Data for (Study ST002759)

(Analysis AN004479)

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

MetaboliteF1F2F3F4F5
10-HDA 1.4642 1.0210 0.7356 1.3222 0.1260
10-oxo-8-decenoic acid 1.1285 0.7943 1.2227 1.5567 0.0794
10-Undecenoic acid 0.8536 1.1248 1.1924 1.0440 0.5289
(+/-)11(12)-EET 1.7999 0.7510 0.5650 1.6589 0.0514
11-Aminoundecanoic acid 1.7245 0.1536 1.4689 1.0696 0.0631
11-Nor-9-carboxy-thc 0.7718 2.1618 0.0649 1.9479 0.0560
1-(1-Pyrrolidinyl)-2-butanone 2.2419 0.3013 0.9636 0.6666 0.0664
1-(1-Pyrrolidinyl)acetone 0.8635 0.8008 1.5264 1.4149 0.1085
1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid 0.9941 0.6651 1.5866 1.3554 0.0301
1-(2-Deoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione 0.1706 0.2484 2.7478 1.5671 0.0157
1,3,7-Octanetriol 1.3718 1.1188 1.2442 0.1061 0.0569
1,3-Dipropylxanthine 0.6628 0.9707 1.6514 1.2866 0.0011
1-(3-Furyl)-1,4-pentanediol 1.2917 0.7325 1.2536 1.2241 0.0813
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid 0.5155 0.2136 2.3833 1.7063 0.0126
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.5241 0.3594 2.3090 1.4566 0.0619
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-imino-1,4-dihydro-2-pyrimidinol 1.1401 0.9971 1.1069 1.3897 0.0000
1-(4-Hydroxyphenyl)-1-decene-3,5-dione 0.3846 0.1902 2.7131 1.2729 0.0073
1-(4-Methyl-1-piperazinyl)-2-[(3R,4S)-3-({5-[4-(2-methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]ethanone 3.2709 0.1609 0.0347 0.8254 0.0083
15(R)-Lipoxin A4 1.4553 0.8193 0.8363 1.6944 0.0283
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one 0.9802 1.3436 0.8349 1.3497 0.2536
1-arachidonoyl-sn-glycero-3-phosphoethanolamine 1.5436 1.1672 0.7892 0.4326 0.3176
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine 0.9243 1.1490 1.3921 0.8275 0.0092
1-(beta-D-ribofuranosyl)thymine 0.9549 0.5935 1.7200 1.3288 0.0003
1-Isopropenyl-3-isopropylbenzene 1.3410 1.0663 1.3316 0.1365 0.0163
1-Linoleoyl glycerol 1.3722 0.9730 0.4357 2.2582 0.2896
1-Methyladenosine 0.8759 1.2984 1.0780 1.3556 0.0138
1-Methylhistidine 1.0516 1.1608 1.1411 1.1110 0.0052
1-Methylimidazoleacetic acid 1.0375 1.0470 1.2200 1.1680 0.0708
1-Oxo-1H-isochromene-3-carbaldehyde 0.7537 1.6224 0.8614 1.3784 0.0277
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 0.9628 1.0721 1.2203 1.3616 0.0005
1-Piperideine 0.9186 1.0974 1.3340 0.9809 0.1439
(1R,2S)-1-(7,8-Dihydro-6-pteridinyl)-1,2-propanediol 0.6922 0.6854 1.8886 1.2704 0.0641
(1R,9R)-5-(2-Methylphenyl)-11-(propylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 1.0435 1.3105 0.7629 1.4067 0.3008
(1R,9R)-N-(4-Fluorophenyl)-5-[(3-methoxypropanoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 0.9631 1.0005 1.3420 1.2333 0.0028
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âa⁰.0⁴,âa]hexadec-10-ene-5-carboxylic acid 0.1648 0.1056 2.9762 1.3515 0.0320
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic acid 0.7936 0.3858 2.0640 1.0769 0.3146
2-(1H-indol-3-yl)acetic acid 1.3670 0.4629 1.5252 1.0950 0.0172
2-[(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]-3-pyridinyl hydrogen sulfate 0.5367 2.1096 0.7373 1.0221 0.0188
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO) 0.7899 0.9313 1.0776 2.4945 0.0084
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid 0.7630 2.2495 0.3187 1.1655 0.0066
2,2^-Iminodipropan-1-ol 0.1728 0.3139 2.7746 1.3450 0.0016
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2-hydroxyethyl]-2-hydroxysuccinic acid 0.7786 0.3769 2.0778 1.4036 0.0131
2,3,4,9-Tetrahydro-1H-ß-carboline-3-carboxylic acid 0.7910 0.3953 2.0568 1.3562 0.0360
2,3-Methyleneglutaric acid 0.1797 2.9293 0.2652 0.9371 0.1275
2,3-Octadiene-5,7-diyn-1-ol 0.8942 1.0500 1.2979 1.3929 0.0019
2-(3-Phenylpropyl)pyridine 0.6254 0.6316 0.8341 4.1680 0.1041
2-[(3R,4S)-1-Benzoyl-3-ethyl-4-piperidinyl]-N-(4-fluorobenzyl)acetamide 3.3285 0.0973 0.0789 0.7321 0.0060
2444643WXK 0.9862 1.0942 1.0636 0.9883 0.6518
2,5-Dimethyl-4-ethoxy-3(2H)-furanone 0.7535 0.8250 1.6598 1.3421 0.0619
2,6-Diamino-4-hexenoic acid 0.9788 1.0230 1.2545 1.0331 0.3265
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol 1.5773 0.2031 1.6052 1.0125 0.0232
2-Acetamido-2-deoxy-3-O-(6-deoxy-alpha-L-galactopyranosyl)-D-glucose 0.6256 0.7733 1.9471 1.1246 0.0102
2-Acetamidooctanoic acid 3.0395 0.1977 0.1756 0.9405 0.0275
2-Acetyl-4-methylpyridine 0.8621 1.1196 1.0385 1.7834 0.1662
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid 1.1596 0.9143 1.0824 1.5749 0.0345
2^-Amino-2,3-biphenyldiol 0.6704 1.8875 0.7225 1.2932 0.0056
2-Amino-3-methoxybenzoic acid 1.1301 0.8559 1.2976 1.2863 0.0046
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)hexanoic acid (non-preferred name) 1.1493 1.1502 1.1855 0.7398 0.0475
2-amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropteridin-4-one 1.1292 0.8571 1.4597 0.8812 0.0038
2-Aminooctadec-4-yne-1,3-diol 1.7440 1.3291 0.0221 1.7425 0.0193
2-Arachidonoyl glycerol 0.9083 1.1882 1.1910 0.8076 0.4736
2-Butyl-5-ethyl-4-methyloxazole 1.4508 0.7836 1.2886 0.6543 0.0382
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid 1.5320 0.9501 1.1201 0.4872 0.0072
