Data for (Study ST003356)
(Analysis AN005497)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 studyMetabolite | F1 | F2 | F3 | F4 |
---|---|---|---|---|
1_1-Methylnicotinamide-d3 | 1.0562 | 0.7513 | 1.0952 | 0.6989 |
1,3-Cyclohexanedione | 1.1114 | 1.3101 | 0.8006 | 0.6055 |
1,7-Dimethyluric acid | 0.8016 | 0.9470 | 1.6741 | 1.1594 |
1,7-Dimethylxanthine | 0.6847 | 1.1349 | 2.1346 | 1.3278 |
1_Acetylcarnitine_d3 | 1.1007 | 0.7171 | 0.9462 | 0.7481 |
1_Alanine_d3 | 0.9678 | 0.8816 | 0.9163 | 0.8183 |
1_Arginine_d7 | 0.9949 | 0.9406 | 0.8242 | 1.1417 |
1_Carnitine_d3 | 0.9059 | 0.4456 | 0.5993 | 0.3581 |
1_Choline_d9 | 1.1477 | 0.7665 | 0.8921 | 0.7597 |
1_Creatine_d3 | 0.7791 | 0.2995 | 0.4721 | 0.2080 |
1_Creatinine_d3 | 0.1683 | 0.0931 | 0.1008 | 0.0948 |
1_CUDA iSTD | 1.3400 | 0.7296 | 1.1484 | 0.7420 |
1_Glutamic Acid_d3 | 0.9145 | 0.8914 | 0.7697 | 0.9628 |
1_Glutamine_d5 | 0.9378 | 0.9205 | 0.8677 | 0.8839 |
1^-Hydroxymidazolam .beta.-D-glucuronide | NA | 2.0842 | 0.0232 | 0.2414 |
1_Lysine-d8 | 1.1921 | 0.9061 | 0.9311 | 1.2188 |
1_Methionine_d8 | 0.8540 | 1.0869 | 0.8078 | 0.8352 |
1-Methyladenosine | 0.9324 | 1.2706 | 0.9958 | 1.0550 |
1-Methylguanosine | 0.8304 | 1.1889 | 0.6375 | 0.8254 |
1-Methylhistamine | 1.2108 | 1.1808 | 0.6220 | 1.1039 |
1-Methyl-L-histidine | 0.9151 | 1.2670 | 0.9436 | 1.1346 |
1-Methylnicotinamide cation | 1.0687 | 1.2162 | 0.8162 | 1.1199 |
1-Methyluric acid | 0.6089 | 1.0656 | 1.7733 | 1.0263 |
1-Methylxanthine | 0.9474 | 1.0877 | 1.8936 | 0.8244 |
1_Phenylalanine-d8 | 1.0796 | 0.9667 | 1.0082 | 0.9288 |
1_Serine_d3 | 0.9110 | 1.0954 | 0.7513 | 0.8885 |
1_TMAO_d9 | 1.1464 | 0.8389 | 0.8763 | 0.6857 |
1_Tryptophan-d5 | 1.0960 | 0.9880 | 0.9079 | 0.8539 |
2,2^,2^^-Nitrilotriethanol | 1.0642 | 1.3092 | 0.1313 | 1.2035 |
2,3,5-Trimethylpyrazine | 0.6197 | 1.4848 | 0.6948 | 1.0183 |
2-[(4-Aminobenzoyl)amino]acetic acid | 1.1068 | 1.2579 | 0.5907 | 1.0276 |
2,5,7,8-Tetramethyl-2-(.beta.-carboxyethyl)-6-hydroxychroman | 0.2523 | 1.6335 | 0.1445 | 1.5182 |
2,6-Dimethylpyridine | 1.3003 | 1.2878 | 0.6845 | 1.1245 |
2,6-Xylidine | 0.0749 | 0.0562 | 9.6925 | 1.4560 |
2-Acetylpyrazine | 1.5706 | 1.0194 | 0.2553 | 1.2519 |
2-Aminoethylphosphonic acid | 0.3926 | 1.6069 | 0.0341 | 1.0543 |
2-Aminophenol | 1.6212 | 0.7510 | 1.4716 | 1.4374 |
2-Butoxypyridine | 1.8491 | 0.7878 | 0.8452 | 1.2481 |
2-Butyl-3-methylpyrazine | 1.0993 | 1.2065 | 0.5708 | 1.2605 |
2^-Deoxyadenosine | 1.2537 | 1.1648 | 0.8587 | 0.9362 |
2-Dimethylamino-6-hydroxypurine | 0.7163 | 1.3791 | 0.8598 | 1.1441 |
2-Hydroxyibuprofen | 0.0108 | 1.2690 | 0.0084 | 2.2361 |
2-Methylbutyryl-L-carnitine | 1.1666 | 1.1600 | 0.7428 | 1.1981 |
2^-O-Methyladenosine | 0.8980 | 1.2143 | 1.1926 | 0.8640 |
2-Pyridylacetic acid | 1.1653 | 1.2639 | 0.2885 | 1.0731 |
