Data for (Study ST002775)

(Analysis AN004517)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

MetaboliteF1F2F3F4
10-Nitrolinoleate 0.1012 3.6889 0.1117 0.0982
1-[1-(1-Benzothiophen-2-yl)ethyl]urea 1.3427 0.8584 0.7118 1.0871
11-Aminoundecanoic acid 1.2466 0.8162 0.9109 1.0262
1_2-Diaminobenzene 1.1776 1.0672 0.9381 0.8171
"1,2-dihydroxyheptadec-16-yn-4-yl acetate" 0.6090 1.2011 1.1809 1.0090
"12H-benzo[5,6][1,4]oxazino[2,3-b]quinoxaline" 2.2312 1.4251 0.1690 0.1747
1-(2-pyridin-2-yldiazenyl)-2-naphthol 1.0384 0.7758 1.2798 0.9060
"13,14-dihydro-15-keto-tetranor Prostaglandin F1?" 0.1685 3.5849 0.1428 0.1037
"1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-$l^{1}-selanyl-5-(methylaminomethyl)pyrimidin-4-one" 0.9266 1.2101 0.7436 1.1197
1_3_5-trimethoxybenzene 1.4526 0.6740 1.1873 0.6861
"1,3,7-Octanetriol" 1.6337 0.4898 0.5287 1.3478
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranose 1.0768 0.6940 1.3765 0.8528
"1,3-Dimethyl-6-morpholino-1,2,3,4-tetrahydropyrimidine-2,4-dione" 1.1239 0.8833 1.2260 0.7668
"1,3-Dipropylxanthine" 2.1753 0.4610 1.0216 0.3421
1-{4-[(3S)-3-(1-Methyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-piperidinyl}ethanone 1.4007 0.7172 1.4328 0.4494
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid 1.4540 0.9174 1.0116 0.6170
1-(4-Amino-5-hexyn-1-yl)guanidine 3.4622 0.1359 0.2449 0.1569
1_4-Diaminobutane;Putrescine 1.0877 1.0373 1.0842 0.7908
1-(4-Hydroxyphenyl)-2-aminoethanol 1.0278 0.9371 1.4414 0.5938
1_4-Lactone 0.9017 1.0234 1.2428 0.8321
1_5-Anhydro-D-mannitol 0.2171 0.2280 0.1799 3.3751
1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole 0.9616 0.6366 1.3460 1.0557
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one 1.0915 1.1012 1.1306 0.6767
"1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid" 1.6489 0.5710 0.1915 1.5886
1-Amino-1-deoxy-scyllo-inositol 0.3867 0.4636 0.4101 2.7396
1-Amino-1-deoxy-scyllo-inositol4-phosphate 1.2474 0.8375 1.2572 0.6579
1-aminobutylphosphonic acid 1.1980 1.0131 0.9378 0.8511
1-Aminocyclopropane-1-carboxylate 0.9769 0.9954 1.0886 0.9391
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine" 0.9853 0.8847 1.2322 0.8977
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one" 0.1774 0.0201 0.0318 3.7707
1-Cyclohexenecarboxylic Acid 1.1481 0.7369 1.1601 0.9549
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol 1.2073 0.7195 1.6178 0.4554
1-Deoxy-D-altro-heptulose7-phosphate 1.0322 0.8587 1.2332 0.8759
1-Deoxy-L-mannitol 1.1351 0.8558 0.9016 1.1075
1-EBIO 1.3260 0.8524 1.1978 0.6238
1-Methyladenine 1.9128 1.2394 0.4426 0.4052
1-Methylhistidine 0.9692 0.6903 1.5149 0.8256
1-Methylpyrrolinium 1.8562 1.0012 0.5282 0.6144
1-Methylxanthine 2.0674 1.2480 0.3704 0.3142
1-Nitrosopiperidine 1.1979 1.1812 0.9089 0.7120
1-phenylethan-1-one hydrazone 1.1869 0.8346 1.1282 0.8503
1-phenylpropane-1_2-dione 1.4235 0.8602 1.1208 0.5956
1-Pyrroline-4-hydroxy-2-carboxylate 0.7004 0.6873 0.9103 1.7020
"(1R,5R)-3,3,5-Trimethylcyclohexyl 5-oxo-L-prolinate" 1.2701 0.7495 1.1254 0.8550
"(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-2-ene-5,9,12,13,14-pentol" 0.7058 0.9330 1.0677 1.2935
(1-Ribosylimidazole)-4-acetate 1.1977 0.8004 1.3470 0.6549
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate 1.2280 0.9413 0.9470 0.8837
"(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate" 2.3994 0.6885 0.1271 0.7850
1-Vinyl-2-pyrrolidone 1.7552 1.4144 0.4955 0.3348
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid 1.4472 0.8427 1.2039 0.5061
"2,2^-Iminodipropan-1-ol" 1.8452 1.1866 0.5735 0.3947
2_2^-Iminodipropanoate 1.2372 0.7921 1.0447 0.9260
2-(3-Carboxy-3-aminopropyl)-L-histidine 1.1985 0.8157 1.3545 0.6313
2^_3^-CyclicCMP 0.9214 1.0477 1.1070 0.9239
2_3-Dimethylmaleate 1.1012 1.0322 0.9435 0.9231
"2,3-Dimethylquinoxaline" 1.1983 1.0500 0.9805 0.7712
"2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole" 1.0303 0.6352 1.3188 1.0157
"2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1-methyl-1H-imidazol-5-yl)-1,3,4-oxadiazole" 1.0936 0.9108 0.9977 0.9979
"2,4,6-triaminotoluene" 1.2053 0.8579 1.1183 0.8186
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose" 1.3346 1.0030 1.0299 0.6325
"2,4-DIMETHYL-5-VINYLTHIAZOLE" 0.7954 0.8653 1.1984 1.1409
2-[4-(tert-butyl)-2-chlorophenoxy]-3-nitropyridine 0.9115 1.1142 1.0027 0.9716
2-[(5-chloro-3-pyridyl)oxy]-5-(1H-pyrrol-1-yl)pyridine 0.7569 0.9667 1.2611 1.0153
2_5-Dioxopiperazine 1.1014 0.8773 1.1253 0.8960
"2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)aniline" 0.9204 0.8756 1.2702 0.9338
2_6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine 1.4646 1.7351 0.4221 0.3782
"2,6-Diamino-7-hydroxynonanedioic acid" 1.2409 0.9094 1.1482 0.7014
2_6-Diaminoheptanedioicacid 1.1019 1.2403 0.8559 0.8019
"2,7,9-Trimethyl-4H-pyrido[3^,2^:4,5]thieno[3,2-d][1,3]oxazin-4-one" 0.1988 0.2280 0.2071 3.3660
2_7-Anhydro-alpha-N-acetylneuraminicacid 1.2848 0.8453 1.3423 0.5276
"2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine" 1.2109 0.7634 1.3015 0.7242
2-(7^-methylthio)heptylmalate 0.9557 0.6566 1.5783 0.8093
2-(Acetamidomethylene)succinate 1.3583 0.5525 1.6477 0.4414
2-Amino-1H-benzimidazole 0.8860 0.6142 1.3878 1.1120
"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid" 1.0549 0.9289 1.1200 0.8962
2-amino-3-({[1-(dimethylamino)-1H-pyrrol-2-yl]methylidene}amino)but-2-enedinitrile 1.7035 0.9643 0.8646 0.4676
2-Amino-3-methoxybenzoic acid 1.0854 0.7587 1.3120 0.8439