2-Decylfuran 1.2838 0.9091 0.9325 1.3970 0.2895
2^-Deoxycytidine 1.0701 1.1794 1.0364 1.2852 0.0001
2^-Deoxyinosine 1.0497 1.0684 1.1915 1.2191 0.0068
2-(Diethylamino)ethanol 0.5343 0.8386 1.6298 1.9928 0.0006
(2E)-2-[2-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)ethyl]but-2-enedioic acid 0.3762 1.4293 1.5919 0.9457 0.0609
(2E)-2-Octenal 0.9637 0.4167 1.8603 1.0929 0.3054
(2E,4E,7E)-2,4,7-Decatrienoic acid 0.5036 0.6417 2.1247 0.8233 0.5018
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide 1.2179 1.0686 1.0911 1.0521 0.0039
(2E,6Z)-Nona-2,6-dienal 0.7370 0.4870 2.2045 0.8962 0.0324
(2E)-decenoic acid 0.8200 0.4746 1.8548 1.4212 0.2051
2-Furoic acid 0.2800 3.0937 0.1202 0.6768 0.0884
2-Heptyl-3-(2,4-pentadiyn-1-yl)oxirane 1.5413 0.4050 1.3038 1.3285 0.0464
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spiro[cyclopentane-1,2^-naphthalene]-5^-carboxylic acid 1.0052 1.1657 1.0886 1.3001 0.0513
2-Hydroxy-4-(methylthio)butanoic acid 1.1842 1.1041 0.8285 0.8942 0.8138
2-Hydroxyhippuric acid 0.0661 0.0566 3.5843 0.2158 0.0170
2-hydroxysebacic acid 0.8607 0.4091 2.0157 1.2442 0.0421
2-Isobutyl-3-methylpyrazine 0.2171 0.1483 3.0689 0.9032 0.0110
2-Methyl-3-thioacetoxy-4,5-dihydrofuran 0.4729 2.2843 0.5235 1.2970 0.0014
2-Methylthiazolidine 1.2887 0.8882 1.1151 1.2685 0.0015
2-octadecanoyl-sn-glycero-3-phosphoethanolamine 0.5727 0.0742 0.9444 5.5053 0.0167
2-Oxindole 0.9515 0.4985 1.7982 1.3728 0.0067
2-oxohex-4-enoic acid 0.8786 0.6734 1.4886 1.8303 0.0684
2-Phenylethyl D-glucopyranoside 0.9818 1.3342 0.8474 1.3442 0.2471
2-Propionyl-1,4,5,6-tetrahydropyridine 1.1483 0.8992 0.9269 1.4335 0.6305
2-pyridylacetylglycine 1.3251 0.8155 1.1462 1.2687 0.0143
2-Quinolinecarboxylic acid 0.3978 1.8428 1.0996 1.1473 0.0022
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-icosenoate 0.8621 0.7225 1.6003 1.5289 0.0090
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl pentadecanoate 1.5581 1.1142 0.6655 1.0574 0.0981
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phosphate 1.0778 1.0587 0.8786 1.9604 0.0019
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 1.2192 1.0572 1.1248 0.9301 0.0666
(2S)-2-Amino-8-oxodecanoic acid 1.4100 0.4364 1.5201 1.0492 0.0345
(2S)-3-Phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) 0.9835 0.9890 1.5813 0.5983 0.0171
(2S)-4-Acetamido-2-aminobutanoic acid 1.0319 1.3617 0.9293 1.1566 0.0359
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid 0.7953 1.2228 1.4425 0.8321 0.0162
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one 0.6098 0.3214 2.2903 1.4405 0.0057
2S-Amino-tridecanoic acid 1.3402 0.2420 1.8246 0.9658 0.0171
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid 1.0175 1.1051 1.1085 1.4151 0.0071
(2Z)-2,4-Dihydroxy-2-heptenedioic acid 1.1488 1.0742 0.8158 0.9425 0.9606
(2Z,4Z,6Z)-2,4,6-Nonatrienal 1.0336 0.3389 1.9265 0.7813 0.4710
3-(1-Pyrrolidinyl)-2-pentanone 3.1442 0.1397 0.1160 0.9842 0.0161
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine 1.0184 1.0748 1.3272 0.8597 0.0895
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid 1.1964 0.9491 1.1086 1.2631 0.1016
3-(3,4-dihydroxyphenyl)propanoic acid 0.9235 0.9629 1.3796 1.3345 0.0004
3-(3-methylthio)propylmalic acid 1.1032 1.1547 0.7955 1.0552 0.8114
3,4-Dimethylbenzoic acid 1.2436 0.9398 1.1001 1.1426 0.1486
3-(4-hydroxy-3-methoxyphenyl)propanoic acid 0.7226 1.7506 0.8309 1.2376 0.0023
[3-(4-Methoxyphenyl)-2-oxiranyl]methanol 0.7972 0.9514 1.4968 1.2912 0.0952
3,4-Methylenesebacic acid 0.9099 0.5639 1.6958 1.1372 0.4389
3,5-di-tert-Butyl-4-hydroxybenzoic acid 1.0179 1.1607 1.0208 1.3668 0.1349
3-(5-Hydroxy-1H-imidazol-4-yl)propanoic acid 1.2579 0.8540 1.3934 0.6309 0.1057
3-Amino-2-naphthoic acid 0.5306 0.4696 2.3416 1.1301 0.0154
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol 1.0141 1.2176 1.0254 1.3565 0.0007
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid 0.6971 1.3600 1.3009 1.1048 0.0003
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one 0.7992 0.6868 1.7213 1.4792 0.0023
(3E)-3-propylidenephthalide 1.7174 0.0599 1.6254 0.9101 0.0830
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one 0.5982 1.8179 0.6929 1.7186 0.0088
3-Hydroxy-3-(2,3,4-trimethoxyphenyl)propanoic acid 1.0145 1.5073 1.1000 0.4216 0.0236
3-Hydroxy-5-methoxy-6-methyl-2,3-dihydro-4H-pyran-4-one 1.3305 0.8066 1.2790 0.8387 0.1207
3-Hydroxyanthranilic acid 0.4128 2.0090 0.9222 1.1310 0.0090
3-Indoleacetamide 1.1096 1.2721 1.0336 0.9602 0.0013
3-Indoleacetonitrile 1.1584 1.0837 1.0556 1.2487 0.0072
3-Methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-one 1.1498 1.1419 1.0029 1.1978 0.0657
3-Methylcrotonylglycine 0.8973 1.1343 1.3353 1.0199 0.0628
3-Nonanon-1-ol 1.3109 0.2396 1.7251 1.1593 0.1516
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione 0.5938 0.7605 1.9340 1.2720 0.0073
(3R)-3-(2-Hydroxyphenyl)-1-phenyl-1,4-pentanedione 2.1202 0.5131 0.7260 0.9652 0.1366
(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA 1.4634 0.6900 0.9780 1.6580 0.0133
3-Thiomorpholinecarboxylic acid 1.2507 1.2121 0.9571 0.9484 0.0018
3-Tropanol 1.1032 0.5860 1.4281 0.9622 0.7446
