Clustering data with hclust algorithm for SCOR Metabolomics (Study ST000105)

ESI negative ion mode (Analysis AN000174)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18
MONO-METHYL GLUTARATEME6590040.520.490.440.450.690.55NA0.790.25NANA0.970.600.650.5311.310.440.67
P-BROMO-DL-PHENYLALANINEME6590530.110.130.090.091.465.81NANA3.916.32NA0.10NA0.030.050.120.180.10
4-HYDROXY-3-METHOXYMANDELIC ACIDME6588096.570.880.290.730.480.49NA0.230.510.30NA0.36NA0.510.210.441.424.12
PYRIDOXINEME6590840.580.910.330.420.740.970.911.800.560.320.227.011.170.371.032.500.660.50
GAMMA-LINOLENIC ACIDME6589391.221.650.480.621.342.005.921.570.770.760.290.630.970.461.121.210.580.36
DIMETHYLURATE (*)ME6589200.460.781.331.180.58NA1.370.160.520.584.650.420.550.940.860.831.511.37
XYLONATE (*)ME659140NA0.640.690.990.060.130.95NA0.220.464.440.30NA1.270.440.811.711.55
QUINATEME6590862.160.142.290.672.87NANA1.410.21NA0.521.900.100.11NA0.330.900.53
UROCANATEME6591330.400.540.731.001.390.660.19NA1.36NA0.262.140.263.430.250.441.451.62
BEHENIC ACIDME6588602.651.430.340.54NA1.541.093.060.460.45NA0.620.280.270.751.310.911.15
DIMETHYLXANTHINE (*)ME6589223.771.660.841.17NANA0.891.350.350.702.460.480.490.550.830.711.300.72
GERANYL PYROPHOSPHATEME6589400.47NA0.840.50NANA0.72NANA0.700.65NA1.491.20NA4.130.250.87
2`-DEOXYADENOSINEME6587740.800.660.900.860.640.721.530.63NA0.44NA0.880.550.971.232.841.141.01
2-HYDROXYQUINOLINEME6587690.730.720.770.680.830.880.400.660.690.570.510.890.680.770.654.491.010.77
ERUCIC ACIDME6589291.750.79NA0.66NA1.000.780.700.840.50NA0.790.360.720.603.790.740.66
HEXANOATEME6589650.610.830.880.990.920.850.141.520.831.050.893.870.730.821.030.930.780.99
N-ACETYL-D-TRYPTOPHANME6590120.590.720.650.721.391.150.372.410.860.900.392.871.131.000.951.041.351.65
ALLANTOINME6588401.060.660.690.601.251.21NA1.21NA0.58NA4.080.44NA0.870.720.940.42
BOC-PRO-OHME6588750.960.771.150.791.440.59NA1.491.150.64NA4.851.28NA0.330.930.920.93
4-HYDROXY-3-METHOXY-BENZENEMETHANOLME6588080.831.060.920.740.551.500.82NA0.551.25NA2.590.841.160.810.87NA0.73
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OHME6588650.870.971.170.930.74NA0.711.38NA0.66NA3.190.60NA1.740.700.461.28
S-HEXYL-GLUTATHIONEME6590940.910.951.050.42NA0.63NA1.62NA1.270.291.680.970.551.670.880.471.60
5-PHOSPHO-ALPHA-D-RIBOSEME6588240.680.84NA0.61NA1.11NA1.16NANA1.811.061.22NANA1.01NA0.87
CAPECITABINEME6588780.180.571.630.660.63NANA0.450.300.372.17NANA0.82NA1.920.321.82
RETINOATEME6590881.060.410.161.461.161.641.830.871.870.190.560.252.772.500.310.571.240.68
URSODIOLME6591340.510.771.041.250.180.240.220.760.420.440.102.182.293.130.230.680.831.03
CORTICOSTERONEME6588941.001.060.432.04NA1.441.341.110.101.33NA0.961.421.76NA0.810.450.21
N-BENZYLOXYCARBONYLGLYCINEME6590240.920.901.202.240.430.431.010.600.690.85NA0.621.412.670.540.420.470.77
OCTOPAMINEME6590440.930.800.840.801.021.03NA1.033.010.490.690.91NA1.071.440.732.351.16
NICOTINAMIDEME659033NA0.930.502.01NANA1.26NA0.99NA0.500.701.04NANANA1.10NA
XANTHOSINEME6591371.071.131.011.120.94NA1.450.76NANA0.86NANANANANA0.730.55
2,3-DIPHOSPHO-D-GLYCERIC ACIDME6587631.070.791.20NANA0.68NANA1.400.53NA0.91NANANA1.221.62NA
4-HYDROXY-3-METHOXYPHENYLGLYCOLME658810NA1.051.650.980.66NA0.960.76NA1.22NA1.35NANA0.770.58NANA
17BETA-HYDROXYANDROSTAN-3-ONEME658760NANA1.370.79NANANA0.831.280.78NA0.71NANA1.101.220.93NA
INDOLE-3-ACETALDEHYDEME6589770.990.570.891.06NANA1.201.161.03NANANANANA0.961.02NANA