(2R)-3-Hydroxyisovaleroylcarnitine | 0.9768 | 1.1257 | 1.0295 | 1.1903 |
3-(1-Pyrazolyl)-alanine | 2.7380 | 0.5738 | 0.1674 | 0.7770 |
3,4-Dimethoxycinnamic acid | 0.8369 | 1.1461 | 1.9375 | 1.1146 |
3,5-Lutidine | 1.5533 | 0.8918 | 1.0283 | 1.3061 |
3-Aminophenol | 0.4755 | 1.3770 | 1.2786 | 1.3162 |
(3-Carboxypropyl)trimethylammonium cation | 1.1829 | 1.1697 | 1.0388 | 0.9265 |
3-Cysteinylacetaminophen | 0.0025 | 1.2734 | 1.5588 | 1.3786 |
3-Hydroxybutyrylcarnitine | 0.5084 | 1.2021 | 1.7439 | 1.3455 |
3-Hydroxykynurenine | 0.1965 | 1.5131 | 1.2820 | 1.0213 |
3-Methoxytyramine | 0.6915 | 1.2508 | 1.3585 | 1.0399 |
3-Methyladenine | 2.0579 | 0.7446 | 0.8732 | 0.9759 |
3-Methylcytidine | 0.9807 | 1.1544 | 1.0147 | 1.0765 |
3-Methyl-L-histidine | 1.0507 | 1.1481 | 0.8816 | 1.3825 |
3-Methyloxyindole | 0.1174 | 1.6744 | 0.5588 | 1.3570 |
3^-O-Methylcytidine | 0.9025 | 1.2532 | 0.7157 | 1.0381 |
3-Pyridinemethanol | 0.2571 | 1.2392 | 1.5125 | 2.1671 |
3-Pyridylacetic acid | 1.2565 | 1.0382 | 0.8909 | 1.3996 |
3-trans-Hydroxynorcotinine | 0.3096 | 1.6859 | 0.2751 | 1.1123 |
3-Ureidopropionic acid | 0.8115 | 1.3636 | 0.5403 | 1.2140 |
4,6-Diamino-5-formamidopyrimidine | 1.0678 | 1.2798 | 0.6264 | 0.9929 |
4-Guanidinobutyric acid | 0.5487 | 1.5815 | 0.2214 | 1.0801 |
4-Hydroxy-6-methyl-2-pyrone | 1.1862 | 1.0392 | 0.7945 | 0.6079 |
4-Hydroxyhippuric acid | 0.4595 | 1.4827 | 0.4039 | 1.5461 |
4-Hydroxyomeprazole sulfide | 3.4047 | 0.0347 | 0.0099 | 0.2264 |
4-Hydroxyquinoline | 0.9654 | 1.3804 | 0.8462 | 0.7610 |
4-Imidazoleacetic acid | 1.2256 | 1.0959 | 1.0690 | 1.1179 |
4-Pyridoxate | 0.0824 | 1.4380 | 0.0488 | 2.3836 |
5-Acetylamino-6-amino-3-methyluracil | 0.9428 | 1.0923 | 1.2892 | 1.2177 |
5-Amino-1-.beta.-D-ribofuranosyl-1H-imidazole-4-carboxamide | 1.1696 | 0.9128 | 1.0884 | 0.9217 |
5-Hydroxyindole | 0.9222 | 1.2396 | 1.0520 | 1.1612 |
5-Hydroxylysine | 0.9074 | 1.2529 | 1.2929 | 0.9760 |
5-(Hydroxymethyl)quinolin-8-ol | 0.0182 | 3.6572 | NA | 0.5477 |
5^-Methylthioadenosine | 1.1138 | 1.1831 | 0.9438 | 0.7440 |
6-Hydroxymelatonin | 0.1373 | 1.5115 | 0.1438 | 1.2503 |
7,8-Dihydrobiopterin | 0.6733 | 1.0246 | 1.3094 | 1.3485 |
7,8-Dihydroneopterin | 0.6162 | 1.1519 | 0.9554 | 1.0617 |
7-Methylguanine | 1.0420 | 1.1859 | 1.0004 | 1.1717 |
7-Methylguanosine | 0.8459 | 1.2512 | NA | 0.2265 |
7-Methyluric acid | 1.5381 | 0.9114 | 1.0522 | 0.5015 |
Acetaminophen | 0.0564 | 1.1874 | 1.6779 | 2.6820 |
Acetaminophen sulfate | 0.0079 | 1.1071 | 1.8329 | 2.9990 |
Acetic acid, 2,2^-[oxybis(2,1-ethanediyloxy)]bis- | 1.3894 | 1.0134 | 0.1707 | 0.8503 |
Acetyl-carnitine | 0.8737 | 1.1612 | 1.2698 | 1.4280 |
Acetylcholine cation | 0.5709 | 1.3954 | 1.0917 | 1.2105 |
Actrarit | 0.8667 | 1.1252 | 1.8985 | 0.8739 |
Adenine | 1.1266 | 1.2490 | 0.5642 | 0.9655 |
Adenosine | 1.3556 | 1.0428 | 1.0887 | 1.0295 |
