Data for (Study ST000292)

(Analysis AN000466)

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

MetaboliteF1F2F3
10,16-Dihydroxyhexadecanoic acid 1.1248 0.9230 0.9522
(10S)-Juvenile hormone III acid diol 0.9490 1.0241 1.0269
(10S)-Juvenile hormone III diol 1.0382 1.0836 0.8782
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide 0.9240 1.1505 0.9255
11H-Benz[bc]aceanthrylene 0.9674 1.0178 1.0148
11-Methoxy-vinorine 2.2000 0.2510 0.5490
1-(1-Oxopropyl)-1H-imidazole_1 1.1849 0.8248 0.9903
1-(1-Oxopropyl)-1H-imidazole_2 0.8867 1.0752 1.0381
1,2,3-Trihydroxybenzene 0.8679 1.1601 0.9720
1,2,6-Hexanetriol 0.9636 1.0698 0.9666
1,2-Bis(chloromethoxy)ethane 1.1694 0.6702 1.1604
1,3,8-Naphthalenertriol 1.0370 0.9727 0.9903
1,3-Dichloro-2-propanol 0.9498 1.1600 0.8902
1,4^-Bipiperidine-1^-carboxylic acid_1 1.2833 0.9161 0.8005
1,4^-Bipiperidine-1^-carboxylic acid_2 1.1222 1.1099 0.7679
1,4^-Bipiperidine-1^-carboxylic acid_3 1.0753 0.6850 1.2397
14-Dihydroxycornestin 0.9638 0.6960 1.3402
17beta-Methylestra-1,3,5(10)-trien-3-ol 0.9847 0.9892 1.0261
1^-Acetoxychavicol acetate 1.1478 0.9525 0.8997
1^-Acetoxyeugenol acetate 1.1241 0.8089 1.0670
1-AMINOCYCLOPROPANE-1-CARBOXYLATE 1.0101 0.9879 1.0020
1-Aminocyclopropane-1-carboxylate_1 1.0945 0.8687 1.0368
1-Aminocyclopropane-1-carboxylate_2 0.9140 0.9972 1.0887
1-Dehydro-9-fluoro-11-oxotestololactone 2.0823 0.2228 0.6492
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate 0.9694 1.0564 0.9742
1-Methyladenosine 1.0112 0.9358 1.0531
1-Octanal_1 0.9932 1.0121 0.9947
1-Octanal_2 0.9966 1.0158 0.9876
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine 1.0703 0.9159 1.0138
1-Oleoylglycerophosphocholine 1.2420 0.6467 1.1113
1-Pyrroline-2-carboxylate_1 0.9791 0.9807 1.0402
1-Pyrroline-2-carboxylate_2 0.9714 0.9995 1.0291
1-Pyrroline-2-carboxylate_3 1.0394 1.0025 0.9581
21,22-Diprenylpaxilline_1 1.4195 0.7643 0.8161
21,22-Diprenylpaxilline_2 1.0825 0.7091 1.2084
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate 1.0374 0.9701 0.9943
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid 0.6838 1.2830 1.0333
2,3-Dihydroxybenzoate 0.8937 1.1309 0.9719
2,3-Dimethylmaleate_1 0.8969 1.1268 0.9763
2,3-Dimethylmaleate_2 0.9296 0.9091 1.1612
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose 0.9555 1.0277 1.0168
2,5-Dichloro-4-oxohex-2-enedioate 1.0190 0.9840 0.9971
2,5-Dioxopentanoate 0.8957 0.8929 1.2115
2,5-Furandicarboxylate 0.7114 0.8703 1.4013
2,6-Diamino-7-hydroxy-azelaic acid 0.9055 0.4164 1.6713
2-Aceto-2-hydroxybutanoate 0.8148 1.2292 0.9560
2-Amino-1,2-bis(p-chlorophenyl)ethanol NA 1.0000 NA
2-Amino-9,10-epoxy-8-oxodecanoic acid_1 1.4303 0.8357 0.7340
2-Amino-9,10-epoxy-8-oxodecanoic acid_2 1.4562 0.6733 0.8705
2-Aminomuconate 1.0477 1.0382 0.9141
2-Aminomuconate semialdehyde 1.0063 1.0339 0.9598
2-Aminophenol_1 0.8290 1.0422 1.1288
2-Aminophenol_2 0.9930 0.7316 1.2754
2-(Biaryl)carbapenems 0.9660 0.9960 1.0380
2^-Dehydrokanamycin A 1.4663 1.1193 0.5743
2^-DEOXYGUANOSINE 0.7237 1.0377 1.2386
2-Ethylhexyl phthalate_1 1.0135 1.0101 0.9764
2-Ethylhexyl phthalate_2 1.0252 0.9802 0.9945
2-Ethylhexyl phthalate_3 0.9657 0.8813 1.1530
2-Furoate_1 0.8964 1.0743 1.0293
2-Furoate_2 0.7779 0.7001 1.5220
2-Hydroxy-1,4-benzoquinone 1.0655 0.9347 0.9998
2-Hydroxy-2,4-pentadienoate_1 0.8234 1.1092 1.0673
2-Hydroxy-2,4-pentadienoate_2 0.7610 1.2130 1.0260
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine 0.9928 0.8581 1.1492
2-Hydroxycyclohexan-1-one_1 1.0029 1.0015 0.9955
2-Hydroxycyclohexan-1-one_2 0.9910 0.9447 1.0643
2-Hydroxycyclohexan-1-one_3 0.9454 1.0871 0.9675
2-Hydroxymethylclavam_1 0.9538 1.0535 0.9928
2-Hydroxymethylclavam_2 1.1051 0.8301 1.0647
2-Hydroxypyridine 0.6573 1.2940 1.0487
2-(Methylthio)ethanesulfonate 1.0983 0.7849 1.1169
2-Naphthylamine_1 0.9306 1.0776 0.9918
2-Naphthylamine_2 1.0131 0.9767 1.0102
2-Oxobutanoate_1 0.8905 1.1185 0.9910
2-Oxobutanoate_2 1.0539 0.9292 1.0169
2-Oxooctadecanoic acid_1 1.1785 0.8350 0.9865
2-Oxooctadecanoic acid_2 1.1112 0.8584 1.0304
2-Phenylacetamide_1 0.9837 1.0089 1.0074
2-Phenylacetamide_2 1.3082 0.5814 1.1105
3-(2-Hydroxyphenyl)propanoate_1 1.0638 0.9759 0.9603
3-(2-Hydroxyphenyl)propanoate_2 1.4033 0.1625 1.4342
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1 1.0153 1.0017 0.9830
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2 0.9307 0.9017 1.1675
3,3^-Dimethylbisphenol A 1.1146 0.8683 1.0171
3,4-Dihydroxy-L-phenylalanine_1 1.0918 0.7437 1.1646
3,4-Dihydroxy-L-phenylalanine_2 1.3715 0.5675 1.0610
3,4-Dihydroxymandelate_1 0.3316 2.3244 0.2994
3,4-Dihydroxymandelate_2 0.8257 1.4499 0.6619
3,4-Dihydroxyphthalate 0.4917 1.1026 1.4057
3,4-Methylenedioxymethamphetamine 1.0109 0.9865 1.0026
3-AMINO-4-HYDROXYBENZOIC ACID 1.2327 0.8794 0.8879
3-Aminopropanesulfonate 0.6039 0.6121 1.7840
