Data for (Study ST004103)
(Analysis AN006804)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| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 11a-Hydroxyprogesterone | 1.1312 | 0.9993 | 1.0743 | 1.1789 | 0.9721 | 0.4651 | 0.6604 | 0.8791 | 0.9898 | 0.9403 | 1.0863 | 0.9899 | 0.9665 | 1.0216 | 1.0010 | 1.1309 | 1.0242 |
| 17-Epiestriol | NA | NA | NA | NA | 0.6437 | 1.6530 | 1.1977 | 1.3061 | 1.1275 | NA | NA | NA | NA | 0.6811 | 1.1436 | 0.7552 | 1.0437 |
| 17-Hydroxyprogesterone | 1.8600 | 1.8597 | 1.8335 | 1.9689 | 0.3875 | 0.4155 | 0.4945 | 0.3257 | 0.3747 | 1.3268 | 1.7245 | 1.4950 | 1.3556 | 0.3446 | 0.3249 | 0.3740 | 0.3560 |
| 1-Methyladenosine | 1.1182 | 0.5329 | 0.8218 | 0.5471 | NA | NA | NA | NA | NA | 1.8567 | 0.6732 | 1.3800 | 0.8720 | NA | NA | NA | NA |
| 2,2-Dimethylsuccinic acid | 0.9511 | 1.0029 | 0.8171 | 0.9862 | 1.0329 | 0.9665 | 0.9816 | 1.2686 | 0.9637 | 0.7523 | 1.2620 | 0.8599 | 1.1177 | 1.0173 | 1.0000 | 1.0285 | 1.0262 |
| 2,3-Butanediol | 0.6300 | 0.8877 | 0.8804 | 0.8203 | 1.4455 | 1.7737 | 1.2593 | 1.3884 | 1.0956 | 0.5406 | 0.8073 | 0.6776 | 0.6472 | 1.2649 | 1.2344 | 1.1004 | 1.1625 |
| 2,5-Furandicarboxylic acid | 0.9359 | 0.9516 | 1.0735 | 0.8174 | 1.0363 | 1.2249 | 1.1150 | 1.2939 | 1.1578 | 0.9639 | 0.7655 | 0.9203 | 0.8652 | 0.9842 | 1.1154 | 1.0041 | 0.9338 |
| 2-Ethyl-2-hydroxybutyric acid | 0.4317 | 0.3891 | 0.3804 | 0.4222 | 1.6182 | 1.6983 | 1.5470 | 1.9515 | 1.6334 | 0.2518 | 0.2944 | 0.3731 | 0.3091 | 1.3395 | 1.6889 | 1.4544 | 1.5673 |
| 2-Hydroxyadenine | 1.1905 | 1.3103 | 1.3501 | 1.0973 | 0.4623 | 0.3000 | 0.6940 | 0.5758 | 0.3392 | 1.5054 | 1.5898 | 1.8257 | 1.5198 | 0.5702 | 0.7226 | 0.4070 | 0.9934 |
| 2-Hydroxycaproic acid | 0.7158 | 0.6446 | 0.6368 | 0.7237 | 1.3561 | 1.0747 | 1.1997 | 1.3014 | 1.1881 | 0.9166 | 0.6633 | 0.9010 | 0.8615 | 1.0629 | 1.2126 | 1.3208 | 1.1378 |
| 2-Hydroxyphenethylamine | 1.0017 | 0.9057 | 1.0806 | 1.0200 | 1.0306 | 0.7184 | 0.8169 | 1.0126 | 0.9425 | 1.2516 | 1.0094 | 1.1528 | 1.2220 | 0.9703 | 0.6667 | 0.9076 | 1.0003 |
| 2-Ketohexanoic acid | 0.9103 | 1.1934 | 1.0041 | 1.0333 | 1.0459 | 1.1065 | 1.0222 | 1.2528 | 1.0363 | 0.7832 | 1.0137 | 0.9074 | 0.8404 | 0.8742 | 1.1336 | 0.9659 | 1.0251 |
| 2-Phenylbutyric acid | 0.4732 | 0.5544 | 0.4686 | 0.4802 | 1.4394 | 1.5079 | 1.2485 | 2.1283 | 1.4036 | 0.3584 | 0.4286 | 0.4147 | 0.3870 | 1.6225 | 1.6353 | 1.2729 | 1.2651 |
| 2-Phenylglycine | NA | NA | NA | NA | 0.5988 | 1.1984 | 1.2303 | 1.2148 | 0.7712 | NA | NA | NA | NA | 0.7259 | 1.2198 | 1.1777 | 1.0878 |
| 2-Pyrrolidinone | 0.5126 | 0.5368 | 0.4768 | 0.3684 | 1.5838 | 1.5269 | 1.3829 | 1.3183 | 1.3652 | 0.6072 | 0.4896 | 0.4959 | 0.4464 | 1.3247 | 1.2779 | 1.2251 | 1.2462 |
| 3,4,5-Trimethoxycinnamic acid | 0.7887 | 1.5100 | 1.2250 | 1.3799 | NA | NA | NA | NA | NA | 0.1453 | 0.9397 | 0.2377 | 0.7277 | NA | NA | NA | NA |
| 3,4-Dihydroxymandelic acid | 1.1330 | 0.9964 | 1.0450 | 1.1163 | 0.9875 | 1.0083 | 1.0030 | 1.0351 | 0.9792 | 1.1403 | 0.9908 | 1.1894 | 1.0426 | 0.8006 | 0.9843 | 0.8274 | 0.7253 |
| 3a,6b,7b-Trihydroxy-5b-cholanoic acid | 0.5857 | 0.5857 | 0.6182 | 0.5018 | 2.0493 | 1.1712 | 1.2619 | 0.7971 | 0.8993 | 0.8212 | 0.6874 | 0.6894 | 0.8718 | 1.0455 | 2.3107 | 0.9649 | 1.1140 |
