Data for (Study ST002758)

(Analysis AN004475)

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

MetaboliteF1F2F3F4F5F6F7F8F9F10
10-Undecenoic acid 0.7097 0.7903 0.7697 0.8133 0.6807 2.5917 0.7521 0.8308 0.9961 1.0811
1,1,6-Trimethyl-1,2-dihydronaphthalene 0.5864 0.6507 0.7037 0.7514 0.6063 2.1271 2.3041 0.6907 0.7973 0.6774
11-Aminoundecanoic acid 0.7380 0.9962 0.9372 0.9643 0.4065 0.3906 0.5315 3.7783 0.0274 1.0442
11-Nitro-1-undecene 0.7021 0.7417 1.0008 0.8810 0.6965 1.6658 1.3293 1.1973 0.8452 0.8867
11-Nor-9-carboxy-thc 0.2923 0.5076 1.9088 1.7630 0.3559 0.4214 1.7255 1.7981 0.0953 0.9392
1,2-dihydroxyheptadec-16-yn-4-yl acetate 0.7745 1.6727 0.8445 1.1536 0.8677 0.9631 1.2650 1.2158 0.0740 0.9797
1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol 0.7616 0.8411 0.8640 0.8206 0.7897 2.3211 0.8646 0.8369 1.0013 0.8742
1,3-di-o-Tolylguanidine 0.1568 7.6469 0.1630 0.1629 0.2145 0.3297 0.1727 0.1895 0.1676 0.5375
1-(3-Furyl)-1,4-pentanediol 0.7178 1.2249 0.9093 0.8471 1.0008 0.8525 0.8642 1.0173 0.7758 1.9319
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid 0.7215 1.1619 0.6967 1.4076 1.0438 1.1037 1.3800 1.1301 0.0080 1.1854
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid 0.2179 0.2513 0.2455 6.7742 0.3233 0.3513 0.5240 0.3225 0.1139 0.6235
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.1350 0.6085 0.1347 5.5578 0.2772 0.9554 0.2091 0.5600 0.0319 1.4211
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-2-pentanone 0.9111 1.6899 0.6614 0.8514 1.2798 2.0289 0.6016 0.8465 0.1995 0.7125
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone 0.7151 0.8885 1.0453 0.9038 0.9312 2.1859 0.9050 0.7304 0.7765 0.8421
1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole 0.1236 0.2446 0.3088 0.2303 0.2418 0.1965 0.1989 0.3719 0.2519 9.3525
16-Heptadecyne-1,2,4-triol 0.8545 1.3978 0.6973 0.6484 1.0800 2.1892 0.6890 0.7396 0.6074 1.0229
1,6-Hexanediol diacrylate 0.6965 0.8266 0.8327 0.8615 0.7138 2.5746 0.8154 0.8466 0.9671 0.8233
17a-Methyl-androstan-3-hydroxyimine-17ß-ol 0.7805 2.1626 2.0726 0.3727 0.5583 0.1288 0.9166 2.1941 0.0416 0.4755
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one 1.2167 1.4343 0.7861 0.7728 1.3506 1.4988 0.7910 0.7622 0.1756 1.0587
17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~5,9~]nonadeca-5(9),6,10-trien-17-ol 0.1569 0.2292 0.1467 6.3348 0.3545 0.4949 0.3747 0.3806 0.0532 1.3563
1-arachidonoyl-sn-glycero-3-phosphoethanolamine 0.7632 1.0001 1.1218 1.1205 0.9727 1.1544 1.4332 1.0178 0.0025 1.2678
(1E)-1-(4-Methoxyphenyl)-4-methyl-1,4-pentadien-3-one 0.8506 0.9836 0.8787 0.9240 0.9903 1.8645 0.8878 0.9771 0.6890 0.8653
1-Isopropenyl-3-isopropylbenzene 0.4525 0.7527 0.4328 0.5926 0.4285 0.5353 0.7058 0.7247 0.0790 6.1398
1-linoleoyl-sn-glycero-3-phosphoethanolamine 0.7624 1.1102 1.0645 1.1261 0.9769 1.3314 1.2389 1.0125 0.0020 1.2193
1-Methyl-1-benzylidene-acetone 0.8803 0.9842 0.8614 0.8919 1.0103 1.8875 0.8904 0.9297 0.6892 0.8912
1-Methylimidazoleacetic acid 0.1291 5.7772 0.3582 0.6244 0.4171 0.2773 0.6766 1.2579 0.0419 0.0606
(±)-1-Octen-3-ol 0.7599 0.9425 0.8872 0.8752 0.8433 1.7782 0.9095 0.9284 1.0082 1.0867
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 0.7201 1.7236 0.7750 1.2430 0.8193 1.2174 0.9872 1.4055 0.0215 0.8647
1-Piperideine 0.7500 1.1506 0.8100 1.1329 0.9358 1.1129 1.1266 1.2820 0.5234 1.1006
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid 0.2918 0.4306 0.3008 5.4496 0.3592 0.6565 0.3965 0.4068 0.2351 1.4002
(1S)-1,5-Anhydro-1-benzyl-D-galactitol 0.8033 1.0010 0.8186 0.8751 0.7152 2.0651 0.8603 0.9076 0.9299 1.0125
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium 0.7436 0.7625 0.4388 0.8919 0.6483 1.1834 0.5082 1.1064 0.3121 3.8341
(1S,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid 0.3851 1.4907 0.8407 1.1026 1.0491 1.5947 0.7553 1.9988 0.0789 0.3999
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âa⁰.0⁴,âa]hexadec-10-ene-5-carboxylic acid 0.1641 0.3101 0.3703 1.1941 0.6089 0.8608 2.5326 2.7450 0.0452 0.9726
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO) 0.7833 1.0843 1.0167 0.9599 0.9390 1.2721 0.9984 1.0327 0.8714 1.0206
2-(2E)-2-Octen-1-ylcyclopentanone 0.8401 0.8019 0.8333 0.7750 0.7460 2.2886 0.7302 0.8006 1.3073 0.9233
2-(2-Hydroxy-2-propanyl)-4-methoxy-7-methyl-2,3,6,7-tetrahydro-9H-furo[3,2-h]isochromen-9-one 0.4206 1.7874 0.8344 1.8871 0.7279 1.2725 0.5663 1.1820 0.0452 1.1069
2-{[(2S)-1-Methoxy-1-oxo-2-hexanyl]amino}-2-oxoethanediazonium 1.2629 1.5778 0.8262 0.7105 0.6373 0.7184 1.2017 1.4497 0.4271 1.0921
2-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-(3-methyl-2-buten-1-yl)-1,3,5-benzenetriol 2.2218 1.3897 1.0835 0.5953 0.8521 1.3065 0.6425 0.7093 0.2623 0.7369
2-(3-Phenylpropyl)tetrahydrofuran 1.3509 1.5073 0.5779 0.6056 1.2265 1.7539 0.5924 0.5939 0.4925 1.2470
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 0.5685 1.2380 0.9404 1.0076 1.1782 1.7412 0.8768 1.4008 0.2893 0.5212
2444643WXK 0.6945 0.8935 0.8895 0.8545 0.8242 1.9512 0.9573 0.8929 0.9518 1.1010
2,4,6-Octatriyn-1-ol 1.4899 1.5532 0.5385 0.5643 1.6123 1.5059 0.5149 0.4997 0.4776 1.1742
2,4,9a-Trimethoxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-ol 0.6632 1.2527 0.7885 1.4241 0.9720 1.1141 1.3793 1.1577 0.0076 1.0529
2,4-Dimethyladipic acid 0.9222 1.6233 0.7780 0.7705 0.8651 0.8635 1.1884 1.7887 0.1316 0.8688
2,5-Dimethyl-4-ethoxy-3(2H)-furanone 0.9244 1.6049 0.7532 0.8141 0.8387 0.9104 1.1755 1.7267 0.1748 0.8903
2,5-Furandicarboxylic acid 1.1069 0.8801 0.8843 0.6372 1.3778 0.9835 1.9546 1.1607 0.0073 0.7613
2-Acetyl-3,5-dimethylfuran 1.3071 1.8056 0.7937 0.6133 0.7958 0.6787 1.4522 1.2667 0.0059 1.1028
2-Amino-3-methoxybenzoic acid 0.7357 1.4521 1.1429 1.2134 1.1997 1.0233 1.2453 0.9831 0.0071 0.7486
2-Aminonicotinic acid 0.5581 1.3175 1.4814 0.5426 0.9872 0.9090 0.5223 2.5306 0.4115 0.5276
2-Butyl-6-methoxyphenol 0.7705 0.9486 1.0145 0.9261 1.3414 1.1941 1.1574 1.1326 0.5434 0.8503
2-[(Carboxymethyl)amino]-7-octenoic acid 1.7122 1.2508 1.4244 0.5505 0.3878 0.7503 0.9606 1.9588 0.0913 0.6645
2-Decylfuran 0.7930 0.9606 0.8876 0.9350 0.7761 1.6031 1.0354 1.0027 0.8579 1.1504
2^-Deoxycytidine 0.0736 0.0223 0.6423 0.1456 3.0012 0.0973 0.0439 0.0438 0.0145 6.8979
