Clustering data with hclust algorithm for Effects of caloric restriction in HCR/LCR rats (Study ST000758)

Reversed phase NEGATIVE ION MODE (Analysis AN001190)
MetaboliteStructureF1F2F3F4F5F6F7F8F9
L-ORNITHINE (CAS# 70-26-8); (M-H)-ME2100960.970.851.240.920.840.971.181.00NA
DEOXYURIDINE (CAS# 951-78-0); (M-H)-ME2100371.220.980.920.881.360.841.270.63NA
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-ME2099910.750.731.661.120.800.721.210.96NA
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]ME2100921.070.691.341.060.671.041.031.06NA
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-ME2101370.950.841.241.100.830.861.210.94NA
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-ME2101321.070.430.910.540.971.461.571.07NA
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-ME2101240.971.011.121.150.930.831.090.91NA
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-ME2101011.080.931.061.010.901.061.100.85NA
HEPTADECANOATE (CAS# 506-12-7); (M-H)-ME2100761.121.031.091.240.810.801.160.75NA
GLUTAMATE (CAS# 56-86-0); (M-H)-ME2100651.340.991.040.950.801.141.110.72NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-ME2100320.610.921.380.991.230.691.390.22NA
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-ME2099990.751.071.221.910.530.681.070.65NA
CELLOBIOSE (CAS# 528-50-7); (M+CL)-ME2099940.870.861.260.661.000.991.290.96NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-ME209923NA0.500.951.191.160.920.991.38NA
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)-ME2099470.950.900.981.240.691.171.270.85NA
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-ME2099670.981.021.131.140.920.831.100.92NA
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-ME2100770.740.750.811.780.870.731.390.86NA
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-ME2099161.170.621.571.060.670.391.341.16NA
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-ME2099391.01NANANA0.961.031.020.84NA
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-ME2099551.290.661.610.790.890.881.220.69NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-ME2100561.040.921.230.930.830.981.120.93NA
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+HCOO)-ME2099200.721.131.590.810.420.341.870.24NA
CITRULLINE (CAS# 372-75-8); (M-H)-ME2100060.930.841.060.740.80NA1.28NANA
ARACHIDONATE (CAS# 506-32-1); (M-H)-ME2099780.990.881.190.871.030.891.290.85NA
LEUCINE (CAS# 328-39-2); (M-H)-ME2101050.730.751.760.700.580.711.391.12NA
GLUCOSE (CAS# 50-99-7); (M+CL)-ME2100621.040.941.090.901.020.961.100.96NA
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-ME210119NA0.69NA1.19NA0.860.971.09NA
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-ME2100530.970.731.131.050.921.151.220.80NA
2-ETHYLHEXANOIC ACID (CAS# 0); (M-H)-ME2099250.830.911.030.920.951.091.190.96NA
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-ME2100070.841.001.231.010.920.961.150.84NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-ME2100010.981.021.191.140.870.861.040.88NA
ISOLEUCINE (CAS# 73-32-5); (M-H)-ME2100860.700.701.660.780.810.671.311.05NA
D-TAGATOSE (CAS# 87-81-0); (M+CL)-ME2100271.040.941.090.901.020.961.100.96NA
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-ME2100520.860.960.800.940.900.951.041.44NA
CHOLATE (CAS# 81-25-4); (2M-H)-ME2099951.111.541.650.740.250.16NANANA
D-PSICOSE (CAS# 551-68-8); (M+CL)-ME2100261.040.941.090.901.020.961.100.96NA
GLUTARATE (CAS# 110-94-1); (M-H)-ME2100670.970.731.131.050.921.151.220.80NA
ALLANTOIN (CAS# 97-59-6); (M-H)-ME2099701.071.031.181.020.870.831.070.92NA
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-ME2099650.970.901.321.170.980.491.151.00NA
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-ME2099111.291.121.320.470.940.491.290.31NA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-ME2099261.030.521.290.831.240.791.171.16NA
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-ME2101060.770.511.761.480.620.511.480.77NA