| 3-Aminoisobutanoic acid | NA | NA | NA | NA | 0.7741 | 2.0383 | 1.7597 | 1.0893 | 1.1707 | NA | NA | NA | NA | 0.5625 | 1.1045 | 0.8195 | 0.6848 |
| 3b-Hydroxy-5-cholenoic acid | 0.8187 | 1.2038 | 1.3784 | 0.9710 | 1.0527 | 0.7872 | 0.9218 | 1.2497 | 1.0382 | 0.9298 | 1.0447 | 0.9232 | 0.9741 | 1.0347 | 1.0540 | 0.9059 | 0.6261 |
| 3-Hexenedioic acid | 0.9065 | 0.9851 | 0.8572 | 0.8915 | 1.0747 | 1.0471 | 0.9289 | 1.1728 | 0.9881 | 0.7011 | 1.2977 | 0.9378 | 1.0634 | 1.0645 | 1.0396 | 1.0837 | 1.0181 |
| 3-Hydroxymethylglutaric acid | 1.5319 | 1.1021 | 1.5030 | 0.9572 | 0.9304 | 0.1385 | 1.1619 | 1.3390 | 0.7172 | 0.6861 | 1.1401 | 1.3451 | 0.7733 | 1.0844 | 0.4161 | 0.7901 | 0.5743 |
| 3-Methyl-2-oxovaleric acid | 0.7261 | 0.6174 | 0.8374 | 0.5459 | 1.6411 | 0.7935 | 0.8820 | 1.0639 | 1.3898 | 1.2681 | 0.6587 | 1.0128 | 0.8977 | 0.6547 | 1.3038 | 1.1469 | 1.0168 |
| 3-Methylindole | 0.3274 | 0.3090 | 0.3246 | 0.2409 | 1.4043 | 0.9540 | 1.1271 | 1.4899 | 1.0408 | 0.4113 | 0.6021 | 0.4163 | 0.3400 | 1.9874 | 2.0083 | 1.8728 | 1.8471 |
| 3-Methylxanthine | 0.9769 | 0.7815 | 2.4091 | 1.2946 | NA | NA | NA | NA | NA | 0.5075 | 0.7971 | 0.5826 | 0.5180 | NA | NA | NA | NA |
| 3-Nitrotyrosine | 0.8749 | 1.0310 | 1.2865 | 1.0397 | NA | NA | NA | NA | NA | 0.5507 | 1.2683 | 1.2889 | 0.7349 | NA | NA | NA | NA |
| 3-Phenylbutyric acid | 0.9404 | 1.0094 | 0.7650 | 0.9949 | 1.0583 | 1.0568 | 1.0207 | 1.0458 | 1.0222 | 0.9193 | 0.9660 | 0.9483 | 0.9550 | 1.0584 | 1.0794 | 1.1002 | 1.1060 |
| 4-Aminohippuric acid | 1.3557 | 1.2304 | 1.2151 | 1.9056 | 0.8336 | 1.5780 | 0.9332 | 0.5750 | 1.1980 | 0.9828 | 0.7644 | 1.1417 | 1.1952 | 0.6363 | 0.6538 | 0.6531 | 0.6686 |
| 4-Guanidinobutanoic acid | 2.2479 | 2.0233 | 0.9086 | 2.1860 | 0.2828 | 0.3058 | 0.3405 | 0.5384 | 0.2398 | 2.0722 | 2.1298 | 2.0835 | 2.2080 | 0.4406 | 0.4101 | 0.4484 | 0.3271 |
| 4-Pyridoxic acid | 0.7348 | 0.9830 | 0.5720 | 1.0866 | NA | NA | NA | NA | NA | 1.1011 | 0.9201 | 1.4234 | 1.1426 | NA | NA | NA | NA |
| 5-Aminolevulinic acid | 0.8403 | 0.6797 | 0.7801 | 0.6979 | 2.6582 | 1.3483 | 1.5928 | 1.4178 | 1.2505 | 1.0660 | 0.9394 | 0.8054 | 0.8941 | 0.3607 | 0.6959 | 0.5319 | 0.3465 |
| 5-Aminopentanoic acid | NA | NA | NA | NA | 1.2388 | 0.8276 | 0.7903 | 0.8752 | 0.7654 | NA | NA | NA | NA | 0.8243 | 1.2669 | 1.0718 | 1.1626 |
| 5-Hydroxyindoleacetic acid | 0.7516 | 0.6416 | 0.8891 | 0.6679 | 0.2989 | 0.3626 | 0.5395 | 0.4886 | 0.2734 | 0.5493 | 3.7192 | 1.5866 | 2.2437 | 0.8365 | 0.8165 | 0.8153 | 1.3506 |
| 5-Hydroxy-L-tryptophan | 0.4097 | 0.4572 | 0.4511 | 0.4290 | 1.1211 | 1.2567 | 1.0066 | 1.3498 | 0.8633 | 0.5873 | 1.0087 | 1.2148 | 1.2861 | 0.9983 | 2.0040 | 1.4478 | 1.2360 |
| 5-Methoxytryptophan | 0.9508 | 0.9648 | 1.0584 | 0.8025 | NA | NA | NA | NA | NA | 1.0803 | 0.9493 | 1.1087 | 1.0811 | NA | NA | NA | NA |
| 5-Methoxytryptophol | 1.4125 | 1.4411 | 1.3914 | 1.8931 | 0.4293 | 1.4325 | 0.4967 | 1.1380 | 1.3680 | 0.3392 | 1.8595 | 0.3633 | 0.6137 | 1.0170 | 0.8119 | 0.8981 | 0.7354 |
| 5-Methylcytidine | NA | NA | NA | NA | 0.5891 | 0.4409 | 0.3188 | 0.4173 | 0.3843 | NA | NA | NA | NA | 2.7139 | 0.7146 | 1.3976 | 1.0167 |