2^-Deoxycytosine 0.8381 0.9430 0.9335 2.0085 0.7769 0.9236 1.2553 0.8344 0.7739 0.5843
2-deoxyglucose 1.3229 1.4258 0.7989 0.7954 1.3702 1.3688 0.7920 0.7779 0.1560 1.0291
2-(Diethylamino)ethanol 0.4938 0.6631 1.0902 0.8268 0.7123 0.5577 0.5933 0.6905 0.0291 4.9364
(2-(Dimethoxymethyl)-1-heptenyl)benzene 0.7062 0.8888 0.6971 0.7445 0.9385 2.3582 1.0988 1.0528 0.5186 0.8753
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine 1.2309 0.8887 0.7303 1.8765 0.8010 0.9835 0.9260 0.4987 1.1773 0.9031
(2E)-2-Heptenoic acid 1.1438 1.7222 0.6441 0.8459 1.4280 1.7683 0.6342 0.7061 0.2085 0.6755
(2E)-2-Tetradecenal 0.6957 1.8746 0.7059 0.9056 1.1312 1.9669 0.6270 0.9965 0.2310 0.6398
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde 0.8506 1.1904 1.0115 1.1422 0.9777 1.1572 1.1888 1.2659 0.0003 1.0192
(2E,6E)-2,6-Octadienal 0.9868 1.6637 0.8100 0.9857 0.9360 0.9277 1.0385 1.4381 0.1152 0.9018
(2E,6Z)-Nona-2,6-dienal 0.5934 1.0996 0.8772 1.3304 0.4332 0.6915 0.6752 2.8304 0.1028 1.2335
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spiro[cyclopentane-1,2^-naphthalene]-5^-carboxylic acid 0.4024 0.5235 0.4029 5.0164 0.3963 0.6559 0.4566 0.4559 0.2070 1.4057
2-Hydroxybenzothiazole 0.9318 1.2116 1.2535 1.1060 1.1766 1.0156 1.2632 1.2036 0.3097 0.2381
2-MeO-E1 0.2705 0.4699 0.2384 4.2527 0.7546 0.8869 0.7807 0.8600 0.0584 1.2996
2-Methoxy-7,7,8b-trimethyloctahydrocyclopropa[4,5]indeno[5,6-c]furan-4a,5(4H)-diol 1.1010 1.7944 0.5633 0.6227 1.3156 2.1327 0.5275 0.6097 0.2463 0.9201
2-methyl-4-ethyl-5-propyloxazole 1.4167 1.9262 0.7167 0.5966 0.6956 0.6399 1.3970 1.3822 0.0198 1.0165
2-Methylthiazolidine 0.5585 0.9918 0.9052 1.3311 0.8158 1.4888 1.3652 1.5459 0.0031 0.7440
2-Oxobutyric acid 1.0800 0.6888 1.5839 0.9618 0.9358 0.4264 1.8903 0.9005 0.0119 1.4036
2-Pentyl-3-phenyl-2-oxiranecarboxylic acid 0.5029 0.5104 0.8132 0.9215 0.4845 3.5342 0.8050 0.8365 0.8420 0.6478
2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol 0.9320 1.4321 1.0124 0.9040 1.1034 1.3364 1.0159 1.2011 0.1275 0.7005
2-Phenylethyl D-glucopyranoside 1.2286 1.4462 0.7563 0.7489 1.3564 1.5290 0.7688 0.7571 0.1818 1.0790
2-Propionyl-1,4,5,6-tetrahydropyridine 1.2778 1.9074 0.4730 0.4786 1.0957 1.4238 0.4645 0.4737 0.4305 2.0766
2-Propylfuran 1.1553 1.6162 0.3913 0.5558 1.3461 1.5687 0.4230 0.7144 0.2172 2.0693
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-icosenoate 0.7325 1.2408 0.7359 1.0992 0.9978 1.5739 1.1484 1.1289 0.0051 1.1731
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate 0.8228 1.1527 0.8823 1.1075 0.9591 1.2679 1.3138 1.1072 0.0274 1.2060
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9Z)-9-hexadecenoate 0.7559 1.2194 0.8605 1.1812 0.9630 1.3879 1.0706 1.1975 0.0198 1.1852
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 1.6999 2.0102 0.2927 0.2915 1.7069 1.9405 0.2966 0.2944 0.2337 1.1006
(2R,5R,6R)-3-[(1E,3E)-hepta-1,3-dien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)cyclohexan-1-one 1.3461 1.6239 0.6445 0.6207 1.4323 1.6025 0.6203 0.6194 0.2648 1.0983
(2S)-2,3-Dihydroxypropyl pentadecanoate 1.1046 1.8336 0.8505 0.6160 1.0986 0.7822 1.2292 1.2845 0.0819 0.9193
(2S)-2-Amino-8-oxodecanoic acid 1.6492 1.2949 1.1672 0.4643 0.8490 0.7523 1.3463 1.3094 0.0635 0.8956
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name) 0.9254 1.1808 0.9277 1.1270 1.3032 1.6949 1.2902 1.0834 0.0151 0.0691
(2S,8R)-2-Amino-8-hydroxydecanoic acid 1.0229 1.2145 1.5850 0.8873 0.4977 0.4720 0.8987 2.2836 0.0396 0.8833
2S-Amino-tridecanoic acid 0.6089 1.3858 0.9642 1.2143 0.3995 0.7612 0.6233 2.6747 0.1087 1.1013
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid 0.5665 0.8274 0.9828 1.1472 0.6004 1.0033 1.6884 1.8786 0.0408 1.0909
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne 0.9909 1.1127 1.1304 1.1097 1.0511 1.0977 1.1862 1.0976 0.0021 1.0274
(2Z)-2-(3-Hydroxybenzylidene)heptanal 1.2999 2.4267 0.2075 0.2178 2.1258 1.6089 0.2007 0.1884 0.1854 1.4701
(2Z)-2-Benzylidene-3-hydroxyheptanoic acid 0.5999 0.9347 0.8855 0.7888 0.8322 2.2711 0.8729 0.9955 0.7829 0.9914
(2Z)-2-Benzylidenehexanal 0.7618 0.8066 0.8861 0.8605 0.7608 2.3133 0.7711 0.8621 1.1185 0.8536
(2Z)-2-Nonenoic acid 0.6263 1.1831 0.8522 1.2666 0.5174 0.7907 0.6672 2.7266 0.0783 1.1341
(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate 1.3752 1.0843 2.1031 0.5989 1.4202 0.8138 0.9012 0.4576 0.1156 0.9417
(2Z,4E)-2,4-Hexadienedial 0.9458 1.3896 1.2154 1.2591 1.0826 1.0843 1.2044 1.3115 0.0194 0.1148
(2Z)-4-Methyl-2-phenyl-2-pentenal 0.7371 0.8495 0.9188 0.8054 0.8481 2.2365 0.8177 0.8701 1.0181 0.8779
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine 1.6253 2.7160 0.1626 0.1597 1.5897 1.8909 0.2380 0.2582 0.0549 1.1446
3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-hydroxyethyl}-2,5-dihydrofuran-2-one 0.6669 1.3107 0.7898 1.4808 0.9018 1.0971 1.3526 1.1294 0.0045 1.0843
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid 1.5138 1.6113 0.4743 0.4511 1.5699 1.8834 0.4755 0.4888 0.2009 1.2141
3,4-dehydrothiomorpholine-3-carboxylic acid 0.6220 0.8371 0.5825 0.2786 4.6121 1.3786 0.5198 0.6869 0.0010 0.1020
3,4-Didehydroretinoic acid 0.2557 0.4287 0.2506 5.5577 0.3495 0.6265 0.4517 0.5760 0.2314 1.1481
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl)-2-cyclopenten-1-one 0.6727 0.4524 0.8960 0.4539 0.7660 3.1611 0.8960 0.6992 1.3673 0.6359
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid 1.0705 1.5672 0.9894 1.3353 0.8919 1.0169 0.8742 1.0296 0.1596 0.8717
3,4-Methylenesebacic acid 0.6694 1.1352 0.8998 1.0823 1.0608 1.6355 0.9093 0.9795 0.5161 1.0192
3,5-di-tert-Butyl-4-hydroxybenzaldehyde 0.8152 1.0482 1.0319 1.0170 0.8458 1.6841 0.9269 1.0532 0.6437 0.8285
3-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-phenyl-1-propanone 1.8701 1.9688 0.1421 0.1517 1.7662 2.4445 0.1280 0.1793 0.0557 1.1309
3,6,9-Trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetate 0.7260 0.7838 0.4828 3.8520 0.5942 1.0493 0.5425 0.5915 0.3178 0.9044
3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine 2.0755 1.5930 1.0852 0.3778 1.0776 1.3922 0.3858 0.6678 0.1130 1.0682
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one 1.0387 1.3581 2.3691 1.0875 1.1495 0.4650 0.5140 0.8764 0.2444 0.6827