SALICYLIC ACIDME6590970.680.241.952.140.320.30NA0.19NA0.880.56NA1.60NANANANANA
DIMETHYLBENZIMIDAZOLEME6589190.200.261.931.66NA0.320.25NANANANANANA1.130.271.54NA0.73
ADENOSINE 5`-MONOPHOSPHATEME6588371.28NA1.640.850.40NANANANA0.770.23NANA0.96NA0.16NA0.89
CREATINEME6588960.99NA0.990.961.231.45NA0.90NA0.85NANANA0.85NANANA0.77
BOC-HIS-OHME6588720.790.710.390.751.02NANA1.53NA0.741.27NANANANA1.451.580.48
INDOLE-3-ETHANOLME6589791.610.580.96NA1.67NANANANA0.690.600.82NA0.60NA0.711.240.56
PYRIDOXALME6590830.58NANA0.540.720.73NA0.93NANANANA0.430.690.981.271.332.71
3-METHYL-2-OXOVALERIC ACIDME658796NA1.080.810.741.001.35NANANANANA0.37NA0.841.041.621.130.90
TARTARIC ACIDME6591080.731.180.56NA0.680.63NA0.42NANANA0.45NA0.40NA2.100.921.73
BILIVERDINME6588631.330.920.820.900.550.32NANANANANANANANA1.010.72NA1.92
EDTA (*)ME6589281.151.120.641.10NA0.99NANA0.56NANANANA0.871.050.721.011.42
BENZOATEME6588611.261.091.680.91NA0.90NA0.830.53NA0.43NA0.55NA0.500.590.731.34
PHYTIC ACIDME6590730.590.871.591.24NA1.47NANA0.70NANANANANANA1.420.810.75
HYDROXYBENZOIC ACIDME6589711.010.800.931.121.460.361.200.88NA1.43NA0.85NANA3.001.011.210.73
GLYCOCHOLATEME6589501.571.101.200.372.230.370.491.180.390.34NA0.411.610.451.712.090.390.37
DESMETHYLNAPROXEN SULFATE (*)ME6589121.171.450.340.380.752.470.801.540.391.440.570.771.460.520.191.701.710.50
GLYCEROL PHOSPHATEME6589480.960.951.001.110.861.302.06NANA0.58NANA0.861.101.240.830.680.95
FORMYL-L-METHIONINEME6589361.121.280.760.491.311.761.841.080.370.440.340.801.800.261.791.331.700.40
TYRAMINEME6591260.921.110.260.371.211.741.771.070.180.55NANA1.42NA1.211.121.400.46
6-HYDROXYNICOTINATEME6588271.080.811.310.950.771.211.940.760.970.70NA0.520.890.810.630.721.200.99
URIDINE 5`-DIPHOSPHATEME6591300.891.110.880.841.081.051.640.881.081.06NANA1.200.600.981.121.040.92
DOCOSADIENOATE (*)ME6589231.131.400.480.721.011.892.210.990.850.920.280.781.150.540.901.241.150.72
N-ACETYL-D-GALACTOSAMINEME6590111.041.151.070.731.181.312.031.130.420.710.890.890.910.710.571.001.261.14
STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6591062.161.530.470.511.432.171.401.140.590.460.230.391.080.430.550.661.480.56
LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6589932.201.680.420.461.352.142.911.190.400.300.230.301.330.470.690.771.140.52
ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6588532.091.390.510.491.372.222.441.000.510.420.230.401.140.530.710.781.450.70
OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6590462.081.380.480.501.202.042.150.990.370.39NA0.291.050.450.640.781.350.57
ARACHIDONATEME6588521.561.210.510.611.452.152.521.010.650.620.440.511.050.541.091.051.580.66
ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*)ME6588541.721.180.520.681.421.912.001.030.760.660.420.590.880.610.870.981.540.71
PALMITOYLGLYCEROPHOSPHOINOSITOL (*)ME6590582.031.280.530.641.421.911.800.970.670.580.380.770.940.470.620.901.420.65
PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE (*)ME6590572.341.610.750.751.231.770.740.690.550.500.660.690.970.590.310.531.010.56
2-HYDROXYSTEARATE (*)ME6587701.651.280.560.761.561.781.350.960.900.720.700.721.180.690.700.841.040.76
ALPHA-TOCOPHEROL (*)ME6588421.531.950.530.541.061.801.231.290.820.530.170.641.400.770.360.610.770.77
PALMITOLEATE (*)ME6590551.221.210.530.911.141.983.621.411.021.230.511.210.570.410.711.080.840.52
DIHOMO-LINOLENATE (*)ME6589171.571.340.480.631.322.713.260.980.640.670.310.540.920.460.871.041.390.51
