Clustering data with hclust algorithm for (Study ST000692)

(Analysis AN001069)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-ME1931381.371.33NANANA1.37NA0.250.410.71NANA0.39NA1.260.41NANANANA1.130.591.501.141.611.16NANANA0.41NA0.58NA
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-ME1930060.00NA0.511.490.020.222.24NA1.910.011.58NA1.811.32NA1.08NANANANANANANANA0.00NA1.001.51NANA0.85NA0.98
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-ME1933290.52NA0.340.33NA0.571.341.111.510.620.350.330.590.99NA0.56NANANANANA0.530.37NANA0.452.574.173.780.780.79NA0.84
NICOTINATE (CAS# 59-67-6); (M-H)-ME1932440.560.551.110.920.941.011.58NA1.99NA0.92NA0.021.281.011.76NANANANA0.970.751.140.641.110.911.600.191.291.97NANA0.99
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-ME1931130.540.570.960.681.900.760.700.701.981.452.441.300.981.041.150.97NANANANA1.170.900.990.960.750.670.770.690.720.881.010.750.75
GUANINE (CAS# 73-40-5); (M-H)-ME1931401.781.89NA0.44NA1.330.990.700.77NA1.06NA0.81NA0.56NANANANANA0.851.630.370.63NA1.390.510.460.66NA0.40NA0.63
D-TAGATOSE (CAS# 87-81-0); (M+CL)-ME1930722.322.48NA2.390.251.250.190.210.26NA0.190.050.240.161.610.14NANANANA2.091.48NA1.981.501.920.180.24NA0.210.18NA0.16
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]ME1931191.081.080.730.87NA0.880.000.530.440.080.70NA0.891.431.281.33NANANANA1.281.271.101.30NA1.301.211.331.220.081.29NA1.27
PHENYLALANINE (CAS# 63-91-2); (M-H)-ME1932710.520.590.491.040.220.160.830.930.841.211.171.081.441.610.781.40NANANANA0.770.800.120.791.020.831.541.561.441.851.98NA1.37
SUCCINATE (CAS# 110-15-6); (M-H)-ME1933131.171.111.040.760.581.011.811.680.620.760.580.460.680.811.180.74NANANANA1.020.971.091.171.231.032.161.780.850.920.71NA0.89
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-ME1931172.452.012.97NA2.900.840.530.440.490.420.450.500.470.650.320.45NANANANA0.852.21NANANANA0.440.540.480.510.510.510.47
PTERIN (CAS# 2236-60-4); (M-H)-ME1932810.95NA1.09NA1.38NANA0.770.87NANANANA0.771.931.23NANANANA0.34NA1.940.640.490.410.761.481.32NA1.20NA1.03
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-ME1930403.691.541.020.063.252.140.080.182.380.180.680.131.340.371.550.36NANANANA1.811.360.200.090.911.200.080.090.240.030.100.030.03
STEARATE (CAS# 57-11-4); (M-H)-ME1933111.850.591.760.5910.881.100.330.350.770.680.950.831.160.550.530.57NANANANA0.800.561.040.660.490.520.350.310.310.400.580.390.49
MELIBIOSE (CAS# 585-99-9); (M+CL)-ME1932060.630.211.070.270.38NANANANANA2.22NA2.05NA2.121.34NANANANANA0.130.95NA0.380.64NA1.411.131.531.10NA1.07
MALTOSE (CAS# 69-79-4); (M+CL)-ME1932010.630.211.070.270.38NANANANANA2.22NA2.05NA2.111.34NANANANANA0.130.95NA0.380.64NA1.411.131.531.10NA1.07
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-ME1931820.350.400.230.400.220.36NA4.995.572.81NA3.022.930.770.130.97NANANANA0.170.220.200.180.190.180.931.040.84NANA0.591.33
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-ME1931661.311.181.360.251.261.261.181.021.141.071.141.091.121.060.390.91NANANANA0.781.090.610.620.650.940.971.020.941.040.921.000.98
LAURIC ACID (CAS# 143-07-7); (M-H)-ME1931860.830.801.57NA5.261.061.06NA2.101.701.201.631.140.480.940.78NANANANA0.880.510.760.700.510.46NA0.28NA0.550.520.400.51