4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydro-2-furanol 1.2832 0.9692 1.0068 1.2807 0.0714
4-[(3-Acetamidopropyl)amino]butanoic acid 1.0778 0.7084 1.4679 1.3589 0.0060
4-(5-{5-[(2S)-1-(4-Pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)morpholine 0.9331 0.6101 1.6904 1.3467 0.0692
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid 0.3226 0.4803 2.4629 1.3222 0.0136
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)-3-methylbutanoic acid 1.8385 0.1012 1.4574 0.9857 0.0217
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane 0.2933 2.3852 0.1206 2.4364 0.0659
4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one 1.5958 0.2123 1.4847 1.1714 0.0967
4^,7-dimethoxy-2,2,4-trimethyl-Delta(3)-isoflavan 0.3125 0.2779 2.5796 1.3960 0.1790
4-ACETAMIDOBUTYRIC ACID 0.7788 0.5726 1.8128 1.1573 0.4322
4alpha-hydroxymethyl-4beta-methylzymosterol 0.7738 0.8709 1.5100 0.6282 0.9850
(4E)-2-Amino-3-oxo-4-decenoic acid 0.6455 1.0675 1.5509 1.3298 0.0105
4-Guanidinobutyric acid 0.6726 0.5930 2.0886 1.1102 0.0042
4-Hydroxybenzaldehyde 0.6726 0.9938 1.4649 1.6665 0.0053
4^-HYDROXYFLAVONE 0.1783 0.1643 2.5127 2.2199 0.1416
4-Hydroxylidocaine 0.6496 1.7578 0.8734 1.2954 0.0029
4-Hydroxyprolylmethionine 0.6889 1.5065 1.0956 1.2707 0.0019
4-Hydroxyprolylproline 1.3048 0.6474 1.2770 1.4033 0.0238
4-Methoxybenzaldehyde 0.9189 0.6992 1.5921 1.3191 0.1553
4-Methoxychalcone 2.4396 0.5668 0.3256 0.9957 0.1745
(4R)-5-Hydroxy-L-leucine 0.2605 0.5373 2.3378 1.6005 0.0605
4-Vinylcatechol 0.6541 2.1497 0.5111 1.1596 0.0532
4-Vinylcyclohexene 0.6480 1.7869 0.6100 0.5739 1.3139
4-[(Z)-2-Aminovinyl]phenol 0.7301 1.9023 0.5704 1.4628 0.0302
5-(3,4-Dihydroxyphenyl)pentanoic acid 0.4211 0.4643 2.1959 1.0051 0.7917
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione 1.2029 0.5124 1.4906 1.4796 0.0056
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol 0.8029 0.8550 0.9024 3.0983 0.0009
5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone 1.0053 0.7432 1.5574 1.1421 0.0932
5-[5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpentanoic acid 0.5966 2.3970 0.2776 1.2621 0.0598
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one 1.0614 1.2285 1.1258 0.9170 0.0438
5,8a-Dimethyl-3-methylene-3,3a,5,6,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2,7-dione 0.2198 0.1562 2.9317 1.1496 0.0812
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid 0.9353 1.2763 1.1262 1.1513 0.0041
5-Butyloxazole 0.6402 0.9477 1.6790 1.3075 0.0254
5^-dehydroadenosine 0.9103 1.0987 1.2884 1.2512 0.0051
5-Hydroxy-DL-tryptophan 1.1286 1.0919 1.0801 1.2463 0.0021
5-Hydroxyindole-3-acetic acid 0.6969 1.0728 1.5507 1.1888 0.0102
5-Methylcytidine 0.8891 1.1594 1.1496 1.5044 0.0003
5-Methylcytosine 0.9474 1.2442 1.0581 1.3682 0.0078
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid 1.1327 0.9342 1.1451 1.4296 0.0406
5-Oxonorleucine 1.0868 0.7687 1.2969 1.2824 0.3364
5-Pentylresorcinol 0.8547 1.3134 1.0683 1.2839 0.1251
(5S)-5-(D-Galactopyranosyloxy)-L-lysine 0.8900 0.9646 1.4750 1.1733 0.0027
5-ureidoimidazole-4-carboxylic acid 1.2668 1.0853 0.9434 1.2611 0.0001
6-(1H-Pyrrol-1-yl)norleucine 0.8409 1.5756 0.9599 1.0527 0.0065
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine 1.2207 1.2707 1.0194 0.7095 0.0135
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norleucine 1.1431 0.7625 1.3753 1.2958 0.0020
6-[(6-Aminohexanoyl)amino]hexanoic acid 0.7213 1.7126 0.9387 1.0679 0.0005
[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl](5-methyl-3-phenyl-4-isoxazolyl)methanone 0.7480 0.8824 1.7101 1.1199 0.0288
6-Amino-2-methyl-2-heptanyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate 0.0465 0.0891 3.1248 1.3447 0.0042
6-(Methoxymethyl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-ol 1.4646 1.8520 0.1529 0.8052 0.0209
6-Methylnicotinamide 1.0276 0.3238 1.9637 1.2100 0.0023
6-Methylquinoline 1.1593 1.0239 1.0817 1.3371 0.0007
6-Oxo-pipecolinic acid 0.7641 0.7288 1.6933 1.3649 0.1698
(6R)-9-(beta-D-Ribofuranosyl)-6,9-dihydro-1H-purin-6-ol 1.1396 0.9695 1.1153 1.4324 0.0064
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.2867 0.5681 2.4482 1.2378 0.0046
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one 0.9005 0.8780 1.4330 1.0434 0.4278
7α-Hydroxy-3-oxo-4-cholen-24-oic acid 0.2338 0.4062 2.7021 1.1187 0.0261
7-Mercaptoheptanoylthreonine 0.4504 0.3076 2.5248 1.2657 0.0273
7-Methyl-2-benzofurancarboxaldehyde 1.2642 0.5816 1.3087 1.0134 0.6001
7-Methylguanine 1.0253 0.8455 1.3979 1.3255 0.0028
7-Octene-3,5-diyn-1-ol 0.6016 0.9325 1.7107 1.3188 0.0693
8-Amino-7-oxononanoic acid 0.6109 0.8191 1.8950 1.1553 0.0322
(+/-)8-HEPE 1.1900 0.8215 1.0623 1.7738 0.0415
8-Hydroxy-4-methoxy-7-methyl-7,8-dihydro-5H-furo[2,3-g]isochromen-5-one 1.5589 1.6520 0.1718 1.0030 0.0402
8-Hydroxy-5,6-octadienoic acid 1.0674 0.8057 1.4315 1.1778 0.0608
8-Iso-15-keto-prostaglandin-F2ß 1.5049 0.8843 0.6265 1.8955 0.0654
9-Anthroic acid 1.1312 1.1817 0.9461 1.3522 0.0003
9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0Âa,⁵]undec-6-ene-6-carboxylic acid 1.0231 1.6464 0.5395 1.1949 0.2827
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.1590 0.4547 2.7158 1.1451 0.0312