| 5^-Methylthioadenosine | 0.4952 | 0.4172 | 0.5172 | 0.3445 | 0.9708 | 1.1606 | 1.1576 | 1.1388 | 1.1035 | 0.7162 | 0.5243 | 0.5002 | 0.7479 | 0.8550 | 2.0159 | 2.1849 | 2.0459 |
| 5-Phenylvaleric acid | 1.1909 | 1.2240 | 1.7979 | 1.5634 | 0.6838 | 0.5131 | 0.6948 | 0.8544 | 0.8110 | 1.0656 | 2.1184 | 1.0484 | 1.1318 | 0.4544 | 0.6551 | 0.5678 | 0.4966 |
| 6-Methyladenine | NA | NA | NA | NA | 0.5626 | NA | 2.6738 | 1.0889 | 1.1528 | NA | NA | NA | NA | 0.0760 | 1.4084 | 0.4688 | 0.7808 |
| 7,8-Dihydrobiopterin | 1.2699 | 1.0393 | 1.4286 | 1.7385 | 0.4168 | 0.2529 | 0.4604 | 0.4595 | 0.5240 | 0.5504 | 1.5021 | 1.5267 | 1.0126 | 0.8556 | 1.3774 | 1.0621 | 0.8536 |
| 7-Ketocholesterol | 0.3516 | 0.5681 | 0.6330 | 0.6477 | 0.7477 | 0.3264 | NA | 0.5910 | 0.7358 | 0.6534 | 1.1248 | 0.8018 | 1.0814 | 1.7667 | 1.6418 | 1.9448 | 1.2150 |
| 7-Methylguanine | 0.5090 | 0.3678 | 0.3452 | 0.3465 | 0.5982 | 0.3437 | 0.8121 | 0.6801 | 0.6118 | 1.2716 | 0.6903 | 0.8277 | 1.0597 | 0.6201 | 3.5402 | 0.6796 | 2.8707 |
| 7-Methylguanosine | NA | NA | NA | NA | 0.6085 | 0.5260 | 0.7710 | 1.0048 | 0.3949 | NA | NA | NA | NA | 1.2759 | 1.1966 | 1.5258 | 1.3435 |
| Acetic acid | 1.0206 | 1.0707 | 0.9652 | 0.9559 | 0.9634 | 1.2804 | 0.9236 | 1.3552 | 0.6811 | 0.7155 | 1.3025 | 0.8797 | 1.1437 | 1.0865 | 0.8528 | 1.0470 | 1.0807 |
| Acrylamide | NA | NA | NA | NA | 1.2148 | 0.7357 | 0.6831 | 1.3678 | 0.4830 | NA | NA | NA | NA | 1.0634 | 1.0591 | 1.2577 | 0.8645 |
| Adenine | 0.5004 | 0.3852 | 0.4873 | 0.3366 | 0.9763 | 1.1476 | 1.0855 | 1.0899 | 1.1058 | 0.7072 | 0.4921 | 0.4924 | 0.7622 | 0.8391 | 2.1236 | 2.3650 | 1.9630 |
| Adenosine | 0.1978 | 0.2018 | 0.2426 | 0.1429 | NA | NA | NA | NA | NA | 2.9121 | 0.7099 | 0.7728 | 2.5480 | NA | NA | NA | NA |
| Adenosine 3^,5^-diphosphate | 0.5882 | 0.1903 | 0.2750 | 0.1819 | 0.3843 | 0.1475 | 0.4098 | 0.5304 | 0.5274 | 0.9303 | 1.2849 | 1.8819 | 1.4303 | 1.3813 | 2.7214 | 1.5964 | 1.4971 |
| Adenosine monophosphate | 1.5804 | 1.5400 | 0.9957 | 1.4039 | 0.3349 | 0.5974 | 0.5700 | 0.5151 | 0.4174 | 0.7913 | 2.9822 | 1.4659 | 1.7260 | 0.5735 | 0.4433 | 0.5399 | 0.7476 |
| Adenosine triphosphate | NA | NA | NA | NA | 0.9705 | 1.8144 | 2.0080 | 1.5422 | 0.9980 | NA | NA | NA | NA | 0.4700 | 0.7918 | 0.5123 | 0.6042 |
| Adipic acid | 0.9279 | 0.9434 | 0.9332 | 0.7594 | 1.0325 | 0.1790 | 1.1636 | 1.0758 | 1.1894 | 1.3003 | 1.2797 | 1.1913 | 0.8754 | 0.7832 | 1.0092 | 0.9126 | 0.8786 |
| ADP | 0.5090 | 0.7713 | 0.4454 | 0.3481 | NA | NA | NA | NA | NA | 1.6419 | 0.7104 | 1.2718 | 1.7640 | NA | NA | NA | NA |
| Agmatine | 0.7822 | 0.4431 | 0.6018 | 0.6867 | 1.1049 | 1.0033 | 1.8429 | 0.8932 | 1.0057 | 1.0486 | 0.7171 | 0.9059 | 0.9517 | 1.1981 | 1.3929 | 0.9825 | 1.2910 |
| Aldosterone | 1.0234 | 1.0349 | 0.6077 | 0.9770 | 1.7054 | 1.3674 | 1.3351 | 1.2679 | 1.4893 | 0.6150 | 0.8958 | 0.7593 | 0.8645 | 0.8444 | 0.8461 | 0.7079 | 0.8828 |
| Allantoin | 0.9010 | 0.9101 | 0.9972 | 0.9284 | 1.1161 | 0.9199 | 1.1785 | 1.0015 | 0.9615 | 0.8668 | 0.7638 | 0.8868 | 0.7154 | 1.1673 | 1.2041 | 1.1779 | 1.1742 |
| All-trans-retinoic acid | NA | NA | NA | NA | 1.0060 | NA | 1.2390 | 1.1292 | 0.8737 | NA | NA | NA | NA | NA | 1.0095 | 0.8355 | 0.7133 |