Adenosine 3^,5^-cyclic monophosphate | 1.6959 | 0.8225 | 1.1362 | 0.2136 |
Adenosine 3^-monophosphate | 0.4569 | 1.6404 | 0.3951 | 0.5746 |
Adipoyl-L-carnitine | 0.6053 | 1.2532 | 1.2599 | 0.9357 |
Ala-Ala | 0.8893 | 1.2774 | 0.8870 | 1.1799 |
Ala-Gln | 2.1035 | 0.5509 | 0.4739 | 1.5939 |
Alanine | 0.8635 | 1.3133 | 0.7950 | 1.1468 |
Allantoic acid | 1.0964 | 1.2949 | 0.1351 | 1.1965 |
Alliin | 0.6451 | 1.3194 | 1.2617 | 1.2122 |
Allopurinol | 0.2469 | 1.7583 | 0.2467 | 0.8811 |
.alpha.-Hydroxymetoprolol | 0.0044 | 1.0425 | 3.4177 | 1.2249 |
.alpha.-L-Asp-Gly | 0.8382 | 1.2548 | 0.7161 | 1.1595 |
Amlodipine | 0.4206 | 2.5156 | NA | 0.1827 |
Anabasine | 0.3723 | 2.0542 | 0.1103 | 0.8033 |
Androstan-3-ol-17-one 3-glucuronide | 0.9494 | 0.9920 | 1.3068 | 0.9288 |
Arg-Ala | 2.3603 | 0.4753 | 0.2330 | 1.2215 |
Arg-Gln | 0.2055 | 1.6512 | 0.0650 | 0.0465 |
Arg-Glu | 0.6799 | 1.3868 | 0.2342 | 0.7326 |
Arg-Gly | 0.9133 | 1.1674 | 0.6170 | 1.1481 |
Arginine | 0.2706 | 1.6171 | 0.1821 | 1.5325 |
Argininosuccinic acid | 1.1197 | 1.2042 | 0.5753 | 0.8848 |
ar-Turmerone | 0.9108 | 1.4846 | 0.3543 | 0.5284 |
Asp-Arg | 0.9365 | 1.2648 | 0.5608 | 1.0268 |
Asp-Asp | 0.7551 | 1.3114 | 0.9708 | 0.9282 |
Asp-His | 0.8739 | 1.2613 | 0.6820 | 1.0845 |
Asp-Pro | 1.0824 | 0.9980 | 0.4858 | 1.1861 |
Atorvastatin | 0.0143 | 0.9212 | 2.6900 | 0.2807 |
Benzhydrol | 0.1835 | 1.5439 | 0.1294 | 2.0222 |
Betaine | 0.9237 | 1.1813 | 1.1305 | 1.3333 |
Betaine aldehyde cation | 0.7456 | 1.3408 | 0.7587 | 1.2703 |
Betonicine | 0.2089 | 1.3021 | 2.8441 | 1.1438 |
Bisabolol oxide A | 1.1245 | 1.1558 | 0.2990 | 0.9997 |
Bisoprolol | NA | 1.2792 | NA | 0.7749 |
Caffeine | 1.9116 | 0.5703 | 1.8098 | 1.3553 |
Carboxyibuprofen | 0.3233 | 1.4628 | 0.1650 | 1.3915 |
Carnosine | 1.4683 | 0.9600 | 0.6230 | 1.4741 |
Carvedilol | 0.0466 | 1.7289 | 0.1389 | 0.5653 |
Cefpodoxime | NA | 2.1706 | NA | 0.2196 |
Cetirizine | 2.3853 | 0.0295 | NA | 0.0999 |
Choline cation | 0.7352 | 1.3268 | 1.0941 | 1.1590 |
Citrulline | 0.5930 | 1.2454 | 1.0615 | 1.5590 |
Clopidogrel | 0.1689 | 1.5265 | 0.0209 | 0.6519 |
Clopidogrel carboxylic acid | 0.0002 | 2.4885 | NA | 0.3409 |
Cotinine | 0.0432 | 1.9193 | 0.0509 | 0.8431 |
Cotinine N-.beta.-D-glucuronide | 0.0260 | 1.7059 | 0.0041 | 0.5694 |
Creatine | 0.9554 | 1.2223 | 0.8030 | 1.3293 |
Creatinine | 1.0113 | 1.1754 | 1.1189 | 1.1874 |
Cucurbitin | 0.1451 | 1.6382 | 0.1439 | 1.7258 |
Cyclohexanamine | 1.1325 | 1.0257 | 1.6593 | 0.9395 |
Cyclo(Leu-Pro) | 1.0286 | 1.1714 | 1.6251 | 0.8056 |
Cyromazine (?) | 0.1210 | 1.7142 | 0.7842 | 1.0081 |
Cystathionine | 0.9884 | 1.1774 | 0.7023 | 1.1778 |
Cystine | 0.3201 | 1.7111 | 0.2862 | 0.9883 |
Cytidine | 1.1513 | 0.8719 | 1.8201 | 0.9520 |
Cytosine | 1.3558 | 1.1278 | 0.4838 | 1.1137 |
D-2-Aminoadipic acid | 1.1184 | 1.1667 | 0.7044 | 1.2891 |