9-Oxononanoic acid 0.9605 0.3215 1.9831 1.1893 0.1477
a-Aspartylphenylalanine 0.8872 1.3733 1.0067 1.3285 0.0037
Acetanilide 0.9267 0.8671 1.5489 1.1318 0.0112
Acetyl adenylate 1.1660 1.0605 1.0412 1.3242 0.0068
Acetylarginine 0.7253 1.1499 1.4324 1.2302 0.0006
Acetyl-L-methionine 1.5529 0.6983 1.0573 1.2185 0.0101
Acotiamide 1.0045 1.3583 1.0265 1.0200 0.0065
Adenine 0.8565 1.4074 0.9761 1.3970 0.0030
Adenosine 0.9825 1.1568 1.1650 1.2393 0.0000
Adenosine 3^5^-cyclic monophosphate 0.8547 1.5628 0.9178 1.1611 0.0009
Adenosine 5^-monophosphate 1.0522 1.0998 1.1690 1.1973 0.0001
Adenosine diphosphate (ADP) 1.4606 0.9015 1.0710 0.9045 0.0129
Adenylsuccinic acid 1.3334 0.4288 1.6215 1.0355 0.0053
Adipoin 0.9126 0.9867 1.2505 1.4378 0.1875
ALA-GLU 0.7531 1.3048 1.4636 0.6873 0.0089
ala-met 0.9125 1.3892 0.8127 1.7119 0.0023
Alanylclavam 0.7888 1.0595 1.5278 1.0355 0.0243
Alanyltyrosine 0.7151 1.6661 0.2298 2.9594 0.0129
Ala-Tyr 0.8213 0.5498 1.7473 1.7002 0.0038
Alizapride 1.2610 1.2651 0.7136 1.3984 0.0023
Allyl cyclohexanebutyrate 1.3301 0.6899 1.3565 0.9428 0.1158
.alpha.-Aminoadipic acid 1.1628 1.1252 1.0137 1.2431 0.0025
.alpha.-Apocholic acid 0.7323 1.2240 1.3788 1.1586 0.0038
Amfepramone 1.5393 0.7843 1.2821 0.4626 0.0233
Anisomycin 1.7362 1.3815 0.2112 1.1721 0.0057
Anthranilic acid 1.2824 0.7956 1.2144 1.2589 0.0100
APK 0.9370 1.2458 1.0590 1.3855 0.0101
arg-ile 0.6704 1.8338 0.9589 0.8381 0.0045
ascopyrone M 1.1058 0.9440 1.2057 1.0263 0.3350
asn-leu 0.9237 1.5534 0.9406 0.9521 0.0038
asn-phe 0.8783 1.3232 1.1489 1.1215 0.0026
asn-val 0.6696 1.3278 1.0489 1.8802 0.0039
asp-leu 0.8384 1.1192 1.2964 1.3634 0.0014
Asp-Trp 0.3325 2.1591 1.1410 0.4161 0.0026
Azelaic acid 1.2741 0.7424 1.2658 1.2432 0.0511
Bamethan 1.4741 0.8060 1.3922 0.3078 0.0114
b-Angelica lactone 1.0753 0.6445 1.5126 1.1679 0.2513
Benzaldehyde 1.1318 1.0247 1.1063 1.3323 0.0110
Benzil 1.0943 1.2694 0.8414 1.4775 0.0098
Benzoxazolone 0.3797 1.9946 0.9505 1.1867 0.0014
Benzyl butyl phthalate 0.1172 0.0808 2.6072 2.4838 0.0033
.beta.-Alanine 1.0885 0.9002 1.2689 1.2347 0.1214
(betaS)-beta-Hydroxy-L-tryptophan 0.8970 1.6137 0.7261 1.4039 0.0040
Bethanidine 0.5436 0.3926 2.3657 1.2193 0.0261
Biacetyl 0.9037 0.8391 1.4410 1.5132 0.0273
Bis(4-ethylbenzylidene)sorbitol 1.0249 0.8545 1.3934 1.0024 0.3156
Bis(methylbenzylidene)sorbitol 0.9972 1.3309 0.8310 1.3415 0.2608
Brassylic acid 1.3644 0.3026 1.7765 0.8515 0.0397
Butobarbital 0.6359 1.4799 1.2107 1.1813 0.0023
butoctamide 1.0279 0.7647 1.4897 1.2753 0.0190
C8-HSL 0.3597 0.8281 2.0570 1.2543 0.1335
Caffeine 0.6919 0.8929 1.6232 1.4793 0.0008
Caprolactam 1.0911 1.3076 0.4974 2.1909 0.0687
Capryloylglycine 0.8699 2.0998 0.4668 0.8843 0.0244
capuride 1.4948 0.3065 1.7927 0.5044 0.0106
Carbenoxolone 1.5217 0.8467 0.4658 2.3473 0.0672
Carboprost Methyl 2.3012 0.3947 0.8822 0.4504 0.1044
carisoprodol 1.9026 0.0887 1.3214 1.1518 0.0664
Carnosol 0.4107 0.5121 2.3453 1.2483 0.0813
Carteolol 0.5183 2.3983 0.2458 1.5637 0.0304
Carvacrol ethyl ether 1.2090 0.9405 1.0826 1.2784 0.1415
(+)-castanospermine 1.4716 0.8616 0.8998 1.3880 0.0293
Cefuroxime pivoxetil 1.3289 1.1671 0.7656 1.3450 0.0007
Cervonoyl ethanolamide 0.3102 0.4785 2.4706 1.3361 0.0157
Cinnamaldehyde 0.6609 1.7763 0.9043 1.1445 0.0018
Cinnamic acid 1.1726 1.0004 1.1102 1.2905 0.0015
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid 0.8276 0.7646 1.6915 1.2044 0.0864
cis-acetylacrylic acid 1.0130 0.7937 1.5870 0.8822 0.1336
Clavamycin E 1.1885 1.1338 1.0604 1.0417 0.0016
clomazone 3.2012 0.4860 0.0164 0.2362 0.0049
Cordycepin 0.8590 1.2281 1.2241 1.2055 0.0164
Cortisone 1.5725 1.3720 0.3278 1.3161 0.0031
Creatine 0.8015 1.6364 0.9198 1.1053 0.0008
Creatinine 1.1760 1.1355 0.8980 1.4734 0.0029
Cromakalim 1.1127 1.1035 1.0088 1.0336 0.4037
Crotamiton 1.2213 0.9849 1.5415 0.0971 0.0336
Crotanecine 1.0095 0.7347 1.5266 1.2888 0.0343
Crotetamide 0.6255 1.8097 0.7715 1.4495 0.0338
cuscohygrine 1.2482 0.6524 1.4608 1.0883 0.0081
CY9070000 0.1460 0.1454 2.9946 1.1048 0.1803
Cyclic ADP-ribose 1.9407 0.9595 0.7089 0.4671 0.0102
Cyclohexanecarboxylic acid 0.6703 0.7234 1.8759 1.2579 0.0681
Cyclohexylamine 0.4355 0.6317 1.6238 2.7713 0.0012
Cyclo(leucylleucine) 1.1855 0.4778 1.7730 0.4274 0.4819
cyclo(L-Phe-L-Pro) 0.7097 0.9740 1.5644 1.3669 0.0129
Cyclopamine 1.9026 1.5417 0.1572 0.4858 0.0104
CYCLO(-SER-TYR) 0.5332 0.4870 2.2814 1.2397 0.0062
Cyprodenate 1.3323 0.6781 1.3583 0.9458 0.1325
Cys-pro 0.6019 2.1262 0.5578 1.2847 0.0007
Cysteine-glutathione disulfide 1.2398 1.0088 1.2933 0.6442 0.0007
cystine 1.0701 1.3056 1.0950 0.8182 0.0049
Cytidine 0.9928 0.8993 1.3705 1.3432 0.0003
Cytidine 5^-monophosphate (hydrate) 1.2884 0.9721 1.2249 0.7773 0.0093
Cytosine 1.0628 1.2311 0.9918 1.2854 0.0006
dacisteine 0.8343 0.7569 1.6199 1.4654 0.0068
Decanamide 1.1606 1.0753 1.1156 0.9074 0.2140
D-Erythro-sphingosine 1-phosphate 1.8923 0.5235 1.1667 0.5339 0.0098
DESMETHYLSELEGILINE 0.8373 0.6511 0.9605 3.3313 0.0465
Desoxycortone 0.7622 0.7116 1.7498 1.4280 0.0132
Desthiobiotin 0.7162 1.1022 1.4568 1.3014 0.0105
Dibutyl phthalate 0.3743 0.4317 2.2905 1.5434 0.2154