2-HYDROXYBUTYRATE (CAS# ); (M-H)-ME2099280.620.891.121.180.781.001.480.82NA
ARABITOL (CAS# 7643-75-6); (M+HCOO)-ME209976NA0.950.841.180.86NA1.08NANA
MALEIC ACID (CAS# 110-16-7); (M-H)-ME210113NA0.62NANA1.601.121.170.75NA
D-LYXOSE (CAS# 1114-34-7); (M-H)-ME2100230.800.500.610.411.031.631.821.34NA
HIPPURATE (CAS# 495-69-2); (M-H)-ME2100780.840.591.010.511.041.331.541.12NA
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]ME210060NA0.76NA0.710.871.251.400.87NA
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-ME2099491.140.650.920.751.001.091.441.02NA
CORTISOL (CAS# 50-23-7); (M+HCOO)-ME2100100.631.030.731.310.731.960.720.28NA
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-ME2100821.391.110.861.020.950.770.991.10NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-ME2100451.090.911.130.990.871.001.130.88NA
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-ME209912NA0.691.400.761.03NA0.740.90NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)-ME2099891.070.870.791.330.660.801.280.81NA
ELAIDIC ACID (CAS# 112-79-8); (M-H)-ME2100430.981.021.191.140.870.861.030.89NA
MELIBIOSE (CAS# 585-99-9); (M+CL)-ME2101180.870.861.270.661.000.991.290.96NA
MALTOSE (CAS# 69-79-4); (M+CL)-ME2101140.870.861.270.661.000.991.290.96NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-ME2100571.080.921.120.980.881.001.120.89NA
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]ME2100580.810.341.160.940.621.071.611.29NA
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-ME2100721.000.802.331.010.630.710.181.02NA
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-ME2100501.200.861.120.830.771.131.160.90NA
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-ME2100031.080.960.921.070.971.110.990.90NA
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-ME209987NA0.69NA1.19NA0.860.971.09NA
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-ME2099770.930.861.261.240.740.721.440.75NA
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-H)-ME2099330.880.951.130.580.941.061.340.92NA
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-ME2099480.691.060.900.950.570.750.902.05NA
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)-ME2099841.010.420.930.412.030.521.001.29NA
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-ME2099371.070.840.910.830.941.350.901.11NA
BEHENIC ACID (CAS# 112-85-6); (M-H)-ME2099810.890.841.081.400.800.701.340.90NA
FRUCTOSE (CAS# 57-48-7); (M+CL)-ME2100491.040.941.090.901.020.961.100.96NA
DECANOATE (CAS# 334-48-5); (M-H)-ME2100281.051.050.951.040.810.980.971.09NA
CYTIDINE (CAS# 65-46-3); (M-H)-ME2100170.981.040.890.991.150.990.94NANA
CHOLATE (CAS# 81-25-4); (M+CL)-ME2099961.620.882.211.48NA0.170.120.11NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-ME2099171.270.581.631.160.680.361.410.91NA
BIOTIN (CAS# 58-85-5); (M-H)-ME2099880.880.830.420.611.140.420.262.32NA
MYRISTIC ACID (CAS# 544-63-8); (M-H)-ME2101250.950.980.861.060.981.021.041.09NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-ME2099150.860.961.211.030.930.951.130.90NA
LACTOSE (CAS# 63-42-3); (M+CL)-ME2101020.870.861.270.661.000.991.290.96NA
ISOCITRATE (CAS# 320-77-4); (M-H)-ME2100850.690.520.910.800.551.221.361.81NA
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-ME2099180.551.061.201.300.850.721.470.54NA
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-ME2100540.801.131.151.011.070.991.100.55NA
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-ME2099730.601.051.101.150.760.981.450.80NA
EDTA (CAS# 60-00-4); (M-H)-ME2100420.49NA1.910.90NA0.240.560.71NA
GLYCERATE (CAS# 473-81-4); (M-H)-ME2100690.951.460.761.050.701.000.751.13NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-ME2099620.431.021.790.770.410.660.801.75NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-ME2099211.070.681.361.100.800.601.370.98NA