"2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline" 0.7957 0.6164 1.4753 1.1127
2-Amino-4-hydroxy-6-hydroxymethyl-7_8-dihydropteridine 1.7413 1.0104 0.6583 0.5900
2-Amino-4-methylpyrimidine 1.0092 0.7666 1.3902 0.8340
2-Aminoacetophenone;O-Acetylaniline 1.0004 0.7042 1.3036 0.9919
2-Aminoacrylate 1.1689 1.0298 1.0589 0.7424
2-Aminophenol 0.9249 1.1160 1.0769 0.8822
2-coumarate 0.9374 0.8724 1.2437 0.9465
2^-Deoxycytosine 1.8757 1.1714 0.5869 0.3660
2-(Diethoxymethyl)furan 0.6186 2.7528 0.3897 0.2389
"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine" 0.8736 0.9106 1.3405 0.8753
"2-Ethyl-4,5-dimethylthiazole" 1.4873 1.0333 0.8206 0.6588
2-Hydroxy-2_4-pentadienoate 1.6034 0.9415 0.7842 0.6708
2-Hydroxy2-methylbutyricacid 0.2052 0.2450 0.2348 3.3150
"2-Hydroxyamino-3-methyl-3H-imidazo[4,5-f]quinoline" 0.8915 0.9252 1.2713 0.9119
"2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol" 1.3805 0.9544 0.9731 0.6920
2-Hydroxy-N-(2-hydroxyethyl)propionamide 1.0273 0.6946 1.3968 0.8814
2-Hydroxyphenethylamine 1.4549 0.6141 1.2847 0.6464
2-Hydroxypyridine 1.2985 0.8282 1.2473 0.6260
2-Isopropyl-6-methoxypyrazine 1.1975 1.1683 0.8833 0.7509
2-Mercapto-2-methylpentan-4-one 1.5997 0.9609 0.8119 0.6275
2-Mercaptoethanol 1.1306 0.9531 1.0360 0.8803
"2-Methyl-4,5-dihydro-3-furanthiol" 1.0384 0.7758 1.2798 0.9060
2-Methyl-6-oxohepta-2_4-dienal 0.6121 1.3481 1.1662 0.8736
2-methylbutyrylcarnitine 1.4649 0.9733 1.0139 0.5480
2-Methylcholine 1.5454 0.5279 1.5425 0.3842
2-Methylhippuricacid 1.3697 0.7449 0.6463 1.2391
2-Methylnicotinamide 3.7551 0.0627 0.1289 0.0533
2-Methylserine 0.9894 0.7571 1.4577 0.7958
2^-N-Acetylparomamine 2.0067 0.8163 0.8882 0.2888
2-Oxindole 1.0766 0.7504 1.1635 1.0094
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate 1.2301 0.9850 1.0610 0.7239
"2-phenyl-4H-furo[2,3-h]chromen-4-one" 1.0864 1.0141 1.1214 0.7782
2-Phenyl-4-pentenal 0.5800 1.6453 1.0793 0.6954
2-Phenylethanol 1.2529 0.8297 1.2747 0.6427
2-(Phenylsulfonyl)aniline 1.7637 1.3042 0.5580 0.3740
(2R_3S)-2_3-Dimethylmalate 1.4703 1.0193 0.8843 0.6261
(2R_4S)-2_4-Diaminopentanoate 1.0075 1.2063 0.9852 0.8010
"(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid" 1.0880 1.1064 1.2324 0.5733
"(2S)-1,1-Dimethyl-2-piperidiniumcarboxylate" 1.1074 1.0395 1.0782 0.7749
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 0.0862 3.7497 0.0894 0.0747
(2S)-2-Amino-8-hydroxyoctanoic acid 1.0773 1.0281 1.0164 0.8782
"(2S)-3-(4-Hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name)" 1.0338 0.9828 1.0676 0.9159
"(2S)-3-Hydroxy-1,2-propanediyl dibutanoate" 1.0742 0.9077 0.8637 1.1545
"(2S,3R)-3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2,4-butanetriol" 1.1711 0.9152 1.3590 0.5547
(2Z)-3-Phenyl-1-(1-pyrrolidinyl)-2-propen-1-one 0.2852 0.1027 0.8667 2.7455
"3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(2-thienylcarbonyl)acrylonitrile" 1.3232 1.3132 0.8076 0.5560
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine 1.0778 1.0355 1.1142 0.7725
"3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)-1H-1,2,4-triazol-1-yl]-5-methylisoxazole" 1.1533 1.2317 0.5066 1.1083
3-(3_4-Dihydroxypyridin-1-yl)-L-alanine 1.1108 0.9640 1.2768 0.6484
3^_4^_5-Trihydroxy-3_6_7-trimethoxyflavone 2.3562 0.9096 0.3900 0.3442
3_4-Dimethoxyphenethylamine 0.7180 0.2354 1.5614 1.4852
"3,4-Dimethyl-5-pentyl-2-furanpropanoic acid" 0.0883 3.6267 0.2201 0.0649
3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile 1.1024 0.7548 1.1953 0.9474
"3,5-Dihydroxyphenyl dihydrogen phosphate" 1.0581 0.9502 1.0389 0.9528
"3,5-Dimethyl-1-phenylpyrazole" 1.4224 0.7602 0.9001 0.9173
"3-[6-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol" 1.4890 1.0660 0.9050 0.5400
3-Amino-2-naphthoic acid 1.6808 0.6468 1.1223 0.5501
"3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione" 1.1242 1.0008 1.1136 0.7615
3-Amino-6-chloropyridazine 1.2590 0.8320 1.1752 0.7337
3-Aminopropane-1-sulfonic acid 0.9527 0.9185 1.2942 0.8345
3-BHA 1.2419 0.7407 0.9382 1.0793
3-Butyn-1-al 0.9770 0.9508 1.2300 0.8423
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid 1.0293 0.7644 1.3512 0.8552
3^^-Deamino-3^^-oxonicotianamine 0.7183 0.3271 1.8161 1.1385
3-Dehydrocarnitine 1.0225 0.9664 1.0428 0.9683
3-Dehydroxycarnitine 1.3223 0.8492 1.2543 0.5742
3-Guanidinopropanoate 0.8828 0.8998 1.3111 0.9063
"3-Hydroxy-2,4,5-pyridinetrimethanol" 1.3883 1.1265 0.9114 0.5737
3-hydroxy-2-methyl-1H-quinolin-4-one 1.0150 0.8324 1.2530 0.8995
3-Hydroxy-2-methyl-4-pyrone 1.1751 0.9518 1.0741 0.7990
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate 1.1964 1.2317 0.7888 0.7831
3-Hydroxy-4-methylanthranilate 1.0187 1.0177 0.9798 0.9838
3-Hydroxycotinine(3HC) 1.2042 0.8416 0.9722 0.9820
3-hydroxyoctanoylcarnitine 1.0926 0.7790 1.2987 0.8297
3-Hydroxytetradecanedioic acid 0.1852 3.5817 0.1418 0.0913
3-(Isothiocyanatomethyl)-1H-indole 1.3246 0.8725 0.9125 0.8903
3-Mercapto-3-methylbutan-1-ol 1.0791 1.0159 1.0473 0.8577
3-Methoxytyramine 1.1403 0.7624 1.1801 0.9172
3-Methylcrotonylglycine 2.3901 0.6070 0.2650 0.7378
3-Methylcyclopentene 1.6654 0.8288 0.9449 0.5609
3-Methylglutarylcarnitine 1.2815 0.6609 1.2791 0.7785
3-Methylhistamine 0.9957 0.9952 1.0014 1.0077
3-Methylhistidine 0.7219 0.5177 1.7501 1.0103
"3-Methylpyrrolo[2,1-c][1,2,4]triazine" 0.7304 0.5608 1.5097 1.1991
3-Oxotetradecanoic acid 0.1114 3.7536 0.0726 0.0623
3-(Pyrazol-1-yl)-L-alanine 1.1025 0.7331 1.3709 0.7935