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-ME1930980.970.931.300.131.940.981.030.881.021.071.091.171.081.071.100.88NANANANA1.031.031.221.121.170.830.820.880.800.920.930.850.96
GLUTARATE (CAS# 110-94-1); (M-H)-ME1931310.340.300.500.264.790.200.100.110.365.480.650.330.360.150.310.23NANANANANA0.460.53NA3.170.370.320.720.187.650.540.830.55
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-ME1933303.681.541.020.063.252.140.080.182.380.180.680.131.340.371.550.36NANANANA1.811.360.200.090.911.200.080.090.240.030.100.030.03
PALMITATE (CAS# 57-10-3); (M-H)-ME1932620.600.591.100.691.460.860.680.672.351.682.081.481.041.041.170.96NANANANA1.250.831.081.060.760.630.720.650.680.841.040.700.71
EDTA (CAS# 60-00-4); (M-H)-ME1930960.96NANANANA0.311.43NANA1.26NA0.021.270.880.840.85NANANANA0.690.430.67NANA0.801.220.871.132.091.58NA1.63
LYSINE (CAS# 56-87-1); (M-H)-ME1931931.342.131.190.591.391.250.220.290.250.190.260.260.470.191.180.19NANANANA1.853.191.741.762.322.200.170.170.200.210.220.210.24
AZELAIC ACID (CAS# 123-99-9); (M-H)-ME1930152.131.641.520.691.801.410.620.670.810.740.810.600.730.830.550.45NANANANA0.971.951.370.891.111.080.520.430.560.410.540.590.67
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-ME1931060.871.241.020.340.920.87NANANANANANANANA0.790.16NANANANA1.292.071.361.262.051.49NA0.24NA0.250.19NA0.31
PENTANOATE (CAS# 109-52-4); (M+HCOO)-ME1932680.870.680.680.331.180.820.640.650.601.020.890.720.91NA0.870.96NANANANA1.031.341.040.981.521.161.111.091.061.581.62NA1.32
URIDINE (CAS# 58-96-8); (M-H)-ME1933471.030.751.501.400.411.110.370.890.60NANANA0.391.560.451.44NANANANA1.500.382.141.80NA1.800.410.32NANANANANA
OLEIC ACID (CAS# 112-80-1); (M-H)-ME1932503.681.541.020.063.252.140.080.182.380.180.680.131.340.371.550.36NANANANA1.811.360.200.090.911.200.080.090.240.030.100.030.03
CITRATE (CAS# 77-92-9); (M-H)-ME1930441.111.090.830.39NA1.040.900.640.78NA0.83NA0.891.091.311.09NANANANA1.311.361.141.34NA1.441.111.050.960.041.030.021.05
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-ME1929750.77NA0.170.24NA0.470.862.222.92NA0.220.470.450.13NA0.11NANANANANANA0.560.78NA1.22NANA7.41NA0.38NA0.70
CITRAMALATE (CAS# 2306-22-1); (M-H)-ME1930430.562.050.201.090.301.210.17NA0.220.551.210.531.410.250.130.29NANANANA0.411.250.24NANA0.600.19NA0.210.233.090.043.50
TRYPTOPHAN (CAS# 73-22-3); (M-H)-ME1933360.930.591.020.611.330.850.831.090.931.10NA0.900.231.501.181.36NANANANA0.960.541.101.331.300.821.401.391.351.48NA1.17NA
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-ME1930930.510.460.38NA0.661.28NA1.415.642.131.841.161.390.26NA0.26NANANANANANANANANANANA0.170.250.300.310.270.32
UROCANATE (CAS# 104-98-3); (M-H)-ME1933491.511.200.370.710.291.900.400.340.32NANANA0.71NA0.09NANANANANA1.551.630.130.19NA1.84NANANANANANA0.19
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-ME1930532.131.641.550.691.801.410.620.670.810.740.810.600.720.830.540.44NANANANA0.971.951.370.891.111.080.520.430.560.410.540.590.67
ASPARTATE (CAS# 56-84-8); (M-H)-ME1930141.601.392.307.970.401.230.240.620.50NA0.380.160.27NA0.64NANANANANA0.730.51NA1.150.27NANA0.240.25NANA0.120.19
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-ME1932171.953.24NANANA1.210.450.070.08NA0.600.120.740.46NA0.83NANANANA0.631.600.23NANA1.170.990.210.260.261.580.221.34