DIHOMO-LINOLEATE (*)ME6589161.431.200.610.771.412.353.450.970.900.890.320.770.840.530.820.831.250.62
DOCOSAPENTAENOATE (*)ME6589251.551.150.630.671.362.463.261.000.820.830.350.670.900.510.881.051.220.59
HEPTADECENOATE (*)ME6589611.131.280.600.811.422.183.691.160.850.960.340.890.680.481.020.951.110.65
NONADECENOATE (*)ME6590361.311.340.610.841.251.943.340.970.820.820.340.840.840.570.820.791.230.69
4-ACETAMIDOBUTANOATEME6588021.061.050.690.651.151.063.171.000.561.08NA0.661.250.252.161.351.100.93
STEARIDONATE (*)ME6591051.121.040.700.721.051.772.861.380.860.950.350.690.630.621.502.370.800.85
GULONO-1,4-LACTONEME6589590.651.260.600.611.481.212.372.320.600.590.520.931.650.600.701.311.220.87
MYRISTOLEIC ACIDME6590071.091.221.141.111.000.972.461.151.011.210.771.250.570.510.790.860.710.66
LAURIC ACIDME6589881.231.631.120.950.870.863.671.110.810.940.550.800.920.670.940.690.560.52
DECANOATEME6589071.031.501.031.020.730.623.081.080.940.890.640.911.020.860.960.630.810.77
TRIDECANOIC ACIDME6591230.951.510.830.950.871.013.291.090.751.000.670.951.000.780.960.980.790.73
2`,4`-DIHYDROXYACETOPHENONEME6587730.911.330.530.771.021.301.901.560.890.490.511.960.980.740.711.190.520.97
AMINOBUTANOIC ACIDME6588430.761.100.951.000.730.932.361.250.580.56NA1.600.720.970.841.270.970.80
GLUTARATEME6589460.470.730.630.891.800.470.802.381.521.420.360.571.970.400.581.460.531.57
ADENOSINEME6588341.801.812.200.710.980.84NA0.601.45NA0.490.770.861.05NA0.910.481.31
GLYCOLITHOCHOLIC ACID ETHYL ESTERME6589520.831.420.741.00NA0.69NA1.361.101.56NANA1.050.770.610.66NA0.91
SALICYLATE (*)ME6590960.590.890.951.81NA0.57NA1.440.610.820.43NA1.27NA0.490.85NA1.12
6-PHOSPHOGLUCONIC ACIDME6588280.770.970.890.880.59NANANA1.361.12NANA1.111.06NANANA1.52
LEUCENOLME6589901.061.12NA1.020.570.96NA0.750.990.64NANANA1.250.71NANA1.29
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEME6587560.530.53NA1.22NANANA0.991.19NA0.57NA1.48NA1.040.932.060.55
HOMOVANILLATEME6589690.721.300.890.48NA0.570.670.970.49NANA0.692.690.631.490.781.160.59
RIBOFLAVINME6590890.670.600.730.660.58NANA1.290.810.48NA1.172.01NA1.351.481.041.28
2,5-DIOXOPIPERAZINEME6587650.821.110.541.12NANANA1.19NANANA0.780.950.811.781.591.050.61
3-HYDROXYANTHRANILATEME6587890.940.98NA0.510.880.69NA1.17NANANANA1.35NA1.061.130.830.89
5-HYDROXY-L-TRYPTOPHANME6588200.701.220.820.801.271.16NA0.50NA0.99NANANANA0.87NA1.27NA
THYMIDINEME6591181.181.411.170.581.020.730.80NANA1.47NA0.780.70NA0.610.611.790.37
XANTHOSINE 5`-MONOPHOSPHATEME6591380.921.121.050.980.900.830.58NANA1.08NA0.881.06NA1.05NA1.170.93
METHYL BETA-D-GALACTOSIDEME6590021.231.611.090.72NA0.381.480.95NA0.96NA0.501.57NANA0.310.710.52
N(PAI)-METHYL-L-HISTIDINEME6590081.160.920.920.92NA1.38NA0.62NA0.68NA0.830.99NANANA1.33NA
ARGININEME6588550.950.991.021.040.870.951.030.97NANANA1.041.00NANA1.060.961.00
CARNOSINEME6588801.101.041.040.720.771.69NA1.42NANANA0.761.16NANA1.110.79NA
HEXACOSANOIC ACIDME6589630.270.450.680.940.88NANA1.260.971.04NA0.86NA1.661.120.801.751.48
17ALPHA-HYDROXYPROGESTERONEME6587590.401.021.501.600.52NANANANA0.74NA1.30NA1.010.291.391.440.84
TAUROLITHOCHOLATEME6591120.400.561.321.690.29NA0.150.350.34NANA1.300.250.260.331.471.781.84
ARACHIDIC ACIDME6588511.331.340.761.06NANANA0.20NA0.95NA1.030.520.740.270.311.751.04
MALONATEME6589980.900.911.001.300.66NANA0.940.760.94NA1.23NANA0.930.770.911.08
SALICYLURIC GLUCURONIDE (*)ME659098NA1.260.811.41NANANA0.920.590.86NA1.14NANA0.58NA0.700.71