Daidzein | 0.3608 | 1.3719 | 1.2367 | 0.7570 |
D-Asparagine | 0.5804 | 1.4255 | 0.6345 | 1.3660 |
Decanoyl-L-carnitine | 0.9090 | 1.2002 | 1.4888 | 1.0548 |
Desmethylcitalopram | 0.0237 | 1.7626 | 0.0108 | 0.8158 |
Dicyclohexylamine | 1.1402 | 1.0450 | 1.8518 | 0.4655 |
(+)-Dihydrocervone | 1.1549 | 0.9737 | 0.5964 | 1.0647 |
Dimethyl sulfoxide | 0.5852 | 1.3863 | 1.2116 | 1.2589 |
Diphenhydramine | 0.0009 | 1.4718 | 0.0005 | 3.2485 |
DL-Lanthionine | 0.9115 | 1.3091 | 0.5450 | 0.9066 |
D,L-N,N-Didesmethyl-O-desmethylvenlafaxine | 0.0031 | 1.5200 | 0.0029 | 2.5927 |
DL-Phenylalanine | 0.8358 | 1.2837 | 1.1351 | 1.1017 |
DL-Sulforaphane N-acetyl-L-cysteine | 2.2278 | 0.7089 | 0.0183 | 0.9878 |
Doxylamine | 0.0104 | 2.2700 | NA | 0.2963 |
ectoine | 1.4146 | 1.0822 | 0.8178 | 0.9578 |
.epsilon.-Caprolactam | 1.3229 | 1.3349 | 0.1786 | 0.5164 |
Escitalopram | 0.0044 | 2.1071 | 0.0018 | 0.6687 |
Ethanolamine | 1.1491 | 1.0796 | 1.2627 | 1.2054 |
Ethylenediaminetetraacetic acid | 0.0014 | 1.9648 | NA | 0.0916 |
Fentanyl | 0.0777 | 1.5440 | NA | 0.4394 |
Finasteride | 0.4973 | 1.6905 | 0.3584 | 0.5751 |
Finasteridecarboxylic acid | 0.0016 | 1.4995 | 2.2918 | 0.3051 |
Gabapentin | 0.0011 | 1.3644 | 0.0009 | 3.2058 |
gamma-Glutamylisoleucine | 0.8379 | 1.2355 | 0.8013 | 1.1805 |
gamma-Glutamyltyrosine | 0.7398 | 1.1522 | 0.9818 | 0.9238 |
Glucosamine | 0.7717 | 1.3508 | 0.7914 | 1.1863 |
Glu-Gln | 1.0234 | 1.1251 | 0.6153 | 0.7095 |
Glu-Phe | 0.8667 | 1.2442 | 1.2031 | 1.1508 |
Glu-Pro | 0.6755 | 1.3350 | 0.5305 | 1.2849 |
Glutamic acid | 0.7630 | 1.3726 | 0.6527 | 1.2058 |
Glu-Thr | 0.8952 | 1.0895 | 1.2604 | 0.6779 |
Glycerophosphocholine | 0.5418 | 1.4041 | 1.1691 | 1.1855 |
Glycine | 0.7060 | 1.4041 | 0.8145 | 1.0873 |
Guanidineacetic acid | 1.1619 | 1.1544 | 0.7726 | 1.2074 |
Guanidinopropionic acid | 1.2818 | 1.2673 | 0.2661 | 0.8464 |
Guanidinosuccinic acid | 0.5177 | 1.5166 | 0.5295 | 1.2088 |
Guanine | 1.5233 | 1.0003 | 1.1598 | 0.8192 |
Guanosine-3^,5^-cyclic monophosphate | 0.7416 | 1.1552 | 0.7345 | 1.0731 |
Hexaethylene glycol | 1.0871 | 1.1897 | 0.2824 | 1.5276 |
Hexanoyl-L-carnitine | 0.9714 | 1.1516 | 0.8145 | 0.9074 |
Hippuric acid | 1.0880 | 1.1303 | 1.1206 | 1.2215 |
His-Gln | 0.6156 | 1.2489 | 0.3098 | 1.2335 |
His-Gly | 0.8797 | 1.1798 | 0.8216 | 1.3052 |
Histamine | 1.4554 | 1.0452 | 0.7443 | 1.0344 |
Histidine | 0.9929 | 1.1857 | 1.0712 | 1.2213 |
Homoserine | 0.6653 | 1.4409 | 0.8111 | 1.0038 |
Hypoxanthine | 1.3172 | 1.0513 | 1.0110 | 1.1453 |
Ibuprofen .beta.-D-glucuronide | 0.0269 | 2.2143 | NA | 0.4344 |
Indole-3-acetamide | 1.1949 | 1.1431 | 0.9383 | 1.0755 |
Indole-3-carbinol | 0.5502 | 1.5087 | 0.6677 | 1.2543 |
Indole-3-carboxaldehyde | 0.8211 | 1.4917 | 0.0258 | 1.0393 |
Indole-6-carboxaldehyde | 0.7214 | 1.3475 | 1.0829 | 1.1050 |