| Androstenedione | 1.0699 | 0.7235 | 1.0906 | 1.2348 | 1.0487 | 1.0699 | 0.9615 | 1.0633 | 0.8766 | 1.0620 | 1.1648 | 0.9433 | 1.0479 | 0.9142 | 0.9666 | 1.0319 | 0.8009 |
| Androsterone | 0.7274 | 0.7071 | 0.6157 | 0.7263 | 1.2892 | 1.3110 | 1.2583 | 1.2648 | 1.2490 | 0.7106 | 0.7210 | 0.7239 | 0.7337 | 1.2467 | 1.2984 | 1.2780 | 1.2524 |
| Aniline | 0.5799 | 0.4869 | 0.6188 | 0.2965 | NA | NA | NA | NA | NA | 0.6581 | 2.0663 | 1.5765 | 1.8028 | NA | NA | NA | NA |
| Aspartame | 0.3853 | 0.9074 | 0.4581 | 0.3628 | 0.6829 | 0.6241 | 0.6694 | 0.8830 | 0.7676 | 0.4252 | 1.4114 | 1.0288 | 1.1524 | 0.6367 | 2.8133 | 0.9121 | 2.4981 |
| Benzenebutanoic acid | 1.0537 | 1.1925 | 1.1127 | 1.2142 | 0.9926 | NA | 0.7622 | 0.8658 | 0.9844 | 1.0464 | 1.1784 | 0.9843 | 0.8893 | 0.9441 | 0.9057 | 0.9480 | 0.9895 |
| Benzoic acid | 0.3456 | 0.4864 | 0.4038 | 0.2742 | 1.5579 | NA | 1.7031 | 2.2084 | 1.3997 | 0.5630 | 0.3357 | 0.4342 | 0.5669 | 0.0252 | 3.2998 | 0.8394 | 0.6551 |
| Biocytin | 1.3104 | 1.0916 | 1.1743 | 0.8683 | 0.9576 | 1.2826 | 0.6976 | 0.8048 | 1.0213 | 1.3434 | 0.9901 | 1.1092 | 1.0110 | 0.9408 | 1.0445 | 0.8128 | 0.9995 |
| Butanone | 0.8742 | 1.1437 | 1.0320 | 1.0780 | 1.0583 | 1.2395 | 0.9442 | 1.2159 | 1.0167 | 0.8084 | 1.0513 | 0.9195 | 0.8235 | 0.9016 | 1.1398 | 0.9760 | 1.0328 |
| Carnosine | 1.0012 | 1.0005 | 1.0076 | 0.8760 | NA | NA | NA | NA | NA | 1.1975 | 0.9125 | 1.0015 | 0.9816 | NA | NA | NA | NA |
| Chenodeoxycholic acid | NA | NA | NA | NA | 0.4914 | 0.4655 | 0.7276 | 0.7304 | 0.7045 | NA | NA | NA | NA | 1.2798 | 1.1322 | 1.5997 | 1.6626 |
| Cholic acid | 1.2341 | 1.4067 | 1.1655 | 1.1545 | 0.9555 | 0.8599 | 0.8805 | 1.0493 | 0.9372 | 1.2404 | 1.1081 | 1.1568 | 1.0935 | 0.7573 | 0.7666 | 0.6490 | 0.6485 |
| Cis-Aconitic acid | NA | NA | NA | NA | 0.2959 | NA | 0.7483 | 0.5899 | 0.4478 | NA | NA | NA | NA | 0.8022 | 1.6576 | 1.1477 | 2.0313 |
| Citramalic acid | 0.9414 | 0.7878 | 1.5059 | 1.7127 | NA | NA | NA | NA | NA | 0.5772 | 0.9840 | 0.7346 | 0.6730 | NA | NA | NA | NA |
| Cortexolone | 0.2667 | 0.2776 | 0.3085 | 0.3369 | 2.1799 | 2.4964 | 3.5224 | 1.6979 | 1.7028 | 0.1683 | 0.2727 | 0.2325 | 0.2044 | 0.9863 | 1.5027 | 1.2336 | 0.7195 |
| Cortisol | 1.0226 | 0.4871 | 0.2897 | 0.7713 | 1.2927 | 1.6657 | 1.8246 | 1.0715 | 1.2364 | 1.3700 | 0.9751 | 1.2690 | 1.1024 | 0.7463 | 0.8446 | 0.6255 | 0.9567 |
| Creatine | 0.3155 | 0.6755 | 0.3161 | 0.3654 | 0.3906 | 1.1561 | NA | 0.4438 | 0.3895 | 0.2704 | 0.9177 | 0.3217 | 0.7139 | 0.5747 | 3.0064 | 1.7395 | 3.0969 |
| Creatinine | NA | NA | NA | NA | 0.5414 | 0.9987 | 0.8877 | 0.5656 | 0.4685 | NA | NA | NA | NA | 0.6043 | 1.8652 | 0.9794 | 1.9051 |
| Cyclic AMP | 0.9749 | 1.3481 | 0.9296 | 0.9277 | 0.3751 | 0.5745 | 0.5951 | 0.4965 | 0.4800 | 1.8739 | 2.4182 | 2.3631 | 1.8009 | 0.4227 | 0.9216 | 0.5543 | 0.5598 |
| Cytidine | 1.1375 | 1.0900 | 1.0134 | 0.9067 | NA | NA | NA | NA | NA | 0.5901 | 1.2983 | 1.2135 | 0.8257 | NA | NA | NA | NA |
| Cytidine monophosphate | 0.6419 | 0.8227 | 0.6939 | 0.6871 | 1.0066 | 0.5200 | 1.1148 | 1.0119 | 0.8743 | 2.0167 | 0.9178 | 0.7893 | 2.0808 | 1.2864 | 1.0699 | 0.8117 | 1.0330 |