3-Acetyl-6-hydroxy-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone 0.7276 0.8785 0.8750 0.8253 0.7912 2.3440 0.8213 0.8519 0.9602 0.8963
3-Allylcyclohexene 1.7104 2.3401 0.2484 0.3249 1.4709 1.8511 0.3175 0.3112 0.1750 1.1069
3-Amino-2-naphthoic acid 1.0869 1.5442 1.4154 1.6371 0.7000 0.8122 0.7614 0.7693 0.0286 1.0632
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol 0.7050 0.7481 1.4084 1.4754 0.6871 0.9400 1.3842 1.4536 0.0309 0.9668
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one 0.4913 0.8544 1.8773 1.7630 0.7001 0.8083 0.8945 0.9709 0.0191 1.5309
3b-Hydroxy-5-cholenoic acid 0.3241 0.6209 2.1319 1.8385 1.9482 1.1606 0.3017 0.4108 0.0117 1.0674
3-Dimethylallyl-4-hydroxymandelic acid 0.8056 0.9158 0.7960 0.7594 0.8677 2.3839 0.7677 0.7516 1.0257 0.9146
(3E)-3-propylidenephthalide 0.8489 0.9278 0.9262 0.8799 0.8825 1.7148 0.8714 0.8747 1.0780 1.0141
(3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 1.0684 1.3378 0.7333 0.7150 1.1177 1.3832 0.7582 0.7828 1.0011 1.1285
3-Hydroxyanthranilic acid 0.8791 0.8970 0.9184 0.8999 1.1517 1.2943 1.4016 1.3269 0.0087 1.0301
3-Hydroxynonanoic acid 0.5772 1.1864 0.8547 1.2627 0.4905 0.7685 0.6590 2.8789 0.0654 1.0871
3-Hydroxytetradecanedioic acid 1.5375 1.0953 1.8212 0.5868 1.3077 0.7293 1.0262 0.6318 0.0311 1.0491
3-Hydroxytridecanoic acid 1.1353 1.6094 0.5673 0.5485 1.1851 1.3324 0.5486 0.5824 0.5179 2.0959
3-Indoleacetamide 1.3104 0.9938 0.9362 1.0671 1.1766 1.2381 1.0202 1.1201 0.0130 0.9088
3-Indoleacetonitrile 1.1045 1.1148 0.9871 1.0320 1.1409 1.1354 1.0975 1.2023 0.0103 0.9715
3-Methoxycinnamic acid 0.8109 0.8478 0.8742 0.8358 0.7409 2.0736 0.8653 0.9007 1.2178 0.8458
3-Methylbutanoic acid 1.0718 1.3885 0.7116 0.6940 0.9930 1.1731 0.6976 0.7092 0.6874 2.0141
3-Oxocholic acid 0.2985 0.4442 2.6900 2.2403 1.4234 0.9347 0.3293 0.4239 0.0551 0.9646
3-oxoindane-1-carboxylic acid 0.7994 0.8964 0.9026 0.8823 0.8296 2.0593 0.8940 0.7973 0.9786 0.9452
3-oxolauric acid 0.9682 1.7999 0.6341 0.8516 1.5199 1.7759 0.5197 0.8524 0.1266 0.7213
3-Oxooctanoic acid 0.8894 1.2027 0.8825 0.8604 1.0428 1.0601 0.8598 0.8493 0.7379 1.7034
3-Tropanol 1.1779 1.7045 0.8227 0.8309 0.8664 0.7853 1.2081 1.3299 0.0326 1.0603
3-Ureidopropionic acid 0.6681 1.5404 0.8647 1.0145 1.2163 0.9109 0.9636 1.4494 0.1528 1.0623
(3Z)-Hex-3-enyl isobutyrate 0.7490 0.7891 0.9051 0.8217 0.7983 2.1602 0.9747 0.8326 1.0804 0.8812
4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydro-2-furanol 1.2822 1.7486 0.5494 0.6070 1.6480 1.6248 0.5448 0.5530 0.0795 1.2232
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid 0.1619 2.3455 0.3210 2.4647 0.1511 1.5440 0.2535 1.1074 0.0748 1.4888
4-[(2-Isopropyl-5-methylcyclohexyl)oxy]-4-oxobutanoic acid 1.3848 1.0374 2.1687 0.6028 1.4439 0.7929 0.9103 0.4430 0.0980 0.9221
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid 0.4202 0.8528 1.7005 1.5322 1.8298 0.9598 0.6379 0.7751 0.0256 1.0890
4,9-dimethyldodeca-2,4,6,8,10-pentaenedial 0.6426 0.8519 0.9848 0.6813 0.7000 2.3930 0.8770 0.8600 1.1239 0.8878
4-Deoxy-5-C-(3,5-di-sec-butyl-1-cyclopenten-1-yl)pentonic acid 0.5388 2.1057 0.5192 2.4066 0.4866 1.2403 0.4533 0.8531 0.0676 1.1780
(4E)-2-Amino-3-oxo-4-nonenoic acid 0.7376 1.2929 0.4952 0.3343 1.7658 0.9681 0.7877 0.6472 0.0256 3.1884
(4E)-2-Amino-3-oxo-4-undecenoic acid 1.4081 1.8561 0.7000 0.5704 0.8289 0.7236 1.3092 1.2556 0.0658 1.1193
4-Ethoxy ethylbenzoate 0.7490 0.7867 0.9026 0.8768 0.8542 2.0350 0.8756 0.9052 1.1254 0.8934
4-Ethylguaiacol 1.0847 1.6936 0.8453 0.8215 1.0498 0.8884 1.1040 1.1693 0.1654 1.0139
4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 1.2796 2.5414 0.1198 0.1564 2.2602 1.6228 0.1405 0.1481 0.1109 1.5531
4-Hydroxybenzaldehyde 0.5773 1.4140 0.9570 1.2522 0.8776 1.0243 1.4094 1.5992 0.0058 0.6057
4-Hydroxybenzotriazole 0.9368 1.1870 1.1864 1.5163 0.9906 0.9085 0.9381 1.0305 0.0017 1.1305
4-Hydroxynonenal 1.7853 2.0064 0.2797 0.2764 1.8760 1.8938 0.2732 0.2849 0.2136 0.9420
4-Indolecarbaldehyde 0.8886 1.1896 0.9062 1.0216 1.0489 1.2751 1.1128 1.3519 0.0012 1.0054
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid 1.4852 2.0068 0.7470 0.4665 0.7307 0.6668 1.3428 1.2994 0.0302 1.0382
4-Methyleneglutamine 0.8801 1.0613 1.0453 0.8620 1.2641 1.1420 1.4259 1.0746 0.0151 1.0408
4-Oxocyclohexanecarboxylic acid 0.4080 1.9762 0.7689 1.0617 1.0324 1.1840 0.6992 2.0585 0.1318 0.3821
4-oxododecanedioic acid 1.3241 1.5725 1.1046 0.7952 1.0274 1.0149 0.9906 0.8325 0.0998 1.0730
4-Phenylbutyric acid 0.5571 1.0114 0.8925 1.0864 0.7819 1.2883 1.5101 1.5511 0.1501 1.0014
4-Propylbenzoic acid 0.7192 0.8660 0.8708 0.8544 0.7928 1.7933 0.9048 0.8867 1.4592 0.9309
(4R)-5-Hydroxy-L-leucine 0.6787 1.0975 0.9770 1.0896 0.9815 1.2498 1.3129 1.5023 0.0244 0.8639
(4S)-4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one 1.4434 1.7328 0.4931 0.5870 1.6113 1.7931 0.5030 0.5802 0.1646 0.9055
(4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.0~4,13~.0~8,13~]pentadecan-10-ol 1.3618 2.0464 0.2246 0.2168 1.3819 1.7190 0.2267 0.2237 0.1771 2.5719
4-Vinylcatechol 1.6210 1.7354 0.4653 0.4480 1.4894 1.5734 0.4547 0.4427 0.3247 1.3879
4-Vinylcyclohexene 1.5381 1.9527 0.3955 0.3571 1.5969 1.2607 0.4482 0.3744 0.4555 1.6398
5-(4-Methoxyphenyl)-2-methyl-1-penten-3-one 0.6714 0.9585 0.9254 0.9231 0.7638 1.9211 0.8506 0.9385 1.1394 0.9202
5-[(5-Hydroxytetrahydro-2-furanyl)methyl]-1,3-benzenediol 0.8223 1.4069 0.8388 0.9977 0.8741 1.4217 1.1082 1.2655 0.2562 0.8247
5,8,12-Trihydroxy-2-oxododecanoic acid 0.8529 1.8516 0.9465 0.9684 1.1377 1.2096 0.7100 1.1962 0.1027 0.8060
5-Benzyldihydro-2(3H)-furanone 0.7662 0.8150 0.9356 0.8631 0.7806 2.1304 0.9082 0.8365 1.0252 0.9304
5-Butyloxazole 1.7028 2.0368 0.3112 0.3186 1.5795 1.7146 0.3124 0.3149 0.2530 1.3835
5-Hydroxy-2-furoic acid 1.1850 0.8760 0.9276 0.6186 1.4094 0.9103 1.9640 1.1069 0.0070 0.7456
5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one 0.8225 1.0757 0.7028 0.7387 1.0144 2.3369 0.7271 0.7754 0.8827 0.8754
5-Hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one 0.9002 1.4012 1.2178 1.2367 1.0480 1.0978 1.2096 1.3598 0.0252 0.1358
5-Hydroxy-DL-tryptophan 1.1302 1.1301 0.9998 1.0372 1.1993 1.1540 1.1029 1.1312 0.0027 0.8915
