methyladenineME2343771.001.151.250.60
azelate (nonanedioate)ME2342530.941.251.250.55
galactonateME2340740.981.211.260.55
2,8-quinolinediol sulfateME2344691.121.231.450.22
N-methylglutamateME2340280.971.281.450.29
orotateME2344150.991.231.450.33
N6-carboxymethyllysineME2340861.041.061.280.62
1-methylguanidineME2339010.961.061.320.65
pyridoxine (Vitamin B6)ME2341220.991.081.340.58
guanineME2344031.071.021.360.57
S-(3-hydroxypropyl)mercapturic acid (HPMA)ME2345271.051.071.360.53
N-acetylasparagineME2339991.021.081.440.46
erythronateME2340711.071.021.430.49
succinimideME2345341.031.031.420.53
mevalonateME2343070.981.101.520.40
3-sulfo-L-alanineME2339150.931.041.530.49
mevalonolactoneME2343080.981.051.490.47
coumaroylquinate (5)ME2344900.971.151.380.50
histamineME2339640.841.231.430.48
N-acetylprolineME2340150.911.221.410.44
N-methyl-GABAME2340270.951.221.390.42
2-ketogulonateME2340651.180.911.430.50
formiminoglutamateME2339530.930.911.490.67
alpha-hydroxyisovalerateME2339321.050.911.520.53
serotoninME2340490.960.921.570.55
lactateME2340791.281.490.970.30
8-hydroxyguanineME2343911.281.521.050.18
vanillin sulfateME2345391.361.461.040.18
1-methylguanineME2343781.101.541.110.25
fructoseME2340721.081.711.050.17
N-acetylalanineME2339971.651.400.860.18
threonateME2341261.571.400.920.19
1-kestoseME2344661.381.361.030.28
N-acetylmethionine sulfoxideME2340131.451.340.980.29
ferulylglycine (1)ME2345081.491.240.850.48
2-ketogluconateME2344721.531.350.880.31
N-acetylarginineME2339981.471.320.890.38
cysteineME2339451.501.260.930.37
trimethylamine N-oxideME2343741.491.270.930.37
biliverdinME2341031.291.460.820.47
ferulylglycine (2)ME2345091.291.420.750.58
taurochenodeoxycholate sulfateME2343671.391.360.770.52
xanthurenateME2340631.421.170.850.62
isovalerylglycineME2339791.291.310.930.51
galactarate (mucic acid)ME2345111.321.280.890.54
suberoylcarnitineME2343631.301.330.880.54
4-hydroxycinnamate sulfateME2339191.271.201.070.49
4-hydroxyhippurateME2344791.261.221.030.52
gamma-glutamylglycineME2344341.391.200.950.51
pheophorbide AME2345241.351.241.020.43
isobutyrylglycineME2339751.281.341.250.17
isocitric lactoneME2341341.181.341.260.25
pyridoxateME2341211.101.241.320.35
erythritolME2345041.081.211.300.42
pinitolME2343441.131.201.290.39
gamma-glutamyl-epsilon-lysineME2344311.121.161.280.46
N-acetylcarnosineME2344531.131.141.340.41
cysteine sulfinic acidME2339471.121.341.190.37
lactobionateME2340801.211.331.110.38
N-acetyl-3-methylhistidineME2339961.211.311.140.36
N-acetylcysteineME2340041.221.321.150.34
7-methylguanineME2343901.181.361.060.43
ribonateME2340921.231.301.060.43
gluconateME2345131.261.221.160.40
N-acetylglutamineME2340061.291.171.150.43
carboxyethyl-GABAME2339391.241.181.210.40
gulonateME2341101.231.171.190.43
N-acetyl-aspartyl-glutamate (NAAG)ME2340011.261.161.180.43
N-acetyl-1-methylhistidineME2339951.291.141.200.41
N-acetyltaurineME2340181.271.111.200.45
quinateME2345261.211.181.140.50
naringenin 7-glucuronideME2345201.261.151.140.49
ferulic acid 4-sulfateME2345061.301.151.100.49
3-sialyllactoseME2340671.321.121.130.47
orotidineME2344161.291.121.140.49
ribulose/xyluloseME2340941.261.211.230.33
N-formylmethionineME2340251.191.271.210.35
nicotianamineME2345221.241.251.190.36
creatinineME2339431.221.131.260.42
arabitol/xylitolME2340691.191.201.250.38
saccharopineME2340461.161.211.210.45
alpha-hydroxyisocaproateME2339311.290.981.370.40