(3R)-beta-Leucine 1.4317 1.0697 0.8895 0.6091
(3S)-3-(Pentanoyloxy)-4-(trimethylammonio)butanoate 1.5269 0.6840 0.8126 0.9764
(3S)-3-{(Z)-[(3S)-3-{(Z)-[(3R)-3-Amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxybutylidene]amino}-5-methylhexanoic acid 1.3657 0.9155 1.1985 0.5203
3-Ureidoisobutyrate 1.0126 0.9000 1.2621 0.8253
"4-[4-(Trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine" 0.9962 0.8427 0.9573 1.2038
"4,6-Diamino-5-formamidopyrimidine" 1.4645 0.7868 1.0206 0.7281
"4,8-dihydroxy-6,6,8-trimethyl-1H,3H,4H,4aH,5H,6H,7H,7aH,8H,9H-azuleno[5,6-c]furan-1-one" 0.8371 1.1058 0.7829 1.2741
4-Acetamido-2-amino-6-nitrotoluene 1.8400 0.7414 0.2903 1.1283
4-Acetamidobenzoic acid 1.4983 0.8392 0.9938 0.6687
"(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime" 1.2534 0.8310 1.0674 0.8482
"4-amino-1-(2-furylmethyl)-6-hydroxy-1,2-dihydropyrimidine-2-thione" 0.9203 0.9095 1.0974 1.0728
4-Amino-2-pyrazin-2-ylpyrimidine-5-carbonitrile 1.2251 0.9345 1.2766 0.5638
4-Amino-5-hydroxymethyl-2-methylpyrimidine 1.0309 0.9128 1.0275 1.0288
4-Aminopyridine 0.7923 0.8541 1.2562 1.0974
"(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydronaphthalen-2-one" 1.2418 0.9825 0.9795 0.7963
4-(beta-Acetylaminoethyl)imidazole 1.5886 0.6523 1.1129 0.6462
4-Butyloxazole 1.6844 0.9727 0.9428 0.4000
4-Coumarylalcohol 1.1607 0.7663 1.3019 0.7711
"4-Cyano-N-[(1R,9S)-11-(2-naphthoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide" 1.4854 0.7148 1.2669 0.5329
"4-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine" 0.9778 0.6599 1.4257 0.9366
(4E)-2-Oxohexenoicacid 1.3949 0.9836 1.0874 0.5341
4-Fluoro-?-pyrrolidinobutiophenone 0.9210 0.7756 1.3666 0.9369
4-Guanidinobutanal 1.1826 1.2959 0.9020 0.6195
4-Guanidinobutanamide 1.8578 0.9613 0.6413 0.5396
4-Guanidinobutyric acid 0.7630 0.8236 1.3130 1.1004
4-Imidazolone-5-propanoate 1.1467 0.7978 1.2135 0.8420
4-Indolecarbaldehyde 1.1892 1.0471 1.0138 0.7498
4-Methoxyaniline 1.1490 0.8009 1.1224 0.9277
4-Methyl-5-thiazoleethanol 1.6005 0.6023 1.2347 0.5625
4-Methylene-L-glutamate 1.1602 1.2707 0.8345 0.7346
4-Methylene-L-glutamine 1.3167 0.8753 0.9785 0.8295
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANOL 0.7865 0.6233 1.6381 0.9521
"4-(Methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amine" 0.7413 1.2111 0.8971 1.1505
4-methylthiobutanaldoxime 1.0509 1.0670 1.0360 0.8461
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol 0.9880 0.6700 1.4312 0.9108
4-Oxo-4-(1H-purin-6-ylamino)butanoic acid 1.2400 0.7841 0.8320 1.1440
4-oxo-5-phenylpentanoic acid 0.0767 0.0301 0.0605 3.8327
"4-phenyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one" 0.9344 1.1938 0.9477 0.9241
4-phenylsemicarbazide 0.9214 1.0804 0.8002 1.1981
(4S)-4-[(11-Carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate 1.0871 0.8800 1.4665 0.5664
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate 1.2701 0.7495 1.1254 0.8550
4-(trifluoromethyl)nicotinic acid 0.7541 1.3065 0.7878 1.1516
4-Undecylbenzenesulfonic acid 0.7166 1.1142 0.9936 1.1756
4-Vinylpyridine 0.7101 0.6453 1.2278 1.4168
"5-({[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)-4-pentyl-4H-1,2,4-triazol-3-ol" 1.1508 1.2699 0.7488 0.8305
"5-[(4-methoxybenzyl)amino]-2,3-dihydro-1,3,4-thiadiazole-2-thione" 0.8795 0.8652 1.2091 1.0462
5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline 1.9526 0.7468 0.3029 0.9977
"5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one" 1.2089 1.0613 1.0055 0.7243
"5,6-Dimethylbenzimidazole" 1.3853 0.6785 0.9068 1.0294
"5,6-diphenyl-2,3-dihydropyrazine" 1.0503 1.0770 1.0413 0.8313
"5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one" 1.3012 0.8273 0.9957 0.8758
"5-Allyl-5-sec-butyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione" 1.5551 1.0336 0.9489 0.4624
"(5alpha,6alpha)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6,14-diol" 1.3368 1.6618 0.2845 0.7169
5-amino-1-phenyl-1H-pyrazole-4-carbonitrile 1.0692 0.6746 1.3231 0.9331
5-Amino-4-imidazolecarboxylate 1.7993 1.2617 0.4988 0.4402
"5-Amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one" 2.2002 0.8648 0.1640 0.7710
5-Hexyl-2-oxotetrahydro-3-furancarboxylic acid 1.6067 0.9088 0.6918 0.7927
5-Hydroxyindole-3-acetic acid 1.8789 1.0241 0.1626 0.9343
5-Hydroxykynurenamine 0.8679 1.0010 1.0413 1.0898
5-Hydroxymethyl-2-furaldehyde 1.3791 0.9442 1.0489 0.6277
"5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one" 0.9750 0.8303 1.2996 0.8951
5-Hydroxymethyldeoxycytidylate 1.4507 1.0143 1.0309 0.5040
5-L-Glutamyl-taurine 1.2464 1.0236 1.0868 0.6432
5-Methoxybenzimidazole 1.1347 0.7351 0.9941 1.1361
5-Methoxytryptamine 1.1691 0.8349 1.1606 0.8354
5-Methylcytosine 1.3709 0.9560 0.9600 0.7131
5-Methyldeoxycytidine 1.1162 0.6095 1.2968 0.9774
5-Nitro-o-toluidine 0.7355 0.7777 1.3165 1.1702
5-phenylpentanol 0.3492 3.2302 0.2059 0.2146
5-Phosphonooxy-L-lysine 1.0907 0.8392 1.2574 0.8127
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-3_4-dihydro-1(2H)-naphthalenone 1.2280 0.8897 0.9403 0.9420
"(5Z,8Z)-5,8-Tetradecadienoic acid" 0.9967 1.4415 0.8361 0.7257
"6,8-di(tert-butyl)-4-oxo-4H-chromene-2-carboxylic acid" 0.8490 0.9715 0.9679 1.2116
6-Acetamido-3-aminohexanoate 1.2085 0.7122 1.2682 0.8111
"6-anilino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione" 2.1077 0.9028 0.1642 0.8253
6-Deoxy-3-O-methyl-beta-D-galactopyranose 0.8875 0.9027 1.5685 0.6413