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-ME1929621.101.110.930.381.160.771.070.941.441.281.140.961.101.340.600.85NANANANA0.831.041.310.690.540.801.09NA1.520.631.190.881.01
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)-ME1931600.850.750.511.27NA0.811.241.61NA0.740.430.561.16NA1.410.45NANANANA0.84NA0.621.20NA0.91NANANANA2.56NANA
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-ME1932632.980.823.560.149.270.550.140.084.080.500.640.500.630.341.840.42NANANANA0.440.280.580.280.520.110.07NA0.26NA0.170.090.12
LEUCINE (CAS# 328-39-2); (M-H)-ME1931871.311.861.080.441.591.280.250.290.290.390.48NA0.580.401.250.42NANANANA1.462.211.551.642.021.680.570.550.530.600.500.040.69
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-ME1931011.121.031.220.351.571.130.820.930.850.891.480.161.410.95NA0.45NANANANA1.090.411.40NA0.56NA1.310.131.071.351.75NANA
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-ME1930114.170.783.280.343.211.73NANANA0.810.710.493.250.160.290.13NANANANA0.260.300.460.38NA0.330.140.160.130.270.200.150.16
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-ME1932292.662.721.960.820.552.48NANA0.05NANA0.010.07NA0.320.02NANANANA1.330.840.880.260.181.13NA0.010.020.03NANANA
D-PSICOSE (CAS# 551-68-8); (M+CL)-ME1930712.472.46NA2.370.251.240.190.200.26NA0.190.050.240.151.590.14NANANANA2.071.46NA1.971.481.910.180.23NA0.210.17NA0.16
THYMIDINE (CAS# 50-89-5); (M-H)-ME1933240.960.910.610.240.500.650.380.791.80NA0.12NANA3.920.833.59NANANANA1.140.310.680.81NA0.44NA1.93NANANANANA
DIACETYL (CAS# 431-03-8); (M+HCOO)-ME1930890.280.25NA0.213.92NA0.08NA0.294.490.530.270.160.12NA0.41NANANANANA0.390.43NA2.150.300.270.570.426.29NANA0.46
ADENOSINE (CAS# 58-61-7); (M+HCOO)-ME1929961.410.350.982.770.731.061.173.400.340.120.430.590.95NA4.74NANANANANA0.12NANA0.26NANA0.04NANANANA0.21NA
PANTOTHENATE (CAS# 79-83-4); (M+CL)-ME1932640.060.100.060.09NANA1.251.121.141.180.961.131.171.49NA1.43NANANANANANA0.030.02NA0.061.571.431.281.461.931.071.92
XANTHOSINE (CAS# 146-80-5); (M-H)-ME1933541.150.375.810.190.516.310.220.520.49NA1.140.191.210.260.280.25NANANANA0.46NA0.200.500.020.36NA0.240.08NA0.270.340.33
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-ME1930991.051.001.210.171.541.001.130.961.121.121.091.101.061.021.020.86NANANANA0.950.981.101.051.150.900.880.940.870.970.930.930.97
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-ME1931651.901.292.13NA1.931.620.910.650.830.750.910.890.950.870.340.53NANANANA0.971.350.680.650.691.160.620.730.630.780.590.680.63
SERINE (CAS# 56-45-1); (M-H)-ME1933031.471.480.672.670.441.020.310.300.45NA0.11NA0.200.401.810.47NANANANA1.991.130.812.771.051.280.330.640.50NANANANA
PHYTANATE (CAS# 14721-66-5); (M-H)-ME1932752.081.201.390.506.342.27NANANANA0.68NA4.140.200.360.26NANANANA0.480.510.580.47NA0.470.180.200.170.340.280.190.19
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-ME1929810.751.230.230.101.170.993.08NA0.81NA1.110.880.95NA0.07NANANANANA0.610.700.66NANA0.621.09NA1.121.391.661.351.41
SEBACIC ACID (CAS# 111-20-6); (M-H)-ME1933021.581.340.950.481.201.130.760.630.830.950.730.530.740.940.790.51NANANANA1.002.041.310.851.041.550.900.730.770.810.680.780.83