3-METHYLADENINEME6587971.100.870.951.12NANANANA0.940.69NA1.391.15NA1.070.740.791.22
PURINEME6590800.800.681.251.050.50NANANA0.810.65NA1.000.601.001.740.741.091.21
N-ACETYL-DL-METHIONINEME6590140.840.870.251.571.731.98NA0.99NANANA0.171.60NA1.420.711.150.28
TESTOSTERONEME6591131.890.540.761.100.951.88NANA1.110.501.311.100.81NA1.340.990.50NA
TAUROCHOLATE (*)ME6591111.150.490.780.861.031.29NA1.181.920.98NANA1.370.371.820.971.060.37
NORMETANEPHRINEME6590381.231.220.480.521.401.750.530.360.580.57NA0.561.08NA1.761.230.670.56
N(PAI)-METHYL-L-HISTIDINE (*)ME6590091.521.090.670.501.792.100.231.150.860.840.810.661.080.372.071.640.620.51
PHTHALATEME659072NA1.510.720.782.231.13NA1.070.70NANA0.930.721.000.721.370.650.69
THYMINEME6591191.051.30NANA0.801.25NANA1.100.66NA0.621.300.91NANA1.01NA
SALICYLAMIDEME6590951.170.92NA0.870.760.86NA1.460.770.88NA0.890.910.88NA0.941.490.80
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEME6587771.031.190.960.901.061.01NA0.931.14NA1.230.911.010.90NANA0.831.19
CYSTEIC ACIDME6589011.051.321.010.800.960.67NA1.110.79NANA0.640.930.96NANA1.510.63
INDOLEPROPIONATE (*)ME6589801.770.712.250.730.841.530.850.870.881.54NA0.721.640.790.461.080.450.71
METHYL INDOLE-3-ACETATEME6590030.551.051.801.070.640.53NA0.501.830.44NA1.631.100.930.571.450.600.93
PHOSPHOETHANOLAMINEME659069NANA1.171.460.771.09NA1.291.23NANA0.960.880.710.831.100.520.83
HIPPURATEME6589680.860.841.181.130.561.200.341.101.112.850.700.940.550.851.180.840.930.72
3-HYDROXYBENZYL ALCOHOLME6587911.060.930.660.860.321.010.170.771.100.740.590.441.451.102.381.581.001.22
N-ACETYL-DL-GLUTAMIC ACIDME6590130.751.100.720.680.311.22NA1.511.24NANA1.061.061.612.001.671.200.74
3-HYDROXY-3-METHYLGLUTARATEME6587871.701.130.930.430.601.000.110.980.651.090.101.460.540.971.051.700.581.23
BIOTINME6588641.250.921.561.11NA0.88NA1.160.860.770.990.890.751.061.222.320.570.69
DEOXYCORTICOSTERONE ACETATEME6589090.680.671.610.920.890.86NA1.21NA0.06NA1.760.991.050.541.620.710.94
3,4-DIHYDROXYBENZOATEME6587800.971.040.951.161.050.62NA0.88NA0.69NA0.870.781.660.731.141.080.81
CHENODEOXYCHOLATEME6588821.290.910.811.110.971.000.221.650.440.470.361.211.211.581.051.230.590.92
3ALPHA-HYDROXY-5BETA-CHOLANATEME6588000.861.131.330.890.64NA0.250.610.690.460.450.781.702.030.861.000.731.30
N-ACETYL-L-LEUCINEME6590170.481.071.911.470.580.660.300.630.500.450.631.070.551.380.601.110.491.21
2-OXOADIPATEME6587710.970.990.930.771.03NA0.941.481.18NA0.781.681.390.800.651.330.860.91
PANTOTHENIC ACIDME6590600.580.491.191.421.230.900.630.341.251.120.191.630.741.631.210.511.281.55
GUANOSINEME6589550.860.721.421.021.300.840.050.271.021.311.060.570.791.330.910.561.401.51
INOSINEME6589810.950.641.551.041.260.810.100.300.881.201.040.530.691.330.710.561.521.53
GLUCURONOLACTONEME6589430.771.161.360.511.710.81NA1.250.770.371.330.641.240.720.851.221.350.85
HYPOXANTHINEME6589751.400.981.060.911.991.110.280.601.290.941.230.420.850.501.271.620.830.37
GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*)ME6589511.021.220.750.811.091.030.462.040.971.560.460.981.261.130.830.821.010.62
DIHEXOSEME6589151.421.480.750.561.241.020.891.380.610.650.600.481.460.761.771.150.540.70
GLYCOCHENODEOXYCHOLATE / GLYCODEOXYCHOLATE (*)ME6589491.111.370.660.602.320.860.681.690.741.320.620.551.090.681.391.280.770.55
TAUROCHENODEOXYCHOLATE (*)ME6591101.061.260.830.672.000.960.511.111.021.790.470.770.920.591.421.000.810.78
BOC-MET-OHME6588730.580.860.771.060.980.820.950.991.010.721.622.250.731.071.811.131.021.13