(3-Arylcarbonyl)-alanine 1.1451 0.9016 0.9533
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine 2.5134 0.0028 0.4488
3-Buten-1-amine 0.9649 1.0101 1.0249
3-Butylidene-7-hydroxyphthalide 1.0589 0.9926 0.9485
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 1.0065 0.9855 1.0080
3-(Dimethylamino)propyl benzoate_1 1.0303 1.0162 0.9535
3-(Dimethylamino)propyl benzoate_2 0.9831 0.6146 1.4023
3-(Dimethylamino)propyl benzoate_3 1.0767 1.1372 0.7862
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1 0.6395 1.1884 1.1720
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2 1.4909 0.7463 0.7629
3-Fluoro-cis,cis-muconate 0.9846 1.0558 0.9595
3-Hydroxyhexobarbital 0.9296 1.0354 1.0049
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1 1.0961 0.9795 0.9244
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2 0.9476 1.1803 0.8721
3-Isopropylcatechol_1 1.0530 0.9657 0.9813
3-Isopropylcatechol_2 0.8236 0.7461 1.4303
3-Mercaptolactate 0.8977 1.0528 1.0494
3-Methyl-2-oxobutanoic acid_1 0.9398 1.0816 0.9786
3-Methyl-2-oxobutanoic acid_2 0.6818 1.2278 1.0904
3-METHYLADENINE 0.5416 0.8035 1.6548
3-Methyldioxyindole 1.3211 0.5923 1.0866
3-Methyleneoxindole_1 1.0843 0.8411 1.0745
3-Methyleneoxindole_2 1.1775 0.7198 1.1027
3-Methyleneoxindole_3 0.8192 0.9454 1.2354
3-Methylguanine_1 0.8900 0.9739 1.1361
3-Methylguanine_2 0.9847 0.9473 1.0680
3-(Methylthio)propanoate 1.2890 0.4585 1.2524
3-Oxalomalate 0.9154 1.1940 0.8906
3-Oxo-5beta-cholanate_1 1.0375 0.9227 1.0398
3-Oxo-5beta-cholanate_2 1.1108 1.0242 0.8650
3-Oxododecanoic acid_1 1.0340 0.9836 0.9824
3-Oxododecanoic acid_2 1.2672 0.7036 1.0292
3-Oxohexobarbital 0.8967 1.1733 0.9300
(3S,5S)-Carbapenam-3-carboxylic acid 0.9509 0.9397 1.1094
3-Sulfocatechol 0.9076 0.9982 1.0942
3-tert-Butyl-5-methylcatechol 1.0580 0.9585 0.9835
3-UREIDOPROPIONATE 0.9309 1.0575 1.0116
4,8-Dihydroxyquinoline_1 1.1093 0.8944 0.9963
4,8-Dihydroxyquinoline_2 0.2806 0.3474 2.3720
4-ACETAMIDOBUTANOATE 1.1263 0.8288 1.0449
4-Acetamidobutanoate_1 1.2873 0.6063 1.1063
4-Acetamidobutanoate_2 1.0426 0.9029 1.0545
4-Acetamidobutanoate_3 1.1111 0.9090 0.9798
4-Acetamidobutanoate_4 1.1580 0.7767 1.0652
4a-Hydroxytetrahydrobiopterin 0.5238 2.0193 0.4288
4-Amino-1-piperidinecarboxylic acid 1.2723 0.5812 1.1465
4-Amino-2-hydroxylamino-6-nitrotoluene 1.1047 0.8347 1.0606
4-Aminobiphenyl 1.0567 0.9598 0.9836
4-AMINOBUTANOATE 0.9241 1.0367 1.0393
4-Aminobutyraldehyde_1 1.0131 0.9685 1.0184
4-Aminobutyraldehyde_2 1.1456 0.8056 1.0488
4-Carboxy-4-hydroxy-2-oxoadipate 1.0384 1.0157 0.9458
4-Chloroacetanilide 0.4574 0.8476 1.6541
4-Dodecylphenol_1 1.2713 0.6122 1.1165
4-Dodecylphenol_2 1.0188 1.1699 0.8113
4-Fluorocyclohexadiene-cis,cis-1,2-diol 0.9830 0.9786 1.0383
4-Fluoro-L-threonine 0.9788 1.1561 0.8793
4-Guanidinobutanal 1.1544 0.7964 1.0492
4-Guanidinobutanoate 0.9549 1.0926 0.9525
4-GUANIDINOBUTANOATE 0.7219 1.1046 1.1736
4-Hexyloxyphenol 0.8460 0.7877 1.3662
4-Hydroxy-2-butynal_1 0.9008 1.1336 0.9656
4-Hydroxy-2-butynal_2 1.0548 0.9091 1.0361
4-Hydroxy-2-quinolinecarboxylic acid 0.9659 1.0478 0.9863
4-Hydroxybutanoic acid_1 1.3728 0.6127 1.0145
4-Hydroxybutanoic acid_2 0.6519 1.5119 0.8362
4-HYDROXY-L-PHENYLGLYCINE 0.8341 1.2774 0.8885
4-Hydroxyphenylacetate 0.8621 1.2687 0.8692
4-IMIDAZOLEACETIC ACID 0.9745 1.0127 1.0128
4-Imidazolone-5-propanoate 0.8941 1.0587 1.0472
4-Maleylacetoacetate 0.7426 1.1493 1.1082
4-Methyl-2-oxopentanoate 0.9472 0.9934 1.0593
4-Methylene-L-glutamate 0.6958 1.1568 1.1474
4-Methylene-L-glutamine_1 1.1561 0.8981 0.9458
4-Methylene-L-glutamine_2 0.8028 1.0760 1.1212
4-Methylene-L-glutamine_3 1.1289 0.7413 1.1298
4-Oxoproline_1 0.9729 1.0157 1.0114
4-Oxoproline_2 0.9249 0.9003 1.1748
4-Pyridoxate 0.9962 0.9276 1.0762
4-Vinylcyclohexene_1 0.9940 1.0074 0.9986
4-Vinylcyclohexene_2 0.9079 1.0774 1.0147
4-Vinylcyclohexene_3 0.9875 1.0631 0.9494
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid 1.1725 0.8302 0.9972
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1 1.0146 1.0527 0.9327
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2 1.0353 1.0075 0.9573
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3 1.1114 0.9135 0.9751
5-(2-Hydroxyethyl)-4-methylthiazole_1 0.0038 0.0266 1.7878
5-(2-Hydroxyethyl)-4-methylthiazole_2 0.0448 0.4316 2.3612
5,6-Dihydrothymine_1 0.9521 1.0304 1.0174
5,6-Dihydrothymine_2 1.0103 0.9913 0.9984
5,6-Dihydrothymine_3 1.0289 0.8713 1.0998
5,6-Dihydrouracil 0.7984 0.9562 1.2454
5,6-DIHYDROURACIL 0.9607 1.0612 0.9781
5-Acetamidopentanoate_1 0.9919 0.9637 1.0444
5-Acetamidopentanoate_2 1.1297 0.8961 0.9742
5-Acetamidopentanoate_3 0.9782 1.0115 1.0103
5-Acetamidopentanoate_4 1.1678 0.7698 1.0624
5-Acetamidopentanoate_5 1.0070 0.8525 1.1405
5-Acetamidopentanoate_6 1.1894 0.8226 0.9879
5-Acetamidopentanoate_7 1.4418 0.8927 0.6656