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-ME1931110.290.25NA0.224.06NA0.08NA0.304.640.550.280.170.13NA0.20NANANANANA0.410.45NA2.680.310.270.610.156.480.29NA0.47
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-ME1931163.002.103.51NA3.211.480.210.160.210.190.170.220.21NANANANANANANANA1.22NANANANANANANA0.280.150.270.15
TYROSINE (CAS# 60-18-4); (M-H)-ME1933371.111.640.922.182.540.820.360.420.720.790.380.510.260.430.620.40NANANANA1.441.891.010.843.031.460.400.410.591.38NANA0.23
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-ME1930080.540.570.960.681.900.760.700.701.981.452.441.300.981.041.150.97NANANANA1.160.900.990.960.750.670.770.690.720.881.020.750.75
PYRUVATE (CAS# 127-17-3); (M-H)-ME1932840.300.540.080.11NA0.490.561.550.79NA0.59NA0.612.640.502.89NANANANA0.060.600.020.010.120.412.040.501.452.753.46NA3.27
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-ME193145NA1.430.90NANA0.970.02NA0.58NA0.09NA0.06NA0.41NANANANANA1.892.271.711.43NA1.940.23NANANA0.330.430.64
CELLOBIOSE (CAS# 528-50-7); (M+CL)-ME1930340.630.211.070.270.38NANANANANA2.22NA2.05NA2.121.34NANANANANA0.130.95NA0.380.64NA1.411.131.531.10NA1.07
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-ME1930410.370.270.461.050.410.383.263.023.231.682.851.882.290.930.091.13NANANANA0.11NA0.08NA0.110.120.730.980.840.560.480.450.70
LANTHIONINE (CAS# 3183-08-2); (M-H)-ME1931850.08NA0.09NA0.120.411.04NA0.08NA1.374.591.321.02NA1.04NANANANANANA0.07NA0.310.110.560.670.82NA1.284.851.18
SUBERIC ACID (CAS# 505-48-6); (M-H)-ME1933121.151.031.260.541.441.061.051.011.421.251.270.921.001.220.520.74NANANANA0.751.121.310.680.780.790.990.640.990.720.851.001.23
L-ORNITHINE (CAS# 70-26-8); (M-H)-ME1931770.380.431.940.482.760.430.390.390.740.32NA0.710.09NANANANANANANA1.130.603.91NA4.971.360.310.340.830.53NA0.680.11
DECANOATE (CAS# 334-48-5); (M-H)-ME1930740.690.801.44NANA1.030.94NANANA0.911.861.141.391.201.16NANANANA0.860.76NA1.680.970.740.510.56NA0.981.500.880.73
LINOLEATE (CAS# 60-33-3); (M-H)-ME1931902.811.531.810.072.282.000.100.313.380.240.560.231.010.321.520.32NANANANA1.851.341.570.151.221.220.150.090.350.010.090.030.01
PALATINOSE (CAS# 343336-76-5); (M+CL)-ME1932600.620.211.070.270.38NANANANANA2.22NA2.05NA2.121.34NANANANANA0.130.95NA0.380.64NA1.411.131.531.10NA1.07
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-ME1932181.691.530.801.352.171.210.282.850.39NA0.41NA0.65NA0.94NANANANANA0.951.320.911.141.331.050.29NANA0.400.38NA0.38
ISOCITRATE (CAS# 320-77-4); (M-H)-ME1931621.051.000.710.78NA0.850.421.380.420.000.68NA0.861.381.241.29NANANANA1.251.231.081.26NA1.261.181.301.180.081.25NA1.22
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-ME1930811.570.991.270.49NA1.090.850.861.390.760.901.080.900.671.270.66NANANANA1.191.311.201.221.331.190.760.650.770.660.770.590.80
METHYLMALONATE (CAS# 516-05-2); (M-H)-ME1932111.171.101.050.760.581.011.801.680.620.740.580.460.680.821.180.74NANANANA1.030.971.091.171.241.032.151.780.850.920.71NA0.90
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-ME1929771.091.381.590.281.551.610.730.600.860.110.530.851.322.05NA0.34NANANANA0.040.10NA0.04NA3.053.231.171.340.450.441.930.42
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-ME1929841.362.241.290.671.431.190.400.380.41NA0.66NA0.70NA0.390.57NANANANA0.982.181.051.500.561.170.350.100.660.690.90NA0.90