| Cytosine | 2.3799 | 2.1043 | 2.0592 | 1.9495 | 0.0505 | 0.0697 | 0.0611 | 0.0496 | 0.0429 | 1.2852 | 2.4061 | 2.3300 | 1.4856 | 0.0511 | 0.0770 | 0.0448 | 0.1300 |
| D-Alanine | 0.5260 | 0.1535 | 0.6043 | 0.1079 | 1.4771 | 0.7292 | 0.8135 | 1.5678 | 0.5357 | 0.4249 | 0.1165 | 0.5491 | 0.1290 | 2.3829 | 1.2018 | 2.5288 | 2.3502 |
| Dehydroepiandrosterone | NA | NA | NA | NA | 1.2848 | 1.0337 | 0.9064 | 1.3459 | 0.9766 | NA | NA | NA | NA | 0.8499 | 1.0925 | 0.9914 | 0.6112 |
| Deoxyadenosine monophosphate | NA | NA | NA | NA | 0.3577 | NA | 1.5142 | 0.9469 | 0.1557 | NA | NA | NA | NA | 1.2315 | 1.3657 | 0.3286 | NA |
| Deoxycorticosterone | NA | NA | NA | NA | 0.7322 | 0.6134 | 0.7754 | 0.8612 | 1.0927 | NA | NA | NA | NA | 1.0482 | 1.0917 | 1.2500 | 1.1246 |
| Deoxycytidine | NA | NA | NA | NA | 0.2188 | 0.2773 | 0.1779 | 0.3068 | 0.1428 | NA | NA | NA | NA | 0.9554 | 1.9352 | 2.0748 | 1.9533 |
| Deoxyguanosine | NA | NA | NA | NA | 0.7421 | 0.0345 | 1.0401 | 0.9620 | 0.7955 | NA | NA | NA | NA | 0.6251 | 1.3841 | 0.8363 | 1.6936 |
| Deoxyinosine | NA | NA | NA | NA | 0.3151 | 0.7684 | 0.7324 | 0.6469 | 0.4630 | NA | NA | NA | NA | 0.4807 | 2.1985 | 0.8102 | 1.6071 |
| Deoxyuridine | 1.0180 | 1.1678 | 0.9926 | 0.9354 | NA | NA | NA | NA | NA | 0.7962 | 1.1760 | 1.0536 | 0.9465 | NA | NA | NA | NA |
| DGTP | NA | NA | NA | NA | 0.1227 | NA | NA | 0.2357 | NA | NA | NA | NA | NA | 0.4035 | 1.6757 | 0.5317 | 1.8835 |
| Diacetyl | 0.5176 | 0.5530 | 0.5134 | 0.5116 | 1.4208 | 1.5962 | 1.3824 | 1.7762 | 1.4635 | 0.4293 | 0.4546 | 0.5297 | 0.4509 | 1.2775 | 1.6122 | 1.3706 | 1.4620 |
| Dimethylprotoporphyrin IX dimethyl ester | NA | NA | NA | NA | 1.0470 | 0.7838 | 0.7446 | 0.8861 | 0.9728 | NA | NA | NA | NA | 1.3222 | 0.9798 | 1.0273 | 1.0389 |
| DL-2-aminooctanoic acid | NA | NA | NA | NA | 0.4104 | 0.8783 | 1.0117 | 0.4935 | 0.4470 | NA | NA | NA | NA | 0.6653 | 2.6392 | 0.8404 | 1.3937 |
| DL-Homocystine | 0.9143 | 1.0403 | 1.1519 | 0.7725 | 0.5425 | 0.6077 | 1.4979 | 0.7357 | 0.8367 | 0.4211 | 0.9679 | 1.1415 | 0.6879 | 0.5802 | 1.9868 | 1.1498 | 1.3429 |
| Epitestosterone | NA | NA | NA | NA | 1.2074 | 1.0619 | 0.8107 | 1.2907 | 0.9757 | NA | NA | NA | NA | 0.9885 | 0.8006 | 0.9551 | 0.7462 |
| Ethanolamine | 0.6681 | 1.0441 | 0.7757 | 0.8707 | 1.0495 | 0.8905 | 0.8671 | 1.2892 | 1.0958 | 0.4744 | 1.6273 | 0.5001 | 0.6361 | 1.1191 | 1.8564 | 0.8928 | 1.5004 |
| FAD | NA | NA | NA | NA | 0.3527 | 0.6268 | 0.6243 | 0.6255 | 0.3645 | NA | NA | NA | NA | 0.5260 | 2.6553 | 0.7962 | 1.9743 |
| Flavin mononucleotide | 0.6156 | 0.4307 | 0.5258 | 0.5008 | 1.0341 | 0.9423 | 1.4398 | 1.1408 | 0.8516 | 0.7704 | 1.0394 | 1.1309 | 1.3435 | 0.9828 | 1.5914 | 1.0571 | 1.3023 |
| Gallic acid | NA | NA | NA | NA | 0.6875 | NA | 1.0271 | 1.0276 | 0.8271 | NA | NA | NA | NA | 0.7005 | 1.1810 | 1.4396 | 1.2207 |
| Gamma-Caprolactone | NA | NA | NA | NA | 1.1726 | 1.0573 | 0.9749 | 1.0768 | 0.9515 | NA | NA | NA | NA | 0.8350 | 1.0763 | 0.9338 | 0.9809 |
| Gamma-Glutamylcysteine | NA | NA | NA | NA | 1.0516 | 2.0453 | 2.2551 | 1.2387 | 1.4373 | NA | NA | NA | NA | 1.4299 | 0.1994 | 0.2015 | 0.2127 |
| Gamma-terpinene | 1.1865 | 0.9503 | 0.8659 | 0.9394 | 0.8034 | 1.0504 | 0.8149 | 1.2403 | 1.0757 | 1.1388 | 1.4376 | 1.1151 | 1.1046 | 0.5538 | 1.2929 | 0.9046 | 0.5442 |