5-Methyl-2-octyl-3(2H)-furanone 0.4948 0.4558 0.8554 0.7567 0.4327 0.8158 3.5351 1.2290 0.2745 1.0063
5-Methylcytosine 0.8403 1.0836 0.9242 1.1091 1.0754 0.9585 1.4275 1.3733 0.0141 0.9959
5-methyldeoxycytidine 0.7010 1.1080 0.9138 1.0733 1.0169 1.1374 1.4163 1.4321 0.0039 0.9976
5-Phenylvaleric acid 0.7929 0.8366 0.8315 0.8307 0.7819 2.3825 0.8421 0.8262 0.9590 0.8856
(5S)-5-hydroxy-1,7-diphenylheptan-3-one 0.5238 0.6318 0.4861 0.4363 0.4253 3.1276 0.4578 0.5606 0.1006 3.5877
6-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one 1.7436 1.8437 0.3096 0.2807 1.7582 1.8494 0.3326 0.3477 0.4236 0.9946
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine 1.1777 1.7125 0.8134 0.8258 0.8784 0.7861 1.2110 1.3455 0.0238 1.0382
6-Hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 0.6911 0.8512 0.8506 0.8504 0.7642 2.4352 0.8481 0.8424 0.9454 0.8882
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid 0.7463 1.8403 0.7540 1.1970 0.6644 1.1266 0.9331 1.5916 0.0487 0.8847
6-Hydroxycaproic acid 1.0520 1.0339 1.1221 1.0966 1.0857 0.9942 0.7866 1.2675 0.0462 1.4056
6-Methyl-6-(5-methyl-furan-2-yl)-hept-3-en-2-one 0.7325 0.7943 0.8535 0.8151 0.7786 2.4501 0.8414 0.8444 0.9937 0.8689
6-Methylquinoline 0.7085 1.0920 0.7232 0.8255 0.5679 0.7491 1.0532 1.1846 0.0044 3.3656
(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclohexyl]-L-gulonic acid 0.6455 1.6910 0.7863 0.7655 0.5532 1.3131 0.7370 2.3224 0.1402 0.8424
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.4414 0.6302 0.3949 2.9427 0.6415 0.8009 1.3573 1.4235 0.0024 1.2071
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one 0.8626 1.1347 1.0945 1.0239 1.0297 1.6472 0.7706 0.8923 0.7393 0.6915
7-hydroxy-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid 0.4392 0.6269 0.3935 2.9780 0.6379 0.7997 1.3467 1.4144 0.0046 1.2001
7-Methyl-2,6,9,12-tetraoxahexadecane 0.5587 0.8597 0.8807 0.7397 0.7714 1.6106 0.8737 1.4129 0.9763 1.3895
7-Octene-3,5-diyn-1-ol 1.3386 1.3340 0.7530 0.7721 1.3305 1.5509 0.7287 0.7387 0.2966 1.0205
7-Oxoheptanoic acid 1.1745 2.0094 0.3818 0.4993 1.3759 1.7970 0.3946 0.5447 0.1575 1.6208
8-Amino-7-oxononanoic acid 0.7589 1.3483 0.8333 0.7794 1.0578 0.9653 0.9204 1.0133 0.7853 1.6188
8-Azabicyclo[3.2.1]octane-1,2,4-triol 1.3432 2.0010 0.7517 0.5042 0.8759 0.6487 1.6433 1.0015 0.0185 1.0195
8-Azabicyclo[3.2.1]octane-1,2,7-triol 0.2593 0.3094 0.2475 0.2511 0.2006 0.1001 4.2806 3.1845 0.0882 0.8705
(8E)-10-Hydroxy-8-decenoic acid 1.1141 1.6853 0.8047 0.7057 1.1761 0.9764 1.1856 0.9680 0.2717 0.9585
8-Hydroxyquinoline 1.0500 0.5555 1.1263 0.9877 1.2452 0.8101 1.7036 1.8714 0.0789 0.2338
9,10-Dihydrokadsurenone 0.6017 1.5289 0.4267 0.4477 0.6384 2.0260 2.1307 0.9322 0.0993 0.9852
9,10-Dihydroxy-11-(3-pentyl-2-oxiranyl)undecanoic acid 0.7716 1.2191 1.0520 1.2568 0.9957 1.2735 0.9329 1.2977 0.0071 0.9939
9-Anthroic acid 0.9648 1.1107 1.1260 1.1044 1.0351 1.1778 1.1555 1.1009 0.0002 1.0309
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.8832 1.1301 0.3816 1.9363 1.1238 1.1537 0.9989 0.9316 0.0952 1.2309
9-Nitrooleate 1.5922 1.7062 0.9146 0.6222 0.9753 1.0103 1.0357 0.9493 0.0819 0.9109
9-Oxononanoic acid 1.1060 1.6803 0.6008 0.7895 1.4736 1.7715 0.6600 0.8448 0.1239 0.7178
Adenine 0.9400 2.0619 0.7732 1.2301 0.9791 0.7980 0.7271 1.2532 0.3541 0.6925
Adenosine 0.6817 3.2845 0.1876 1.7107 1.1568 0.4246 0.4954 1.3319 0.0649 0.3437
Aethusin 0.7512 0.7695 0.8565 0.7663 0.7946 2.0587 0.7505 0.7920 1.4048 1.1712
ala-ile 1.5277 1.2243 1.2533 0.5621 0.9912 0.7668 1.4856 0.9119 0.0238 1.0727
(+)-Allopumiliotoxin 267A 0.4576 0.7553 1.0423 0.4649 0.4552 0.3646 4.1675 1.5453 0.1280 0.3061
Allylcyclohexane 0.7958 0.9056 0.8921 0.8554 0.8200 2.1733 0.8822 0.8224 0.9217 0.8947
.alpha.-Apocholic acid 0.5548 1.0071 1.3434 1.3605 1.4904 0.8030 1.0848 1.0951 0.0172 1.0590
alpha-Ketoglutaric acid 1.1707 0.9051 0.7613 0.8527 1.2725 1.2300 1.7953 1.0816 0.0041 0.6594
Alvameline 0.2891 0.1820 0.4563 5.1744 0.7863 1.3839 0.3093 0.4530 0.3893 0.3178
Apocynin 0.7336 0.9100 0.9017 0.9005 0.8402 2.0552 0.8503 0.8945 1.0328 0.8597
Aprobarbital 0.7342 1.0914 0.7831 0.7810 1.0489 1.1498 1.6241 1.4779 0.0244 1.1126
Arnicolide A 0.6326 0.8400 0.8083 0.7969 0.6718 2.6260 0.8144 0.8136 1.0927 0.9027
aromadendrin 0.1006 9.0213 0.0388 0.0570 0.0870 0.1279 0.0474 0.0461 0.0351 0.0573
Asarone 0.4573 2.6515 0.5149 1.0929 0.7176 1.4832 1.0275 0.7402 0.3294 0.8142
ascopyrone M 0.6876 1.2916 0.9508 1.2088 0.9902 1.0260 1.2183 1.3859 0.0171 1.0339
Atagabalin 1.7097 1.6170 0.8776 0.5493 0.8480 0.7014 1.5233 0.8920 0.0339 1.0683
Azelaic acid 0.9056 1.6657 0.7333 0.9470 0.9312 0.9411 1.0307 1.4563 0.3991 0.8373
Bemegride 1.2771 1.9360 0.7765 0.6062 0.7803 0.6690 1.4184 1.2701 0.0092 1.0740
Benzaldehyde 0.8189 1.2532 1.0269 1.1224 1.0101 1.0939 1.2496 1.2720 0.0204 0.9207
Bis(2-butoxyethyl) ether 0.6648 0.8821 0.8878 0.8509 0.7548 2.3516 0.8064 0.8994 0.9843 0.8934
Bis(4-ethylbenzylidene)sorbitol 0.9999 1.1602 1.0019 1.1613 0.8869 1.4997 0.9513 1.0890 0.0049 1.0573
Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate 0.8122 1.1915 0.9879 1.1877 0.9720 1.2209 1.1151 1.1694 0.0058 1.1735
Bis(methylbenzylidene)sorbitol 1.1475 1.4048 0.7840 0.7776 1.3455 1.5759 0.7735 0.7583 0.2119 1.0792
Brassylic acid 1.6285 1.8914 0.2431 0.2972 1.8149 2.2549 0.2547 0.2848 0.1379 1.0252
butoctamide 1.9106 2.1778 0.0796 0.0745 2.0582 2.2713 0.0786 0.0870 0.0300 1.0478
Bz-Arg-OEt 1.4710 1.0041 2.4486 0.6864 1.4386 0.4476 0.6981 0.6398 0.0297 0.9274
C8-HSL 0.7871 2.0099 0.6301 1.0518 0.9633 0.7182 1.0678 1.5565 0.0715 0.9475
Caffeine 0.9745 1.1418 1.0909 1.0759 0.9921 1.1155 1.1441 1.1564 0.0003 1.1357
(+/-)-Camphoric acid 0.8984 1.3718 0.8708 0.8881 1.2964 1.3536 0.9035 1.1023 0.4663 0.6775
Caprolactam 1.6181 1.5068 0.9717 0.6041 0.8601 0.8531 1.3232 0.9336 0.3103 0.8512
Capryloylglycine 1.0745 1.6168 0.6770 0.5529 0.3385 0.6261 1.0422 2.7748 0.0971 1.0245
Capsi-amide 0.8632 1.0550 1.0888 0.7265 0.8675 1.7250 1.2885 1.0147 0.0772 1.1362
capuride 1.6368 1.6617 0.9072 0.5670 0.8075 0.8233 1.5208 0.8761 0.0307 0.9687
Carbazole 0.6122 1.0580 0.6882 0.7876 0.4902 0.7856 1.0091 1.1796 0.0105 3.7263
carglumic acid 0.7306 1.0316 0.8559 0.9679 1.0111 1.0558 0.9432 1.1786 0.3830 1.8986