dictyoquinazol B 0.7841 0.6338 1.8028 1.4397 0.0086
Dicyclohexylamine 1.5715 1.0447 0.2434 2.3266 0.0244
Diethanolamine 1.1803 0.9976 1.1101 1.2741 0.0058
Diethyleneglycol dibenzoate 0.5977 0.5163 1.8663 1.6540 0.3951
dihydropinosylvin 0.1320 0.1091 3.1179 1.0288 0.0737
Dihydrothymine 0.9072 1.3118 1.1140 1.1551 0.0125
Diphenylamine 1.1799 1.0296 1.2465 0.8595 0.0006
DL-2-(acetylamino)-3-phenylpropanoic acid 1.2318 0.8141 1.3463 1.0117 0.0078
DL-a-Aminocaprylic acid 3.0821 0.1289 0.2214 0.9095 0.0094
DL-Ala-DL-Phe 0.9095 1.5607 0.7802 1.3707 0.0033
DL-Alanine 1.2286 0.8228 1.2956 1.0708 0.0617
DL-Carbidopa 1.2290 1.4522 0.7754 0.8316 0.0270
DL-gamma-carboxyglutamic acid 1.0293 0.7397 1.6184 0.9784 0.0533
DL-Glutamine 0.9318 0.5770 1.4705 1.9925 0.0592
DL-Histidine 0.5745 0.8326 1.8639 1.3206 0.0021
DL-Homoserine 1.1789 1.0838 1.1391 0.9826 0.0129
DL-Lysine 1.1998 1.1382 0.9843 1.1896 0.0045
DL-Nordihydroguaiaretic acid 0.3699 0.3715 2.4341 1.4576 0.1036
DL-Serine 1.2049 1.1687 1.0995 0.7750 0.0420
DL-Tryptophan 1.1739 1.0290 1.0643 1.3319 0.0002
D-lysopine 0.6838 1.0351 1.5936 1.2154 0.0034
Docosahexaenoic acid ethyl ester 0.6295 0.9253 1.7791 1.1367 0.0287
D-PANTOTHENIC ACID 1.1250 0.9613 1.1967 1.2919 0.0004
D-(+)-Pipecolinic acid 1.1999 1.1381 0.9847 1.1902 0.0031
D-(+)-Proline 1.2592 0.8902 1.1717 1.1951 0.0022
D-(+)-Pyroglutamic Acid 0.9914 1.1739 1.1112 1.2992 0.0094
(E)-2-Butenyl-4-methyl-threonine 1.2313 1.2006 0.9430 1.0359 0.0267
Ecgonine methyl ester 0.1699 0.1242 3.0301 1.1850 0.0047
Ectoine 0.7713 1.4073 1.1414 1.0681 0.1318
Edoxudine 1.2146 0.8721 1.0897 1.5533 0.0056
(E,E)-2,4-Dodecadienal 1.2782 0.6135 1.4572 1.0908 0.0370
Elaeokanine C 1.4390 1.0405 1.1549 0.3872 0.0267
epsilon-Caprolactone 0.7352 0.9920 1.6754 0.8765 0.1170
EPTC 1.2785 0.8267 0.9936 1.7525 0.0007
(E)-Stilbestrol 0.1748 0.1473 3.1284 0.8651 0.0090
Ethinylestradiol 0.1479 0.5686 2.6052 1.1643 0.0316
Ethyl 3-(Methylthio)propionate 0.4757 0.3878 2.4148 1.2918 0.0126
Ethyl docosahexaenoate 0.8045 0.6892 1.7106 1.4879 0.0014
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate 0.3958 0.6377 2.2706 1.2193 0.0207
Ethyl N-ethylanthranilate 1.2173 1.0811 1.2056 0.7131 0.0268
FAD 0.8470 0.4417 1.9980 1.2799 0.0033
Falecalcitriol 0.9913 1.5956 0.6681 1.3540 0.0085
Farnesylcysteine 1.7157 0.5519 0.1370 3.3971 0.0913
Fasoracetam 0.6522 1.0790 1.5397 1.3143 0.0084
Fasudil 0.8814 0.8820 1.6197 1.0359 0.0067
fepradinol 1.3992 0.8107 1.3228 0.6522 0.0162
Flavin mononucleotide (FMN) 0.6983 0.3000 2.2026 1.4915 0.0059
Formylkynurenine 0.7993 0.9501 1.4144 1.5455 0.0449
fosfocreatinine 1.2215 1.0383 1.1140 1.0469 0.0186
Gabapentin 1.3144 1.1416 1.0841 0.6327 0.0171
gamma-glutamyltyramine 0.8242 0.6985 1.7668 1.2582 0.0180
GELSEMICINE 0.9644 0.7559 1.5484 1.3227 0.0054
g-Guanidinobutyrate 0.4643 0.8090 1.9159 1.5231 0.0039
Gingerdione 0.4444 0.3485 2.3115 1.5689 0.1702
Ginkgotoxin 0.9814 1.3454 1.0177 1.1251 0.0137
glu-leu 0.9182 1.0301 1.3347 1.2923 0.0002
Glutaric acid 0.9992 1.0009 1.2614 1.2874 0.0588
glu-tyr 0.1082 1.2383 0.1294 5.8041 0.0061
Glycocyamine 0.9972 1.0192 1.3799 1.0079 0.0013
glycyclamide 0.8911 2.0386 0.4002 1.1709 0.0044
Glycyl-4-hydroxyproline 1.1336 0.8325 1.4679 0.9007 0.0143
Glycylglutamic acid 0.9777 0.9546 1.5007 0.8992 0.0181
Glycyl-L-asparaginyl-D-leucine 0.7064 0.8831 1.4840 1.8062 0.0101
Glycyl-L-leucine 1.2777 1.0339 1.0610 1.0653 0.0030
Gly-l-pro 1.1381 1.2901 0.9178 1.1140 0.0212
Gly-Phe 0.9825 1.1339 1.1687 1.2802 0.0070
Gly-Trp 1.2689 1.9138 0.0532 1.3970 0.0133
Gly-Tyr 0.7839 1.5586 0.6794 1.9343 0.0109
goralatide 0.3764 0.6519 0.3249 6.0643 0.0526
Guanine 1.0593 1.0258 1.2402 1.1854 0.0013
Guanosine 1.0369 1.0314 1.2408 1.2270 0.0001
Guanosine monophosphate 1.2276 1.2082 1.0443 0.7992 0.0005
Harmalane 0.9452 0.8943 0.9095 2.6207 0.0065
HC blue 2 0.4353 0.3320 2.4248 1.3944 0.1253
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid 0.6942 0.5940 1.9378 1.3982 0.0367
Hexanal 1.2976 1.0401 1.1833 0.3372 0.3602
Hexylbenzene 1.3609 0.5181 1.4997 1.0302 0.0230
Hippuric acid 0.9350 0.8114 1.0831 2.4249 0.0013
his-met 0.7650 0.9644 1.5683 1.2446 0.0109
His-pro 0.5300 0.4186 2.2933 1.3720 0.0233
Histamine 0.9088 0.7136 1.7362 1.0644 0.0392
Homocarnosine 1.2863 0.6861 1.3499 1.1841 0.0101
Homocitrulline 1.1838 1.0821 1.0833 1.1192 0.0076
Homo-L-arginine 1.4355 1.0398 0.8436 1.1997 0.0030
Hypoxanthine 1.0872 0.9775 1.1709 1.4110 0.0001
ile-met 1.0150 2.1326 0.2687 0.9484 0.0109
ile-tyr 0.8460 0.4107 1.9113 1.5754 0.0044
Imazapyr 1.0910 1.7782 0.3283 1.4921 0.0142
IN00260 0.1345 0.1122 3.1984 0.8786 0.0088
Indirubin 0.9209 1.9097 0.5392 1.0539 0.0215
Indole-3-acetaldehyde 1.1611 1.0913 1.0476 1.2490 0.0012
Indole-3-acetic acid 1.8517 1.2488 0.2419 1.1357 0.0083
Indole-5,6-quinone 1.0076 0.7764 1.5422 1.1569 0.0277
Indoleacetylaspartate 0.1634 0.1774 2.8011 1.5867 0.0586
indoline-2-carboxylic acid 1.0636 0.9939 1.1934 1.3541 0.0187
Inosine 1.1220 0.9878 1.1201 1.4253 0.0001
Inosine-5^-monophosphate (IMP) 1.8293 1.3645 0.3478 0.6449 0.0013
IPK 0.8142 1.8525 0.7679 0.8740 0.0396
Iprofenin 0.7208 1.6866 0.8970 1.2048 0.0341