5-Aminolevulinate_1 0.9844 0.9179 1.0977
5-Aminolevulinate_2 0.9710 0.7261 1.3029
5-Aminolevulinate_3 0.4577 0.7348 1.8075
5-Aminolevulinate_4 0.9075 1.0584 1.0341
5-AMINOLEVULINIC ACID 0.8511 1.1604 0.9885
5-AMINOPENTANOATE 0.9696 1.0097 1.0207
5beta-Scymnol sulfate 1.8019 0.6217 0.6707
5-exo-Hydroxy-1,2-campholide 0.9752 1.0055 1.0192
5-Guanidino-3-methyl-2-oxopentanoate 1.2186 0.5997 1.1817
5-Hydroxyindoleacetate 0.9833 0.9871 1.0296
5-Hydroxyindoleacetylglycine 0.4668 1.2889 1.2442
5-Hydroxyisourate_1 0.9116 1.1159 0.9724
5-Hydroxyisourate_2 1.0729 0.8354 1.0918
5-Hydroxy-L-tryptophan_1 0.8668 0.9062 1.2270
5-Hydroxy-L-tryptophan_2 1.1240 0.8008 1.0753
5-Hydroxy-L-tryptophan_3 0.9286 0.8590 1.2124
5-Hydroxy-L-tryptophan_4 0.9456 1.1089 NA
5^-Methylthioadenosine 0.9233 0.7115 1.2532
5-Methylthio-D-ribose 0.9247 1.0459 1.0295
5-O-Methyl-myo-inositol 1.1968 0.9152 0.8881
5-Oxoavermectin ^^1a^^ aglycone 1.0292 0.9346 1.0362
5-OXO-L-PROLINE 0.8910 1.0204 1.0887
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol 1.0463 0.9720 0.9817
5-Ureido-4-imidazole carboxylate 0.3724 0.4180 2.2096
5-Valerolactone_1 0.8453 1.1483 1.0064
5-Valerolactone_2 1.0047 0.9471 1.0482
5-Valerolactone_3 0.8454 1.2340 0.9205
6-DEOXY-L-GALACTOSE 0.9940 1.0019 1.0041
6-endo-Hydroxycineole_1 0.9856 1.0163 0.9981
6-endo-Hydroxycineole_2 1.0099 0.9567 1.0334
6-Hydroxyprotopine NA NA 1.0000
6-Hydroxypseudooxynicotine 2.4380 0.0417 0.0409
6-Methoxymellein 1.2704 0.5635 1.1662
6-Methylmercaptopurine 0.4861 1.1279 1.3860
(6S,9R)-Vomifoliol 1.1655 0.7293 1.1052
(6Z,9Z,12Z)-Octadecatrienoic acid_1 1.2949 0.6459 1.0592
(6Z,9Z,12Z)-Octadecatrienoic acid_2 1.1396 0.8332 1.0272
7-Dehydrodesmosterol 0.5678 0.4098 2.0224
8-Amino-7-oxononanoate_1 1.1250 0.8136 1.0613
8-Amino-7-oxononanoate_2 1.0435 0.9532 1.0033
8-Amino-7-oxononanoate_3 0.8087 0.9448 1.2465
8-Hydroxyalanylclavam 1.3789 1.2938 0.3699
(8Z,11Z,14Z)-Icosatrienoic acid 1.5131 0.6259 0.8609
9,12,13-TriHOME_1 1.0199 0.9630 1.0171
9,12,13-TriHOME_2 1.0283 0.9600 1.0117
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione 1.8226 0.3516 0.8258
9-Oxononanoic acid 1.0389 1.0424 0.9187
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1 1.1556 0.8935 0.9510
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2 1.1046 1.0006 0.8947
(9Z)-Hexadecenoic acid_1 1.1165 0.9101 0.9734
(9Z)-Hexadecenoic acid_2 1.7120 0.4893 0.7987
(9Z)-Hexadecenoic acid_3 1.2759 0.7258 0.9983
(9Z)-Octadecenoic acid 0.9585 0.7371 1.3044
Abietate 1.2770 0.8099 0.9131
Abscisate_1 1.2236 0.7673 1.0091
Abscisate_2 0.9046 1.0056 1.0898
Acetone cyanohydrin_1 1.1203 0.9154 0.9643
Acetone cyanohydrin_2 1.0700 0.9763 0.9538
Acetone cyanohydrin_3 1.0696 0.9457 0.9847
Acetylcysteine 1.3221 0.6275 1.0503
Acridine 1.2204 0.9638 0.8158
Adenine 0.7565 1.0588 1.1847
ADENINE 0.7440 1.0896 1.1664
Adifoline 1.0850 0.8698 1.0452
Allamandin NA NA NA
ALLANTOIN 0.9405 0.9327 1.1268
Allophanic acid methyl ester 0.9632 0.8794 1.1574
ALPHA-AMINOADIPATE 1.0863 0.9283 0.9854
alpha,beta-Didehydrotryptophan 0.8447 0.9372 1.2181
alpha-EMTBL_1 1.1921 0.5906 1.2173
alpha-EMTBL_2 1.3221 0.4958 1.1821
alpha-Erythroidine 1.2380 0.9285 0.8335
alpha-Oxo-benzeneacetic acid 1.1587 1.0463 0.7950
alpha-Sinensal_1 1.0278 0.9972 0.9750
alpha-Sinensal_2 0.9413 1.1227 0.9360
alpha-Sinensal_3 1.0189 0.9771 1.0040
alpha-Sinensal_4 1.0376 0.9520 1.0104
alpha-Tocopherol 1.7548 0.3192 0.9161
AMPA_1 0.7989 1.0643 1.1368
AMPA_2 1.2220 0.9019 0.8761
Ampicillin 1.9993 0.0007 NA
Ancitabin hydrochloride 1.0239 1.0256 0.9506
Androsterone glucuronide 0.7749 1.3673 0.0875
Aniflorine 1.0698 0.9726 0.9576
Anthranilate 1.1157 0.9484 0.9360
Apiole_1 0.9704 0.8796 1.1500
Apiole_2 1.0566 0.9528 0.9906
Apoatropine_1 1.5696 0.0346 0.1827
Apoatropine_2 2.4260 0.0029 0.0899
Apraclonidine 0.8370 0.3988 1.4551
Arachidonate 1.2152 0.8246 0.9602
Arbutin 2.2461 0.2337 0.4002
Aristolochic acid 0.8481 1.0912 1.0607
Aromatic aldehyde_1 1.3957 0.5532 1.0511
Aromatic aldehyde_2 0.9698 0.9898 1.0404
Aromatic aldehyde_3 0.9494 0.9188 1.1318
Aromatic aldehyde_4 1.0307 0.8604 1.1089
Aromatic aldehyde_5 0.9253 0.8292 1.2455
Austrobailignan 1 0.9893 1.0248 0.9859
Azelaic acid 0.9627 1.0152 1.0220
Bakkenolide A 1.0270 1.0006 0.9724
Batrachotoxin 0.9305 1.0304 1.0391
Beclomethasone 0.4793 2.2386 0.2821
Benzoate 1.0014 0.9889 1.0098
Benzofuran_1 1.0571 0.8978 1.0451
Benzofuran_2 0.9635 1.0907 0.9458
Benzyl alcohol 0.9829 0.9919 1.0253
Benzyl nicotinate 1.0226 0.9877 0.9218
Bergaptol_1 0.9795 0.9710 1.0495
Bergaptol_2 0.6680 0.2602 2.0347
BETA-ALANINE 0.9089 1.1527 0.9384
beta-Carboline_1 1.0815 0.9273 0.9912
beta-Carboline_2 0.8869 1.0717 1.0414
beta-Carboline_3 0.9734 0.8168 1.2097
beta-Carboline_4 0.9987 0.9403 1.0610
BETAINE 0.9508 1.0287 1.0204
Betamethasone 1.0421 0.9811 0.9768