Ipratropium cation | NA | 2.3286 | 0.3704 | 0.3241 |
Isoleucine | 0.9385 | 1.2652 | 0.8475 | 1.1165 |
Isoxanthopterin | 0.8504 | 1.2051 | 1.0336 | 1.1217 |
Kynurenine | 0.3383 | 1.5266 | 1.2337 | 1.0581 |
L-Anserine | 2.6788 | 0.3866 | 0.3306 | 1.5401 |
L-Carnitine | 1.1552 | 1.1105 | 1.3268 | 0.8827 |
L-Cysteine-glutathione disulfide | 0.5750 | 1.2883 | 0.4524 | 1.0620 |
L-Glutamine | 0.9188 | 1.2300 | 0.9930 | 1.2459 |
L-Glutarylcarnitine | 0.9538 | 0.9978 | 1.4784 | 0.7822 |
L-Homoarginine | 0.5288 | 1.4689 | 0.5879 | 1.0075 |
L-Homocitrulline | 0.8673 | 1.2872 | 0.9114 | 1.1748 |
Lidocaine | 0.0026 | 1.7290 | 0.0063 | 1.9841 |
Lidocaine-N-Oxide | 0.0015 | 2.2009 | 0.0078 | 1.0528 |
LikelyColonicOrigin_2-Aminophenol acetate glucuronide (?) | 0.3627 | 1.6006 | 0.1767 | 1.0217 |
LikelyColonicOrigin_2-Aminophenol sulfate | 0.4657 | 1.3935 | 0.4799 | 0.8413 |
LikelyColonicOrigin_3-Hydroxyhippuric acid sulfate | 0.4351 | 1.3384 | 0.2737 | 1.2603 |
LikelyColonicOrigin_3-Hydroxyphenylacetylglutamine (?) | 0.4026 | 1.3642 | 0.9885 | 1.4120 |
LikelyColonicOrigin_5-(3^,5^-Dihydroxyphenyl)-gamma-valerolactone glucuronide | 1.4765 | 0.5285 | 0.5134 | NA |
LikelyColonicOrigin_Cinnamoylcarnitine | 0.6394 | 1.1351 | 1.2292 | 1.0281 |
LikelyColonicOrigin_Enterolactone glucuronide (Isomer 1) | 0.4442 | 1.6346 | 0.0921 | 0.8919 |
LikelyColonicOrigin_Glycocholic acid (2) | 0.7720 | 0.9453 | 2.0582 | 0.9694 |
LikelyColonicOrigin_Hemistercobilin | 0.3630 | 1.2302 | 0.8065 | 1.4820 |
LikelyColonicOrigin_Hexahydrohippuric acid | 2.1419 | 0.7709 | 0.4935 | 0.9657 |
LikelyColonicOrigin_Phenylacetylglutamate | 0.5541 | 0.9954 | 3.3355 | 1.3514 |
LikelyColonicOrigin_Phenylacetylhistidine (?) | 0.3838 | 1.2798 | 1.0500 | 1.0800 |
LikelyColonicOrigin_Piperine -CH2 +3H2 (desmethyltetrahydropiperine) glucuronide isomer (2) | 0.0971 | 1.1307 | 2.3557 | 1.3791 |
LikelyColonicOrigin_Piperine -CH2 +3H2 +O (hydroxydesmethyltetrahydropiperine) glucuronide isomer (2) | 0.0750 | 1.3802 | 1.1599 | 0.7497 |
LikelyColonicOrigin_Piperine -CH2 +3H2 +O (hydroxydesmethyltetrahydropiperine) sulfate isomer (1) | 0.4137 | 1.1636 | 2.5219 | 0.8911 |
LikelyColonicOrigin_Stercobilinogen isomer, late-eluting (biliverdin +7H2) | 2.8385 | 0.3370 | 1.4991 | 0.3211 |
LikelyColonicOrigin_Urobilin isomer, late-eluting (biliverdin +5H2) | 1.9888 | 0.6012 | 0.7949 | 0.7546 |
Lisinopril | NA | 1.8343 | NA | 0.1657 |
L-Isoserine | 0.6374 | 1.3036 | 1.5116 | 1.1366 |
L-Leucine | 1.6284 | 0.8443 | 1.6624 | 0.9027 |
L-Methionine | 0.6937 | 1.4153 | 0.8562 | 1.0443 |
Losartan | 0.0005 | 1.9609 | 1.6899 | 0.2326 |
L-Propionylcarnitine | 0.9971 | 1.1590 | 1.2274 | 1.2181 |
L-Saccharopine | 0.5105 | 1.2722 | 0.7843 | 1.0340 |
L-Threonine | 0.7909 | 1.2721 | 1.2031 | 1.1850 |
Lys-Ala | 1.3696 | 1.0816 | 0.3710 | 1.3350 |