"6-Isopropylidene-4,4a-dimethyl-7-oxodecahydro-2-naphthalenyl (2E)-3-(methylsulfanyl)acrylate" 1.3125 0.6799 1.3539 0.6538
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one 2.1817 0.9145 0.2304 0.6734
6-Methylindole 1.1676 1.1101 0.9442 0.7782
6-methyltetrahydropterin 1.0923 1.0644 0.8711 0.9723
6-Oxo-pipecolinic acid 0.9324 1.0564 1.0864 0.9248
"7,8-dihydro-8-oxoguanine" 1.4079 1.0147 0.7534 0.8240
"7,8-dihydroxanthopterin" 1.3070 1.3453 0.7450 0.6028
7-carboxy-7-deazaguanine 2.1746 0.7373 0.6843 0.4039
7-deoxyloganetin 1.4386 0.6638 1.1952 0.7025
"7-methyl-3-nitroimidazo[1,2-a]pyridine" 0.8411 0.9093 1.1227 1.1269
7-Methylguanine 1.5381 0.9993 0.7710 0.6916
7-Methylguanosine 1.2137 0.9109 1.1184 0.7570
(+/-)8(9)-EET 0.9442 1.2465 1.0674 0.7419
8-Amino-7-oxononanoate 1.1792 0.9197 0.9642 0.9369
"8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol" 1.6708 1.4172 0.4843 0.4277
8-hydroxy-7-methylguanine 1.2413 0.7426 1.1447 0.8713
8^-Hydroxyabscisate 1.4165 1.0133 0.8879 0.6823
8-Hydroxyalanylclavam 1.1511 0.8638 1.3971 0.5880
8-Hydroxyhexadecanedioic acid 0.0677 3.8357 0.0571 0.0395
8-Hydroxyquinoline 0.0945 0.0222 2.6299 1.2534
Acadesine 1.7728 0.5528 1.2092 0.4652
Aceclidine 1.3039 0.6051 1.2543 0.8368
Acetohydroxamic acid 0.3197 0.3265 0.3603 2.9935
Acetylcadaverine 1.1757 1.1935 0.9150 0.7158
Acetylcholine 1.2299 1.0799 0.9909 0.6992
Acetyl-L-carnitine 1.0361 1.0777 1.0033 0.8829
Acetyl-?-methylcholine 1.3153 0.9527 1.0053 0.7268
acetyltaurine 0.9020 0.7926 1.3715 0.9339
Adenosine 1.0686 0.8678 1.1144 0.9493
Adenosine 5^-monophosphate 0.9481 0.7937 1.3335 0.9247
ala-asn 0.9068 1.1363 0.9200 1.0369
ala-met 0.0242 0.0177 2.6177 1.3404
Alanyltryptophan 1.0181 1.0790 1.4433 0.4595
Ala-Tyr(Alanyltyrosine) 1.1307 1.1595 1.2205 0.4894
Albendazole 0.9777 0.9261 1.1385 0.9576
Alizarin 1.0194 0.9885 1.0963 0.8958
Allopurinol 1.4224 1.0322 0.7843 0.7611
Allyl Cyanide 1.3287 1.1848 0.7743 0.7122
alonimid 1.2648 0.8848 1.1934 0.6570
alpha-D-Galactosyl-1_3-beta-D-galactosyl-1_4-N-acetyl-D-glucosamine 1.6914 0.6603 1.1628 0.4855
alpha-D-Xylose1-phosphate 0.5654 0.9279 0.9116 1.5950
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose 1.6722 1.3520 0.5324 0.4434
alpha-Glutamyl-4-hydroxyproline 0.3019 0.6115 0.5139 2.5728
alpha-methylstyrene 1.1782 0.8688 1.3551 0.5979
Alphaprodine 1.5390 1.1266 0.8389 0.4955
Ambrette musk 1.0902 0.9948 1.4287 0.4864
AminoDHQ 3.0260 0.2861 0.3805 0.3075
Ammelide 1.6393 1.2570 0.4589 0.6447
Ammeline 0.9562 0.8992 1.0860 1.0587
AMPA 1.3539 0.6591 0.7188 1.2682
Aniracetam 1.8565 0.7374 0.3696 1.0365
Anthranil 1.2470 0.8325 1.3009 0.6196
Anthranilic acid 1.6276 0.8384 1.0024 0.5316
Apigenin7-O-beta-D-glucoside 0.6314 1.4845 0.8332 1.0509
APM 1.6924 0.6785 1.1997 0.4295
Apocynin 1.4545 1.3284 0.6000 0.6171
apronalide 0.9537 0.7831 1.3354 0.9278
Arg-Glu 1.2394 0.9179 1.2418 0.6009
Argininosuccinicacid 1.1711 1.1333 1.1089 0.5867
arg-leu 1.0302 0.9847 1.2197 0.7653
ARG-PHE 0.9647 0.8999 1.3520 0.7833
Arg-Trp 0.8684 1.2433 1.2613 0.6270
arg-val 1.2722 0.7290 1.5782 0.4205
AS3325000 1.1173 0.9731 1.0085 0.9011
asn-asn 1.3123 0.7605 1.4562 0.4710
asn-thr 0.8934 1.0694 1.4145 0.6227
asn-val 0.9691 1.2058 1.0292 0.7959
Asparagine 1.0961 1.0460 1.1004 0.7575
Asparaginyl-4-hydroxyproline 0.9253 1.1385 1.0905 0.8457
Aspartyl-L-proline 1.2128 0.9169 1.3461 0.5242
asp-gln 1.2053 0.8743 1.4074 0.5129
Asp-lys 0.6554 1.1156 1.6631 0.5659
asp-thr 1.1957 0.6123 1.3563 0.8356
Atagabalin 0.9913 0.9901 1.1474 0.8712
Azelaicacid 0.2015 3.4980 0.1448 0.1556
azidamfenicol 2.6058 1.2311 0.0916 0.0716
Bemegride 1.6409 0.4903 1.0746 0.7941
Benzamidine 1.3300 1.1748 0.7833 0.7120
Benzene 1.0812 0.9195 0.8151 1.1841
Benzocaine 1.1421 0.7758 1.2585 0.8236
benzofenap 0.7396 0.7323 1.4716 1.0565
"Benzoyldehydro-2,3-dihydroxy-benzone" 2.1439 0.7910 0.1556 0.9094
beta-Alanyl-L-arginine 1.3806 0.7699 1.3012 0.5483
beta-Aspartylleucine 1.0248 0.9914 1.2544 0.7294
beta-Glycerophosphoricacid 0.8769 1.2288 1.0204 0.8739
beta-Ionone 0.4974 1.4369 1.1826 0.8830
Bethanidine 2.2600 0.3926 0.8724 0.4749
Biopterin 1.5640 1.1948 0.5969 0.6443
Biotinamide 1.1137 0.9877 1.0491 0.8495
Bis(4-ethylbenzylidene)sorbitol 1.1007 1.0266 1.1371 0.7356
Bis-D-fructose2^_1:2_1^-dianhydride 0.7897 1.0746 1.2460 0.8898
Botrydial 1.0003 0.7414 1.5765 0.6818
Butabarbital 1.1657 0.9987 1.2653 0.5703
butanethiol 0.8269 1.0230 1.1224 1.0278
Butenylcarnitine 0.9704 0.9313 1.2318 0.8665
Butobarbital 1.1553 0.8674 1.2231 0.7542
Butyryl-L-carnitine 1.3005 0.8708 1.1642 0.6646
BX9286000 1.1355 0.9655 1.1293 0.7697
Cannabidiolicacid 1.2850 0.5193 1.1093 1.0864
Capryloylglycine 1.3056 0.8847 0.9268 0.8829
capuride 1.9375 0.8463 0.6592 0.5570
Carbocysteine 2.1858 0.7814 0.1633 0.8695
Carbofuran 3.0462 0.2744 0.3589 0.3205
carglumic acid 1.2662 0.6100 1.4256 0.6981
Carnosine 1.1503 0.8471 1.3570 0.6455
Carnosine(beta-alanyl-L-histidine) 1.1744 1.0984 1.0459 0.6813
Catechol;1_2-Dihydroxybenzene 1.4980 0.8141 0.7997 0.8881
Chalcone 1.0745 0.9717 1.0055 0.9484
chavicol 1.4324 0.8499 0.9120 0.8057
Choline 0.9694 1.1390 0.9958 0.8958
Cholinephosphate 1.4146 0.8402 1.1459 0.5992
Cholinesulfate 0.8666 0.6910 1.3632 1.0791
Cladinose 0.3439 1.1011 0.4867 2.0682
Coformycin 1.2744 0.9500 1.0538 0.7218
convicine 1.4465 1.2704 0.8363 0.4468
Cotinine 1.4370 1.0396 0.8377 0.6856
Coumarone 1.1316 0.7669 1.2095 0.8920
Creatine 0.9594 1.0805 1.0138 0.9464
Creatinine 0.9295 0.8087 1.2490 1.0127
Crotono-betaine 1.1600 0.8760 0.9776 0.9864