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-ME1930383.110.640.550.024.422.350.06NA0.040.032.310.022.71NA0.03NANANANANA0.090.060.070.020.030.07NANANANA0.04NANA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-ME1929760.76NA0.160.24NA0.470.882.192.88NA0.220.460.440.13NA0.11NANANANANANA0.560.77NA1.20NANA7.29NA0.37NANA
GLUCOSE (CAS# 50-99-7); (M+CL)-ME1931252.322.48NA2.390.251.250.190.210.26NA0.190.050.240.161.610.14NANANANA2.091.47NA1.981.501.920.180.24NA0.210.18NA0.16
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)-ME1932510.852.691.08NANA0.700.750.40NANANA0.790.560.670.67NANANANANA0.581.231.801.20NA0.73NA1.091.740.680.631.000.90
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-ME1932140.180.510.350.55NANANANANANANANANA2.660.022.25NANANANA0.120.210.050.160.010.112.223.012.48NA1.97NA1.83
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M-H)-ME1932410.100.550.100.100.580.770.890.921.333.754.460.680.81NANANANANANANANANANANA0.10NA0.440.42NA0.640.870.170.79
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)-ME1932780.711.38NA0.190.740.72NANANA0.380.17NA0.610.510.55NANANANANA1.013.130.870.951.371.39NANANANA0.40NA0.28
MYRISTIC ACID (CAS# 544-63-8); (M-H)-ME1932120.540.431.230.233.380.840.300.2814.181.371.681.640.670.390.490.47NANANANA0.450.370.510.530.360.260.250.240.730.390.300.400.29
INOSINE (CAS# 58-63-9); (M-H)-ME1931581.460.331.991.360.321.000.301.000.19NA0.10NA0.422.56NA2.34NANANANA1.580.002.921.460.011.53NA0.24NANANANANA
MALATE (CAS# 97-67-6); (M-H)-ME1931960.550.891.000.411.270.920.430.241.00NA0.99NA1.120.760.310.82NANANANA0.561.130.500.281.540.880.850.521.003.271.92NA1.94
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-ME1929881.421.530.681.320.071.310.880.870.93NA0.78NA1.020.750.910.75NANANANA1.081.160.781.18NA1.180.740.690.83NA0.92NA0.91
D-LYXOSE (CAS# 1114-34-7); (M-H)-ME193068NA1.100.100.060.050.05NA0.020.03NA0.05NA0.045.14NA4.52NANANANANA1.30NANANA1.240.030.050.056.66NANA0.06
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]ME1930051.500.910.760.791.761.220.951.111.050.171.281.041.271.101.401.00NANANANA0.820.890.770.601.300.811.120.900.900.780.48NA1.00
SALICYLATE (CAS# 69-72-7); (M-H)-ME1933000.761.120.53NA0.701.080.560.760.681.170.761.291.081.910.231.49NANANANA0.280.660.390.300.330.331.681.711.642.251.792.201.47
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-ME1929322.150.714.230.514.982.220.030.10NA2.743.062.082.810.060.300.11NANANANA0.050.050.040.100.010.080.110.020.030.030.060.020.06
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-ME1929891.071.090.780.371.140.751.050.921.401.251.110.931.071.310.580.83NANANANA0.811.011.280.670.530.781.07NA1.480.721.160.861.45
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-ME1931181.141.281.270.251.121.211.361.221.351.281.281.291.271.250.351.07NANANANA0.440.680.420.450.480.471.141.221.131.221.071.191.14
HEPTADECANOATE (CAS# 506-12-7); (M-H)-ME1931461.010.451.560.405.050.980.290.331.321.694.651.061.120.520.640.61NANANANA0.700.520.660.670.440.380.350.290.330.390.770.400.41
VALINE (CAS# 72-18-4); (M-H)-ME1933521.502.111.270.631.341.170.380.410.39NA0.62NA0.68NA0.550.54NANANANA0.942.171.03NA1.241.180.330.450.620.700.84NA0.85