Lys-Asp | 0.6867 | 1.3564 | 0.6980 | 1.0675 |
Lys-Gly | 1.0373 | 1.3461 | 0.3541 | 0.7818 |
Lysine | 0.4530 | 1.4605 | 0.4428 | 1.6217 |
Malonyl-L-carnitine | 0.5920 | 1.3337 | 0.9636 | 1.1720 |
Maltol | 1.2795 | 1.0998 | 0.4550 | 1.0708 |
Melamine | 0.5511 | 1.5981 | 0.3511 | 0.6719 |
Melatonin | 0.0562 | 1.4046 | 1.6556 | 0.8320 |
Mepiquat cation (?) | 1.2920 | 1.1137 | 0.5837 | 1.2144 |
Metformin | 0.0021 | 1.1383 | 0.0149 | 4.0924 |
Methionine sulfoxide | 1.0245 | 1.1687 | 0.9900 | 1.2100 |
Methylecgonine | 0.1889 | 1.6766 | 0.2487 | 1.3731 |
Metoprolol | 0.0002 | 0.2771 | 5.0605 | 0.5900 |
Metoprolol acid | 0.0066 | 1.2796 | 2.6789 | 1.7491 |
Midazolam | NA | 1.5514 | NA | 0.2648 |
N1,N12-Diacetylspermine | 0.5618 | 1.3076 | 0.8030 | 1.1107 |
N-(2,6-Dimethylphenyl)-1-piperazineacetamide | 0.0583 | 0.0698 | 8.6897 | 2.4775 |
N-(2-Furoyl)glycine | 1.6641 | 0.6431 | 1.6280 | 1.3466 |
N2-Methylguanosine | 0.8137 | 1.1340 | 0.7620 | 0.9951 |
N~5~-Carbamoyl-N~2~-(phenylacetyl)ornithine | 0.4211 | 1.2324 | 1.2972 | 1.0302 |
N6-Methyladenosine | 1.3155 | 1.0640 | 0.7098 | 0.9687 |
N6,N6-dimethyllysine | 1.0769 | 1.1867 | 0.7907 | 1.2384 |
N8-Acetylspermidine | 0.8453 | 1.3712 | 0.7671 | 0.9790 |
N-Acetylaspartylglutamic acid | 0.9057 | 1.0562 | 0.8572 | 1.0591 |
N-Acetylglucosaminylasparagine | 0.5989 | 1.2685 | 0.6692 | 0.9485 |
N-Acetylhistamine | 1.3538 | 1.1013 | 0.4166 | 1.2751 |
N-Acetylhistidine | 0.9003 | 1.2372 | 1.0830 | 1.1943 |
N-Acetyl-L-carnosine | 1.0099 | 1.1102 | 1.0270 | 1.1881 |
N-Acetyl-L-glutamine | 0.7807 | 1.1468 | 1.2210 | 1.0251 |
N-Acetylneuraminic acid | 0.6060 | 1.4553 | 0.7807 | 1.1125 |
N-Acetylneuraminic acid, 2,3-dehydro-2-deoxy- | 0.5722 | 1.3083 | 0.7964 | 1.0909 |
N-Acetyl-O-methyltyrosine | 1.4229 | 1.0614 | 0.9200 | 0.6257 |
N-acetyl putrescine | 0.9618 | 1.3063 | 0.5878 | 1.1255 |
N-Acetyltryptophan | 0.9096 | 1.2881 | 0.5227 | 1.0072 |
N.alpha.-Acetyl-L-lysine | 0.5770 | 1.4111 | 1.0167 | 1.1901 |
N-.alpha.-Acetyl-L-ornithine | 0.7821 | 1.3250 | 0.5624 | 1.4058 |
N-Bisdesmethyl Tramadol | 0.3379 | 1.8717 | 0.2938 | 0.1240 |
N-Carboxyethyl-.gamma.-aminobutyric acid | 0.5753 | 1.4260 | 1.1576 | 1.0384 |
N-epsilon-Acetyllysine | 0.8442 | 1.3056 | 1.0508 | 1.0544 |
N.epsilon.-Methyl-L-lysine | 0.5153 | 1.4668 | 0.9633 | 1.1255 |
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 1.0202 | 1.1816 | 1.2729 | 1.0490 |
Niacinamide | 1.0584 | 1.2453 | 0.7809 | 1.0006 |
Nicotinamide N-oxide | 1.1318 | 1.2134 | 0.5883 | 1.1484 |
Nicotinamide riboside cation | 1.3410 | 1.0334 | 0.9009 | 0.9168 |
(-)-Nicotine | 0.0058 | 2.9649 | 0.0023 | 0.7192 |
Nicotine N-.beta.-D-glucuronide | 0.0034 | 1.5009 | NA | 0.8266 |
N-Methyl-.gamma.-oxo-3-pyridinebutanamide | 0.3087 | 1.6820 | 0.2561 | 0.8139 |