Cervonoyl ethanolamide 0.4166 0.8283 1.7406 1.5370 1.8245 0.9524 0.6404 0.7784 0.0151 1.0872
Chromone 0.6445 1.2864 0.8541 1.2401 0.9833 1.3061 1.3032 1.5045 0.0025 0.5948
cis-acetylacrylic acid 1.8954 2.0663 0.1809 0.1864 1.9469 1.9724 0.1755 0.2679 0.1093 1.0261
Citric acid 1.0105 0.8562 0.8687 0.5904 1.3483 1.1268 2.0312 1.1632 0.0026 0.7533
Clomazone 0.0786 0.1317 0.1949 0.2141 0.6259 0.4618 3.5753 3.5241 0.0078 0.9841
CMPF 0.1728 1.5064 1.1277 1.4649 0.7200 1.6457 1.0627 1.5632 0.0811 0.3396
Corticosterone 0.6102 0.7696 1.1090 0.8728 0.7354 1.9068 1.0855 1.6969 0.0038 1.0134
Creatine 0.8551 1.3162 1.9599 1.6249 0.6644 0.8584 0.7683 0.7901 0.0199 0.9336
Creatinine 0.9674 1.0161 1.2144 1.1395 1.1002 0.9224 1.4065 1.0905 0.0082 0.9205
Crotamiton 0.6842 0.8318 0.8060 0.8326 0.6902 1.8020 0.7429 0.9591 0.9580 1.8562
Cuminaldehyde 0.7334 0.8440 0.7932 0.8593 0.8179 2.5504 0.7927 0.8419 0.8601 0.8489
Cyclohexylamine 0.6318 1.1677 1.1660 0.8709 1.0706 0.7632 1.1090 1.7136 0.0199 1.3639
Cyclo(phenylalanyl-prolyl) 0.6927 0.9707 1.1793 1.2601 0.8555 0.8018 1.5099 1.4691 0.0368 1.0394
CYCLO(-SER-TYR) 0.8381 0.3560 0.7648 0.2487 1.7373 0.7127 3.1864 0.8902 0.0212 1.0609
Cyprodenate 0.5016 0.4618 0.8757 0.7669 0.4529 0.7974 3.5025 1.2211 0.2680 1.0072
cystine 0.7043 1.2035 0.7979 1.0237 0.8497 1.7521 1.0632 1.3531 0.0078 1.0578
cystophorene 0.9237 1.5507 0.6862 0.9811 1.3699 1.9209 0.6155 0.9180 0.1263 0.6661
Cytidine 0.6820 1.1650 0.9740 0.9513 0.8778 1.1334 1.5572 1.5722 0.0014 0.8574
Cytosine 1.9351 1.3379 0.4154 0.4411 0.6049 0.3658 1.4952 0.6913 0.0014 2.8901
DEHYDROCOSTUS LACTONE 0.5758 0.7843 0.6478 0.5849 0.7007 3.7406 0.7417 0.8059 0.5819 0.6911
Desthiobiotin 0.7768 2.5285 0.8726 1.6284 0.8629 0.9328 0.6364 1.0069 0.0900 0.3533
D-Homoproline 0.7401 1.2040 0.7066 1.4295 1.2292 0.9764 1.0696 1.5046 0.0093 0.9156
Dibenzylamine 1.5273 1.0586 1.5022 0.5889 0.8597 0.8573 1.3383 0.6010 0.2695 1.3138
Dibutyl phthalate 0.4071 2.0500 0.5324 2.6608 0.4132 1.2471 0.2977 1.1459 0.0215 1.0357
Diethylene glycol 0.1076 0.1194 0.1070 0.1090 0.1077 0.1038 0.1307 0.1245 0.1816 10.6813
Diethyleneglycol dibenzoate 0.5514 0.9306 0.9519 0.8633 0.7513 2.1641 0.6570 0.8302 1.6318 0.7435
Dihydrocapsaicin 0.9552 1.5538 0.6333 0.7515 1.0225 0.8424 1.4117 1.4497 0.0524 1.1725
Dihydrokawain 0.6062 0.7454 0.7290 0.7032 0.6525 3.3482 0.7509 0.6816 1.0435 0.6853
Dihydrothymine 1.2941 2.0339 1.0673 1.3993 0.7304 0.9672 0.6683 0.6914 0.0149 0.9202
Diisopropyl phthalate 0.7039 0.7978 0.8369 0.7909 0.7283 2.6049 0.7759 0.8211 1.0530 0.8725
Dimethyl octanediimidate 2.3057 1.6082 0.8520 0.5300 0.7302 0.8215 1.3517 0.6633 0.0564 0.8654
Dioxy-creatinine 0.9463 1.2320 0.9303 1.1109 0.7671 1.3234 1.0526 1.3199 0.0085 1.1383
Diphenylamine 0.9074 1.5362 0.8262 1.0943 0.9155 1.1221 1.2696 1.4860 0.0139 0.5394
Dipropylene glycol 0.9146 0.9401 0.8114 0.7978 1.0497 1.9377 0.8375 0.9312 0.8348 0.8902
Dipropylene glycol dimethyl ether 0.2015 0.2371 0.2375 0.2340 0.2254 0.2254 0.2645 0.2491 0.3105 9.3464
D-Lactose monohydrate 0.5633 0.7398 0.5922 0.6716 2.8063 1.1794 1.1516 1.0269 0.0109 1.0753
DL-Glutamine 0.6702 0.9247 0.8194 0.9182 0.6663 1.3916 1.2045 1.5439 0.0093 1.8173
DL-Homoserine 0.2034 0.6585 0.2977 2.2095 1.3661 2.1951 1.7409 0.7067 0.0523 0.2254
DL-Lactic Acid 0.7077 1.0347 1.1006 1.1601 0.8902 1.2392 1.6649 1.3371 0.0040 0.5779
DL-Lysine 0.7767 1.1855 0.9463 1.0696 1.0173 1.1385 1.1906 1.3307 0.0045 1.1766
DL-Serine 0.5170 0.9107 0.6741 1.3047 0.5681 1.5563 1.2193 1.8775 0.0101 1.2054
DL-Tryptophan 0.8140 1.2303 0.9022 1.0039 1.0331 1.3269 1.1262 1.3554 0.0001 1.0101
Docosahexaenoic acid ethyl ester 0.2695 0.6560 2.2472 1.7747 1.8850 1.0468 0.4476 0.6515 0.0071 0.7700
Dodecanedioic acid 0.8393 1.8560 1.6527 1.4142 0.7913 0.6528 0.5237 1.1126 0.0249 0.9217
D-PANTOTHENIC ACID 0.7886 1.4895 0.9093 1.3337 0.9606 1.1703 0.9829 1.1858 0.0102 0.9640
D-(+)-Pipecolinic acid 0.7827 1.1864 0.9378 1.0743 1.0203 1.1313 1.1862 1.3287 0.0048 1.1855
D-(+)-Proline 0.9114 1.2315 1.0326 1.3529 0.9901 1.1413 1.2326 1.2218 0.0135 0.5939
D-(+)-Pyroglutamic Acid 1.0036 1.4201 0.8469 1.0099 1.0287 1.2146 1.1308 1.3423 0.0253 0.7284
D-Sphingosine 0.3941 1.3409 1.0904 1.3356 0.4337 1.2954 1.2874 1.5746 0.0221 1.0377
d-Valerolactam 0.3323 0.5134 0.3857 0.3880 0.3746 0.4611 2.5011 3.3364 0.2948 1.3395
(E)-2-Butenyl-4-methyl-threonine 1.2634 1.3493 0.8554 0.6013 0.9748 0.8852 1.3660 1.5208 0.0870 0.8927
(E)-Aconitic Acid 1.1477 0.7929 0.8445 0.5885 1.4244 1.1091 1.9517 1.0765 0.0037 0.8272
ENU 0.6271 1.4136 0.4296 0.8697 0.7161 2.0125 0.8546 1.8692 0.0065 1.0031
Ethinylestradiol 0.1506 0.1999 0.1391 5.7145 0.4150 0.3684 0.9177 0.6244 0.0467 1.2914
Ethyl 2,4-dioxohexanoate 1.7182 1.9957 0.3082 0.3171 1.8149 1.8645 0.2971 0.3003 0.2082 1.0218
Ethyl 3-methyl-3-(p-tolyl)glycidate 0.7126 0.8399 0.8475 0.8241 0.7658 2.4732 0.8180 0.8131 1.0131 0.8690
Ethyl 5-oxotetrahydro-2-furancarboxylate 0.3945 1.0960 0.7250 0.9167 0.8448 1.1571 0.9171 3.1057 0.1628 0.3911
Ethyl caproate 0.5575 0.6727 0.6728 0.6282 0.6280 0.6347 0.6580 0.6795 0.7307 4.8551
Ethyl furfurylacetate 0.7310 1.0478 0.9089 0.9488 1.0917 1.1034 0.8525 1.2188 0.5608 1.5606
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate 0.4891 1.5123 0.5975 1.3176 0.3777 1.1580 0.8947 2.3834 0.0393 1.0480
Ethyl palmitoleate 1.6644 1.6498 0.1722 0.8844 1.0866 1.7318 0.1662 1.1850 0.0420 1.2825
Ethylparaben 0.9661 1.9191 0.8845 0.7740 0.9430 0.9782 1.3326 0.9540 0.3579 0.7025
Etodolac 0.8188 1.7277 0.7888 0.6415 0.6286 0.5600 1.0992 2.4848 0.0601 1.0030
Fenfuram 0.6450 1.2724 1.3180 1.4228 1.0994 1.2228 0.9146 0.9080 0.0784 0.9178
Furaltadone 0.5782 1.2906 0.8804 1.1576 0.9007 1.0537 1.3023 1.5762 0.0033 1.0721
Gabapentin 0.7917 0.8800 1.0789 0.9716 0.9035 1.1788 0.9766 1.1089 1.0905 1.0468
Gamma-Hydroxybutyric acid 1.1405 0.9598 0.8893 0.8354 1.1142 0.9051 1.2954 1.4329 0.0425 1.2417
gepefrine 1.1821 1.7466 0.8178 0.8151 0.8604 0.7728 1.2287 1.3325 0.0215 1.0335
Gingerdione 0.6143 0.7218 0.6002 3.8425 0.6352 1.1978 0.5338 0.5269 0.4320 0.7274
glu-leu 0.7734 1.1859 1.0139 1.1117 0.9881 1.2306 1.2217 1.2681 0.0017 1.0066
glu-tyr 0.5784 1.1475 1.0635 1.0400 0.9697 1.1256 1.5452 1.4762 0.0037 0.8137