CU5774000 1.5466 0.9896 0.7968 0.6670
Cyclohex-2-enone 0.6557 0.8438 1.1019 1.3987
"Cyclohexane-1,2-diaminetetraacetic acid" 0.9442 0.4886 1.7407 0.8265
Cyclohexylamine 1.7615 0.8187 0.8372 0.5826
(cyclohexylmethyl)pyrazine 1.1130 0.6007 1.3000 0.9864
Cytarabine 1.2222 0.7862 1.2282 0.7634
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine 1.6731 0.5379 0.8253 0.9637
Cytidine 5^-diphosphocholine 1.2391 0.7568 1.3127 0.6914
Cytidine 5^-monophosphate (hydrate) 1.1818 0.7513 1.3224 0.7445
Cytosine 1.2523 0.7847 1.1758 0.7872
D-2-Amino-hexano-6-lactam 1.1771 1.0737 0.9645 0.7847
D-Ala-D-Ala 1.1835 0.7289 1.3352 0.7525
Dambonitol 0.1677 0.2011 0.1348 3.4963
D-Arginine 2.0981 1.1283 0.5451 0.2285
D-(-)-Aspartic acid 1.2477 0.6073 1.6271 0.5179
DD9275000 1.3941 0.7153 0.9639 0.9267
Deoxycytidine 1.1031 0.7364 1.3928 0.7677
Deoxyguanidinoproclavaminicacid 1.2534 1.1920 0.8405 0.7142
D-Erythrose4-phosphate 1.0452 0.9686 1.0936 0.8925
Dethiobiotin 1.1500 1.0349 0.9735 0.8417
Dexamisole 1.2852 0.9256 0.9775 0.8118
Dezaguanine 1.8778 1.3025 0.3709 0.4487
D-glycero-D-manno-Heptose1-phosphate 1.0335 1.0326 1.0711 0.8628
di(3-pyridyl) 5-(tert-butyl)isophthalate 1.2402 0.7957 1.1378 0.8263
Difenoxurone 0.7517 0.7581 1.2978 1.1924
Difloxacin 1.1684 1.3119 0.6175 0.9021
Dihydrothymine 0.9190 1.0382 1.1051 0.9377
"Dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate" 2.1241 0.9840 0.0927 0.7992
Dimethylaminopropionylphenothiazine 1.2301 0.8543 1.0275 0.8880
dinotefuran 1.1982 1.1287 0.9834 0.6896
DL-Arginine-6C13 1.0280 0.9871 1.0421 0.9428
DL-Glutamine 1.0526 1.1150 0.9489 0.8835
DL-Phenylalanine-6C13 1.0000 1.0000 1.0000 1.0000
DL-Serine-13C3 0.8328 1.2064 0.8285 1.1322
DL-Tryptophan 0.9690 1.3021 0.9885 0.7404
D-myo-Inositol1_2-cyclicphosphate 0.9987 0.9223 1.0420 1.0370
D-O-Phosphoserine 1.0522 0.9138 1.1789 0.8550
D-Phenylalanine 1.1822 1.0662 1.4825 0.2691
D-Pipecolicacid 1.1425 0.9903 1.1401 0.7270
D-Proline 1.2293 1.0722 0.9796 0.7189
D-(+)-Pyroglutamic Acid 1.0356 1.1049 0.9676 0.8919
D-Serine 1.1951 1.0017 1.0750 0.7282
D-(+)-Tryptophan 1.1791 1.0855 0.9642 0.7712
(E)-4-hydroxyphenylacetaldehydeoxime 1.0507 1.6996 0.6035 0.6461
E-64 0.0555 0.0251 0.0471 3.8722
Ecgonine 1.3880 1.2015 0.7498 0.6607
Ecgoninemethylester 2.1654 0.9245 0.4316 0.4785
Ectoine 1.2321 0.6920 1.3645 0.7114
EDDA 1.0174 1.0022 1.3159 0.6645
Edrophonium 1.3214 1.1167 0.9308 0.6310
Efloxate 1.0577 1.0725 1.0204 0.8494
Eglumetad 1.2768 0.8115 1.1740 0.7378
EGTA 0.8052 1.1160 0.8541 1.2246
EJ4025000 1.7333 0.9111 1.0002 0.3554
Elaeokanine C 1.4409 0.8016 0.9132 0.8442
(E)-Nifurtimox 1.4286 0.8320 1.1398 0.5995
Enrofloxacin 1.3731 1.1881 0.6332 0.8057
Epinephrine(OrL-Adrenaline) 0.9746 0.8770 1.2238 0.9245
EPK 1.1364 0.9099 1.3371 0.6166
epsilon-(gamma-Glutamyl)-lysine 1.2409 0.9094 1.1482 0.7014
Ethanal tetramer 1.6282 1.0143 1.0578 0.2997
ethyl 2-[(4-methyl-2-oxo-2H-chromen-8-yl)oxy]acetate 0.9414 0.6253 1.3585 1.0748
"ethyl 2-amino-8H-indeno[2,1-b]thiophene-3-carboxylate" 1.2514 1.4091 0.5772 0.7624
ethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidine-5-carboxylate 0.7958 1.1921 0.9358 1.0764
Ethylcyclopentenolone 0.9875 1.1747 1.2675 0.5703
[FAamino(5:0)]2S-amino-pentanoicacid 1.2230 1.0160 0.9704 0.7906
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacid 0.8927 0.8753 1.2895 0.9424
fagomine 0.8628 0.9757 1.0729 1.0886
[FAoxo(12:0)]12-oxo-10E-dodecenoicacid 1.2228 0.8244 1.3869 0.5660
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid 1.4938 1.4203 0.6354 0.4505
flavylium 1.1878 1.4735 0.7872 0.5514
Flucythrinate 0.4957 0.4087 0.5280 2.5677
formyl-isoglutamine 1.1136 0.8812 1.0964 0.9088
fosfocreatinine 1.1475 0.9095 1.0446 0.8984
Fructoselysine 1.2987 0.9284 1.1365 0.6365
Furfural;Furan-2-carbaldehyde 1.3699 0.9422 0.9459 0.7420
gamma-Glutamyl-gamma-aminobutyraldehyde 1.2590 1.0050 1.2637 0.4723
gamma-Glutamyl-gamma-aminobutyraye 1.2492 0.7832 1.3365 0.6311
gamma-Glutamyl-gamma-glutamylglutamic acid 1.0913 0.7679 1.4112 0.7296
gamma-Glutamyl-S-methylcysteine 1.0832 0.7349 1.3285 0.8534
gamma-L-Glutamyl-L-cysteinyl-beta-alanine 1.1053 1.0626 1.0032 0.8288
gamma-L-Glutamylputrescine 1.2856 1.0660 0.8149 0.8334
GDP-alpha-D-mannose 1.1775 0.7410 1.3321 0.7495
Geranylpyrophosphate 1.4038 0.8702 0.9900 0.7361
Ggamma-L-Glutamyl-L-glutamicacid 1.1867 0.9130 1.3955 0.5047
Glibornuride 2.5039 0.7250 0.4025 0.3687
Glu-ala 1.4521 0.6407 1.4828 0.4244
glu-asp 0.9579 0.8944 1.4197 0.7280
Glucose 1-phosphate 1.0681 0.8761 1.2827 0.7731
Glu-Gly 1.2166 0.7248 1.5392 0.5194
glu-ser 1.1911 0.8993 1.3622 0.5475
Glutarylcarnitine 1.1463 0.6237 1.2709 0.9591
Glutathione 0.8504 0.8474 1.5275 0.7747
glu-thr 1.2394 0.5968 1.4655 0.6983
Gly-Arg 0.9551 0.9995 1.4602 0.5852
Glycerophosphoglycerol 1.3598 0.8642 1.1931 0.5829
Gly-DL-Phe 0.9714 0.8462 1.2719 0.9104
Gly-Pro(Glycylproline) 1.0608 1.1742 1.0897 0.6753
GMP;5^-GMP;Guanosine5^-monophosphate 1.0968 0.7867 1.3076 0.8089
Guanadrel 1.2346 0.8140 1.1184 0.8330
Guanine 1.0143 1.1661 0.9080 0.9116
Guanosine 1.1006 0.9269 1.1014 0.8711
Gynocardin 1.1092 0.9973 0.9509 0.9426
Heliotrine 0.1141 3.6351 0.0647 0.1862
hercynine 1.1014 0.6893 1.3175 0.8918
Hexanoylcarnitine 1.2618 0.7537 1.0857 0.8987
Hexanoylglycine 1.9139 0.8528 0.4973 0.7361
Hexatriyne 1.1701 0.8441 1.1555 0.8304
Hexylamine 1.1532 1.0778 0.9398 0.8293
Histidylglycine 0.8970 1.1381 1.1709 0.7940
Histidylphenylalanine 1.8904 0.8126 0.8046 0.4924