N-Methylhistidine | 0.4920 | 1.1984 | 0.8463 | 2.3184 |
N-Methylisoleucine | 1.0386 | 1.2401 | 0.6722 | 1.1711 |
N-Methylleucine | 0.6614 | 1.4019 | 1.0197 | 1.0479 |
N-Methyl-L-proline | 0.4585 | 1.4079 | 0.8037 | 1.5765 |
N-MethylUrea | 0.9660 | 1.2707 | 0.7623 | 1.0505 |
N,N-dimethylaniline | 1.5163 | 0.8711 | 0.9462 | 1.5166 |
N,N-Dimethylarginine (a) | 0.9056 | 1.2433 | 1.1435 | 1.1193 |
N,N-Dimethylarginine (b) | 0.9302 | 1.2547 | 0.9583 | 1.1480 |
N,N-Dimethyldodecylamine N-oxide | 1.4582 | 0.5712 | 2.9343 | 0.6273 |
N,N-Dimethylguanosine | 0.6846 | 1.3328 | 0.8307 | 1.0791 |
Norlidocaine | 0.0080 | 1.9812 | 0.0828 | 0.9953 |
Nornicotine | 0.0033 | 4.4633 | NA | 0.3541 |
N-Tigloylglycine | 0.7243 | 1.4633 | 0.5197 | 0.9980 |
Nudifloramide | 1.0921 | 1.2582 | 0.6301 | 1.0290 |
Octanoylcarnitine | 0.6097 | 1.0838 | 2.5067 | 1.1073 |
O-Demethylmetoprolol | 0.0216 | 4.0841 | 3.4759 | 0.4635 |
O-Desarylranolazine | 0.0004 | 0.0030 | 7.7642 | 1.8122 |
O-Desmethyl-cis-tramadol | 0.0009 | 1.5582 | 0.0003 | 2.8037 |
Omeprazole N-oxide | 4.5427 | 0.0032 | NA | 0.1514 |
Omeprazole sulfide | 3.8539 | 0.1443 | 0.0899 | 0.3685 |
Omeprazole sulfone | 2.1930 | 0.0297 | NA | 0.1304 |
Ondansetron | 0.0023 | 1.2108 | NA | 1.0334 |
O-Phosphocholine | 0.1510 | 1.7309 | 0.5221 | 0.7547 |
Ornithine | 0.1275 | 1.8342 | 0.0884 | 1.0125 |
Oxypurinol | 2.3574 | 0.3213 | NA | NA |
p-Acetamidophenyl .beta.-D-glucuronide | 0.0044 | 1.6280 | 1.4812 | 0.6281 |
Pantothenic acid | 0.5930 | 1.5083 | 0.2589 | 1.2749 |
Pentaethylene glycol | 1.0238 | 1.1810 | 0.7393 | 1.2005 |
Phe-Gly | 0.4534 | 1.4086 | 0.9540 | 1.1509 |
Phenethylacetate | 0.8974 | 1.3334 | 0.7778 | 0.9708 |
Phenylacetaldehyde | 1.4267 | 1.2021 | 1.0023 | 0.3357 |
Phenylacetylglutamine | 0.6409 | 1.3093 | 1.1745 | 1.3646 |
Phe-Pro | 1.1690 | 1.0738 | 0.6107 | 0.9592 |
Pipecolic acid | 0.8980 | 1.3316 | 0.3867 | 1.1784 |
piperidine | 0.6548 | 1.3440 | 0.7758 | 1.1933 |
Piperine | 0.5047 | 1.0267 | 2.4873 | 0.8922 |
Piperitone | 0.3476 | 1.4338 | 0.4847 | 0.9132 |
Pro-Ala | 1.3577 | 1.1766 | 0.4040 | 0.9686 |
Pro-Gln | 1.5125 | 0.7533 | 0.3569 | 1.3906 |
Pro-Glu | 0.8845 | 1.3018 | 0.4676 | 1.0414 |
Proline | 0.7615 | 1.2949 | 1.0015 | 1.0547 |
Proline-hydroxyproline | 0.8741 | 1.2537 | 0.9902 | 1.2424 |
Pro-Phe | 1.1108 | 1.0027 | 0.7553 | 0.9309 |
Pro-Pro | 1.3229 | 1.1257 | 0.6822 | 1.0621 |
Pro-Ser | 1.6177 | 0.9120 | 0.3784 | 1.1959 |
Pro-Thr | 1.3838 | 1.0066 | 0.4899 | 1.2071 |
Pseudoephedrine/ephedrine | 0.3035 | 1.6757 | 0.5406 | 0.9871 |
Pterine | 1.0805 | 1.0502 | 0.3458 | 0.8564 |
P-Toluenesulfonic acid | 0.5611 | 1.3793 | 0.6291 | 0.9395 |
Putrescine | 0.6107 | 1.4232 | 0.5276 | 0.9980 |
Pyridine | 0.6000 | 1.4854 | 0.6940 | 1.0301 |
Pyridoxal | 0.2311 | 1.8611 | 0.1669 | 0.6464 |
Pyridoxamine | 0.2586 | 1.7178 | 0.1005 | 1.1868 |