OROTATEME6590491.000.800.950.970.870.721.031.351.150.992.051.450.970.910.850.830.731.22
N-ACETYLNEURAMINATEME6590200.670.601.421.130.550.160.260.541.261.521.520.800.581.600.861.620.991.27
5-AMINOLEVULINIC ACIDME6588190.540.511.331.041.150.59NA1.041.261.080.821.230.681.081.241.820.251.00
HEPTANOIC ACIDME6589620.730.911.071.210.740.880.221.021.031.320.811.770.971.210.991.161.120.88
PHOSPHOCREATINEME6590680.750.851.251.171.010.82NA0.871.701.351.491.320.641.021.000.920.741.07
DODECENOATE (*)ME6589270.840.861.351.371.010.791.050.701.541.720.791.300.590.660.550.660.930.83
O-ACETYL-L-CARNITINEME6590390.810.541.230.870.620.75NA0.911.061.410.901.191.06NA0.620.731.271.20
2-HYDROXYBUTYRIC ACIDME6587670.820.820.921.140.810.700.690.701.021.120.851.160.770.930.852.270.800.86
4-HYDROXYBENZALDEHYDEME6588121.171.040.880.860.580.970.680.330.990.820.910.651.180.810.771.990.900.90
4-ANDROSTEN-3BETA,17BETA-DIOL DISULFATE (*)ME6588040.470.830.601.020.680.520.370.880.810.670.471.121.121.261.201.681.251.78
INDOLE-3-ACETIC ACIDME6589780.770.800.920.920.660.720.430.720.800.650.810.840.821.091.641.501.391.55
ANDROSTERONE SULFATE (*)ME6588480.461.270.641.460.690.510.751.010.810.621.021.221.251.490.771.090.911.07
INDICANME6589760.761.011.301.170.540.700.590.810.660.670.950.960.951.350.940.841.211.25
PREGN STEROID MONOSULFATE (*)ME6590740.790.830.981.230.430.510.590.700.770.551.040.960.831.210.571.461.371.52
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATEME6588010.591.020.811.330.440.450.480.820.600.630.831.040.911.190.951.391.261.45
DEHYDROISOANDROSTERONE 3-SULFATEME6589080.571.030.791.250.430.440.470.800.550.610.800.980.891.140.921.451.291.30
4-HYDROXYPHENYLACETATEME6588130.670.961.131.091.210.800.481.011.060.90NA0.951.360.761.070.611.061.15
OPHTHALMIC ACIDME6590470.820.701.291.330.800.68NA0.850.970.86NA0.950.881.180.680.841.100.91
DODECANEDIOATE (*)ME6589260.931.040.951.011.181.08NA1.181.161.32NA1.020.880.970.840.730.901.14
N6-(DELTA2-ISOPENTENYL)-ADENINEME6590301.051.021.101.061.011.00NA1.040.651.03NA1.190.991.170.850.790.831.10
3-DEHYDROSHIKIMATEME6587860.741.020.991.051.001.31NA0.510.650.971.080.841.010.631.710.971.051.01
RAFFINOSEME6590870.991.080.871.020.980.91NA0.941.010.880.831.001.010.841.231.110.990.97
TRYPTOPHANAMIDEME6591251.011.011.020.960.921.06NA1.021.080.951.031.001.000.810.970.950.961.14
S-ADENOSYL-L-HOMOCYSTEINEME6590921.001.030.731.050.921.14NA0.780.980.69NA1.201.181.241.261.261.210.76
(S)-DIHYDROOROTATEME6587541.181.160.830.811.031.41NA0.900.530.610.411.041.640.851.361.101.091.01
N-ACETYL-L-CYSTEINEME6590161.321.060.960.851.381.051.500.650.781.460.930.671.410.881.310.861.610.61
HEXADECANEDIOATE (*)ME6589641.820.831.001.040.680.660.680.780.990.901.011.051.091.700.880.900.910.83
1-AMINOCYCLOPROPANE-1-CARBOXYLATEME6587571.390.97NA0.961.100.990.800.991.430.970.771.100.861.331.140.890.860.81
SHIKIMATEME6591011.761.000.700.780.771.361.020.831.271.700.730.900.951.201.051.320.790.92
HEXURONIC ACIDME6589670.951.000.811.071.181.240.971.110.810.380.951.151.271.150.151.041.330.71
PHENYLACETATE (*)ME6590631.661.080.800.801.031.020.481.120.540.761.451.101.050.710.901.051.470.70
ROSMARINIC ACIDME6590910.990.871.330.940.770.701.260.870.740.660.190.791.251.131.560.681.281.23
3-SULFINO-L-ALANINEME6587990.930.970.701.080.670.821.121.190.900.691.431.131.37NA0.721.261.311.00
BOC-ALA-OHME6588670.990.971.060.980.941.000.890.960.950.981.030.971.02NA0.981.200.971.03