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-ME209943NA0.711.531.360.630.931.120.89NA
HYPOXANTHINE (CAS# 68-94-0); (M-H)-ME2100800.78NA0.971.03NA1.070.731.32NA
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)-ME2101201.001.041.530.780.860.921.230.80NA
L-ARGININE (CAS# 74-79-3); (M-H)-ME2100900.610.38NA0.890.420.600.472.53NA
CHOLATE (CAS# 81-25-4); (M-H)-ME2099971.830.892.171.480.830.290.110.16NA
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)-ME2099100.720.821.061.230.651.001.420.96NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-ME2099591.370.63NANA0.751.191.230.70NA
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-ME2099630.911.061.151.290.760.920.970.88NA
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)-ME2101211.210.891.291.090.660.741.160.89NA
MALTOSE (CAS# 69-79-4); (M+HCOO)-ME210115NA0.69NA1.19NA0.860.971.09NA
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M-H)-ME2100840.871.011.131.210.910.831.17NANA
DIACETYL (CAS# 431-03-8); (M+HCOO)-ME2100380.970.741.141.060.931.131.220.81NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-ME2099341.210.901.120.790.671.171.150.88NA
CITRATE (CAS# 77-92-9); (M-H)-ME2100050.790.561.271.150.491.151.431.02NA
4-COUMARATE (CAS# 501-98-4); (M-H)-ME2099460.920.810.751.070.841.141.271.10NA
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]ME2100680.720.321.220.751.090.951.191.18NA
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-ME2100880.770.790.980.661.331.361.020.97NA
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-ME209913NA0.490.661.122.62NANA0.93NA
CITRAMALATE (CAS# 2306-22-1); (M-H)-ME2100041.170.781.000.860.571.011.391.08NA
LYSINE (CAS# 56-87-1); (M-H)-ME2101111.480.791.600.660.760.680.801.28NA
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-ME2100351.190.821.070.911.290.801.380.62NA
DUMP (CAS# 964-26-1); (M-H)-ME2100411.100.681.24NA1.001.251.03NANA
AZELAIC ACID (CAS# 123-99-9); (M-H)-ME2099800.940.871.141.280.890.751.160.92NA
D-ORNITHINE (CAS# 348-66-3); (M-H)-ME2100250.970.851.250.910.840.971.181.00NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-ME2100551.150.801.360.940.790.981.200.72NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-ME2099520.030.463.460.280.320.86NA1.72NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-ME2099741.151.081.110.971.030.951.060.53NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]ME2099710.760.461.300.771.080.961.391.30NA
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-ME2101071.011.080.841.430.920.891.110.71NA
CREATINE (CAS# 57-00-1); (M-H)-ME2100130.781.181.190.751.041.11NANANA
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-ME2100330.920.671.540.710.841.091.280.90NA
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-ME2099500.89NA1.01NA0.82NA1.240.59NA
MALATE (CAS# 97-67-6); (M-H)-ME2101120.691.030.851.291.081.490.950.57NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-ME2099360.711.080.920.770.600.770.922.11NA
L-HISTIDINOL (CAS# 4836-52-6); (M-H)-ME2100950.851.470.750.960.631.33NA1.04NA
LACTOSE (CAS# 63-42-3); (M-H)-ME2101030.690.740.800.62NA1.171.151.42NA
ADPGLUCOSE (CAS# ); (M-H)-ME2099680.98NA1.13NA0.880.911.210.80NA
LINOLEATE (CAS# 60-33-3); (M-H)-ME2101080.901.060.871.040.951.110.991.05NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-ME2099350.740.521.260.841.030.941.391.29NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-ME2099601.150.501.630.350.700.881.491.20NA
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-ME210097NA0.490.951.191.160.921.001.39NA
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-ME2100640.860.960.800.940.900.951.041.44NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-ME2099410.981.021.131.140.920.831.100.92NA
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]ME2099850.831.141.000.751.280.821.161.21NA
CATECHOL (CAS# 120-80-9); (M-H)-ME2099930.531.150.450.500.57NANA1.74NA
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-ME2100021.030.990.941.050.921.140.960.95NA