Bilirubin 0.9478 0.8482 1.2040
Bis(2-chloroethyl)ether_1 1.0990 0.8330 1.0680
Bis(2-chloroethyl)ether_2 1.3498 0.3525 1.2977
Bombykal 1.9375 0.3897 0.6727
Boschnialactone_1 0.8614 1.0815 1.0571
Boschnialactone_2 0.9686 1.0227 1.0087
Botrydial_1 1.0226 0.9762 1.0012
Botrydial_2 1.0318 0.9532 1.0150
Buddledin A_1 1.0270 0.9628 1.0102
Buddledin A_2 1.0475 0.9906 0.9618
Buddledin A_3 1.0286 0.9744 0.9971
Buprenorphine 1.2765 0.8749 0.8486
Burseran 1.0643 0.8666 1.0691
C20913 1.0396 0.9225 1.0379
Calcitriol 1.8290 0.8787 0.3004
Calcium salicylate 0.9238 1.2458 0.8304
Callytriol C 1.0498 0.8541 1.0962
Calystegin B2_1 1.2616 0.6367 1.1017
Calystegin B2_2 1.0394 0.9596 1.0010
Calystegin B2_3 1.1566 0.6771 1.1663
Calystegin B2_4 0.4305 0.7949 1.7746
(+)-Camphor_1 1.3595 0.5416 1.0989
(+)-Camphor_2 1.1391 0.8749 0.9860
(+)-Camphor_3 1.0225 1.0631 0.9144
Carbamazepine 1.1718 NA 0.9141
Carbamorph 1.7339 0.9990 0.3588
Carpacin 2.3648 0.1698 0.4653
Castanospermine_1 1.1789 0.7995 1.0215
Castanospermine_2 1.1075 0.9279 0.9645
Castanospermine_3 0.7117 1.4522 0.8361
Catechol_1 0.8843 1.1352 0.9806
Catechol_2 0.6700 1.0585 1.2715
CCCP 0.9546 1.1592 0.8862
Cerulenin 1.0083 0.9213 1.0704
Chloromethiuron 0.9937 1.0122 0.9941
Chrysoidine free base 1.0453 0.8748 1.0799
Cidofovir 1.0551 0.9896 0.9553
Cilastatin 1.9316 0.3639 0.7045
Cinnamaldehyde 0.8150 1.3544 0.8305
cis-1,2-Dihydro-3-ethylcatechol_1 0.9358 0.9478 1.1163
cis-1,2-Dihydro-3-ethylcatechol_2 0.9736 0.9068 1.1196
cis-1,2-Dihydronaphthalene-1,2-diol_1 1.0120 1.0663 0.9218
cis-1,2-Dihydronaphthalene-1,2-diol_2 1.0660 0.9643 0.9697
cis-1,2-Dihydronaphthalene-1,2-diol_3 0.9159 0.9823 1.1018
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate 1.0657 0.9772 0.9571
cis-2-Carboxycyclohexyl-acetic acid_1 1.1283 1.0549 0.8167
cis-2-Carboxycyclohexyl-acetic acid_2 1.0077 1.0674 0.9249
cis-Aconitate 0.6572 1.0619 1.2810
CITRATE 0.7452 0.9393 1.3155
CITRULLINE 1.1695 0.9103 0.9203
CMN 131 1.0496 0.9676 0.9829
Coenzyme B 0.7938 1.0577 1.1485
(-)-Columbianetin 1.0868 0.9371 0.9787
Coniferyl alcohol_1 0.9706 0.8923 1.1371
Coniferyl alcohol_2 1.4059 0.7221 0.8720
Corticosterone 0.7952 1.5023 0.7025
Cortisol 1.0622 0.9368 1.0010
Cortisone 0.7522 0.6929 1.5549
Coumarin_1 1.0078 0.9902 1.0020
Coumarin_2 0.9440 0.8991 1.1568
Creatine 1.0287 1.0405 0.9308
CREATINE 0.8613 1.2302 0.9085
CREATININE 0.9667 1.0317 1.0015
Crotanecine_1 0.7749 0.9932 1.2319
Crotanecine_2 0.4126 0.3348 2.2526
Cucurbic acid_1 1.0208 0.9706 1.0086
Cucurbic acid_2 1.0231 1.0095 0.9674
Cucurbic acid_3 0.9756 0.9836 1.0409
Cucurbitine_1 1.1721 0.7435 1.0843
Cucurbitine_2 1.1855 0.6116 1.2028
Cumene 0.8921 0.9985 1.1094
Cycasin_1 0.8398 0.5559 1.6421
Cycasin_2 1.1478 0.8464 1.0058
Cycloheptanecarboxylic acid_1 0.9133 1.1103 0.9764
Cycloheptanecarboxylic acid_2 0.8004 1.4026 0.7970
Cycloheptanecarboxylic acid_3 0.9018 1.1226 0.9756
Cyclohexane-1,3-dione_1 0.9886 0.9966 1.0149
Cyclohexane-1,3-dione_2 0.9473 0.6811 1.3716
Cyclohexane-1,3-dione_3 1.1059 0.9163 0.9778
Cyclohexanone 1.0013 1.0328 0.9658
Cyclohexylamine_1 0.8200 1.0563 1.1237
Cyclohexylamine_2 0.8313 1.0516 1.1172
Cyphenothrin 1.8075 0.3266 0.8659
CYTIDINE 0.4331 0.9241 1.6428
Cytosine_1 0.9993 0.9358 1.0648
Cytosine_2 0.4257 1.0041 1.5702
Daimuron 0.5025 2.3173 0.1803
D-Alanyl-D-alanine_1 1.1354 0.3667 1.5291
D-Alanyl-D-alanine_2 0.8990 0.8363 1.2647
D-(-)-ARABINOSE 0.9552 1.0602 0.9846
Debrisoquin 1.7259 1.2884 0.0196
Deethylatrazine 1.0326 0.9627 1.0047
Dehydroalanine_1 0.9216 1.0183 1.0601
Dehydroalanine_2 1.1514 0.9046 0.9440
Dehydroalanine_3 1.4415 0.5173 1.0412
Dehydroalanine_4 0.8111 1.0092 1.1797
delta-Guanidinovaleric acid_1 1.0350 1.0745 0.8904
delta-Guanidinovaleric acid_2 0.9049 0.8231 1.2720
DEOXYCARNITINE 0.8643 1.0341 1.1016
Deoxycytidine 1.1149 1.2083 0.6768
Deoxyvasicinone 1.1726 0.7485 1.0788
D-GLUCONO-1,5-LACTONE 1.2884 0.7593 0.9523
D-Glucosamine 0.5656 0.8686 1.5658
D-(+)-GLUCOSAMINE 0.9038 1.1451 0.9511
D-Glucose_1 1.0278 1.0607 0.9115
D-Glucose_2 1.2257 0.9756 0.7987
Diacetyl_1 1.3103 0.6762 1.0135
Diacetyl_2 0.8523 1.1881 0.9597
Diacetyl_3 0.8578 1.1850 0.9572
Diethanolamine 0.9302 1.1104 0.9594
Diethyl 2-methyl-3-oxosuccinate 0.7623 1.0041 1.2336
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1 0.9069 0.9990 1.0940
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2 0.4368 0.9293 1.6892
Diethylene glycol_1 1.0358 1.0472 0.9170
Diethylene glycol_2 0.9769 1.0536 0.9695
Diethyl sulfate 1.4334 0.6786 0.8609
Diethylthiophosphoric acid 0.9965 1.0974 0.9062
Digallate 1.2394 1.0737 0.7852
Dihydro-4,4-dimethyl-2,3-furandione 0.9347 1.0309 1.0344
Dihydroclavaminic acid_1 0.8637 1.1325 1.0038
Dihydroclavaminic acid_2 1.1370 0.7422 1.1208
Diisopropyl phosphate 1.1984 0.9783 0.8234
Diisopropyl phthalate_1 1.0272 0.8562 1.1165