Isobutyric acid 1.1747 1.0406 1.0308 0.6903 0.6945
Isoliquiritigenin 0.2924 0.1474 2.8135 1.2619 0.1051
Isopropyl catechol 1.2897 0.6601 1.1813 1.0598 0.6124
Isovalerylglutamic acid 0.8238 0.9578 1.3147 1.7510 0.0081
ISOXYL 0.5483 0.8092 1.9216 1.3009 0.0011
Kaur-15-ene-17,18-dioic acid 0.1253 0.2853 2.8533 1.3176 0.0225
kazinol A 1.4603 1.2581 0.5345 1.3541 0.0137
Ketamine 2.4784 0.6961 0.0036 1.5536 0.0012
Ketoprofen 2.3284 0.6789 0.4450 0.7977 0.0716
L-3-nitrotyrosine 0.6769 1.7997 0.8157 1.2533 0.0159
L-(+)-Arginine 0.8271 0.9379 1.6789 0.8753 0.0150
L-Aspartic acid 1.2472 1.0892 1.0178 1.0896 0.0248
Lauramide 1.2026 0.6329 1.2777 1.4622 0.2549
L-Cladinpyranose 1.8064 0.5788 0.8940 1.2381 0.0640
L-(+)-Cysteine 0.9963 0.8118 1.2127 1.9399 0.0080
L-Cystine 0.8629 1.3129 1.2235 0.9919 0.0096
L-decyline 1.1075 1.0987 1.1073 1.1965 0.0195
L-Dopa 1.2989 0.6813 1.3516 1.1665 0.0041
lentiginosine 0.3651 0.3870 2.5119 1.3198 0.0202
Lercanidipine 0.4569 0.6381 2.3190 0.9374 0.0274
Leucylasparagine 1.3349 1.0055 1.1297 0.8242 0.0005
Leucylmethionine 0.7530 0.7272 1.4997 2.0134 0.0369
Leucylproline 1.0329 1.2452 0.9781 1.3583 0.0011
Leucyltyrosine 0.6527 2.6604 0.0500 1.0849 0.0074
Leu-Gly-Pro 0.5936 2.0780 0.5687 1.3899 0.0095
Leu-Leu 1.0087 1.1961 1.0942 1.2496 0.0028
Leu-pro 0.9933 1.2677 1.0211 1.2935 0.0012
leu-thr 0.6152 0.7550 1.7832 1.5950 0.0215
Leu-Val 0.8463 1.9498 0.4689 1.3372 0.0004
Levetiracetam 0.4720 1.4110 1.2820 1.5613 0.0261
L-gamma-Glutamyl-L-leucine 0.6032 1.6584 0.9764 1.4030 0.0020
L-gamma-Glutamyl-L-methionine 0.7556 1.2195 1.4512 0.9320 0.0024
L-Glutamic acid 1.2244 1.2111 0.9851 0.9480 0.0005
L-Glutaminyl-L-Leucine 0.9421 1.3128 1.0885 1.1364 0.0051
L-Glutaminyl-L-tyrosine 0.4805 0.6421 0.2841 5.9072 0.0760
?-L-Glutamyl-L-glutamic acid 0.9771 0.6452 1.7072 1.1751 0.0010
L-Glutathione oxidized 1.0991 0.8564 1.3255 1.2975 0.0000
L-Histidine 1.2689 1.0437 1.0373 1.1197 0.0055
L-Isoleucine 0.9627 0.5012 0.3877 4.8706 0.0007
L-Isoleucyl-L-alanyl-D-arginine 1.1962 0.5733 1.4179 1.5231 0.0083
L-Kynurenine 0.3730 0.6546 2.4086 0.9089 0.0006
L-(-)-Methionine 1.2809 0.9083 1.1121 1.2462 0.0003
LNK 1.0601 0.9523 1.0923 1.7361 0.0023
L(+)-Ornithine 1.1675 1.0191 1.1260 1.1915 0.0270
L-Phenylalanine 1.1070 1.0382 1.1482 1.2662 0.0002
L-pyrrolysine 0.8696 1.4231 1.0653 1.1031 0.0019
LQ1825000 1.1811 0.8790 1.0066 1.2901 0.5433
L-(-)-Serine 1.0456 1.0576 1.2880 1.0126 0.0094
L-Tyrosine 0.9104 0.9853 1.3695 1.3364 0.0005
L-Tyrosine methyl ester 0.7222 1.7552 0.8282 1.2355 0.0004
LU3453000 1.2548 1.1443 0.8842 1.2813 0.0104
Luciduline 1.2487 0.6530 1.4542 1.1019 0.0081
lycopsamine 0.6159 0.2236 2.5734 0.9518 0.0160
lys-tyr 1.2194 0.8788 1.2040 1.2409 0.0034
Maleamic acid 1.2795 1.1677 1.0151 0.8423 0.0020
malonamic acid 1.0689 1.4124 1.0661 0.2576 0.3741
Marimastat 0.4793 2.4450 0.3994 1.1779 0.0125
Matairesinol 0.3143 2.7863 0.3202 0.8785 0.0695
mebutamate 0.8582 1.2948 0.4290 3.0399 0.0051
Meglutol 0.7900 0.7019 1.7609 1.2618 0.1063
mephenesin 0.8140 0.5757 1.7025 0.9973 0.7724
meprobamate 0.6499 1.4234 0.9662 1.9002 0.0011
Meptazinol 1.0572 1.2593 1.1869 0.6801 0.0613
Metalaxyl 1.6637 1.1899 0.3794 1.3849 0.0328
metharbital 0.4856 0.7240 2.0350 1.3296 0.0588
Methionylleucine 0.8838 1.9703 0.4208 1.2910 0.0217
Methionylphenylalanine 0.6940 2.5113 0.1514 1.0973 0.0108
Methotrexate 0.9870 1.1713 1.1722 1.1664 0.0072
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 0.3677 0.5093 2.3632 1.3655 0.0339
Methyl (4E)-4,7-octadienoate 0.9513 0.3129 2.0364 1.1155 0.1329
Methyl alpha-aspartylphenylalaninate 0.9107 0.8979 1.4741 1.2922 0.0010
Methyl indole-3-acetate 0.1000 0.4155 2.7229 1.3966 0.0073
Methyl N-{[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluorobenzoyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate 2.4793 0.5658 0.5014 0.6024 0.0314
methyprylon 1.1600 0.5251 1.6491 0.9998 0.1648
met-pro 0.7922 1.7861 0.7010 1.2705 0.0312
met-tyr 0.9372 1.3872 0.9477 1.3136 0.0063
MFCD00020424 0.8512 1.5723 0.8293 1.3646 0.0032
MFCD00025555 0.7870 1.6033 0.6722 1.8414 0.0023
MFCD00070502 0.9835 1.0934 1.0952 1.5210 0.0487
MFCD01111382 1.1577 0.9251 1.3128 0.9045 0.1064
MFCD01318772 0.5231 0.7614 2.0058 1.2383 0.0359
MFCD02728197 0.9088 1.3997 0.9899 1.2494 0.0045
MFCD03840564 1.1748 0.7668 1.3658 1.2313 0.0002
MFCD15144952 1.2485 0.9094 1.1084 1.2593 0.0750
ML-236C 0.2869 0.2987 2.5949 1.3865 0.1624
MO4650000 2.2918 0.1891 0.6681 1.5881 0.0392
Monobutyl phthalate 0.5442 0.3794 2.2632 1.4391 0.0938
Mosapride 0.8414 0.8452 0.7910 3.3018 0.0042
Mukaadial 0.3181 0.3144 2.5141 1.5012 0.1326
mycosporine 1.0615 1.0450 1.1172 1.4399 0.0008
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide 0.7741 2.3236 0.2401 1.1519 0.0035
N~2~-Acetyl-L-ornithine 0.8850 1.4031 1.0702 1.1025 0.0017
N-(2-Amino-3-methylbutanoyl)glutamine 1.2197 0.9128 1.1867 1.2000 0.0020
N2-Dimethylguanosine 0.9213 0.8233 1.5800 1.1783 0.0102
N-(2-Methylbutyl)-N^-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea 1.0845 0.5691 1.6013 1.3605 0.0024
N-[(2S)-2-Hydroxypropanoyl]-L-phenylalanine 1.2948 0.8452 1.1518 1.2643 0.0061