MANDELIC ACID (CAS# 611-71-2); (M-H)-ME2101160.830.651.421.920.730.770.810.87NA
4-NITROPHENOL (CAS# 100-02-7); (M-H)-ME2099531.200.941.011.060.870.931.130.86NA
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-ME2099641.181.230.76NA1.000.870.851.04NA
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-ME2101290.950.841.241.090.830.861.210.94NA
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-ME2101270.950.841.241.100.830.861.210.94NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-ME2099581.190.780.720.631.151.481.280.78NA
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-ME2101001.110.881.111.010.911.031.150.78NA
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-ME2100361.130.711.101.021.390.681.230.83NA
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)-ME210128NA0.851.610.700.870.800.811.39NA
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-ME2099321.180.701.501.420.780.421.310.72NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)-ME209990NA1.071.571.740.480.480.650.54NA
CIS-ACONITATE (CAS# 585-84-2); (M-H)-ME2100001.120.631.171.140.550.491.361.48NA
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-ME2100790.951.270.770.821.021.130.911.12NA
GLUTAMINE (CAS# 56-85-9); (M-H)-ME2100660.900.861.341.180.760.740.891.06NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-ME2099240.880.871.061.070.991.041.010.99NA
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-ME2100701.041.590.961.090.701.270.530.40NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-ME2099140.841.001.231.020.920.951.150.84NA
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-ME2099310.67NA1.371.050.75NA0.90NANA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-ME2099510.030.463.460.280.320.86NA1.72NA
BENZOATE (CAS# 65-85-0); (M-H)-ME2099830.691.060.900.950.610.750.892.04NA
LAURIC ACID (CAS# 143-07-7); (M-H)-ME2101040.971.200.840.990.921.160.831.08NA
L-HISTIDINE (CAS# 71-00-1); (M-H)-ME2100941.150.871.210.840.921.110.691.23NA
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-ME2101300.700.681.180.680.750.932.000.97NA
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-ME2099420.970.901.311.170.980.501.151.00NA
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-ME2101381.100.851.381.030.980.781.080.80NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-ME2099290.951.031.161.150.930.831.090.90NA
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-ME2101260.981.570.940.820.951.160.750.82NA
METHYLMALONATE (CAS# 516-05-2); (M-H)-ME2101220.801.041.831.260.940.451.080.69NA
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-ME2100980.870.881.071.060.971.031.040.98NA
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-ME2100400.920.811.650.990.790.661.380.75NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-ME2100441.090.911.200.960.830.981.190.84NA
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-ME2100140.940.871.151.270.890.751.160.92NA
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-ME2101310.330.732.00NA0.621.381.041.10NA
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-ME209930NA0.610.36NA0.630.302.24NANA
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-ME2100471.051.051.050.980.611.260.871.07NA
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-ME2100080.860.961.201.030.930.961.130.90NA
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-ME2099860.870.861.260.661.000.991.290.96NA
ERUCIC ACID (CAS# 112-86-7); (M-H)-ME2100460.760.861.151.940.610.671.240.68NA

Factors:

F1Feeding:Fast | Group:HCR-AL
F2Feeding:Fast | Group:HCR-CR
F3Feeding:Fast | Group:LCR-AL
F4Feeding:Fast | Group:LCR-CR
F5Feeding:Fed | Group:HCR-AL
F6Feeding:Fed | Group:HCR-CR
F7Feeding:Fed | Group:LCR-AL
F8Feeding:Fed | Group:LCR-CR
F9Feeding:Pooled plasma | Group:Pooled plasma
Data matrix
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