Diisopropyl phthalate_2 1.1594 0.9662 0.8744
Dikegulac 0.9902 0.7973 1.2125
Diltiazem 1.2132 0.9490 0.8257
Dimethachlor_1 1.1570 0.8820 0.9610
Dimethachlor_2 1.1574 1.0183 0.8673
Dimethylcarbamoyl chloride 0.8939 1.2061 0.9000
Dimethylenetriurea 0.9284 0.7983 1.2646
Dinotefuran 1.0260 1.0291 0.9449
Diphenhydramine 2.8079 0.0015 0.0210
Distigmine 1.0352 0.9765 NA
D-Lysopine_1 1.2119 0.6631 1.1250
D-Lysopine_2 1.2013 0.7035 1.0952
D-Lysopine_3 0.6746 0.7245 1.6896
D-Octopine_1 1.9837 0.4886 0.5277
D-Octopine_2 0.4513 1.3342 1.1593
Dodecanamide 1.0038 0.9987 0.9975
Dodemorph 1.0054 1.0242 0.9704
D-Ribose 1.2749 0.8496 0.8756
D-SORBITOL 1.0652 1.3691 0.5656
dUMP 0.9240 1.2053 0.8707
D-Xylonate 1.2447 0.8335 0.9218
(E)-4-(Trimethylammonio)but-2-enoate_1 1.1093 0.8585 1.0323
(E)-4-(Trimethylammonio)but-2-enoate_2 1.1420 0.8585 0.9995
(E)-4-(Trimethylammonio)but-2-enoate_3 1.0806 0.9302 0.9892
(E)-4-(Trimethylammonio)but-2-enoate_4 1.0672 1.0587 0.8742
(E)-4-(Trimethylammonio)but-2-enoate_5 0.0621 0.1945 2.7434
Ectoine 1.0487 0.8612 1.0901
EDTA 0.7699 0.8112 1.2453
Emedastine 2.0962 0.8325 0.6193
epsilon-Caprolactam_1 0.9776 1.0303 0.9921
epsilon-Caprolactam_2 1.0887 0.9374 0.9739
Estradiol-17beta 3-sulfate 1.0800 1.1150 0.8051
Ethosuximide_1 1.0626 0.9172 1.0202
Ethosuximide_2 1.1131 0.9204 0.9665
Ethosuximide_3 0.9315 1.0602 1.0083
Ethosuximide_4 0.9978 1.0025 0.9997
Ethosuximide_5 1.0064 0.8948 1.0988
Ethyl cinnamate 0.9288 0.7992 1.2720
Ethyl tiglate 1.1089 0.8724 1.0187
Etidronic acid 1.1576 0.7659 1.0764
Etodolac 0.9703 1.0860 0.9436
Etomidate 0.9126 0.6831 1.4042
Euxanthone 0.9736 1.1107 0.9156
Fagomine_1 1.1138 0.7115 1.1748
Fagomine_2 0.9522 1.0358 1.0120
Fagomine_3 1.0167 0.8637 1.1196
Fagomine_4 1.1261 0.7073 1.1666
Fasoracetam 1.0224 0.8434 1.1342
Fenoldopam 1.0354 0.8826 1.0820
Fenpropathrin 2.5182 0.0955 0.3863
Feruloylputrescine 1.0994 0.6200 1.2806
Fexofenadine_1 1.2775 0.6481 1.0744
Fexofenadine_2 0.8763 0.7228 1.4008
Fexofenadine_3 1.1619 0.9498 0.8882
Fexofenadine_4 0.5985 1.0663 1.3352
Flumethasone 0.9929 1.0679 0.8714
Fluorene 2.3748 0.0058 0.6193
Fuberidazole 1.2598 0.8682 0.8720
Fumarate 1.0260 0.9786 0.9953
Furathiocarb 1.8360 0.3944 0.7696
Furfural diethyl acetal_1 0.9303 1.0631 1.0066
Furfural diethyl acetal_2 0.9692 0.9391 1.0916
Furfuryl alcohol 0.9216 1.1006 0.9778
Furmecyclox 1.1546 0.5547 1.3372
gamma-Coniceine 1.0404 0.9870 0.9726
Glutarate_1 0.9087 1.0903 1.0010
Glutarate_2 1.0089 1.1564 0.8348
Glutarate_3 0.8175 1.1422 1.0403
Glutathione 1.0231 0.9864 0.9905
(-)-Glyceollin I 0.5636 0.9006 1.5359
Glycerol 0.9663 0.7390 1.2948
GLYCEROL 0.9645 0.7675 1.2680
Glycerone_1 0.9046 1.3502 0.7452
Glycerone_2 0.9216 1.0878 0.9906
Glycidyl oleate 0.9244 1.1911 0.8845
Glycine 1.0034 1.0737 0.9228
GLYCINE 0.9753 1.0641 0.9606
Glycocholate 0.6883 1.2538 1.0579
Glycodeoxycholate_1 0.6256 1.2581 1.1163
Glycodeoxycholate_2 1.0259 0.8875 1.0866
Glycyl-leucine_1 1.2152 0.7262 1.0586
Glycyl-leucine_2 1.0834 0.6675 1.2491
Glycyl-leucine_3 1.0476 0.7931 1.1593
Glycyl-leucine_4 0.7483 0.8770 1.3747
Glycyl-leucine_5 0.6877 0.9290 1.3833
Glycyrrhetinate 0.3341 3.2140 0.0986
Guanfacine NA NA NA
GUANIDINOACETATE 0.9554 1.0436 1.0009
GUANINE 0.8426 1.0814 1.0760
GW 1929 1.3471 0.9139 0.9113
Gymnodimine 1.1891 0.8963 0.9146
Hercynine 1.0100 0.9732 1.0168
Hetacillin 1.4994 0.0012 NA
Hexylamine 1.0063 0.9968 0.9969
Hippurate 0.3361 0.3756 2.2883
Histamine 1.1578 0.7961 1.0461
HISTAMINE 0.9682 1.1037 0.9282
Homogentisate 0.3990 2.2432 0.3177
Homostachydrine_1 0.8880 1.0051 1.1068
Homostachydrine_2 0.9237 0.9531 1.1233
Homostachydrine_3 1.0172 0.9990 0.9838
Homostachydrine_4 0.9235 1.3658 0.7106
Homostachydrine_5 0.1974 0.3455 2.4571
Hydrocortisone succinate 0.8636 1.6519 0.5532
Hypaphorine 0.9662 0.9321 1.1016
Hypoxanthine 0.9544 1.0690 0.9766
HYPOXANTHINE 1.0672 1.0478 0.8850
Imidacloprid NA NA NA
IMP NA 1.0000 NA
Indan-1-ol 1.0931 0.9501 0.9568
Indole_1 1.0109 0.9845 1.0046
Indole_2 1.2590 0.5647 1.1764
Indole_3 0.3003 0.3541 2.3456
Indole-3-acetaldehyde_1 0.9957 1.0161 0.9882
Indole-3-acetaldehyde_2 1.3824 0.2851 1.3325
Indole-3-acetaldehyde_3 0.8217 1.0752 1.1031
Indole-3-acetate_1 0.9811 0.9523 1.0666
Indole-3-acetate_2 0.9116 0.8929 1.1955
Indole_4 1.1745 0.7052 1.1203
Indole-5,6-quinone 1.1884 0.8467 0.9648
Indolelactate_1 0.9439 0.9925 1.0636
Indolelactate_2 0.7878 1.0698 1.1424
Indospicine_1 0.9702 1.0007 1.0291
Indospicine_2 0.7548 0.8451 1.3904
Inosine 0.9678 1.0512 0.9810
Isobutyronitrile_1 0.8965 1.1291 0.9744
Isobutyronitrile_2 1.1180 0.8149 1.0671
Isobutyronitrile_3 1.4748 0.6405 0.8847
Isoquinoline_1 1.0045 1.0087 0.9867
Isoquinoline_2 1.0573 0.9262 1.0165
Isoquinoline_3 0.9653 0.9676 1.0671
Isoquinoline_4 1.0353 1.0646 0.9001
Isoquinoline_5 1.0196 0.9095 1.0709
Isoquinoline_6 0.9224 0.9428 1.1348