maltotrioseME2340841.390.981.320.36
trans-urocanateME2340561.351.031.350.31
1-methylnicotinamideME2340981.400.981.160.50
cysteine s-sulfateME2339461.431.011.230.38
5-methyl-2^-deoxycytidineME2343881.360.971.280.44
gamma-glutamylcysteineME2344301.301.011.250.48
maltoseME2340821.521.031.170.35
quinolinateME2341231.561.091.100.31
glutarylcarnitine (C5)ME2339601.411.151.110.39
1-(3-aminopropyl)-2-pyrrolidoneME2344641.411.091.030.53
glucuronateME2340761.501.081.000.48
2^-deoxycytidine 5^-monophosphateME2343821.200.191.571.06
2^-deoxyinosineME2343841.180.281.321.24
thymineME2344200.980.391.391.25
2-palmitoleoylglycerol (16:1)ME2342271.340.550.491.67
N-methylprolineME2340291.390.550.751.35
sphinganineME2343471.320.540.861.32
sphingosineME2343551.280.620.861.27
isoleucylglycineME2344480.630.851.071.41
lysylleucineME2344520.490.851.171.43
daidzeinME2344920.520.901.051.48
salicylateME2345280.480.951.061.44
gamma-aminobutyrate (GABA)ME2339540.691.200.861.21
leucylglutamineME2344500.471.281.021.17
leucylalanineME2344490.521.190.911.32
valylglutamineME2344610.531.061.051.30
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]ME2343260.800.930.761.48
soyasaponin IIIME2345320.820.890.871.40
caprylate (8:0)ME2342620.880.830.841.44
bilirubin (Z,Z)ME2341020.890.830.871.40
sedoheptuloseME2340950.870.870.871.38
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]ME2343310.820.980.821.35
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]ME2343000.850.950.911.27
9,10-DiHOMEME2342470.770.930.941.33
1,2-dilinoleoyl-GPE (18:2/18:2)ME2341550.800.920.951.31
sebacate (decanedioate)ME2343460.790.920.951.31
creatineME2339421.020.850.891.24
propionylcarnitineME2343451.050.930.651.37
glutamate, gamma-methyl esterME2339571.110.850.711.35
glycerolME2342841.030.870.751.36
5-hydroxylysineME2339270.800.711.101.36
N-acetyl-beta-alanineME2344130.820.691.111.36
ferulateME2345050.790.761.091.33
gamma-glutamylphenylalanineME2344390.840.751.061.32
4-acetamidobutanoateME2339160.780.721.211.26
5-methylthioadenosine (MTA)ME2339280.790.671.241.28
gamma-tocotrienolME2341080.710.751.171.33
N-acetylputrescineME2340160.660.701.231.37
kynurenineME2339810.730.770.911.56
2-hydroxydecanoateME2342200.790.770.941.48
3-hydroxylaurateME2342370.850.750.891.49
tricosanoyl sphingomyelin (d18:1/23:0)ME2343730.810.810.861.50
1,2-dilinoleoyl-GPC (18:2/18:2)ME2341540.720.721.011.52
leucylglycineME2344510.670.751.041.50
arginineME2339330.860.591.031.50
glycylleucineME2344450.790.631.091.46
thymidine 5^-monophosphateME2344190.740.651.091.49
myristoleoylcarnitineME2343121.050.540.811.61
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)ME2341800.920.660.831.58
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)ME2342090.930.650.811.60
N-monomethylarginineME2340300.980.581.021.43
octanoylcarnitineME2343210.990.611.041.37
hemeME2341110.990.710.891.42
N6-formyllysineME2339940.860.681.001.44
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)ME2342060.950.690.961.39
dodecanedioateME2342800.930.701.001.36
isoleucineME2339761.160.700.891.27
leucineME2339821.070.620.901.43
valineME2340621.110.590.921.39
asparagineME2339351.100.611.320.99
N6-methyladenosineME2344110.980.641.161.23
methionine sulfoxideME2339851.080.661.111.15
serineME2340481.170.641.041.17
alpha-tocotrienolME2341010.750.951.081.19
undecanedioateME2343750.750.941.021.26
N-alpha-acetylornithineME2340230.651.021.181.11