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATEME6588350.790.901.390.930.820.901.160.611.490.960.550.670.691.211.060.941.061.07
NONANOATEME6590370.750.721.401.221.270.610.950.871.200.710.531.270.871.560.720.711.001.16
CINNAMOYLGLYCINE (*)ME6588880.981.100.850.951.061.120.901.09NA0.900.850.910.990.911.270.960.940.91
3-HYDROXY-DL-KYNURENINEME6587880.580.731.251.081.011.181.901.270.951.080.780.941.020.850.851.040.980.80
AZELAIC ACIDME6588580.740.871.191.160.830.881.811.010.841.070.630.970.930.831.271.051.041.05
CAPRYLIC ACIDME6588790.951.061.111.091.010.781.551.001.140.950.851.170.930.990.900.820.930.91
HYDROXYDECANOATE (*)ME6589720.951.250.921.040.810.571.611.240.990.810.901.151.250.920.731.280.880.72
4-PYRIDOXATEME6588151.071.111.130.980.600.701.331.040.720.860.760.800.960.941.091.031.001.15
CATECHOLME6588811.101.580.900.780.810.661.541.230.560.970.760.841.090.680.841.130.910.82
PANTOATEME6590590.881.050.740.781.270.790.901.230.860.701.381.521.160.981.051.051.251.10
ANILINE-2-SULFONIC ACIDME6588491.220.990.970.780.780.961.201.410.980.700.791.661.000.800.931.171.080.70
GLUTAMIC ACIDME6589440.720.800.961.080.780.761.081.340.790.800.821.410.951.171.411.131.231.05
CHOLATEME6588831.530.961.000.830.800.730.741.310.760.810.551.090.911.021.440.861.101.05
CYSTATHIONINEME6589001.531.220.900.891.271.270.991.180.890.890.970.800.900.860.671.130.760.72
DEOXYRIBOSEME6589101.101.090.810.831.261.251.191.040.880.460.860.891.070.871.331.400.920.93
OCTADECANEDIOATE (*)ME6590431.281.350.930.751.091.051.391.240.710.690.600.981.340.831.141.120.760.73
3-METHOXY-L-TYROSINEME6587930.951.080.930.931.251.171.441.121.161.261.331.021.100.980.950.880.790.83
N-ACETYL-L-PHENYLALANINEME6590180.851.000.900.831.161.321.131.301.071.031.061.531.321.061.041.040.870.76
CHOLESTEROL (*)ME6588840.890.920.641.051.010.961.131.190.980.870.551.071.371.210.841.231.201.07
N-ACETYLGLYCINEME6590191.101.071.080.990.981.131.360.891.050.990.330.921.250.910.860.890.960.89
ORNITHINEME6590480.981.041.090.980.890.921.011.121.020.92NA1.031.071.011.150.890.990.92
CITRATEME6588911.040.771.200.941.140.970.750.961.531.290.811.040.740.781.290.911.250.83
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDME6588070.910.641.001.080.660.760.580.751.251.180.810.901.050.951.331.281.151.34
3-(2-HYDROXYPHENYL)PROPANOATEME6587831.110.850.890.791.061.090.460.621.211.170.710.731.190.851.231.061.381.19
HYDROXYISOVALERATE (*)ME6589731.110.791.270.940.921.050.560.731.061.070.650.901.081.231.070.851.081.12
ERYTHRITOLME6589301.241.170.780.921.191.050.780.880.710.900.540.741.250.851.011.100.940.94
PYRUVATEME6590850.921.101.030.891.320.801.000.980.850.870.740.831.120.780.911.200.941.17
ASPARTATEME6588570.900.930.891.071.081.050.941.181.050.910.601.191.000.821.511.120.960.88
XANTHINEME6591360.931.020.881.000.991.271.131.141.120.980.741.261.100.821.231.060.930.82
ACONITATE (*)ME6588321.190.940.940.881.151.040.751.011.220.920.690.941.150.591.670.951.170.84
ADENINEME6588331.071.000.931.011.271.170.541.010.960.980.720.910.980.811.351.100.930.90
4-VINYLPHENOL SULFATE (*)ME6588161.201.011.090.831.200.760.721.160.980.781.150.831.070.731.271.071.050.96
MELATONINME6589991.180.940.841.060.970.891.140.870.950.850.760.881.010.901.151.511.130.86
THREONATE (*)ME6591170.890.970.951.040.971.081.011.070.940.890.850.941.070.911.211.380.980.88
(S)-LACTATEME6587550.890.990.890.930.920.980.930.981.000.941.110.940.990.950.951.570.961.03