Glycidyl methacrylate 1.0392 2.6623 0.3100 0.3062 2.0125 1.9317 0.3257 0.3034 0.1111 0.7752
Glycocholic acid 0.7993 1.2899 0.6239 0.8466 1.1432 1.8362 1.1290 1.0489 0.0245 1.0793
Glycyl-4-hydroxyproline 0.4440 3.2650 0.3913 1.6587 0.5433 0.5217 0.2583 1.6422 0.1519 0.9427
Gly-Ile 1.4937 1.1358 1.2148 0.5851 0.9853 0.7025 1.7956 0.9292 0.0704 0.8771
Golotimod 0.7758 1.1483 1.0925 1.1256 0.9354 1.0603 1.3053 1.2947 0.0118 1.0657
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid 0.1385 0.0658 0.0886 0.1322 0.1497 7.2826 0.1423 0.8105 0.1457 0.8414
Hexanal 0.7819 0.7427 0.8802 0.7366 0.7660 0.6839 0.6989 0.6890 0.9096 3.6163
hexapropymate 1.3970 1.9176 0.7128 0.5983 0.6881 0.6524 1.4320 1.3862 0.0242 0.9953
Hexylresorcinol 1.8592 1.8026 0.4003 0.4138 1.6923 1.6141 0.3574 0.3727 0.1839 1.1757
HIAA 0.7846 0.6099 1.0214 0.5605 1.4109 1.0850 2.1052 1.2242 0.0022 0.9956
Hippuric acid 0.5791 0.0850 3.8375 0.6926 1.0832 0.1180 2.3039 0.1243 0.0047 0.9659
Homo-L-arginine 0.6893 1.0834 0.7247 0.8805 1.0842 1.4498 1.4095 1.5271 0.0056 0.9340
Hydrochlorothiazide 0.0306 0.0506 0.0419 0.0413 8.1828 0.0446 0.0397 0.0453 0.0343 1.3697
Hypoglycine A 1.6278 1.9984 0.7057 0.5175 0.8156 0.7187 1.4372 0.9472 0.0606 0.9793
Hypoxanthine 0.9198 3.4979 0.2697 1.5119 0.7979 0.2291 0.7821 1.1623 0.1260 0.4106
Ichthyotherol 1.0975 1.9893 0.1238 0.1063 1.1182 2.7845 0.1084 0.0960 0.1383 2.5818
Imagabalin 1.1843 0.9747 1.2433 1.0136 0.4574 0.4658 0.6530 2.8289 0.0262 0.9474
Indole 0.8646 1.2189 0.8917 1.0027 1.0696 1.2844 1.1211 1.3652 0.0011 0.9760
Indole-3-acetic acid 0.7949 1.2770 0.8586 1.1109 0.7443 0.8272 1.5587 1.5250 0.0053 1.1239
Indole-3-lactic acid 0.7562 1.0714 0.9002 1.0058 1.0289 1.1658 1.4485 1.4177 0.0071 0.9998
Inosine 0.8265 2.5583 0.4448 0.9301 1.1586 0.8530 0.9845 1.2764 0.0259 0.6838
Iodocarb (IPBC) 0.7446 0.9220 0.9069 0.9178 0.8470 1.7795 0.8940 0.9181 1.1239 0.9636
Ketamine 0.4065 0.1459 1.0796 1.0963 0.1647 2.9253 0.9507 1.1577 0.0047 2.0870
L-(+)-Arginine 1.0586 1.4527 1.3495 0.9787 1.1184 1.1432 0.8382 0.6951 0.0172 1.1898
Lauramide 0.8867 1.0241 1.0688 0.8504 0.7129 1.5475 1.1240 1.1418 0.5360 1.0187
L-(+)-Citrulline 0.8633 1.0643 1.0500 0.8720 1.2710 1.1468 1.4234 1.0745 0.0076 1.0358
L-decyline 1.5304 1.4026 0.8736 0.4454 0.6295 0.6299 1.1897 2.0663 0.0299 1.0109
Leu-pro 0.2139 0.2246 0.1924 0.2228 2.1245 0.2800 0.2188 0.2299 0.0735 7.2930
Levalbuterol 0.7822 1.0330 0.8490 0.9196 0.9856 1.8831 0.9221 0.9797 0.6853 0.8718
L-gamma-Glutamyl-L-leucine 0.8175 1.2002 0.9365 1.0869 0.9872 1.2295 1.2243 1.2844 0.0075 1.0344
L-Glutamic acid 0.8599 1.1463 0.9796 0.9583 0.9861 1.1931 1.3225 1.4157 0.0159 0.9071
l-Histidinal 1.3117 0.8597 0.3572 1.4724 0.8321 1.3052 1.0100 0.8598 0.8262 1.1637
L-Histidine 0.6531 1.1973 0.9924 1.1205 0.9518 1.2659 1.1130 1.4514 0.0273 1.0412
L-Hydroxyproline 0.8806 1.2949 0.5503 0.6873 1.0155 1.6335 1.2613 1.3148 0.0227 1.1794
Linoleamide 1.5258 1.4418 1.0493 0.6579 0.4297 0.5971 1.0126 2.0051 0.0108 1.0900
L-Isoleucine 0.8416 1.2487 0.9513 1.2251 1.0459 1.2239 1.1076 1.2532 0.0002 0.8782
L-Kynurenine 0.7848 0.6089 1.0212 0.5610 1.4065 1.0980 2.0933 1.2254 0.0020 0.9991
L-(-)-Methionine 0.2783 0.0160 0.0148 0.0202 2.0672 0.0411 0.0669 0.0212 0.0069 8.8360
L-Methionine sulfoxide 0.9267 1.1843 1.1476 1.2178 1.1674 0.9650 1.0331 1.1333 0.0015 1.0294
L(+)-Ornithine 0.8589 1.4004 0.8989 1.0349 1.0157 1.2758 0.9609 1.1621 0.1049 1.1357
L-Phenylalanine 0.8464 1.1896 1.0154 1.1421 0.9761 1.1589 1.1940 1.2638 0.0003 1.0169
L(-)-Pipecolinic acid 0.4942 1.4936 1.0389 1.3170 0.7750 1.0397 1.1733 1.7464 0.0102 0.6421
LQ1825000 1.3016 1.9015 0.8069 0.6341 0.7682 0.6958 1.3847 1.2239 0.0726 1.0315
LU3453000 0.9017 1.1403 0.9854 1.1218 1.0531 1.0804 1.1652 1.2026 0.0174 1.1694
L-Valine 0.7155 1.3067 0.8414 1.2606 1.0420 1.1534 1.1089 1.3457 0.0018 1.0305
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 0.6751 0.9264 0.7693 0.8222 0.8892 1.8327 1.5911 1.2634 0.0461 0.9921
MDPV 0.6787 0.8035 0.7996 0.7957 0.7437 2.8472 0.6944 0.7358 1.0145 0.8623
Meglutol 0.6549 1.2763 0.9321 1.1781 0.9764 1.0236 1.2220 1.4723 0.0180 1.0624
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 1.3283 1.9036 0.6925 0.5821 0.7225 0.6514 1.5138 1.3820 0.0289 1.0008
Methyl alpha-aspartylphenylalaninate 0.7733 1.0616 1.0145 1.0513 0.9433 1.1433 1.4477 1.3151 0.0088 1.0536
Methyl indole-3-acetate 1.1103 1.5639 1.3728 1.4995 0.7632 0.9203 0.7731 0.7636 0.0076 1.0339
Methyl undec-10-enoate 0.6905 1.0424 0.9271 0.8887 0.8562 1.6628 0.8890 0.9615 0.9699 1.1324
MFCD00016472 0.8679 1.1980 0.9830 1.0833 0.9758 1.4482 0.8808 1.0027 0.2603 1.1900
MFCD00037215 0.9228 1.0680 1.0112 0.7505 1.3262 0.9482 1.4040 1.1199 0.0076 1.3039
MFCD00065806 0.1431 0.1548 0.1290 7.0881 0.1888 0.3515 0.2784 0.3022 0.1101 1.0951
MFCD00070502 0.8686 0.8966 0.1327 0.2925 0.9093 0.5510 2.2019 2.1662 0.0688 1.9076
MFCD00130070 1.0556 1.0995 0.9621 0.9120 0.8341 1.4092 1.1066 1.1950 0.3593 0.9232
MFCD01111382 0.8288 0.7159 0.7694 0.9522 0.6825 2.5107 0.7131 0.9443 0.8913 0.9627
MFCD08277025 0.8732 2.2053 0.8379 0.5681 0.5371 0.3981 1.1600 2.1806 0.0343 1.0153
MFCD15144952 1.8605 2.0936 0.1765 0.1792 1.9621 2.0137 0.1735 0.2331 0.0959 1.0390
MI5550000 0.6571 0.7573 0.9104 0.8062 0.6665 2.3335 0.8064 0.8486 1.4148 0.8527
miglustat 0.5772 0.7433 0.7897 0.7713 0.8033 2.8265 0.7453 0.7900 1.1595 0.7821
Mitraphylline 1.7354 1.9196 0.1963 0.1977 1.8825 2.3321 0.2156 0.2259 0.0702 1.0485
ML-236C 0.6812 0.9660 0.8590 0.8066 0.7612 2.0452 0.8547 0.9456 1.2754 0.8251
Monoethyl phthalate 2.8725 0.9030 1.1549 0.7796 0.5213 0.7795 0.7503 0.8201 0.2811 0.9922
muramic acid 0.6189 1.0463 0.7267 1.0757 1.2098 1.2192 1.5839 1.7630 0.0333 0.4123
Muscimol 0.7793 0.9939 1.2699 1.0682 0.7585 0.9186 0.7845 1.3119 1.1910 0.9530
MX5800000 0.4160 1.2260 0.7150 1.2805 0.8638 1.8756 0.8607 1.9667 0.2077 0.2870
N~1~-(5-Aminopentyl)-N~2~-(1H-indol-3-ylacetyl)-L-aspartamide 1.4526 1.7342 0.8697 0.7007 0.9736 1.0383 1.4405 0.6134 0.0758 0.8957
N-[1-Carboxy-3-(methylsulfinyl)propyl]glutamine 0.4546 1.0683 1.3655 1.2352 1.0570 0.7543 1.7486 1.3956 0.0083 0.6430
N-[(2S)-2-Hydroxypropanoyl]-L-leucine 1.1315 2.0840 0.6929 0.7263 0.7940 0.6770 1.4769 1.2481 0.1182 0.8432