D-ORNITHINE (CAS# 348-66-3); (M-H)-ME1930700.380.431.950.492.770.430.390.390.780.32NA0.710.09NANANANANANANA1.130.613.92NA4.981.370.310.240.830.53NA0.640.11
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-ME1933480.630.840.50NA0.600.410.390.260.94NA0.330.451.013.130.103.02NANANANA0.931.421.050.601.671.04NA3.232.66NA0.540.510.59
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-ME1932261.524.550.25NA0.301.360.050.030.020.080.800.091.100.100.080.08NANANANA0.114.940.200.090.220.270.150.110.090.161.780.181.44
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-ME1930420.670.600.780.670.680.673.463.073.471.352.641.401.670.900.230.93NANANANA0.250.310.250.240.290.280.760.960.860.780.680.660.87
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-ME1929731.251.560.830.581.111.33NANANANANA0.46NANA0.54NANANANANA0.841.510.840.820.851.01NANANA0.810.690.50NA
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-ME1933350.920.58NA0.511.201.020.661.000.770.94NANANANA0.95NANANANANA0.84NA0.991.311.15NA1.291.281.231.38NA0.99NA
ELAIDIC ACID (CAS# 112-79-8); (M-H)-ME1930973.691.541.020.063.252.140.080.182.380.180.680.131.340.371.550.36NANANANA1.811.360.200.090.911.200.080.090.240.030.100.030.03
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-ME1933580.670.600.780.670.680.673.463.063.461.352.641.401.670.910.230.93NANANANA0.250.310.250.240.290.280.760.960.860.780.680.660.87
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-ME1932251.564.390.280.060.621.390.050.050.040.160.600.120.950.170.130.14NANANANA0.235.020.270.140.690.590.180.160.150.311.570.231.23
THYMIDINE (CAS# 50-89-5); (M+HCOO)-ME1933231.843.160.190.100.162.13NA0.120.27NANANA0.620.550.680.51NANANANA0.851.380.190.200.091.15NA0.29NANANANANA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-ME1929420.490.710.450.240.780.551.213.30NA0.94NANA0.600.930.50NANANANANA0.510.720.510.510.990.641.983.311.411.441.43NANA
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-ME1932270.170.480.330.53NANANANANANANANANA2.520.032.37NANANANA0.110.190.050.15NA0.102.102.852.35NA1.87NA1.73
LUMICHROME (CAS# 1086-80-2); (M-H)-ME1931922.512.932.260.284.362.630.470.250.081.091.550.681.580.120.030.06NANANANA0.170.43NA0.07NA0.180.130.070.100.200.720.190.59
NORLEUCINE (CAS# 327-57-1); (M-H)-ME1932471.311.861.080.441.591.280.250.290.280.390.48NA0.570.431.250.42NANANANA1.462.211.551.642.021.680.570.550.530.590.480.070.69
ISOLEUCINE (CAS# 73-32-5); (M-H)-ME1931631.291.851.070.141.581.270.260.290.290.220.45NA0.440.411.240.42NANANANA1.452.191.541.632.001.660.280.250.260.590.84NA0.74
MALATE (CAS# 97-67-6); (M-H)+[-H2O]ME1931950.270.351.260.071.030.830.410.261.171.951.25NA1.061.23NA1.09NANANANA0.150.470.120.07NA0.681.760.791.273.222.061.112.48
MANDELIC ACID (CAS# 611-71-2); (M-H)-ME1932030.510.830.230.540.460.580.730.910.771.340.85NA1.281.730.331.79NANANANA0.360.870.350.410.370.431.86NA1.602.032.161.352.23
L-HISTIDINE (CAS# 71-00-1); (M-H)-ME1931750.830.471.590.751.830.581.561.901.671.52NA1.400.030.920.600.93NANANANA0.860.621.000.952.030.951.091.181.181.29NA0.92NA
L-ARGININE (CAS# 74-79-3); (M-H)-ME1931680.560.03NA2.71NA0.111.061.17NANANANA0.040.962.831.10NANANANA1.670.17NA3.57NA0.820.841.12NANANANA0.04