LACTATE (*)ME6589871.031.020.880.890.981.030.980.970.890.881.000.851.070.931.001.490.971.00
MYO-INOSITOLME6590051.031.020.900.911.051.040.970.970.870.940.890.871.060.920.981.420.960.99
3-METHYL-2-OXINDOLEME6587951.000.970.971.001.070.770.540.901.011.071.141.010.960.851.171.051.021.13
ALPHA-KETO-GLUTARATEME6588410.970.941.131.130.960.770.600.841.011.091.020.930.931.131.070.910.871.09
CITRULLINEME6588921.071.040.980.881.131.030.761.040.860.760.820.941.200.951.211.101.050.95
TAURINEME6591090.951.050.841.020.991.100.821.071.010.820.810.961.291.011.250.991.010.95
PHENYLALANINEME6590640.981.090.910.941.011.110.931.150.920.990.860.951.080.891.191.070.900.98
PROLINEME6590771.001.150.810.891.081.091.141.250.830.760.830.911.150.941.191.041.021.00
7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*)ME6588290.760.920.840.971.111.100.750.921.181.130.760.981.271.111.041.071.121.11
PYRIDINE-2,3-DICARBOXYLATEME6590820.930.970.790.961.091.110.840.931.120.970.811.151.091.011.101.091.101.05
3-(4-HYDROXYPHENYL)LACTATEME6587841.120.851.160.910.991.030.770.881.071.100.881.020.850.900.960.981.081.15
KYNURENINEME6589860.950.911.111.150.830.920.800.880.951.031.011.060.730.941.020.961.061.11
SERINEME6591001.150.980.970.950.930.971.111.061.010.870.780.961.101.080.911.160.920.97
PENTITOLME6590611.030.831.091.100.850.861.011.080.941.051.041.100.980.891.201.041.001.00
AMINOHYDROXYBUTANOIC ACIDME6588450.970.911.170.971.021.100.961.041.041.061.191.120.960.860.951.021.050.91
5-OXO-PROLINEME6588230.900.940.950.960.940.971.021.050.990.990.941.061.051.051.111.211.001.03
ISOLEUCINE/LEUCINE (*)ME6589850.871.000.880.961.011.080.881.020.960.990.960.971.020.931.161.171.031.09
TRYPTOPHAN (*)ME6591240.870.990.961.000.951.050.841.070.880.921.041.031.031.061.131.081.031.04
METHIONINEME6590010.961.001.020.980.971.061.081.040.961.021.231.021.071.000.980.950.971.03
GLUTAMINEME6589451.021.001.020.931.020.960.920.971.010.960.981.021.141.030.971.060.961.02
BOC-ASP-OHME6588700.930.930.981.041.010.900.931.001.061.081.000.970.940.981.091.120.971.03
AMINOPENTANOIC ACIDME6588460.890.990.961.040.971.020.931.000.991.021.011.040.950.941.051.041.011.07
5-HYDROXYINDOLE-3-ACETIC ACIDME6588211.010.991.010.991.000.990.940.961.011.011.060.960.981.030.991.060.991.00
BOC-PHE-OHME6588741.011.001.000.981.000.990.930.971.011.001.040.950.991.020.991.100.990.99
[C13] VALINEME6591441.021.011.010.991.000.951.011.021.020.981.011.021.030.981.001.001.000.97
[C13] METHIONINEME6591411.001.011.011.011.000.981.021.001.011.001.011.041.020.991.010.970.990.98
[C13] TYROSINEME6591431.011.011.031.001.000.951.021.001.030.981.011.041.010.981.020.971.000.98
[C13] PHENYLALANINEME6591420.951.011.021.030.940.971.021.001.051.031.031.061.020.981.071.000.950.96
5,6-DIHYDROURACILME6588170.960.971.011.020.990.960.991.011.021.031.061.040.991.011.041.030.971.01
BOC-ASNME6588680.970.981.011.000.990.970.971.021.031.031.051.011.001.001.051.020.961.00
BOC-ASN-OHME6588690.970.981.011.000.990.970.971.021.031.031.051.011.001.001.051.020.961.00
THYROXINEME6591210.961.010.980.971.051.070.740.971.041.070.950.861.070.931.051.031.011.04
URATEME6591280.850.920.910.971.051.020.870.891.061.030.990.931.021.101.131.081.141.15
CYS-GLYME6588991.180.971.000.910.880.830.820.971.001.080.781.091.201.081.101.081.280.88
4-AMINOBENZOATEME6588031.040.911.031.070.960.890.901.071.191.090.950.780.900.811.301.041.040.94
SUCCINATEME6591071.000.851.000.880.961.020.781.001.000.970.921.070.980.851.201.281.111.10