HO-dPEG8-OH 0.5120 0.2773 0.3109 2.8998
Homoanserine 1.2645 0.8313 1.4549 0.4493
Homoarginine 0.8513 0.7662 1.7484 0.6342
Hydantoin-5-propionate 1.2383 0.7417 1.4556 0.5643
Hydroxyhexanoycarnitine 1.0184 0.8779 1.2635 0.8402
Hypotaurine 1.1117 0.9222 1.1848 0.7814
Hypoxanthine 1.1362 1.0843 0.9710 0.8086
ile-his 0.9361 0.9333 1.2114 0.9192
Imagabalin 1.3405 0.7818 1.2048 0.6729
Imetit 1.8091 0.6253 0.6381 0.9275
Imidazol-5-yl-pyruvate 1.0800 0.8826 1.3461 0.6913
Imidazole-4-acetaldehyde 1.0017 1.1580 0.8362 1.0041
Imidazoleaceticacid 0.7908 0.6256 1.2858 1.2979
Iminoerythrose4-phosphate 1.0690 0.7984 1.3099 0.8227
Imipenem 0.5923 1.9140 0.5243 0.9695
Indane 1.1474 1.0616 1.0131 0.7779
Inosine 1.2732 0.9324 1.0399 0.7545
Inosinic acid 1.0942 0.9643 1.0600 0.8816
Iproniazid 1.2490 0.8588 1.0379 0.8543
ISOFENPHOS 1.4960 0.8853 1.0644 0.5543
Isoleucine - 6C13 1.0000 1.0000 1.0000 1.0000
Isoniazid 1.4996 1.2143 0.7916 0.4945
Istamycin C1 0.3483 0.2141 0.2019 3.2357
Kahweofuran 1.1979 1.1812 0.9089 0.7120
Kanosamine 1.4542 1.0312 0.8775 0.6371
KJ9800000 1.2646 0.8717 1.0812 0.7825
Kyotorphin 1.2760 0.9065 1.2885 0.5290
L-2-Methyltryptophan 1.2817 0.9921 0.9234 0.8028
?-Lactose 1.3669 1.3026 0.7160 0.6145
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine 1.1706 0.9561 1.0616 0.8118
?-Lapachone 0.9689 1.0827 1.0360 0.9124
L-(+)-Arginine 1.3583 0.8350 1.2020 0.6047
L-Carnitinamide 1.1536 0.9750 1.0923 0.7791
L(-)-Carnitine 1.1456 0.9927 1.1375 0.7242
L-(+)-Citrulline 1.1595 1.2945 0.8639 0.6820
L-Cystathionine 1.0888 0.6656 1.3981 0.8476
lepidine 0.9034 0.5676 1.4435 1.0855
L-Ergothioneine 1.6209 1.3181 0.5594 0.5016
Leu-arg 1.0032 0.9269 1.4394 0.6305
Leucinamide 1.2221 0.8205 1.1202 0.8372
Leucylasparagine 0.9844 0.8224 1.6775 0.5156
Leucyl-leucyl-norleucine 1.3898 1.2708 1.0347 0.3047
Leucylproline 1.2688 1.1070 0.9076 0.7166
Leucyltryptophan 1.2347 1.2648 1.0078 0.4927
leu-gln 0.9304 0.9237 1.5767 0.5692
leu-his 1.2529 0.7758 1.4249 0.5464
leu-lys 0.9142 0.5940 1.5642 0.9276
leu-phe 1.2602 0.7711 1.4835 0.4852
Leu-Pro(Leucyl-Proline) 1.2580 1.0648 1.2337 0.4435
Leu-Val 1.0284 0.8239 1.2264 0.9213
Levetiracetam 0.9307 1.0526 1.0912 0.9255
L-gamma-Glutamyl-L-leucine 1.2432 1.1826 0.9240 0.6502
L-gamma-Glutamyl-L-valine 1.2141 0.8879 1.4220 0.4759
L-Glutamic acid 1.1093 0.8294 1.2454 0.8158
L-Glutaminyl-L-proline 1.1336 1.0314 1.1699 0.6652
?-L-Glutamyl-L-glutamic acid 1.0533 0.9456 1.4610 0.5401
L-Glutathione oxidized 1.1720 0.8894 1.1544 0.7843
L-Histidine 1.0041 0.7856 1.3400 0.8703
L-Homocitrulline 1.0874 1.0315 1.0686 0.8124
L-Hypoglycin 1.9027 0.5689 0.7129 0.8155
lidamidine 0.9166 0.6360 1.3680 1.0793
Linamarin 1.0425 0.6833 1.4038 0.8705
L-Indospicine 1.1146 0.6475 1.4324 0.8054
Lisofylline 0.9225 0.9008 1.1408 1.0359
L-isoglutamine 0.6492 1.0509 1.2660 1.0338
L-Kynurenine 0.7865 0.6233 1.6381 0.9521
L-Lysine 1.5115 0.9797 0.9436 0.5652
L-(-)-Methionine 1.0592 1.0929 1.0920 0.7558
L-MethionineS-oxide 2.0435 0.7286 0.5623 0.6656
Lobelanine 2.5050 0.7493 0.2816 0.4642
Lofepramine 1.0901 0.7918 1.3779 0.7402
Loganin 1.1024 1.5084 0.6632 0.7260
L-Pyroglutamic acid 1.1423 0.8809 1.2276 0.7492
L-Saccharopine 1.4792 0.9277 1.0198 0.5733
L-serine phosphoethanolamine 1.0603 0.9072 1.1929 0.8396
L-Threonine 1.1438 0.9176 1.1026 0.8360
L-Tryptophanamide 1.2215 0.6551 1.4227 0.7007
L-Tyrosine 0.9374 0.8724 1.2437 0.9465
L-Tyrosinemethylester 1.1553 0.8674 1.2231 0.7542
LU3453000 1.0382 1.0538 1.0290 0.8790
lycopsamine 1.6250 0.7162 0.8419 0.8170
"LYSINOALANINE, (S,R)-" 1.0881 0.7157 1.5975 0.5987
lys-leu 1.0107 1.1121 1.1597 0.7175
Lys-phe 1.0782 0.8789 1.5078 0.5351
Lys-Pro 1.2651 1.0411 1.0001 0.6937
lys-thr 1.0715 0.8484 1.5706 0.5095
Lysylvaline 1.1935 1.0601 1.0944 0.6520
Macarpine 0.6048 1.3145 0.8536 1.2271
Maleamate 1.2192 0.7185 1.4593 0.6030
Maleimide 1.5324 0.7617 1.0611 0.6447
Maltotetraose 1.4225 1.0748 0.8548 0.6479
Medroxalol 1.7522 0.7995 0.9455 0.5027
Melagatran 1.3473 0.7839 1.1345 0.7343
Metanephrine 1.0358 1.3718 0.9858 0.6066
met-arg 1.0390 0.5818 1.9283 0.4508
Methionylleucine 1.0230 0.9283 1.4817 0.5670
Methohexital 1.0523 0.9712 1.3261 0.6504
"methyl 3,5-ditert-butyl-4-hydroxybenzoate" 0.2520 3.4593 0.1447 0.1440
Methyl-3-aminobenzoate 0.5947 0.9729 1.0209 1.4115
Methylazoxymethanol 1.3994 0.7438 1.1302 0.7267
Methylfarnesoate 0.0305 3.8983 0.0457 0.0255
Methylimidazoleacetic acid 0.5326 0.3292 2.1669 0.9712
metominostrobin 1.1134 0.9234 1.3278 0.6354
Metronidazole 1.1689 0.7116 1.4744 0.6451
met-thr 1.1273 0.6290 1.6436 0.6001
MFCD00020424 1.0449 0.7117 1.7714 0.4721
MFCD00025555 1.1307 1.1410 0.9017 0.8266
MFCD00037215 1.1604 1.0932 1.1971 0.5492
MFCD00153469 1.4214 0.7981 0.9569 0.8236
Milrinone 1.5502 1.2465 0.7179 0.4855
moroxydine 0.9777 0.8746 1.1774 0.9703
Myristamide 1.4966 0.8373 0.9621 0.7040
"N1-(3-Pyridylmethyl)-3-(3,4-dichlorophenyl)acrylamide" 0.7230 1.2970 1.1104 0.8696
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-yliden)-2-chloroaniline 0.9411 1.1885 1.0906 0.7798
N1-Acetyl-5-methoxykynuramine 1.1522 1.1098 1.2135 0.5246
N1-Acetylspermidine 1.4834 0.5783 1.5308 0.4075
"N-[2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)vinyl]-N,N-dimethylamine" 0.9702 0.6609 1.3546 1.0142
"N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide" 2.1653 0.7457 0.3997 0.6894
N2-Acetyl-L-aminoadipate 1.1915 0.9884 1.0597 0.7604
N-(2-Cyanoethyl)-L-glutamine 0.9460 1.0038 1.3888 0.6613