| Glucaric acid | NA | NA | NA | NA | 0.5861 | NA | 0.8606 | NA | NA | NA | NA | NA | NA | 0.9200 | 1.1757 | 1.2978 | 1.1511 |
| Glucosamine | NA | NA | NA | NA | 0.7513 | 1.3988 | 1.2569 | 0.6895 | 0.9365 | NA | NA | NA | NA | 0.3638 | 2.5230 | 0.4732 | 0.9086 |
| Glucosamine 6-sulfate | 0.9506 | 0.8503 | 0.7917 | 0.6578 | 0.7497 | NA | 1.0063 | 1.0862 | 1.3546 | 0.9551 | 0.9985 | 1.0600 | 1.0958 | 1.5116 | 1.0567 | 1.1772 | 1.1290 |
| Glutaric acid | 0.7502 | 0.7793 | 0.7494 | 0.7073 | 0.5205 | 0.6542 | 1.0077 | 0.9142 | 1.0034 | 0.8268 | 0.9302 | 0.9742 | 0.9598 | 1.5610 | 1.4241 | 1.3235 | 1.5697 |
| Glutathione | 0.0327 | 0.0314 | 0.0185 | 0.0596 | 0.7652 | 2.3287 | 2.6304 | 1.6247 | 1.7470 | 0.0361 | 0.1282 | 0.0723 | 0.1606 | 1.4843 | 2.5837 | 1.6024 | 2.6005 |
| Glycerol | 1.3919 | 1.3047 | 1.4087 | 1.3445 | 0.8134 | 0.9240 | 0.7638 | 0.7132 | 0.5586 | 1.3246 | 1.3519 | 1.2778 | 1.3092 | 0.6765 | 0.5149 | 0.7812 | 0.7008 |
| Glycerophosphocholine | 0.1234 | 0.0822 | 0.0827 | 0.1069 | 2.5706 | 1.5740 | 1.7290 | 1.2156 | 1.7748 | 0.2578 | 0.0980 | 0.1425 | 0.1731 | 2.7565 | 0.5835 | 1.4532 | 1.6797 |
| Glycine | 1.1461 | 1.5221 | 1.3361 | 1.0855 | 0.3104 | NA | 0.7011 | 0.8276 | 0.5750 | 1.2280 | 0.7585 | 1.2646 | 1.4624 | 0.0009 | 0.0209 | 0.4534 | 0.5831 |
| Glycocholic acid | NA | NA | NA | NA | 0.9551 | 1.4246 | 1.2239 | 1.4630 | 0.9809 | NA | NA | NA | NA | 0.6691 | 1.0270 | 0.9697 | 0.5811 |
| Glycyl-L-leucine | 0.4297 | 0.8662 | 0.4559 | 0.4622 | 0.7563 | 0.3983 | 1.0739 | 1.2787 | 0.7340 | 0.3771 | 1.3492 | 1.0894 | 1.1756 | 0.8132 | 2.9204 | 0.6147 | 1.7911 |
| Glycylproline | NA | NA | NA | NA | 0.9253 | 1.2569 | 0.6373 | 0.7557 | 0.7468 | NA | NA | NA | NA | 0.9126 | 1.6973 | 0.6654 | 1.4984 |
| Guanidinosuccinic acid | NA | NA | NA | NA | 1.5882 | 0.1994 | 1.0460 | 1.5175 | 0.9533 | NA | NA | NA | NA | 0.5715 | 1.0227 | 0.5449 | 0.2097 |
| Guanine | 0.7659 | 0.9532 | 0.7992 | 0.7450 | 0.4098 | 0.8582 | 0.9689 | 0.7611 | 0.5995 | 0.5434 | 0.7579 | 0.8772 | 0.7011 | 0.8421 | 1.8697 | 0.8633 | 3.4270 |
| Guanosine | 1.1537 | 1.2618 | 1.1694 | 0.8685 | 0.0998 | 0.3502 | 0.3691 | 0.2487 | 0.1834 | 1.7522 | 2.0956 | 1.9096 | 2.0455 | 0.2642 | 1.0141 | 0.3453 | 1.4686 |
| Guanosine 5^-diphosphate | 0.4991 | 0.5730 | 0.4176 | 0.6725 | 0.6966 | 1.5871 | 2.1423 | 1.5983 | 0.9205 | 0.3597 | 0.8184 | 0.9044 | 0.6901 | 1.1111 | 1.9046 | 1.3326 | 1.2282 |
| Guanosine 5^-triphosphate | NA | NA | NA | NA | 1.1177 | 0.7763 | 1.0777 | 0.9650 | 0.8038 | NA | NA | NA | NA | 0.8816 | 0.9258 | 1.6147 | 0.4375 |
| Guanosine monophosphate | 0.1904 | 0.2788 | 0.2111 | 0.2248 | 0.2469 | 0.4548 | 0.3316 | 0.1906 | 0.1438 | 4.5930 | 0.7570 | 0.5217 | 7.0038 | 0.3308 | 0.2953 | 0.2222 | 1.2108 |
| Hippuric acid | 1.0829 | 1.3362 | 1.5399 | 1.2939 | NA | NA | NA | NA | NA | 0.6411 | 0.8916 | 0.6472 | 0.6242 | NA | NA | NA | NA |
| Homocitrulline | 1.1853 | 1.0084 | 0.9953 | 1.0774 | 0.8923 | 0.9067 | 0.8544 | 0.9081 | 0.8976 | 1.2210 | 1.1323 | 1.2688 | 0.9742 | 0.9341 | 0.8842 | 0.9107 | 0.9434 |
| Homogentisic acid | 0.7910 | 1.3274 | 1.0369 | 1.0959 | NA | NA | NA | NA | NA | 0.6483 | 1.0205 | 0.9909 | 1.2335 | NA | NA | NA | NA |