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-ME1932193.271.53NA0.320.942.040.460.190.180.450.150.280.53NANANANANANANANA2.65NANA0.78NANANANA0.520.28NA0.46
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-ME1932160.180.500.320.55NANANANANANANANANA2.360.022.47NANANANA0.110.200.050.150.010.111.972.682.45NA1.94NA1.80
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-ME193294NA0.41NA0.562.45NA1.490.550.556.390.482.300.560.940.270.95NANANANANANA0.120.200.21NA0.860.480.920.85NA0.43NA
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-ME1933570.380.270.461.050.410.383.253.013.241.682.851.882.300.940.091.13NANANANA0.11NA0.08NA0.110.120.730.990.840.560.460.450.70
XANTHINE (CAS# 69-89-6); (M-H)-ME1933530.560.781.970.352.200.870.890.790.88NA2.130.001.020.550.530.49NANANANA0.570.820.020.572.890.670.890.670.87NA1.96NA1.35
PICOLINIC ACID (CAS# 98-98-6); (M-H)-ME1932760.690.510.950.370.911.001.52NA1.43NA0.98NANA1.260.891.61NANANANA0.890.761.351.021.091.011.470.191.281.67NANA0.89
PANTOTHENATE (CAS# 79-83-4); (M-H)-ME1932650.250.290.230.160.250.300.971.291.171.391.151.261.271.930.221.77NANANANA0.310.440.250.350.320.352.101.971.902.122.271.592.26
LACTOSE (CAS# 63-42-3); (M+CL)-ME1931830.630.211.070.270.38NANANANANA2.22NA2.05NA2.111.34NANANANANA0.130.95NA0.380.64NA1.411.131.531.10NA1.07
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-ME1930210.630.211.070.270.38NANANANANA2.22NA2.05NA2.121.34NANANANANA0.130.95NA0.380.64NA1.411.131.531.10NA1.07
CIS-ACONITATE (CAS# 585-84-2); (M-H)-ME1930390.60NA0.450.40NA0.691.541.281.730.760.500.380.440.95NA0.63NANANANANA0.600.46NANA0.522.95NA4.360.930.96NA1.00
FRUCTOSE (CAS# 57-48-7); (M+CL)-ME1931052.322.48NA2.390.251.250.190.210.26NA0.190.050.240.161.600.14NANANANA2.091.48NA1.981.501.920.180.24NA0.210.18NA0.16
ARACHIDONATE (CAS# 506-32-1); (M-H)-ME1930121.671.592.540.143.961.320.001.865.431.040.630.811.830.310.590.33NANANANA0.450.561.020.591.030.440.000.160.310.200.110.240.22
FUMARATE (CAS# 110-17-8); (M-H)-ME1931070.260.270.19NANA0.350.090.040.680.440.32NA0.251.84NA1.79NANANANA0.416.140.42NA4.680.640.11NA0.670.730.51NA0.64
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-ME1931500.440.931.630.920.440.750.720.440.311.932.082.162.101.371.000.25NANANANA0.361.110.940.930.470.721.071.070.821.011.190.911.05
ACETOACETATE (CAS# 541-50-4); (M-H)-ME1929920.692.430.64NANA1.480.67NA0.90NA0.120.790.882.090.151.73NANANANANA0.73NANANA0.450.291.571.050.731.41NA1.37
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-ME1930650.000.000.500.390.150.332.19NA1.872.181.56NA1.771.30NA1.06NANANANANANANANA0.00NA0.981.47NANA0.83NA0.94
HYPOXANTHINE (CAS# 68-94-0); (M-H)-ME1931510.951.390.490.381.520.950.62NA0.46NA1.54NA1.79NA0.100.23NANANANA0.761.880.300.491.931.171.740.550.60NA1.18NANA
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-ME1931260.000.000.521.530.160.342.30NA1.960.011.65NA1.871.36NA1.11NANANANANANANANA0.00NA1.021.55NANA0.88NA1.00
URSODIOL (CAS# 128-13-2); (M-H)-ME1933511.570.991.270.49NA1.090.850.861.390.760.901.080.900.671.270.66NANANANA1.191.311.201.221.331.190.760.650.770.660.770.590.80
SUCROSE (CAS# 57-50-1); (M+CL)-ME1933140.630.211.070.270.38NANANANANA2.22NA2.05NA2.111.34NANANANANA0.130.95NA0.380.64NA1.411.131.531.10NA1.07