N-[(2S)-2-Hydroxypropanoyl]methionine 0.8434 1.6343 0.9328 0.9718 0.0020
N-(3,4-Dihydroxyphenyl)glutamine 1.3611 1.1301 0.8892 1.0485 0.0003
N-(3-acetamidopropyl)pyrrolidin-2-one 0.5874 0.9868 1.6264 1.4662 0.0326
N4-Acetylcytidine 1.0565 0.8717 1.3632 1.2699 0.0015
N-(4-Methoxybenzyl)glutamine 1.0071 1.1525 1.1511 1.2179 0.0055
N~6~-[(2R)-3,4-Dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine 0.4547 1.3060 1.4098 1.5395 0.0342
N~6~-(5-Oxo-D-isoleucyl)-L-lysine 0.8301 1.6854 0.8242 1.1480 0.0027
N6-Me-Adenosine 1.0527 0.8714 1.3725 1.2541 0.0045
N(6)-OH-Me-Adenosine 0.3039 0.3148 2.6250 1.3362 0.0545
N8-Acetylspermidine 0.9262 0.9541 1.4342 1.2107 0.0032
N-acetyl-beta-D-glucosaminylamine 0.7504 1.1923 1.4402 1.0107 0.0320
N-Acetylhistamine 1.1247 0.6393 1.5099 1.2613 0.0540
N-acetyl-L-2-aminoadipic acid 0.8718 1.1289 1.3307 1.1202 0.0515
N-Acetyl-L-carnosine 0.7212 0.6601 1.9196 1.2446 0.0032
N-acetyl-LL-2,6-diaminopimelic acid 1.2759 0.9348 1.2010 0.9675 0.0033
N-Acetyl-L-leucine 1.5770 0.9001 0.8237 1.0386 0.2095
N-acetyl-N-hydroxy-L-ornithine 1.0550 1.4088 0.8083 1.3160 0.0038
N-Acetylnorvaline 1.1146 1.0217 1.1421 1.2841 0.0197
N-Acetylserotonin 0.6679 1.8853 0.7281 1.2935 0.0033
N-Acetylvaline 0.8327 0.7047 1.7320 1.2589 0.0676
N-Aceyl-L-tyrosine 1.1710 1.0072 1.1026 1.2945 0.0034
Nadolol 0.5739 1.1384 1.5591 1.3184 0.0030
N-(Carboxyacetyl)phenylalanine 1.8292 0.8364 0.6336 1.2453 0.0066
N-(Carboxymethyl)norleucine 0.7170 0.7783 1.7362 1.4062 0.0148
N-Desmethyltramadol 1.1193 0.6847 1.4695 1.0539 0.2625
Ne-Acetyllysine 0.7856 1.2439 1.1767 1.4795 0.0050
N-Ethylsuccinimide 0.8151 1.0496 1.5415 0.9418 0.0427
n-Hexanamide 0.4374 1.7402 0.4804 2.6992 0.1559
Nicotinamide 1.1565 1.1211 0.9735 1.3692 0.0030
Nicotinuric acid 1.0261 0.8609 1.4175 1.2353 0.0034
Nitrosoguvacoline 0.6914 1.8227 0.7299 1.3740 0.0160
N-lauroylglycine 1.4145 0.4524 1.3773 1.3814 0.0081
N-Methyl-2-pyrrolidone 1.2045 1.4656 0.6600 0.5284 0.6464
N-Methylhexanamide 0.1796 2.6260 0.2173 1.8301 0.1125
N,N-Bis(2-hydroxyethyl)dodecanamide 1.1859 1.1802 0.7799 1.3969 0.2380
N,N^-Diethylthiourea 1.2973 1.0902 1.3336 0.1859 0.0113
N,N-Diisopropylethylamine (DIPEA) 0.9093 0.9903 0.8446 2.5880 0.0517
N,N-dimethylarginine 1.0834 1.0772 1.1057 1.3322 0.0019
N-Nonanoylglycine 1.2304 0.4287 1.6161 1.2200 0.0920
Norketamine 2.4173 0.4350 0.7345 0.5251 0.0079
NP-001346 1.0974 1.6222 0.8226 0.6442 0.0003
NP-005146 0.2850 0.3851 2.6273 1.2312 0.0253
NP-009314 0.4094 0.3157 2.5159 1.1941 0.2036
NP-011220 0.6040 0.6467 2.0443 1.2456 0.0167
NP-011548 1.4454 0.9769 0.7391 1.4974 0.0989
NP-012616 1.2498 1.1325 1.1056 0.5320 0.2484
NP-013176 3.2605 0.1346 0.0678 0.8368 0.0060
NP-016455 0.2984 0.4378 2.7014 0.7813 0.1245
NP-018661 1.2819 0.7539 1.2405 1.1125 0.1968
NP-018716 1.3439 0.6636 1.2890 1.2193 0.0392
NP-020014 1.9158 0.7677 0.5481 1.4094 0.0114
NP-020078 1.6715 0.9286 0.5927 1.4750 0.0428
NP-020439 1.5301 0.5747 1.3266 0.8987 0.0229
N-Phenyl-beta-D-glucopyranosylamine 0.6996 0.3118 2.2253 1.3920 0.0162
N-Propanoylimidazole 1.1992 1.1551 0.8805 1.3765 0.0366
N-Succinyl-L-diaminopimelic acid 0.1335 1.4142 2.1292 0.3044 0.0033
N(tau)-Methyl-L-histidine 1.0965 1.0386 1.2057 1.1299 0.0179
N-(tert-Butoxycarbonyl)-L-leucine 1.3696 1.3734 0.6424 1.0364 0.0001
N-Tridecanoylglycine 1.5733 0.2251 1.5399 1.1441 0.0100
N-Undecanoylglycine 1.4670 0.3302 1.5603 1.0895 0.0168
N-valeryl-Glycine 1.1626 1.1716 0.9514 1.2306 0.0556
O-(3-Carboxypropanoyl)homoserine 1.0653 0.8403 1.3479 1.3413 0.0249
ophthalmic acid 1.2177 1.1559 0.8800 1.3654 0.0006
Osthol 1.1519 1.2925 0.8107 1.3551 0.0071
Oxirane, 2-(6-heptenyl)-3-(2,4-pentadiynyl)- 0.1444 0.1688 0.2623 7.9850 0.0762
Palmitic Acid 1.6186 1.1184 0.3995 1.0784 0.5805
Panthenyl ethyl ether 1.4643 1.2441 1.0842 0.0150 0.0037
PEG-4 2.6940 0.1699 0.6399 0.6409 0.0995
PEG n5 3.3468 0.0740 0.0569 0.7874 0.0183
PEG n6 0.8129 0.6081 1.8067 1.4117 0.0191
PEG n7 3.3121 0.1476 0.0522 0.7158 0.0043
PEG n8 3.4345 0.0711 0.0103 0.7069 0.0035
pentabamate 1.1673 0.9461 1.2418 1.1058 0.0063
pentahomomethionine 0.8802 1.1762 1.2353 1.2689 0.0018
Pentahomoserine 0.7732 1.6692 0.7274 1.5632 0.0120
pentobarbital 0.6862 1.8291 0.7365 1.3606 0.0099
PENTOTHAL 0.9373 1.1489 1.1660 1.3682 0.0016
Pentyl isothiocyanate 0.4359 2.3001 0.4926 1.2103 0.2185
Perazine 0.5876 0.2547 2.5883 0.8989 0.0248
Perzinfotel 1.1114 0.4722 1.7218 1.2261 0.0105
phe-gln 0.8705 1.4662 0.9450 1.2892 0.0065
Phenethylamine 1.2511 0.8954 0.9295 1.8047 0.0051
Phenylacetylglycine 1.1792 0.7505 1.3760 1.2352 0.0007
Phenylisocyanate 1.2858 0.7923 1.2120 1.2700 0.0048
phosphoethanolamine 0.9549 1.0467 1.2937 1.0494 0.2125
Phthalic acid 0.8660 2.4132 0.1248 0.9443 0.0458
p-Hydroxybenzalacetone 0.4950 0.5114 2.3872 0.8973 0.1185
Pipecolic acid 1.1569 1.2911 0.8859 1.1648 0.0005
Pirimicarb 0.6903 1.7598 0.9919 0.8893 0.0056
Pivagabine 1.1591 1.0611 1.0436 1.3147 0.0259
(+)-podocarpic acid 1.4263 0.9675 0.9922 0.9765 0.0587
Polygonolide 0.5312 2.0487 0.6377 1.0962 0.3597
PPH 0.8797 1.1809 1.2243 1.2682 0.0195
Pramiracetam 1.5132 0.4074 1.3969 1.1893 0.0168
Pro-Hyp 1.1971 0.8582 1.2696 1.1844 0.0032