MALATEME6589971.210.891.080.911.000.890.740.911.071.010.610.891.000.831.361.141.040.96
FUMARIC ACIDME6589381.060.871.130.990.840.870.760.921.051.060.730.990.960.941.271.061.031.08
N-ACETYL-L-ASPARTIC ACIDME6590151.080.751.151.050.880.900.810.981.060.980.711.021.031.031.251.161.020.96
ETHYLENEDIAMINETETRAACETIC (EDTA) ACIDME6589330.981.050.941.110.881.050.920.970.871.280.961.280.880.930.781.020.910.94
GLYOXYLATEME6589530.880.801.191.210.870.800.751.001.141.280.711.170.821.170.990.790.961.05
URIDINEME6591290.790.861.121.100.900.810.880.861.021.181.111.240.941.100.980.891.151.09
3-HYDROXYBENZALDEHYDEME6587901.141.081.130.891.030.930.830.620.921.010.581.080.710.960.861.281.060.94
GLYCERIC ACIDME6589471.191.100.800.901.200.840.820.840.841.001.131.040.810.731.041.520.830.85
OXALATEME6590500.691.171.170.991.180.81NA1.211.110.890.850.810.700.612.111.350.800.71
3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATEME6587851.330.961.470.950.600.940.521.040.661.081.121.050.250.220.891.281.101.12
2`-DEOXYURIDINE 5`-TRIPHOSPHATEME6587791.131.081.050.771.011.10NA0.960.881.400.940.77NA0.980.721.061.150.72
LAUROYLCARNITINEME6589891.211.131.361.220.790.97NA0.970.550.720.621.070.230.911.110.830.820.65
THYROTROPIN RELEASING HORMONEME6591200.841.120.921.000.881.23NA0.820.860.940.680.81NA0.881.730.980.840.85
PTERINME6590790.981.030.890.750.90NANA1.251.45NANA0.671.15NA1.04NA0.661.11
CYTIDINE 5`-DIPHOSPHATEME6589040.630.861.090.811.02NA0.820.72NA1.28NANA1.031.221.480.951.281.22
6-CARBOXYHEXANOATEME6588261.001.001.021.070.94NANA1.241.181.03NANA0.960.521.130.810.890.89
N-ALPHA-ACETYL-L-LYSINEME6590231.160.911.010.921.10NANA0.820.960.85NANA1.030.871.291.150.780.94
LIGNOCERIC ACIDME6589910.870.524.320.590.280.450.57NANANANA0.620.67NANA1.72NA5.71
HYDROXYACETAMINOPHEN SULFATE (*)ME6589701.130.032.310.040.010.850.030.040.034.850.040.220.020.010.034.251.392.33
P-ACETAMIDOPHENYLGLUCURONIDE (*)ME6590522.090.022.690.030.020.070.030.050.010.360.020.240.020.020.014.260.772.47

Factors:

F1Gender:Female | OSA:Negative | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP
F2Gender:Female | OSA:Negative | Sampling:After SWS onset | PCOS:PCOS | CPAP:No CPAP
F3Gender:Female | OSA:Negative | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP
F4Gender:Female | OSA:Negative | Sampling:Morning fasting | PCOS:PCOS | CPAP:No CPAP
F5Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:After CPAP
F6Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP
F7Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:PCOS | CPAP:After CPAP
F8Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:PCOS | CPAP:No CPAP
F9Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:After CPAP
F10Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP
F11Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:PCOS | CPAP:After CPAP
F12Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:PCOS | CPAP:No CPAP
F13Gender:Male | OSA:Negative | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP
F14Gender:Male | OSA:Negative | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP
F15Gender:Male | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:After CPAP
F16Gender:Male | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP
F17Gender:Male | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:After CPAP
F18Gender:Male | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP
Data matrix
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