DEOXYURIDINE (CAS# 951-78-0); (M-H)-ME1930861.670.741.140.30NA1.080.850.450.340.950.641.291.130.88NANANANANANA1.69NA1.851.21NA0.97NA0.680.24NA0.59NANA
PROPENOATE (CAS# 79-10-7); (M-H)-ME1932790.17NA0.14NANA0.35NANANA0.541.520.060.241.710.20NANANANANA0.424.430.180.051.731.60NA0.010.941.060.90NA0.82
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-ME1929561.370.941.060.811.810.870.981.141.060.161.310.101.301.101.431.02NANANANA0.850.891.15NA1.330.741.140.920.92NA0.49NA1.42
MALEIC ACID (CAS# 110-16-7); (M-H)-ME1931980.410.600.29NA1.660.400.150.381.840.720.220.280.233.410.452.72NANANANA0.680.870.680.380.911.022.640.421.262.401.94NA1.84

Factors:

F1Fraction:Cells | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Cells, Cultured | species:denticola
F2Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola
F3Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium
F4Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:phagedenis
F5Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii
F6Fraction:Cells | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola
F7Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:maltophilum
F8Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:parvum
F9Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:pectinovorum
F10Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii
F11Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola
F12Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium
F13Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola
F14Fraction:Control media | Growth media:NOS + TPP | Growth phase:control media | Sample type:Culture | species:none
F15Fraction:Control media | Growth media:OMIZ | Growth phase:control media | Sample type:Culture | species:none
F16Fraction:Control media | Growth media:OMIZ + TPP | Growth phase:control media | Sample type:Culture | species:none
F17Fraction:Culture | Growth media:- | Growth phase:- | Sample type:- | species:-
F18Fraction:Pooled cells | Growth media:Pooled cells | Growth phase:Pooled cells | Sample type:Pooled sample | species:Pooled cells
F19Fraction:Pooled culture | Growth media:Pooled culture | Growth phase:Pooled culture | Sample type:Pooled sample | species:Pooled culture
F20Fraction:Pooled culture media | Growth media:Pooled culture media | Growth phase:Pooled culture media | Sample type:Pooled sample | species:Pooled culture media
F21Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Culture Media | species:denticola
F22Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola
F23Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium
F24Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:phagedenis
F25Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii
F26Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola
F27Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:maltophilum
F28Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:parvum
F29Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:pectinovorum
F30Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii
F31Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola
F32Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium
F33Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola
Data matrix
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