Pyridoxine | 0.4153 | 1.5307 | 0.6086 | 1.4806 |
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)- | 1.4537 | 1.0048 | 1.0292 | 1.0470 |
Quinoline-2,4-diol | 0.7601 | 1.2748 | 0.9653 | 1.0391 |
Quinoline-2,8-diol | 0.5608 | 1.3854 | 1.4083 | 1.0577 |
rac-Didemethylcitalopram | 0.2241 | 1.6659 | 0.1374 | 0.7956 |
rac-N,N-Didesmethyl-O-desmethylvenlafaxine glucuronide | NA | 3.1403 | NA | 0.2866 |
Ranolazine | NA | 0.0000 | 3.2002 | 0.5332 |
(R)-Butyrylcarnitine | 1.1295 | 1.1963 | 0.6477 | 1.1907 |
Riboflavin | 0.7589 | 1.2330 | 0.2295 | 1.0639 |
Rosuvastatin | NA | 2.3782 | NA | 0.5406 |
(R,S)-Norcotinine | 0.2430 | 1.8504 | 0.0809 | 1.0045 |
(S)-1-Methylnicotinium cation | NA | 3.5239 | NA | 0.3159 |
S-Adenosyl-homocysteine | 0.4945 | 1.3415 | 0.8748 | 1.0510 |
S-Adenosyl-methionine | 0.7399 | 1.3755 | 0.7519 | 0.8493 |
S-Carboxymethyl-L-cysteine | 0.3391 | 1.5187 | 0.3810 | 0.6598 |
(S)-Cotinine N-oxide | 0.0513 | 1.8015 | 0.0225 | 1.3409 |
Serine | 0.8479 | 1.2858 | 0.9260 | 1.2038 |
Serotonin | 0.8484 | 1.2204 | 1.5495 | 1.0202 |
S-Methyl-3-thioacetaminophen | 0.0696 | 1.3705 | 0.2669 | 2.5332 |
Spermine | 2.5440 | 0.4627 | 0.1226 | 1.4212 |
S-succinylcysteine | 0.5741 | 1.4231 | 0.8224 | 0.9436 |
S-Sulfocysteine | 0.6537 | 1.5249 | 0.7946 | 0.9013 |
Stachydrine | 0.6638 | 1.1904 | 1.7838 | 1.3860 |
Stercobilin | 1.1944 | 1.0099 | 0.6899 | 0.8597 |
Sucrose | 0.8970 | 1.1584 | 1.0544 | 1.4126 |
Synephrine | 0.6183 | 1.6811 | 0.5875 | 0.5239 |
Taurine | 1.0186 | 1.0132 | 0.9369 | 0.9519 |
Theanine | 0.7486 | 1.5302 | 0.4154 | 0.7318 |
Thiamine cation | 1.0363 | 1.2261 | 0.2466 | 1.1830 |
Thymine | 2.5267 | 0.5140 | 0.2588 | 0.7177 |
Thymol | 2.2210 | 0.8029 | 0.4388 | 0.6439 |
Tramadol | 0.0012 | 1.6057 | 0.0001 | 2.7864 |
Tramadol N-Oxide | 0.0036 | 2.6908 | 0.0023 | 1.0725 |
trans-3^-Hydroxycotinine | 0.0183 | 1.7656 | 0.0158 | 1.2235 |
trans-3^-Hydroxycotinine O-.beta.-D-glucuronide | 0.0986 | 2.5067 | 0.0459 | 0.6271 |
trans-4-Hydroxy-L-proline | 0.5947 | 1.4887 | 1.1090 | 0.7797 |
trans-Nicotine-1^-oxide | 0.0273 | 2.0754 | 0.0158 | 0.6320 |
Trigonelline | 1.0943 | 1.0760 | 1.2481 | 1.3415 |
Trimethylamine N-oxide (TMAO) | 0.9472 | 1.1747 | 1.2499 | 1.2392 |
Tris(2-butoxyethyl) phosphate | 1.4551 | 0.6298 | 3.2735 | 0.6054 |
Tryptophan | 0.7177 | 1.3530 | 1.0761 | 1.1014 |
Unknown | 0.7317 | 1.5295 | 0.4123 | 0.9370 |
Urea | 1.0918 | 1.1555 | 1.0189 | 1.1786 |
Urocanic acid | 0.9717 | 1.2292 | 0.8265 | 1.2510 |
Val-Pro | 1.0492 | 1.1302 | 1.3349 | 1.1014 |
Xanthosine | 0.7475 | 1.2377 | 0.5615 | 1.1745 |
Z-Ligustilide | 0.9458 | 1.1985 | 0.7717 | 1.1324 |
Factors:
F1 | Sample source:Urine | Disease:healthy control |
F2 | Sample source:Urine | Disease:kidney stone |
F3 | Sample source:Urine | Disease:NA |
F4 | Sample source:Urine | Disease:pooled control |