Isoquinoline_7 0.8406 1.0784 1.0810
Isovalerylcarnitine 0.8565 0.9072 1.2363
Istamycin C1 1.1076 1.0000 0.8924
Janthitrem C_1 0.9692 0.9534 1.0774
Janthitrem C_2 1.1849 0.6662 1.1489
(-)-Jasmonic acid 0.6776 0.3868 1.9357
L-2,3-Dihydrodipicolinate 0.0313 2.4547 0.4000
L-2,4-Diaminobutanoate 1.0404 0.7060 1.2536
L-2-Aminoadipate_1 1.4296 0.9426 0.6278
L-2-Aminoadipate_2 0.8856 1.0656 1.0488
L-Alanine 0.9296 1.1365 0.9339
L-Albizziine_1 0.9725 1.0131 1.0144
L-Albizziine_2 1.0419 0.7406 1.2175
L-ALLOTHREONINE 0.8766 0.9819 1.1416
L-ARGININE 0.9985 1.0128 0.9887
L-Asparagine 1.6752 0.9241 0.4007
L-ASPARAGINE 1.0166 1.0534 0.9301
L-Aspartate 1.0297 1.0629 0.9074
L-Aspartate 4-semialdehyde_1 1.0481 1.0426 0.9093
L-Aspartate 4-semialdehyde_2 0.9731 1.1049 0.9220
L-Aspartate 4-semialdehyde_3 1.3205 0.9282 0.7513
L-CARNITINE 0.9296 1.0018 1.0686
L-Cysteate 0.9783 1.1131 0.9086
L-CYSTEIC ACID 1.0615 0.8925 1.0460
LEUCINE 1.0195 0.9586 1.0219
Levetiracetam_1 1.1718 0.8511 0.9771
Levetiracetam_2 1.1169 0.8605 1.0225
Levetiracetam_3 1.0157 1.0053 0.9790
Levetiracetam_4 1.2335 0.5405 1.2261
L-Glutamate 1.1523 0.4079 1.4398
L-GLUTAMINE 0.9704 1.0182 1.0114
L-Histidine 1.1964 0.8050 0.9986
L-HISTIDINE 0.9957 1.0224 0.9818
L-Histidinol_1 0.9861 0.8705 1.1434
L-Histidinol_2 1.1741 0.6728 1.1531
Lichenin 0.9301 1.0882 0.9817
(-)-Limonene_1 0.9907 0.7817 1.2276
(-)-Limonene_2 0.9547 0.9834 1.0619
(-)-Limonene_3 1.2220 0.7675 1.0104
Linamarin_1 0.8673 0.9981 1.1346
Linamarin_2 0.7996 1.1134 1.0870
Linoleate_1 1.2566 0.6234 1.1200
Linoleate_2 1.1265 0.8789 0.9946
Linoleate_3 1.3937 0.4971 1.1092
L-ISOLEUCINE 1.0175 0.9602 1.0223
L-Kynurenine 0.9973 0.9717 1.0310
L-Leucine_1 0.8270 1.3287 0.8443
L-Leucine_2 0.0248 2.9479 0.0273
L-Lysine 1,6-lactam 0.6216 1.0603 1.3181
L-Methionine 1.0050 1.0542 0.9408
L-Methionine S-oxide_1 0.9784 1.0246 0.9971
L-Methionine S-oxide_2 0.7045 1.9710 0.3245
L-Octanoylcarnitine 1.0582 0.6393 1.3025
Lophocerine 1.7232 0.2213 1.3733
Lophophorine 1.1238 0.7991 1.0771
L-Phenylalanine 1.0009 0.9555 1.0436
L-Pipecolate_1 1.0646 0.9266 1.0089
L-Pipecolate_2 0.9802 0.9161 1.1037
L-Pipecolate_3 1.1313 0.8831 0.9856
L-Pipecolate_4 0.8898 0.9676 1.1426
L-PIPECOLIC ACID 0.8526 1.1159 1.0315
L-PROLINE 0.8774 1.1655 0.9571
L-Rhamnose 0.9934 0.9941 1.0125
L-SERINE 0.9926 0.9772 1.0302
L-THREONINE 0.9056 1.0992 0.9952
L-Tryptophan_1 1.0366 0.9570 1.0064
L-Tryptophan_2 1.0346 0.8914 1.0740
L-Tyrosine_1 1.0054 0.9767 1.0179
L-Tyrosine_2 1.0378 0.7554 1.2068
L-Tyrosine_3 1.1160 0.8917 0.9923
L-Tyrosine methyl ester 1.2810 0.4779 1.2411
Lycodine 0.8848 1.2495 0.8477
Maculosin 1.3797 0.5613 1.0590
Maleamate 1.0597 0.9373 1.0030
Mandelonitrile_1 1.2677 0.6998 1.0325
Mandelonitrile_2 1.0685 1.1052 0.8264
Mannitol_1 1.1052 0.7164 1.1785
Mannitol_2 1.1011 1.3941 0.5048
Mannopine 1.0937 0.6202 1.2861
MANNOSE 0.9446 1.0846 0.9708
Meloxicam NA NA 1.0000
(-)-Menthyl acetate_1 1.0165 0.9941 0.9894
(-)-Menthyl acetate_2 1.0146 1.0185 0.9669
(-)-Menthyl acetate_3 1.0562 0.9810 0.9628
Metaxalone 0.6238 0.9448 1.4314
Metformin 2.4382 0.0758 0.9655
Methaphenilene 1.0139 0.9396 1.0465
Methyl 2-diazoacetamidohexonate_1 1.0182 0.6220 1.3598
Methyl 2-diazoacetamidohexonate_2 0.9411 1.0168 1.0422
Methyl 2-diazoacetamidohexonate_3 1.0271 1.0929 0.8800
Methyl acetyl ricinoleate 1.0385 1.1395 0.8220
Methyleugenol_1 1.0649 0.9414 0.9937
Methyleugenol_2 0.9513 1.0637 0.9850
Methyleugenol_3 0.9075 1.0621 1.0303
Methyleugenol_4 0.9720 1.0898 0.9382
Methylguanidine 0.7245 1.1373 1.1220
Methylimidazoleacetic acid_1 1.0297 1.0323 0.9379
Methylimidazoleacetic acid_2 1.0111 0.8816 1.1073
Methylimidazoleacetic acid_3 0.9882 1.0193 0.9925
METHYL INDOLE-3-ACETATE 1.0783 0.9083 1.0134
Metipranolol 0.8047 0.4604 1.7647
Monodehydroascorbate 0.9410 1.1268 0.9323
Montanin A 1.3849 0.7937 0.8213
Morphine 0.9035 1.1211 0.9754
Murrayanine 1.8131 0.0008 0.3731
Myxalamid A 0.8543 1.1057 1.0400
N1-Acetylspermidine 0.9234 1.1659 0.9107
N1-Methyl-2-pyridone-5-carboxamide 0.8597 1.0474 1.0928
N2-Acetyl-L-aminoadipate 0.8534 0.7497 1.3969
N-(2-Methoxyphenyl)-N^-(2-naphtyl)urea 1.0000 NA NA
N5-Phenyl-L-glutamine_1 1.0764 0.9409 0.9826
N5-Phenyl-L-glutamine_2 1.3439 0.4457 1.2104
N6-Acetyl-N6-hydroxy-L-lysine 0.8583 1.0285 1.1133
N-(6-Aminohexanoyl)-6-aminohexanoate 1.1854 0.6254 1.1891
N6-(delta2-Isopentenyl)-adenine 1.0573 0.8989 1.0438
N6-Methyl-L-lysine 0.8880 1.1915 0.9205
N-Acetoxy-4-aminobiphenyl 1.2277 0.9303 0.8674
N-ACETYL-D-GALACTOSAMINE 0.8776 1.0178 1.1046
N-Acetyl-D-tryptophan 0.7706 0.8942 1.3353
N-ACETYLGLYCINE 1.0189 1.0524 0.9286
N-Acetylimidazole_1 1.2257 0.7141 1.0602
N-Acetylimidazole_2 0.9885 0.9690 1.0425
N-ACETYL-L-ALANINE 1.0213 0.9912 0.9874
N-Acetyl-L-citrulline 1.0706 0.8746 1.0548
N-Acetyl-L-leucine_1 0.8733 1.0001 1.1266
N-Acetyl-L-leucine_2 1.1187 0.7327 1.1486