N2-(D-1-Carboxyethyl)-L-lysine 0.9773 0.8909 1.3247 0.8071
"N2-neopentyl-5-methyl-1,3,4-thiadiazol-2-amine" 1.7203 1.0239 0.7036 0.5521
N2-Succinyl-L-arginine 1.0134 0.7686 1.6542 0.5638
N3-(2-morpholinophenyl)-2-oxo-2H-chromene-3-carboxamide 1.0141 0.8516 1.2539 0.8803
"N3,N4-Dimethyl-L-arginine" 1.4501 0.8537 1.1298 0.5665
N5-Ethyl-L-glutamine 1.3517 0.6559 1.3908 0.6016
N^5^-formyl-N^5^-hydroxy-L-ornithine 1.1720 0.8556 1.3765 0.5959
N5-Hydroxy-L-ornithine 1.1055 1.1324 1.0093 0.7528
N5-(L-1-Carboxyethyl)-L-ornithine 1.3248 0.6832 1.4383 0.5537
N6-(5-Oxo-D-isoleucyl)-L-lysine 0.9868 0.8390 1.5104 0.6638
N-(6-Aminohexanoyl)-6-aminohexanoate 0.9482 1.0026 1.4584 0.5908
"N(6),N(6)-Dimethyladenine" 1.2626 0.8934 1.0036 0.8405
"N6,N6-Dimethyllysine" 0.8886 0.5724 1.7864 0.7526
"N6,N6,N6-Trimethyl-L-lysine" 1.3661 0.6845 1.3531 0.5962
NAB 2.4289 0.4388 0.1896 0.9427
N-Acetyl-beta-D-glucosaminylamine 0.9304 0.9456 1.4652 0.6588
N-Acetyl-D-galactosamine 1.2123 1.1202 0.9032 0.7643
N-Acetyl-D-quinovosamine 1.2141 0.8879 1.4220 0.4759
N-Acetylglutamine 1.2478 1.0089 1.1329 0.6104
N-Acetylhistamine 1.7110 1.2699 0.4696 0.5495
N-Acetyl-L-citrulline 1.1108 0.9640 1.2768 0.6484
N-Acetyl-L-glutamate5-semialdehyde 1.1339 1.4357 0.5750 0.8553
N-Acetyl-L-histidine 0.8385 0.9768 1.1180 1.0667
N-Acetyl-L-methionine 1.2538 0.7998 1.3116 0.6348
N-Acetyl-L-phenylalanine 1.6995 0.9755 0.8477 0.4773
N-Acetylneuraminic acid 1.3454 0.9710 1.0317 0.6518
N-Acetylornithine 1.7688 1.1856 0.6178 0.4278
N(alpha)-Benzyloxycarbonyl-L-leucine 0.9986 0.7425 1.3931 0.8658
N-Amidino-L-aspartate 0.0205 0.0297 0.0192 3.9306
Naphthalen-2-amine 1.1639 1.0454 1.0207 0.7700
N-Butyryl-L-homoserinelactone 1.4869 0.9931 0.7120 0.8080
Neopterin 1.1524 0.8694 0.8519 1.1263
Neuraminicacid 1.1314 0.8119 1.2197 0.8370
N-glycoloyl-D-mannosaminolactone 2.4125 1.2952 0.1565 0.1357
n-Hexanamide 0.9866 0.8386 1.2001 0.9747
Nicotianamine 1.6131 1.0129 0.9023 0.4718
Nicotinamide 1.1993 0.8764 1.1573 0.7670
Nicotinamide adenine dinucleotide (NAD+) 0.8560 0.8130 1.2578 1.0732
Nipradilol 1.0040 0.9265 1.1747 0.8948
Nitrosoheptamethyleneimine 1.6755 1.1971 0.6545 0.4729
N-Methylhistamine 1.0610 0.9914 1.0225 0.9251
N-Methylphenylethanolamine 1.6469 0.6644 1.1240 0.5647
N-Methylpyridinium 0.9806 0.6619 1.0937 1.2638
N-Methylpyrrolidone 1.2203 1.1795 0.8464 0.7538
"N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide" 1.1670 0.7972 1.1546 0.8811
"N,N-Dihydroxy-L-valine" 1.0383 0.8573 0.8321 1.2723
"N,N-dimethyl-9H-purin-6-amine" 1.5142 1.0179 0.8066 0.6613
"N,N-Dimethyl-N-phenylurea" 1.1700 0.8191 0.9597 1.0512
N-NITROSOMETHYLVINYLAMINE 1.0033 1.1364 0.8945 0.9658
NNN 1.5284 0.7816 0.6492 1.0408
Norepinephrine(Noradrenaline) 2.5460 0.5668 0.1533 0.7340
norhaman 1.1955 0.7518 1.2239 0.8288
NP-003469 0.7733 0.9206 1.1523 1.1538
NP-008563 0.0281 3.9235 0.0274 0.0209
NP-008993 0.1164 3.5365 0.2247 0.1224
NP-012972 0.0284 3.9179 0.0403 0.0134
NP-015114 1.1591 1.0627 0.9745 0.8036
NP-015145 0.8980 0.9134 1.3862 0.8025
NP-020240 0.8418 1.0548 0.8422 1.2612
NP-020418 0.1879 3.6418 0.0659 0.1044
NP-021844 0.9442 0.9369 1.1350 0.9839
N-Phenylacetyl pyroglutamic acid 2.2002 0.8648 0.1640 0.7710
N-Propionylmethionine 1.2440 0.7053 1.5114 0.5394
n-Ribosylhistidine 1.0103 0.7246 1.9604 0.3047
N-Ribosylnicotinamide 0.9860 1.0568 1.0332 0.9240
N-Tridecanoylglycine 2.4694 0.1993 1.1084 0.2229
O-heptanoylcarnitine 1.3243 0.7573 0.9275 0.9910
ON1225000 1.9360 0.8599 0.6128 0.5914
Onapristone 0.8362 1.0694 0.9949 1.0994
O-propenoyl-D-carnitine 1.1182 0.8976 1.1854 0.7988
Ornithine 1.1663 1.1875 0.9078 0.7384
Orthophosphate 1.0001 0.8064 1.3418 0.8517
Ovothiol A 0.9789 0.6357 1.7707 0.6147
Oxibendazole 1.3449 0.8524 0.9665 0.8362
Pantetheine 1.3229 0.8630 1.2647 0.5494
Pantothenicacid(VitaminB5) 1.2730 0.8487 1.1199 0.7584
PEG-4 1.1032 0.6617 0.7383 1.4967
PEG n10 0.2841 0.1586 0.1687 3.3886
PEG n11 0.2067 0.0985 0.1113 3.5835
PEG n12 0.1219 0.0506 0.0709 3.7566
PEG n13 0.1044 0.0738 0.0780 3.7438
PEG n6 0.7040 0.5969 0.5184 2.1808
PEG n7 0.7242 0.5016 0.4385 2.3357
phe-gln 1.2095 0.9902 1.0158 0.7845
Phenacetin 1.0582 0.5632 1.5678 0.8109
Phenazone 0.8932 0.8104 1.3314 0.9650
Pheneturide 1.4515 0.7372 0.6699 1.1415
Phenylacetaldehyde 1.2283 0.9532 1.0280 0.7904
Phloionolic acid 0.2302 3.4575 0.1818 0.1305
Phosphonoacetaldehyde 1.3599 0.8922 1.1310 0.6169
Pilocarpine 1.1206 0.8351 1.1179 0.9264
Piperidine 1.9250 0.6096 0.9023 0.5631
Piperonylonitrile 1.3369 0.7215 0.8024 1.1392
Pirbuterol 1.3266 1.0111 0.9637 0.6987
Pirimicarb 2.0197 0.5419 1.0059 0.4325
PKF118-310 1.8567 0.9507 0.4669 0.7257
PLK 1.3649 0.7544 1.2049 0.6758
Precocene II 1.0215 1.8564 0.4984 0.6237
Primidolol 0.9560 1.2865 0.8209 0.9366
prinoxodan 1.9101 0.6505 0.9489 0.4905
procainamide 0.8852 0.9556 1.2499 0.9093
Proclavaminicacid 1.0163 0.6826 1.2354 1.0658
Prolinamide 0.8556 0.9214 1.1308 1.0923
Propionylcarnitine 1.1711 1.1096 0.9830 0.7363
Propofol 1.1563 0.6704 1.5061 0.6672
Pro-Pro 1.1967 1.0769 1.1121 0.6143
Pseudouridine 1.1447 0.9575 1.3708 0.5270
Putrescine 1.4027 0.7081 1.2951 0.5942
PV8 2.2089 1.1678 0.3705 0.2528
Pyridinoline 1.3960 0.7402 1.2892 0.5747
Pyridoxal 1.2371 0.8025 1.2860 0.6744
Pyridoxamine 0.7303 1.1649 1.0313 1.0735
Pyrimidine 1.4248 0.8023 1.2659 0.5069
Pyrrole 0.9040 1.1380 0.9851 0.9730
Queuine 0.5848 0.6849 1.2667 1.4636
"quinoxaline-2,3-dithiol" 0.9335 1.4151 0.6737 0.9778