N-(3-acetamidopropyl)pyrrolidin-2-one 0.6999 0.9191 0.7859 0.7711 0.9717 1.1563 1.7930 1.6967 0.0127 0.9952
N4-Acetylcytidine 0.6068 0.9275 0.8431 1.0074 0.9017 1.1121 1.6814 1.7184 0.0062 0.9957
N6-Acetyl-L-lysine 1.0408 1.0720 0.8959 0.9103 1.4327 1.2864 1.2498 1.0669 0.0063 0.8003
N-Acetyl-alpha-neuraminic acid 0.6745 1.6041 0.7903 1.1225 0.9234 1.1064 1.1229 1.7440 0.0272 0.6128
N-Acetylimidoquinone 1.0778 1.6430 1.3217 1.3264 1.4916 0.8577 0.9468 0.5186 0.0183 0.5023
N-Acetyl-L-leucine 1.2569 1.9195 0.8634 0.5328 0.9151 0.7109 1.4659 1.2216 0.0071 0.8852
N-Aceyl-L-tyrosine 0.8311 1.1902 1.0366 1.0953 0.9316 1.1969 1.1527 1.2495 0.0125 1.1325
N-Benzylformamide 1.0629 1.9729 0.6903 1.3473 0.8668 0.8725 0.9276 1.3230 0.2223 0.4486
N-Desmethyltramadol 0.7182 0.7767 0.8681 0.7549 0.7283 0.7883 2.7570 0.9980 0.3192 1.1940
N-Formyl-L-glutamic acid 0.7842 2.9258 0.5084 1.0934 1.1054 0.2779 1.0125 0.7889 0.6682 0.7113
Nicotinamide 0.8917 1.6542 0.7070 1.2822 0.9659 1.0020 1.0058 1.3413 0.0350 0.9024
NJ5000000 0.7049 0.6419 0.8779 1.9900 0.8642 1.4916 0.9166 0.6181 0.7277 1.1408
N-lauroylglycine 0.9585 1.4306 0.8754 0.7817 0.8177 1.0301 1.3407 1.4664 0.0701 1.0533
N-Methylcaprolactam 1.4840 1.7218 0.4462 0.4490 1.4603 1.8041 0.4103 0.4236 0.2990 1.4517
N-Methylglutamate 0.3989 1.2310 1.5156 1.3201 1.5113 1.0104 1.2774 0.5558 0.2531 0.7213
N,N-Bis(2-hydroxyethyl)dodecanamide 1.8176 1.5380 0.9152 0.3650 1.0944 0.8237 1.3844 0.7709 0.0505 1.0629
N,N^-Dicyclohexylurea 0.9407 2.5658 0.9006 1.0240 1.0800 1.1242 0.9595 0.8972 0.0244 0.1105
N,N-Dihydroxy-L-tryptophan 0.8971 2.1834 1.1734 0.9417 0.9495 0.6623 1.0528 0.9116 0.0525 0.9829
N,N-dimethylarginine 0.7814 1.1081 1.0330 0.9672 0.9781 1.0788 1.5531 1.3653 0.0059 0.9129
N,N^-Diphenylguanidine 1.7326 1.1728 1.8755 0.4223 0.9783 0.9701 1.1691 0.4888 0.0126 0.9757
N-Nonanoylglycine 1.0868 1.7286 0.7776 0.7726 0.9407 0.7924 1.2775 1.3885 0.0294 1.0147
Nootkatone 0.7435 0.8998 0.8776 0.8664 0.7509 2.1234 0.8611 0.8914 1.0067 0.9757
Norophthalmic acid 0.8372 1.0852 1.0406 0.9598 1.0116 1.1815 1.5686 1.1366 0.0113 0.9623
NP-000124 1.0122 1.9541 1.1716 1.0405 0.8436 0.6965 0.8609 1.0804 0.1128 1.0625
NP-000615 0.7516 0.9535 1.0348 0.9745 0.8795 1.5331 0.9938 0.9981 0.8918 0.9594
NP-000919 1.3681 1.7992 0.7922 0.6193 0.7949 0.8784 1.3786 1.1307 0.1328 0.9154
NP-001445 0.6467 1.2227 0.7957 1.2814 1.0542 1.1168 1.5210 1.1416 0.0086 1.0164
NP-002322 1.2335 1.3061 0.8488 0.6477 0.8493 0.7245 1.3918 1.6454 0.0280 1.1629
NP-002855 1.5247 1.6423 0.4013 0.4305 1.5755 1.4827 0.4226 0.3762 0.2354 1.9448
NP-003399 0.1012 0.1176 0.1037 7.2808 0.1298 0.1776 0.1051 0.1038 0.1020 1.7485
NP-003459 0.5942 1.2877 1.0233 0.7907 1.1896 1.0192 0.8022 1.8731 0.3558 0.9194
NP-003672 0.1106 0.1006 0.0637 7.7009 0.0739 0.1239 0.0537 0.0515 0.0392 1.6124
NP-005146 1.5958 1.7511 0.4869 0.4385 1.7236 1.6299 0.4127 0.4236 0.2506 1.1718
NP-006862 0.2531 0.3243 0.3227 5.0349 0.5887 0.7296 0.6819 0.6378 0.1255 1.1583
NP-008993 2.1099 1.4535 0.7392 0.2121 1.1511 0.9933 1.4314 0.6745 0.0170 1.0267
NP-011548 1.5890 1.4252 0.8550 0.4124 0.8897 1.1134 1.1029 1.1607 0.1472 1.1676
NP-014175 0.2706 0.3973 0.2480 5.3441 0.3517 1.3545 0.3211 0.3518 0.2135 0.9875
NP-014287 1.5342 1.3016 0.8857 0.5547 0.6474 0.8797 1.2184 1.5936 0.0667 1.1643
NP-018661 0.8453 1.6908 0.9311 0.9387 0.7884 0.7108 1.2459 1.5539 0.0948 1.0241
NP-018716 0.9080 1.7451 0.7776 0.9776 0.8566 1.0968 0.9400 1.4118 0.2118 0.8963
NP-019360 0.3711 1.0466 0.7279 1.6112 0.8180 1.9183 0.7407 1.9002 0.1704 0.4119
NP-020214 1.4679 1.8012 0.4596 0.4912 1.5239 1.8059 0.4266 0.5082 0.3192 1.0753
NP-020521 1.1184 1.0417 0.9078 1.2106 0.5277 1.2014 1.1091 1.5697 0.1038 1.0383
NP-021844 0.7388 0.8402 0.8806 0.8670 0.7704 2.3417 0.8399 0.8602 0.9703 0.8562
N-pentylpantothenamide 1.0671 2.0616 0.6104 0.6925 0.9246 0.5802 1.1113 1.7458 0.0392 0.9691
N(tau)-Methyl-L-histidine 0.6612 1.1063 0.9823 0.9948 0.8207 1.3845 1.2727 1.7044 0.0101 0.8314
N-(tert-Butoxycarbonyl)-L-leucine 1.2659 2.1475 0.7309 0.6160 0.6758 0.6695 1.4295 1.2641 0.0531 0.9480
N-Tridecanoylglycine 0.7779 1.1147 0.8638 0.7661 0.7102 1.0261 1.8565 1.2606 0.0960 1.4340
N-Undecanoylglycine 0.5765 0.7030 0.8885 0.7968 0.5480 0.9040 3.0258 1.2906 0.1104 0.9731
nylon cyclic dimer 0.7132 0.8372 0.9501 0.7761 0.7100 2.5224 0.8020 0.8021 0.9737 0.8846
octadec-9-ynoic acid 1.5292 1.4423 1.0481 0.6570 0.4313 0.5981 1.0173 1.9999 0.0108 1.0853
Octodrine 1.1436 1.3912 1.0921 0.9945 1.0338 0.9392 0.8473 1.2602 0.5076 0.6151
ON1225000 0.5199 1.2399 0.7528 1.3066 1.0108 1.5908 0.8023 1.8280 0.1899 0.4963
Orcinol 0.3536 1.4365 0.8415 1.0690 1.0366 1.4641 0.7523 2.2778 0.1512 0.3095
ostruthin 0.2093 0.2802 0.1769 6.0792 0.3540 0.4652 0.5035 0.4363 0.1518 1.2176
Oxepanone 1.4138 1.0949 1.2016 0.7358 1.2231 0.9174 1.0191 0.6402 0.0959 1.5970
Palmitic Acid 0.7099 0.8786 0.8478 0.7736 0.8308 2.4897 0.8878 0.8022 0.8310 0.8936
Palmitoleic acid 1.2394 1.7006 0.4087 0.6130 1.1870 1.9528 0.6423 0.8862 0.2363 0.9763
Panthenol 0.7067 0.8241 0.8783 0.8276 0.9344 1.7474 0.8128 0.8233 1.6630 0.8939
Panthenyl ethyl ether 0.2074 0.2895 0.2615 0.2690 0.2539 0.6216 0.2920 0.2867 0.2817 8.6163
PEG-4 0.6842 1.3926 1.1430 1.0522 0.8513 1.5749 0.7587 1.0771 0.3900 0.9425
PEG n10 0.2504 0.2504 0.2123 0.2406 0.1877 0.9313 0.3137 0.2494 0.0534 8.6518
PEG n11 0.2679 0.2633 0.2369 0.2733 0.1845 0.9729 0.3513 0.2695 0.0580 8.4177
PEG n12 0.2858 0.2922 0.2468 0.3109 0.1940 0.9234 0.4105 0.2941 0.0620 8.2410
PEG n13 0.3691 0.3732 0.3073 0.4239 0.2285 1.0163 0.5140 0.3589 0.0781 7.4331
PEG n5 0.6525 1.0043 0.7470 0.8392 0.6570 3.1490 0.6357 1.0358 0.2485 0.8507
PEG n6 0.4786 0.5872 0.4458 0.4146 0.4268 3.3299 0.4166 0.5626 0.1694 3.5029
PEG n7 0.3319 0.4441 0.2708 0.3172 0.2850 1.2780 0.3659 0.3924 0.1137 7.2797
PEG n8 0.6030 1.3294 0.8232 0.9681 0.9877 1.2457 1.1920 1.5264 0.0058 1.1499
PENICILLIC ACID 0.3278 0.9653 0.7915 1.6568 0.7746 1.9205 0.8271 1.7531 0.3894 0.3396
Pentahomoserine 0.9227 1.2844 1.0084 1.3244 1.1257 1.0606 1.1138 0.9214 0.0012 1.0471
Phenol, 2-(3,7-dimethylocta-2,6-dienyl)- 0.7056 0.8126 0.8386 0.8322 0.7700 2.4830 0.6944 0.8553 1.1873 0.8232
Phenylacetylglycine 1.3305 0.3397 1.1611 0.2772 1.2533 0.2908 3.5324 0.6535 0.0056 0.9465