N-Acetyl-L-leucine_3 0.8680 0.9779 1.1541
N-Acetyl-L-leucine_4 0.9478 1.0713 0.9809
N-Acetyl-L-leucine_5 1.1009 0.9251 0.9740
N-Acetyl-L-phenylalanine 0.7602 0.8942 1.3457
N-Acetylmethionine 0.9619 0.4204 1.6596
N-Acetylornithine_1 1.0201 0.9450 1.0349
N-Acetylornithine_2 1.1814 0.7061 1.1126
N-Acetylornithine_3 1.1684 0.6750 1.1566
N-Acetylornithine_4 0.8335 1.0027 1.1638
N-(Acetyloxy)benzenamine_1 2.0584 0.4036 0.5379
N-(Acetyloxy)benzenamine_2 2.7262 0.0502 0.2235
N-Acetylputrescine 2.5236 0.0403 0.0342
N-ACETYLPUTRESCINE 0.6728 0.9064 1.4209
Nalidixic acid_1 0.7577 1.0374 1.2049
Nalidixic acid_2 1.2191 0.8293 0.9517
Nalidixic acid_3 1.0594 0.7239 1.2167
Nalidixic acid_4 0.8394 0.8415 1.3192
Nalidixic acid_5 1.0303 0.4977 1.4721
N-Amidino-L-glutamate 1.2189 0.7842 0.9969
N-Cyclohexylformamide_1 1.1248 0.7889 1.0863
N-Cyclohexylformamide_2 0.9927 0.8445 1.1628
N-Cyclohexylformamide_3 0.9942 0.7279 1.2779
N-Cyclopropylammeline 2.3043 0.0021 0.7577
Nebularine 0.6556 1.2319 0.8630
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 0.9034 1.0253 1.0712
N-Ethylglycocyamine 1.0535 0.9647 0.9818
N-Ethylmaleimide 1.2903 0.9814 0.7283
Netilmicin 1.1417 0.9368 0.9214
N-Formimino-L-glutamate 1.0786 0.9892 0.9323
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine 0.8121 0.9572 1.2307
N-FORMYLGLYCINE 0.9204 1.1983 0.8813
N-Formylmethionine 1.2155 0.6963 1.0704
N-Heptanoylhomoserine lactone 1.0962 1.0015 0.9023
N-Hydroxy-L-valine 1.0848 0.7695 1.1457
Nicotinamide 1.0309 0.9955 0.9735
NICOTINAMIDE 1.0460 0.9685 0.9855
NICOTINATE 0.5789 0.9158 1.5054
Nicotyrine 1.0256 0.9700 1.0044
N-Isopropylammelide_1 1.0839 0.9708 0.9453
N-Isopropylammelide_2 1.2332 0.7711 0.9957
N-Isopropylammelide_3 0.8626 1.3773 0.7602
Nitrofurazone_1 1.0319 1.0418 0.9262
Nitrofurazone_2 0.9886 1.0890 0.9225
N-Methyl-2-pyrrolidinone_1 1.1681 1.0777 0.7542
N-Methyl-2-pyrrolidinone_2 1.0804 0.9802 0.9394
N-Methyl-2-pyrrolidinone_3 1.1139 0.7820 1.1041
N-Methyl-2-pyrrolidinone_4 0.9986 0.8662 1.1352
N-Methyl-2-pyrrolidinone_5 1.2892 0.7064 1.0044
N-METHYL-D-ASPARTIC ACID 0.8415 1.0749 1.0836
N-Methyl-N^-nitro-N-nitrosoguanidine 0.9635 1.1095 0.9269
N-Methylpelletierine_1 0.7070 1.4373 0.8557
N-Methylpelletierine_2 0.5049 1.1561 1.3389
N,N^-Diacetylhydrazine 1.2800 0.6000 1.1200
N,N-Dimethylhistidine 1.3673 0.4673 1.1655
N-Nitrosoguvacoline_1 1.0715 0.8292 1.0992
N-Nitrosoguvacoline_2 1.0135 0.9684 1.0182
N-Nitrosopiperidine_1 1.1712 0.7973 1.0315
N-Nitrosopiperidine_2 0.8144 0.9656 1.2200
Nona-2,6-dienal 0.9703 1.0466 0.9831
Nonane-4,6-dione 0.9496 1.1583 0.8921
(+)-Norephedrine 0.8466 1.0781 1.0663
N(PAI)-METHYL-L-HISTIDINE 0.9855 1.0119 1.0026
N-Phosphohypotaurocyamine 0.9779 0.9482 1.0739
N-Trimethyl-2-aminoethylphosphonate_1 1.0238 0.9577 1.0185
N-Trimethyl-2-aminoethylphosphonate_2 0.9362 1.0479 1.0159
Nuatigenin 1.2093 0.8792 0.9115
O-Butanoylcarnitine_1 0.8870 0.9416 1.1715
O-Butanoylcarnitine_2 2.0026 0.5200 0.5081
Octanoic acid 1.0965 0.9519 0.9516
Octylamine 1.0055 1.0052 0.9893
O-Decanoyl-L-carnitine 1.0983 0.6367 1.2650
Oleoylethanolamide 1.7005 0.5207 0.7789
O-Propanoylcarnitine_1 0.9586 0.9588 1.0826
O-Propanoylcarnitine_2 1.7165 0.6054 0.6781
O-Propanoylcarnitine_3 1.8726 0.3452 0.7052
O-Propanoylcarnitine_4 1.0979 0.8191 1.0830
Orcinol 1.0097 1.0904 0.8999
Ornaline 1.0836 0.9217 0.9947
Otonecine_1 0.8075 1.2478 0.9447
Otonecine_2 1.0321 0.7812 1.1868
O-Ureido-L-serine 1.1466 0.9173 0.9362
Oxidized Latia luciferin 0.9462 1.1000 0.9538
Pantothenate_1 0.9745 1.0601 0.9654
Pantothenate_2 0.9926 1.0510 0.9564
Paramethadione_1 0.8524 1.0002 1.1474
Paramethadione_2 1.0706 0.8493 1.0801
Paramethadione_3 0.9737 1.2202 0.8062
Paramethadione_4 0.8548 1.2647 0.8805
p-Benzoquinone_1 0.9041 1.1165 0.9794
p-Benzoquinone_2 0.7563 1.1561 1.0876
p-Benzosemiquinone 1.8716 0.1555 0.9107
p-Cumate 1.5174 0.6911 0.7915
Peganine 1.1557 0.8355 1.0088
Penitrem D_1 0.9900 0.9901 1.0200
Penitrem D_2 0.7777 0.9852 1.2370
Pentachloroethane 0.9791 0.9918 1.0291
Pentanamide 1.2417 0.8716 0.8867
Phenacetin 0.5810 1.0553 1.3638
Phendimetrazine_1 1.0568 0.9377 1.0056
Phendimetrazine_2 0.9268 1.1056 0.9676
Phenmetrazine 1.0614 1.0045 0.9342
Phenyl acetate 0.9225 0.7668 1.3107
Phenylacetylglutamine 1.2624 0.8837 0.8539
Phenylhydrazine 0.9212 1.0275 1.0513
Phenylpyruvate 1.0007 0.9799 1.0194
Phosphoagmatine 0.8395 0.9467 1.2423
Phosphodimethylethanolamine 1.1765 0.8443 0.9792
Phthalate 1.0252 0.9916 0.9832
Phytuberin_1 1.0292 0.9749 0.9959
Phytuberin_2 1.0298 0.9685 1.0017
Piperidine_1 1.0273 0.9427 1.0300
Piperidine_2 1.0224 0.9472 1.0303
Piperidione_1 0.8273 1.0008 1.1719
Piperidione_2 0.9655 1.0294 1.0051
Piperidione_3 1.0347 0.7811 1.1842
Piperidione_4 0.9597 0.8896 1.1506
Pirbuterol 0.9544 0.8831 1.1624
Pirimicarb 0.8635 1.0505 1.0859