| Hydroxyisocaproic acid | 0.9692 | 0.8507 | 0.8887 | 0.8739 | 1.2295 | 1.1606 | 1.1414 | 1.2788 | 1.1263 | 0.7769 | 0.7077 | 0.9376 | 0.7890 | 1.1321 | 1.0224 | 1.0772 | 1.0857 |
| Hydroxyoctanoic acid | 1.0195 | 1.0489 | 1.0243 | 0.9572 | 1.1193 | 1.0945 | 1.0955 | 1.1678 | 1.0613 | 0.8127 | 0.8173 | 1.0495 | 0.8639 | 1.0458 | 0.9418 | 0.9133 | 1.0052 |
| Hyodeoxycholic acid | 0.8126 | 0.7764 | 1.2864 | 1.2293 | 1.0005 | 0.8626 | 0.9456 | 1.2289 | 0.9437 | 1.0171 | 1.1421 | 1.3251 | 1.1696 | 0.8001 | 0.9512 | 0.7831 | 0.6248 |
| Hypoxanthine | 0.0377 | 0.0374 | 0.0363 | 0.0324 | 0.7600 | 1.6390 | 1.8322 | 1.5190 | 1.3043 | 0.0237 | 0.0364 | 0.0433 | 0.0331 | 1.1708 | 3.3674 | 1.9877 | 3.3208 |
| Indole | 1.4862 | 1.4816 | 1.4889 | 1.0024 | 0.3621 | 0.3031 | 0.2688 | 0.3177 | 0.2481 | 1.6914 | 2.3234 | 1.7722 | 1.6527 | 0.5652 | 0.6057 | 0.5300 | 0.6504 |
| Indoleacetic acid | 0.3212 | 0.8202 | 0.8116 | 0.5964 | 1.0932 | 1.5913 | 1.3294 | 1.7406 | 1.1835 | 0.3175 | 0.8402 | 0.5550 | 0.5952 | 0.3429 | 2.3734 | 1.3620 | 1.6000 |
| Indoleacrylic acid | 0.8787 | 0.9071 | 0.9559 | 0.6575 | NA | NA | NA | NA | NA | 1.1275 | 1.4287 | 1.0847 | 1.0439 | NA | NA | NA | NA |
| Inosine | 0.6630 | 0.7207 | 0.6846 | 0.5071 | 0.3345 | 0.8498 | 0.9590 | 0.7447 | 0.6111 | 0.5054 | 0.9112 | 0.9254 | 0.7472 | 0.5829 | 3.0708 | 1.2003 | 2.7538 |
| Inosinic acid | NA | NA | NA | NA | NA | NA | 0.0166 | NA | NA | NA | NA | NA | NA | 0.0291 | 0.1999 | NA | 1.6870 |
| Isobutyric acid | 0.6770 | 0.8197 | 0.5969 | 0.8856 | 1.2457 | 1.3603 | 1.1811 | 1.5481 | 1.2808 | 0.8198 | 0.5772 | 0.8559 | 0.7321 | 1.0168 | 1.2918 | 1.1261 | 1.1721 |
| Isocaproic acid | 0.9308 | 1.0682 | 0.9972 | 1.0104 | 1.1493 | 1.3595 | 1.1246 | 1.2476 | 1.0715 | 0.7000 | 0.7660 | 0.8622 | 0.7897 | 1.1174 | 0.9762 | 1.0224 | 1.0956 |
| Isovalerylcarnitine | 0.0438 | 1.3030 | 0.0310 | 0.5150 | 0.3197 | 0.7398 | 0.6679 | 0.1205 | 0.7073 | 0.0617 | 2.2235 | 0.0703 | 0.9500 | 0.1236 | 4.9544 | 0.5235 | 2.3536 |
| Isovalerylglycine | NA | NA | NA | NA | 1.4711 | 1.0161 | 1.1129 | 1.7220 | 0.8015 | NA | NA | NA | NA | 0.6603 | 0.9263 | 0.7137 | 0.6041 |
| Kaempferol | NA | NA | NA | NA | 0.5486 | NA | 0.5875 | 0.6440 | 0.4469 | NA | NA | NA | NA | 0.5489 | 2.4256 | 0.4561 | 2.0434 |
| Ketoleucine | NA | NA | NA | NA | 1.3003 | 1.0600 | 0.9359 | 1.1659 | 0.8838 | NA | NA | NA | NA | 1.1501 | 0.6601 | 1.1008 | 0.9131 |
| L-Acetylcarnitine | 0.0311 | 0.0281 | 0.0307 | 0.0229 | 1.2944 | 1.3184 | 2.3332 | 1.7940 | 1.3369 | 0.0411 | 0.0262 | 0.0360 | 0.0306 | 1.0010 | 3.9434 | 2.0103 | 1.6806 |
| L-Arginine | 0.6952 | 0.7503 | 0.7211 | 0.5191 | 0.7857 | NA | 0.6697 | 0.7398 | 0.8534 | 1.1590 | 1.1746 | 1.2414 | 1.1689 | 1.0272 | 1.6657 | 1.2195 | 1.6387 |
| L-Aspartic acid | NA | NA | NA | NA | 0.7697 | NA | 0.8944 | 0.7834 | 0.8754 | NA | NA | NA | NA | 0.6488 | 1.8194 | 0.7869 | 1.3094 |
| L-Aspartyl-L-phenylalanine | 0.6192 | 0.8031 | 0.6904 | 0.6259 | 0.7754 | 0.6863 | 0.5274 | 0.6894 | 0.7537 | 0.7643 | 0.8556 | 0.9879 | 0.9150 | 0.6693 | 3.3648 | 0.6760 | 1.9125 |
| L-Carnitine | NA | NA | NA | NA | 0.3794 | 0.9276 | 0.9005 | 0.5923 | 0.5791 | NA | NA | NA | NA | 0.4270 | 2.8428 | 0.8080 | 1.4676 |