Prolinamide 1.1790 0.9970 1.1135 1.2710 0.0053
Proline 1.3226 1.1354 1.3229 0.0072 0.0404
Prolylleucine 0.9184 0.7581 1.5339 1.4731 0.0009
pro-phe 0.9865 1.1323 1.1325 1.3596 0.0120
Pro-Pro 0.9535 0.8111 1.4304 1.4954 0.0172
pro-thr 0.3250 0.4963 2.4200 1.3844 0.0122
pro-trp 1.1067 1.7000 0.5146 1.1859 0.0108
Pro-tyr 1.0662 0.9094 1.2889 1.3321 0.0065
Pseudopelletierine 1.5076 1.0335 0.9380 0.7917 0.0107
Purinol 1.6568 1.0341 0.8524 0.6393 0.0026
Pyridoxal 1.3347 1.2053 0.7851 1.1374 0.0495
Pyridoxal 5^-phosphate 1.1549 0.5934 1.4200 1.5765 0.0026
Pyridoxamine 0.9699 0.8864 1.4911 1.0985 0.0330
Pyrone 1.1836 1.0285 1.1820 1.0112 0.0036
QV1MVO1R 1.3090 0.7447 1.3288 1.0411 0.0025
(R)-3-Hydroxy myristic acid 1.2360 0.9312 1.1761 1.0378 0.1039
(+)-Retronecine 1.2917 0.1839 1.8456 1.0844 0.1128
riboflavin cyclic 4^,5^-phosphate 0.8656 0.6622 1.9231 0.8710 0.0017
Rimantadine 1.2895 0.6423 1.4226 1.1090 0.0051
(R)-Salsolinol 0.6244 1.7119 0.4046 2.6471 0.0006
S-(1H-Indol-3-ylmethyl)-L-cysteine 1.2358 0.6126 1.4485 1.2528 0.0050
S-3-oxodecanoyl cysteamine 0.8418 1.1513 1.2335 1.4219 0.0114
S-Adenosylhomocysteine 1.2299 1.0870 1.0090 1.1850 0.0004
S-Allyl-L-cysteine 0.5586 2.0891 0.6705 1.2035 0.0010
Sarpogrelate 0.9542 1.2535 0.9652 1.3089 0.2587
S-Benzyl-D-cysteine 1.8772 1.1262 0.3318 1.0909 0.0710
Sebacic acid 1.0552 0.7707 1.4646 1.2055 0.0685
senkyunolide B 0.0660 0.0776 2.6547 2.4259 0.0783
Ser-met 0.8325 1.4947 0.7427 1.8017 0.0235
ser-trp 0.6856 1.6706 0.9086 1.3323 0.0057
Seryltyrosine 0.9109 1.3148 0.9966 1.4411 0.0032
Shogaol 0.5386 0.4310 2.1805 1.6024 0.0224
shrimp shell 1.3725 1.0614 1.0334 0.8014 0.0301
Sodium [dodecanoyl(methyl)amino]acetate 0.5094 0.8069 1.2978 2.8826 0.0823
spermidine 0.6473 1.1632 1.5969 0.9789 0.0027
Styrene 1.0021 1.3402 0.8364 1.3079 0.2453
Suberic acid 0.7450 0.6635 1.8617 1.2633 0.0612
Succinic acid 0.9706 1.0701 1.2110 1.3601 0.0105
Succinic anhydride 1.1771 1.0261 1.0939 1.2243 0.0330
Succinylacetone 1.7709 1.1646 0.4900 0.7881 0.1481
Succinyladenosine 1.0682 0.9914 1.1948 1.3634 0.0005
Sulcatol 2.8642 0.2283 0.1886 1.1524 0.1449
Sulforaphane 0.8012 0.8154 0.8991 3.1820 0.0288
Taurine 1.1949 1.1248 1.1516 0.8153 0.0065
Taurochenodeoxycholic acid 2.1108 0.5180 0.9147 0.6263 0.0148
Taurocholic acid 1.1779 1.5779 0.4278 1.5170 0.0240
Tenuazonic acid 1.1494 1.2244 0.9359 1.2041 0.0216
terizidone 1.2225 1.0138 1.0849 1.1871 0.0099
testolic acid 0.1021 0.0994 2.8955 1.7003 0.0573
Testosterone 0.9348 0.6001 1.6527 1.5004 0.0308
Tetradecanedioic acid 1.0807 1.0690 1.0262 1.4569 0.1034
Tetrahydro-5-oxo-2-furanacetic acid 1.2250 1.0996 0.9958 1.1967 0.0024
Tetramethylurea 1.6132 0.6082 1.4785 0.1794 0.0708
Thiorphan 2.0315 1.3227 0.0107 1.0865 0.0014
Threonylleucine 0.6957 1.1289 1.4170 1.3938 0.0023
thr-trp 0.8354 0.8297 1.6151 1.2755 0.0242
thr-tyr 1.0739 0.9475 1.3690 1.0220 0.0020
THTA 0.6496 1.6892 0.3934 2.6620 0.0075
Thymidine 1.0958 1.0806 1.1170 1.2607 0.0059
Thymine 1.3958 1.1939 0.6642 1.3314 0.0340
Timonacic 1.2695 0.5189 1.4458 1.3003 0.1141
TKK 1.1756 1.1311 1.1568 0.4287 0.4126
tricholomic acid 0.0553 2.2495 0.3364 2.8950 0.0020
Triethylene glycol monobutyl ether 1.3780 1.2052 1.1928 0.0409 0.0194
trihomomethionine 0.7329 0.8929 1.5005 1.6324 0.0517
Trimethylenetetraurea 1.2272 0.9206 1.1046 1.3653 0.0037
Triphenyl phosphate 1.5181 0.5513 1.2115 1.0012 0.2966
Tris(2-butoxyethyl) phosphate 0.0456 0.0272 2.6794 2.6185 0.0011
Tris(2-chloroethyl) phosphate 0.1871 0.0749 2.9117 1.5561 0.0096
Troxipide 0.8889 1.4002 1.0070 1.2586 0.0012
Trp-Phe 0.7908 2.2293 0.3027 1.1791 0.0139
Trp-Val 0.4574 2.0576 0.6484 1.5809 0.0103
Tussilagine 0.8850 2.1454 0.3002 1.1547 0.0188
Tyrosylalanine 0.7782 1.6936 0.8825 1.1086 0.0055
Tyrosyltyrosine 0.8231 1.6501 0.8094 1.2897 0.0040
tyr-thr 0.1126 0.1766 0.2169 8.2058 0.0290
UNII:N506B45LBE 0.7707 1.0549 0.9569 2.5319 0.0119
Uracil 1.4071 0.8036 1.1377 1.1264 0.0026
Ureidopropionic acid 1.1081 0.8740 1.3378 1.1007 0.0997
Uric acid 1.4796 1.1664 0.9915 0.4057 0.0006
Urocanic acid 0.6658 1.0028 1.6991 1.0529 0.0278
US4550000 1.1047 1.1541 1.0085 1.2717 0.0600
Valaciclovir 0.9353 0.9405 1.5175 1.0142 0.0025
val-asn 0.7952 1.3325 1.0173 1.6344 0.0031
Valine 1.2275 1.0171 1.0811 1.1844 0.0012
Val-Leu 0.7444 0.7914 1.7785 1.2125 0.0019
val-phe 0.7867 0.6577 1.8069 1.3574 0.0144
Valylvaline 0.6708 0.6945 1.6993 1.8348 0.0037
Vanillin 1.2302 1.2484 1.2505 0.1431 0.0339
Veliparib 1.0768 0.7424 1.6129 0.8638 0.0560
Veronal 1.1999 1.1184 0.9367 1.3193 0.0432
VLH 0.5243 2.8352 0.0373 0.9753 0.0327
VLK 0.3259 2.4540 0.3024 1.7711 0.0230
Voglibose 1.2551 0.8506 0.8770 2.0423 0.0008
Vorinostat 0.7512 0.5980 1.9310 1.2950 0.0044
Xanthine 1.2673 1.0854 0.9426 1.2616 0.0001
Zalcitabine 0.9702 1.1078 1.2531 1.1705 0.0018
zindotrine 0.9351 1.4896 0.9301 1.1089 0.0040
ZINGEROL 0.9623 0.9540 1.2471 1.3753 0.2162
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:HS14 | Source:Cortex
F2Treatment:HS21 | Source:Cortex
F3Treatment:LS | Source:Cortex
F4Treatment:n/a | Source:Cortex Pool
F5Treatment:n/a | Source:n/a
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