(R)-3-Amino-2-methylpropanoate 0.8016 0.9396 1.1808 1.0780
(R)-3-hydroxybutyrylcarnitine 1.2397 0.7628 1.2250 0.7725
(+)-Retronecine 0.5956 0.7853 1.2956 1.3235
Rilmenidine 0.9913 0.6299 1.3316 1.0471
Rishitin 0.0839 3.5752 0.2327 0.1082
(R)-N-Methylcoclaurine 1.3432 1.6207 0.3160 0.7201
Ro 20-1724 1.1262 0.8643 1.4437 0.5658
robustine 2.0650 0.6305 0.2848 1.0197
(S)-2-Acetolactate 0.9978 1.0510 1.0348 0.9164
S-(2-Methylbutanoyl)-dihydrolipoamide 0.8032 0.0950 1.7421 1.3597
(S)-4-Amino-5-oxopentanoate 1.4110 0.9657 0.9904 0.6329
(S)-4-Hydroxymandelonitrile 1.1312 0.7668 1.3097 0.7923
S-Acetylthioethanolamine 1.3663 1.7272 0.3943 0.5122
S-Adenosylhomocysteine 0.9587 1.0422 1.1300 0.8691
S-Adenosylmethionine 0.7718 0.7038 1.6427 0.8817
Salsolinol 1.3186 0.7380 1.4174 0.5259
S-Aminoethyl-L-cysteine 0.6564 0.6865 1.3409 1.3162
(S)-Carnitine 0.6364 0.5320 1.6927 1.1389
Secnidazole 1.0060 0.9700 0.9418 1.0822
Secogalioside 1.2555 0.9260 1.0005 0.8180
Selsun 0.7218 1.3105 0.9007 1.0670
Sepiapterin 1.2911 1.2126 0.4197 1.0767
ser-arg 1.0806 0.9015 1.4479 0.5700
ser-gln 1.0852 1.0683 1.2213 0.6252
Serotonin 1.1405 1.0853 1.0688 0.7054
Ser-Ser 1.1907 0.8506 1.4161 0.5426
"[Similar to: 2-[(4-chlorophenyl)sulfonyl]-N,N-dimethylacetamide; ?Mass: 38.1715 Da]" 0.5830 0.4659 0.5319 2.4192
"[Similar to: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; ?Mass: -57.7704 Da]" 1.2683 0.8811 0.9445 0.9061
[Similar to: 4-(acetylamino)phenyl 3-chlorobenzoate; ?Mass: 11.1428 Da] 0.1482 3.6294 0.1146 0.1078
[Similar to: (4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone; ?Mass: 38.0421 Da] 0.2041 0.1843 0.1926 3.4190
"[Similar to: (4S,6S)-1-Allyl-6-isobutyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide; ?Mass: -294.1732 Da]" 1.4873 1.0333 0.8206 0.6588
"[Similar to: 6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 3-methylbutanoate; ?Mass: 122.1780 Da]" 1.1305 0.9479 0.8680 1.0536
[Similar to: Adenosine 5^-monophosphate; ?Mass: -15.9255 Da] 1.3068 1.3584 0.7788 0.5560
[Similar to: ARH; ?Mass: -137.0848 Da] 1.3082 0.8918 1.0118 0.7882
[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 131.9854 Da] 0.7355 1.0424 1.0971 1.1250
[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 133.9827 Da] 1.0584 0.9279 0.9081 1.1055
[Similar to: Hexanoylcarnitine; ?Mass: -38.1236 Da] 1.0109 0.8335 0.6450 1.5106
[Similar to: N-Acetylneuraminic acid; ?Mass: 21.9952 Da] 0.2190 0.1783 0.2092 3.3936
[Similar to: N-Acetylneuraminic acid; ?Mass: 22.0317 Da] 0.9565 0.7168 0.5702 1.7565
[Similar to: NP-007994; ?Mass: -40.9675 Da] 1.3018 0.8294 1.0861 0.7828
[Similar to: PEG n10; ?Mass: -44.0267 Da] 0.4285 0.2519 0.2624 3.0572
[Similar to: PEG n7; ?Mass: 17.0262 Da] 0.4573 0.3837 0.3582 2.8008
S-Methyl-L-Cysteine-S-oxide 1.1591 0.9573 1.0951 0.7885
sn-glycero-3-Phosphocholine 1.3706 0.8710 1.1214 0.6370
sn-glycero-3-Phosphoethanolamine 1.0249 1.0145 1.0528 0.9078
S-OXY CYSTEINE 2.7194 0.6576 0.2223 0.4007
Spermic acid 1.2369 0.5671 1.5786 0.6174
spinacine 1.2635 0.7352 1.3512 0.6501
Stachydrine 1.1833 1.0487 1.0066 0.7615
Subaphyllin 1.1584 1.0784 1.2728 0.4904
Sulcatone 1.2667 1.3197 0.7381 0.6754
Sumatriptan 0.9361 0.7204 1.2920 1.0515
Taurine 0.9803 1.0664 1.0525 0.9008
Tauropine 1.2852 0.9734 0.9690 0.7723
Tetrahydropteridine 1.5055 0.9978 0.8502 0.6465
Tetramethylene sulfoxide 1.0774 1.0316 1.0466 0.8445
tetridamine 0.9466 0.9740 1.1797 0.8998
Thiamine 0.6917 0.9879 1.1282 1.1923
thr-arg 1.1954 0.9355 1.2791 0.5900
Threonine 0.9465 0.7838 1.3729 0.8969
Threonylglutamine 1.0810 0.9738 1.2160 0.7292
Threonylserine 1.2591 0.4883 1.2270 1.0257
THTA 1.0651 0.9119 1.2723 0.7508
Tiglylcarnitine 0.6492 1.6864 1.0796 0.5848
tolfamide 1.3150 0.7530 1.2460 0.6861
Tolperisone 1.5156 1.0702 0.9794 0.4347
tranexamic acid 1.0126 0.7777 1.3874 0.8222
trans-3-Indoleacrylic acid 1.2915 0.9810 1.0372 0.6904
(-)-trans-Carveol 1.4084 0.6836 1.1105 0.7976
Trigonelline 0.8322 0.4248 1.7740 0.9689
Tris(hydroxymethyl)aminomethane 0.1009 0.0339 0.0732 3.7920
Troxacitabine 0.7660 0.8715 1.3539 1.0086
UDP-D-galacturonate 1.0342 0.8370 1.1759 0.9528
UDP-N-acetylglucosamine 1.2723 0.8285 1.1814 0.7177
UF7990000 1.5675 0.8440 0.9310 0.6576
"Uracil - C13,N15" 1.0000 1.0000 1.0000 1.0000
Urocanic acid 0.3061 3.2554 0.1712 0.2672
US4550000 1.9259 0.4934 0.6527 0.9280
UV9702000 0.7709 0.8188 1.3641 1.0462
Valerophenone;1-phenylpentan-1-one 1.3899 0.9639 0.9841 0.6621
Val-lys 0.9824 0.8466 1.4578 0.7132
Val-Met 1.0704 0.9119 1.3891 0.6285
valpromide 1.4532 0.9121 0.8696 0.7651
Valylglutamine 1.0835 0.9942 1.3478 0.5745
Vinylbital 1.6995 0.9755 0.8477 0.4773
Voglibose 1.8909 0.4826 1.2359 0.3905
WS1228A 1.3393 0.4716 1.2367 0.9523
Xanthine 2.0138 0.9764 0.4660 0.5437
Xanthopterin 1.1556 1.4481 0.7410 0.6553
Xanthosine 2.0180 0.8736 0.5955 0.5129
XJ5104000 1.9116 0.4298 1.2399 0.4187
Zalcitabine 0.7643 0.7996 1.3040 1.1321
Zearalenone 1.2125 1.3245 0.7668 0.6962
"(Z)-N-(6-Amino-2-{(Z)-[(2,3-dihydroxyphenyl)(hydroxy)methylene]amino}-1-hydroxyhexylidene)serine" 1.6676 0.9394 0.2820 1.1110
Zonisamide 0.6337 0.3794 1.1718 1.8152
(Z)-thiofanox 1.1176 0.9456 1.2299 0.7069
β-D-Ribofuranosylcreatine 1.0930 0.9760 1.0676 0.8634
γ-Glu-Gly 1.3257 0.8404 1.2720 0.5620
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Sex:Female | Treatment:Injured
F2Sex:Female | Treatment:Uninjured
F3Sex:Male | Treatment:Injured
F4Sex:Male | Treatment:Uninjured
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