daidzinME2344950.810.961.181.03
delta-tocopherolME2341040.781.001.121.08
4-hydroxybenzoateME2344780.800.801.341.04
nicotinateME2341150.750.851.291.09
2-methylcitrate/homocitrateME2341280.960.751.141.15
dimethylarginine (SDMA + ADMA)ME2339500.940.801.081.17
glycitinME2345150.790.841.161.19
glycylvalineME2344460.830.801.151.19
N6,N6,N6-trimethyllysineME2339910.890.821.211.07
N-acetylglycineME2340070.870.821.171.13
N-acetylmuramateME2340880.921.150.871.05
alpha-tocopherol acetateME2341000.831.100.961.09
gamma-tocopherol/beta-tocopherolME2341070.841.150.971.02
cholineME2342690.960.970.961.11
beta-sitosterolME2342560.950.950.951.14
syringic acidME2345360.930.950.971.14
stigmasterolME2343610.890.990.901.20
tartronate (hydroxymalonate)ME2345380.880.960.961.18
nicotinamideME2341130.881.011.110.98
3-hydroxydecanoateME2342350.901.031.031.03
N1-Methyl-2-pyridone-5-carboxamideME2341120.881.011.001.10
alpha-tocopherolME2340990.970.931.041.05
campesterolME2342590.960.921.031.09
spermineME2340511.001.001.001.00
indolin-2-oneME2345161.001.001.001.00
D-urobilinME2341051.001.001.001.00
3,5-dihydroxybenzoic acidME2344751.001.001.001.00
3,4-dihydroxybenzoateME2344741.001.001.001.00
2-(4-hydroxyphenyl)propionateME2339041.001.001.001.00
2,8-quinolinediolME2344681.001.001.001.00
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])ME2342730.991.090.911.01
soyasaponin IME2345301.001.030.951.02
soyasaponin IIME2345310.991.050.911.05
4-guanidinobutanoateME2339171.040.951.120.90
cytosineME2344011.090.901.030.99
N-acetylcitrullineME2340030.990.871.330.81
kynurenateME2339800.960.831.260.95
1-methylimidazoleacetateME2339030.960.851.210.97
glutamateME2339560.970.851.180.99
aspartateME2339361.060.821.240.89
N2,N6-diacetyllysineME2339891.090.871.180.87
2-hydroxy-3-methylvalerateME2339071.230.771.650.38
gentisateME2339550.591.081.910.38
3-hydroxypyridine sulfateME2344770.860.691.820.61
phenyllactate (PLA)ME2340370.960.701.770.57
3-(4-hydroxyphenyl)lactateME2339100.730.631.870.74
indolelactateME2339730.820.621.940.59
maleateME2343040.721.091.650.51
N-acetylhistamineME2340080.800.901.720.56
coumaroylquinate (4)ME2344890.811.001.610.56
N6-carboxyethyllysineME2339930.810.971.620.58
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)ME2341890.870.791.510.81
4-hydroxymandelateME2344800.710.871.600.79
N1,N12-diacetylspermineME2339880.640.731.561.03
pipecolateME2340400.600.811.471.07
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)ME2342450.610.891.441.01
nicotinamide ribosideME2341140.650.901.361.05
4-hydroxyglutamateME2339200.581.071.300.99
chiro-inositolME2342650.681.091.410.78
threonylphenylalanineME2344580.721.041.310.90
homocysteineME2339670.390.571.821.14
choline phosphateME2342700.590.511.591.26
hyodeoxycholateME2342940.510.501.681.24
3-hydroxyisobutyrateME2339110.630.561.721.05
5-oxoprolineME2339290.650.461.711.14
4-methylthio-2-oxobutanoateME2339250.420.421.511.57
N-acetylaspartate (NAA)ME2340000.340.471.591.51
equol glucuronideME2345010.410.871.411.24
N-acetylglutamateME2340050.480.831.371.26
benzoateME2344840.520.601.511.31
pyridoxalME2341190.450.681.401.40
succinateME2341370.070.881.481.45
imidazole propionateME2339710.091.131.840.83
2,3-dihydroxyisovalerateME2344670.111.211.521.05
galactitol (dulcitol)ME2340730.371.051.491.02

Factors:

F1Hours:-
F2Hours:12
F3Hours:24
F4Hours:30
Data matrix
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