Porphobilinogen 0.6892 1.2055 1.1053
Precocene II 1.0132 1.0069 0.9799
Prekinamycin 0.9763 0.8900 1.1338
Prenol 1.4102 0.8813 0.7086
Prenyl caffeate 1.0393 1.1432 0.8174
Propanoate 0.9477 0.7669 1.2854
Propyl cinnamate 0.8313 1.0626 1.1206
Protoanemonin 0.9017 1.1182 0.9801
Pseudopelletierine 0.9171 0.8659 1.2170
Pulcherriminic acid 0.9198 1.0444 1.0358
p-Xylene 0.9814 0.8323 1.1863
Pyridostigmine 1.0069 1.0826 0.9105
Pyridoxal 0.9834 1.1379 0.8786
Pyridoxamine_1 1.0154 0.9383 1.0463
Pyridoxamine_2 0.8306 1.0366 1.1328
PYRIDOXINE 0.5870 0.9003 1.5127
QUINATE_1 0.1840 0.2773 2.5387
QUINATE_2 0.2507 0.2954 2.4539
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 1.0542 0.9678 0.9780
Rehmaionoside C 1.8376 0.9513 0.2841
Retronecine 1.2154 1.0283 0.7564
Ripazepam 1.0623 0.8269 1.1108
Rishitin 0.7963 1.1875 1.0162
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1 0.9765 0.9547 1.0688
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2 1.0720 0.9432 0.9848
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3 0.8850 1.1519 0.9631
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4 1.1427 0.8665 0.9908
Saccharin sodium anhydrous_1 0.9081 1.1998 0.8920
Saccharin sodium anhydrous_2 0.9820 1.1246 0.8933
S-Allyl-L-cysteine_1 1.0187 1.1801 0.8012
S-Allyl-L-cysteine_2 0.8909 0.9496 1.1594
S-Allyl-L-cysteine_3 0.9978 1.0081 0.9938
S-Allyl-L-cysteine_4 1.1131 1.0693 0.7212
S-Allyl-L-cysteine_5 0.1573 1.9699 0.7630
SARCOSINE 0.8601 1.2405 0.8995
(S)-ATPA_1 0.9445 0.9784 1.0772
(S)-ATPA_2 0.5829 1.2236 1.1936
Sebacic acid_1 0.9874 1.0552 0.9574
Sebacic acid_2 1.0003 0.9722 1.0275
Sebacic acid_3 0.9465 0.8559 1.1976
Serotonin 2.6512 0.0057 0.4556
Shikimate 0.3114 1.0558 1.6793
Sinapyl alcohol 2.2526 0.2161 0.5313
Sodium ortho-phenylphenate 1.4581 0.9904 0.5515
Sodium sulfate 1.0498 1.1867 0.7635
Sphingosine_1 1.2660 0.8407 0.8933
Sphingosine 1-phosphate 1.2113 0.9077 0.8934
Sphingosine_2 1.1363 0.8547 1.0090
Stovaine_1 0.6349 0.7791 1.5659
Stovaine_2 1.2080 0.2720 1.5131
Styrene 1.0000 1.1712 0.8389
Suberic acid_1 1.0141 1.0119 0.9740
Suberic acid_2 0.0699 0.0654 2.8647
Suberic acid_3 0.9552 1.0527 0.9949
Succimer 1.1927 0.6315 1.1758
Succinate_1 0.9678 1.0308 1.0015
Succinate_2 1.1544 0.9249 0.9208
Succinic anhydride 0.8415 1.1962 0.9623
Succinimide_1 1.0232 1.0308 0.9460
Succinimide_2 1.0506 0.9922 0.9571
SUCROSE 0.4876 1.0999 1.4124
Sulcatone_1 1.0414 0.9649 0.9936
Sulcatone_2 1.0053 0.9888 1.0059
Sulfacetamide sodium anhydrous 0.9337 1.1781 0.8882
Sulfamethazine 1.0052 0.9908 1.0040
(-)-Sympatol_1 0.9878 0.9306 1.0816
(-)-Sympatol_2 1.0408 0.9986 0.9606
Tabtoxinine-beta-lactam_1 1.0343 0.6344 1.3313
Tabtoxinine-beta-lactam_2 1.0305 0.8094 1.1601
Tabtoxinine-beta-lactam_3 1.0392 0.6085 1.3523
TAURINE 0.9547 1.0659 0.9794
Taurocyamine 0.6700 1.1355 1.2799
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1 1.3190 0.7458 0.9352
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2 1.8051 0.5760 0.6189
Terpendole E 1.3164 0.7982 0.8854
Terpendole G 1.8676 0.6641 0.4683
TES NA NA NA
Thiomorpholine 3-carboxylate_1 0.8804 1.1930 0.9266
Thiomorpholine 3-carboxylate_2 0.6962 1.9955 0.3083
Thiomorpholine 3-carboxylate_3 0.9947 1.5686 0.2477
Thymine 0.9600 0.9962 1.0438
THYMINE 0.7313 0.8528 1.4159
Tolmetin sodium 0.8486 1.0849 1.0664
Toluene-cis-dihydrodiol_1 0.9340 0.9603 1.1058
Toluene-cis-dihydrodiol_2 0.2150 0.4358 2.3492
Toluene-cis-dihydrodiol_3 0.4706 0.6090 1.9204
Tolylacetonitrile_1 1.0209 0.9759 1.0032
Tolylacetonitrile_2 1.1975 0.7009 1.1015
Tos-Lys-CH2Cl 1.0256 0.9648 1.0096
TRANS-CINNAMATE 0.9039 1.2092 0.8868
trans-Cinnamate_1 1.0001 0.9603 1.0396
trans-Cinnamate_2 0.9891 1.0220 0.9889
Transfluthrin 1.1468 NA 0.5596
Traumatic acid 0.9816 0.9752 1.0433
Tremetone 1.0095 1.0239 0.9666
Trimethylamine N-oxide 0.8234 0.9226 1.2540
Tris(butoxyethyl)phosphate 1.1066 1.0029 0.8905
Tropinone 1.0791 1.0252 0.8956
Trp-P-1 1.0058 0.9891 1.0052
Tussilagine_1 1.0092 1.0039 0.9869
Tussilagine_2 0.6718 1.1236 1.2046
Tussilagine_3 0.9303 1.3391 0.7307
Tyramine_1 1.0132 0.9792 1.0076
Tyramine_2 1.0420 0.9972 0.9608
Uracil 0.8301 1.1177 1.0523
URACIL 0.7844 0.9941 1.2214
URATE 0.9160 1.1051 0.9789
Ureidoacrylate 0.7185 1.2739 1.0076
Uridine_1 0.8530 1.0766 1.0704
Uridine_2 1.0079 0.9642 1.0280
Urocanate_1 1.0800 1.1471 0.7729
Urocanate_2 0.9007 1.1812 0.9181
Vanillyl alcohol 0.8287 0.9669 1.2044
Warfarin 0.9592 1.0157 1.0250
Xanthan 0.9991 1.0167 0.9842
Xanthine 0.9122 1.1186 0.9691
XYLITOL 0.8295 1.1089 1.0616
ZAPA 1.1204 0.9618 0.9178
Zeatin 0.8155 1.0497 1.1348
Zingerone 1.0701 0.9557 0.9742
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment :Baseline plasma
F2Treatment :Plasma after drinking apple juice
F3Treatment :Plasma after drinking cranberry juice
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