Phenylisocyanate 1.1898 1.2390 0.9485 1.0570 1.3572 1.3430 0.9189 0.9207 0.0157 0.7667
p-Hydroxybenzalacetone 0.8596 0.9562 0.9461 0.8735 0.8949 1.3677 0.9931 0.9721 1.1597 1.0112
Pinocembrin 0.4206 2.0838 0.2396 3.5455 0.8189 0.8995 0.3067 0.6649 0.2538 0.5220
Pipecolic acid 0.8305 1.1777 1.0836 1.2765 0.8896 1.2176 1.1155 1.1978 0.0076 1.0064
piperidinecarboxylic acid 1.5642 0.6545 1.2042 1.0033 0.8176 0.6678 1.0968 0.9070 0.9377 1.1681
Piperonylonitrile 0.6494 1.1163 0.7561 0.8902 0.8156 0.8623 1.6466 1.7756 0.0278 1.3320
Pivagabine 1.1499 1.7559 0.8045 0.7745 0.9007 0.7613 1.2341 1.3420 0.0298 1.0666
p-menth-3-ene 0.7891 0.8237 0.7550 0.7932 0.7246 2.5222 0.8448 0.8799 0.9081 0.9260
(+)-podocarpic acid 0.0495 0.2346 0.2182 6.9227 0.2147 0.3303 0.4089 0.2672 0.1538 1.0384
PPG n5 0.6641 1.2640 0.9864 0.8879 0.7532 1.1654 0.8505 2.3420 0.2477 0.6105
PPG n6 0.7230 0.9327 0.5199 0.5235 0.3896 1.1348 0.4510 4.3573 0.1800 0.5301
Precocene II 0.7099 0.8813 0.8507 0.8295 0.7650 2.4547 0.7983 0.7896 1.0239 0.8774
Pregabalin 1.9793 1.2505 0.8996 0.5611 0.9283 0.6472 0.9937 1.3238 0.0219 1.2488
pro-asn 0.6500 0.2072 0.2208 0.1621 0.5995 5.9474 0.1583 1.5054 0.0269 0.1597
Prolylleucine 0.2906 1.2057 2.5134 1.4138 1.2077 0.6487 1.5604 0.6421 0.0290 0.1179
Pseudoconhydrine 1.1020 0.9476 0.9057 0.7525 0.7395 0.8502 0.8855 1.8422 0.7262 1.2423
Pseudomonas quinolone signal 1.0745 1.4789 1.0063 1.3011 0.9803 1.2926 1.1321 1.1834 0.0522 0.1364
Pumiliotoxin 251D 1.1968 1.4664 0.9376 0.4830 0.5031 0.5931 1.4201 2.1381 0.0123 1.0652
Pyridoxamine 0.6757 1.2409 1.0150 1.0459 1.0429 1.0520 1.2244 1.3459 0.0030 1.1937
Pyrone 0.7687 1.2265 0.9914 1.0938 1.1046 0.9271 1.2989 1.3332 0.0133 1.0564
QS4476500 0.9012 0.8736 0.8442 0.8277 1.1513 1.4400 1.3316 1.3313 0.0017 1.1223
(R)-3-Hydroxy myristic acid 0.7748 1.1105 0.8143 0.8552 0.9101 1.8245 0.7542 1.1272 0.6127 1.1737
(R)-4^^-methoxydalbergione 0.5543 2.0517 1.2972 0.9709 0.8045 0.7198 1.2545 1.1749 0.1495 0.8157
Ricinoleic Acid 1.1736 1.6347 0.9616 0.5898 1.1819 1.0814 1.1209 1.0156 0.1101 0.9406
Salidroside 1.1878 1.4521 0.7592 0.7493 1.4114 1.5010 0.7650 0.7980 0.1056 1.1147
(S)-(+)-allantoin 0.8988 1.1310 1.0633 0.8561 1.0332 0.9530 1.4975 1.2949 0.0048 1.0855
S-Allyl-L-cysteine 0.5235 0.7022 0.8635 1.2587 0.5435 1.0415 1.5799 2.1641 0.0204 1.1336
Sebacic acid 0.8062 1.5702 0.7986 0.7649 0.8590 1.0874 1.0764 1.5763 0.2785 1.0477
Serotonin 0.8099 1.4998 0.4138 0.9209 1.1515 1.4854 1.1290 1.2127 0.0109 1.2103
Shogaol 0.2152 0.2976 0.2432 5.7780 0.2888 0.2701 0.6162 0.6586 0.0701 1.4704
SL7524000 1.4010 1.9429 0.7496 0.5448 0.8593 0.6699 1.5359 1.0310 0.0538 1.0282
Sorbic acid 1.4839 1.4850 0.5174 0.6139 1.6403 1.7976 0.5264 0.6120 0.1877 0.9666
Styrene 1.3070 1.2974 0.8048 0.7987 1.2763 1.5354 0.7906 0.7704 0.1945 1.0797
Succinimide 2.7312 0.1938 0.5941 0.6653 0.2676 1.0650 0.6267 1.8049 0.9076 1.1566
Sulcatol 1.5608 1.8042 0.4415 0.4002 1.4336 1.5589 0.4245 0.4078 0.3342 1.6264
Tasimelteon 0.9596 1.6419 1.0799 1.2343 0.9758 1.1004 1.2496 1.2900 0.0201 0.0655
Taurochenodeoxycholic acid 0.6304 1.8756 1.2909 1.1432 1.0312 0.9259 0.7658 0.8455 0.0237 1.3406
Taurocholic acid 0.6228 2.8252 0.2081 0.2621 2.2711 0.7209 0.3525 1.2437 0.0535 1.3136
testololactone 0.2910 0.2849 0.2379 6.3746 0.2469 0.4626 0.2549 0.2596 0.2477 1.2369
Testosterone 0.4341 0.4564 0.4291 0.4302 1.9455 1.8152 1.8088 1.3715 0.0654 1.0712
Tetraacetylethylenediamine 0.9272 1.0481 0.8506 0.7624 1.0274 1.2932 1.6301 1.3019 0.0069 0.9420
Tetramethylurea 0.0850 0.1596 0.0671 0.1067 0.0586 0.1301 0.1263 0.1874 0.0171 10.8319
Tetranor-12(S)-HETE 0.8839 0.9564 0.6545 0.8768 0.9911 1.4844 1.2948 1.4100 0.2369 1.0731
Texanol 0.6214 0.9416 0.8744 0.7977 0.7229 2.0461 0.9574 0.9734 0.9114 1.1698
Thiorphan 0.5694 0.5651 2.3493 1.4723 1.2829 0.8393 1.3108 0.3199 0.0498 1.0639
THREO-SPHINGOSINE, (-)- 1.3066 1.3374 0.9087 1.0769 0.7547 0.7831 1.0060 1.3397 0.2734 1.0854
Thymidine 0.7099 1.1182 1.1923 1.2695 0.8782 1.1717 1.1971 1.2543 0.0080 1.0033
Thymine 0.8051 1.1031 1.1412 1.2783 0.9319 1.0908 1.1940 1.2690 0.0019 0.9814
TO0127900 1.2296 1.6775 0.7190 0.6386 0.7490 0.6216 1.2550 1.8522 0.0517 1.0200
Tranexamic acid 1.8155 0.6913 0.6801 0.4608 0.5157 0.6267 0.6302 0.6362 0.6825 3.7469
Traumatic Acid 0.7319 1.7785 0.7861 1.3112 1.0044 0.9911 0.6199 1.3546 0.1829 1.0949
Traumatin 1.6082 1.8508 0.3766 0.3841 1.6691 1.8676 0.3640 0.3778 0.3015 1.0757
Triethylamine 0.1262 0.5622 0.9890 0.4524 0.5795 0.1582 2.1858 4.4588 0.0285 0.0814
Triisopropanolamine 1.5264 1.0228 1.6733 0.4020 1.5770 0.7459 1.3455 0.4590 0.0317 1.0284
Trolox 0.6833 0.8885 0.8870 0.8373 0.8020 2.1629 0.8543 0.9021 1.1373 0.8409
Tyramine 0.5238 0.8337 0.6687 2.0452 1.3491 1.0767 0.8291 1.7211 0.0769 0.6139
undecenal 0.9254 1.5364 0.6889 0.9463 1.3840 1.9711 0.6098 0.9035 0.1202 0.6732
UNII:596C064IG4 1.5528 1.2578 0.6136 0.7491 1.3575 1.7998 0.4660 0.5652 0.5343 1.0135
UQ1000000 0.8899 1.2628 0.9716 1.1592 0.9571 0.9661 1.2736 1.3987 0.0119 0.8894
Uracil 1.5465 1.0929 0.8600 0.5050 1.4634 0.4853 1.5863 0.0972 0.0611 2.3931
Ureidopropionic acid 0.6960 1.2043 0.8075 1.0186 0.9687 1.3849 1.2138 1.3807 0.1320 1.0246
Uric acid 4.2748 0.3496 0.2289 0.3577 0.6985 0.7836 0.2373 0.4075 0.0066 2.8209
UV9702000 0.2910 0.4775 0.2547 4.3861 0.5275 0.5128 2.2359 0.3079 0.4084 0.3498
Valerophenone 0.7716 0.8719 0.8596 0.8218 0.8082 2.3367 0.8523 0.8414 0.9549 0.8408
Valine 0.8452 1.1906 1.0087 1.1296 0.9762 1.3790 1.0601 1.2127 0.0014 0.9959
val-phe 0.3070 0.5598 0.3951 0.4794 0.4398 0.4824 2.3056 3.6969 0.0532 1.1144
Valproic acid 0.4290 0.2348 0.3764 0.2198 0.4662 0.7332 0.9995 5.2592 0.1857 0.9167
Vanillin 1.0158 1.1515 1.0967 1.1708 1.0993 1.1920 1.1552 1.0451 0.1756 0.6663
XT2570000 0.7079 1.0180 0.7457 0.7976 0.5559 0.6694 0.9934 1.0822 0.0246 3.7629
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:HS14 | Source:Artery Plasma
F2Treatment:HS14 | Source:Vein Plasma
F3Treatment:HS21 | Source:Artery Plasma
F4Treatment:HS21 | Source:Vein Plasma
F5Treatment:HS7 | Source:Artery Plasma
F6Treatment:HS7 | Source:Vein Plasma
F7Treatment:LS | Source:Artery Plasma
F8Treatment:LS | Source:Vein Plasma
F9Treatment:n/a | Source:n/a
F10Treatment:Plasma Pool | Source:Plasma Pool
  logo