| L-Dopa | NA | NA | NA | NA | 0.5429 | 0.4992 | 0.4424 | 0.6014 | 0.6515 | NA | NA | NA | NA | 2.9550 | 1.0160 | 0.6779 | 0.6593 |
| Leucinic acid | 0.9294 | 0.8779 | 0.8930 | 0.9509 | 1.2533 | 1.3844 | 1.1023 | 1.2460 | 1.1149 | 0.7868 | 0.7365 | 0.9060 | 0.7923 | 1.1618 | 1.0135 | 1.0331 | 1.0705 |
| L-Glutamic acid | 0.3601 | 0.7386 | 0.4106 | 0.4791 | 0.9072 | 2.7807 | 2.4611 | 1.3917 | 1.2487 | 0.4603 | 1.1585 | 1.0286 | 1.0951 | 0.6747 | 1.5833 | 0.9704 | 0.8849 |
| L-Glutamine | 0.5762 | 1.1162 | 0.6342 | 0.6594 | 0.6068 | 0.6747 | 0.6210 | 0.6336 | 0.7103 | 0.7285 | 1.7076 | 1.8642 | 1.9202 | 0.3966 | 1.2863 | 0.9836 | 1.5121 |
| L-Histidine | NA | NA | NA | NA | 0.2210 | 0.2816 | 0.3837 | 0.2254 | 0.4379 | NA | NA | NA | NA | 0.1873 | 1.7511 | 1.5628 | 2.3337 |
| Linoleic acid | 0.6952 | 0.5805 | 0.5939 | 0.6294 | 1.0347 | 2.1902 | 2.3693 | 1.7760 | 1.4631 | 0.8909 | 0.8888 | 0.8605 | 0.9696 | 0.6296 | 1.1239 | 0.7980 | 0.5864 |
| L-Kynurenine | 0.7334 | 0.6024 | 0.7891 | 0.5263 | 0.3133 | 0.2561 | 0.2312 | 0.3505 | 0.2780 | 0.9110 | 3.2853 | 1.8968 | 2.3839 | 0.7411 | 1.1281 | 0.7963 | 1.5020 |
| L-Leucine | 0.8380 | 0.9055 | 0.7964 | 0.5422 | 0.9318 | NA | 1.1544 | 1.1845 | 0.6802 | 1.0037 | 0.8951 | 0.8160 | 0.9606 | 0.9391 | 2.0583 | 1.0199 | 1.3276 |
| L-Malic acid | 1.0637 | 1.3068 | 1.0948 | 1.1004 | NA | NA | NA | NA | NA | 0.6601 | 1.0542 | 1.1859 | 0.6243 | NA | NA | NA | NA |
| L-Methionine | 1.1181 | 0.6666 | 0.8090 | 0.3389 | NA | NA | NA | NA | NA | 1.1528 | 1.5198 | 1.4282 | 1.0133 | NA | NA | NA | NA |
| L-Norleucine | 0.7891 | 1.1480 | 1.0096 | 0.9697 | 0.9298 | 0.9164 | 1.0160 | 0.9757 | 0.7910 | 0.6505 | 0.8398 | 0.7506 | 0.6293 | 1.1600 | 1.5101 | 1.3172 | 1.5229 |
| L-Phenylalanine | 0.2130 | 0.1957 | 0.1692 | 0.1790 | 1.1648 | 0.9661 | 0.9772 | 1.0374 | 0.8009 | 0.1830 | 0.4108 | 0.2083 | 0.2366 | 2.5469 | 2.1929 | 2.2116 | 2.9257 |
| L-Proline | 1.0365 | 1.2967 | 0.8664 | 0.7795 | 0.6634 | 1.0319 | 0.8889 | 0.8188 | 0.8229 | 0.7656 | 1.7009 | 1.3114 | 1.5076 | 0.4403 | 1.5673 | 0.8629 | 1.0057 |
| L-Tryptophan | 1.6279 | 1.8566 | 1.8376 | 1.1274 | 0.0322 | NA | 0.0569 | 0.0397 | 0.0492 | 2.1333 | 2.7438 | 2.0699 | 2.0291 | 0.0260 | 0.1311 | 0.0377 | 0.1321 |
| L-Tyrosine | 0.9544 | 1.2009 | 1.2015 | 0.6748 | 0.1879 | 0.2823 | 0.3132 | 0.2158 | 0.2157 | 1.6357 | 0.9658 | 1.2167 | 1.5767 | 0.2288 | 3.0994 | 0.4467 | 2.1789 |
| L-Valine | 1.3669 | 1.1551 | 0.9359 | 0.6621 | 0.8368 | 0.5056 | 0.4809 | 0.4007 | 0.5620 | 1.6955 | 1.9888 | 1.0071 | 1.7329 | 0.9376 | 0.7842 | 0.6989 | 1.0373 |
| Maltotetraose | NA | NA | NA | NA | 0.8578 | NA | 0.7535 | 0.9758 | NA | NA | NA | NA | NA | 1.3337 | 0.6623 | NA | 1.1471 |
| Mannose 6-phosphate | NA | NA | NA | NA | 0.6618 | NA | 1.0492 | 0.8019 | 0.7469 | NA | NA | NA | NA | 0.5987 | 1.6433 | 0.7696 | 1.7792 |
| m-Coumaric acid | 0.3434 | 0.4678 | 0.3955 | 0.2836 | 1.4075 | 0.0059 | 1.6834 | 2.2282 | 1.5806 | 0.5024 | 0.3218 | 0.3483 | 0.4345 | 0.0092 | 3.1317 | 1.1181 | 1.7961 |
| Medroxyprogesterone | 0.9366 | 0.5698 | 0.4864 | 0.6867 | 0.9965 | 1.6929 | 2.2544 | 1.1555 | 1.0992 | 1.5118 | 0.9699 | 1.2156 | 1.1657 | 0.5784 | 0.7652 | 0.7238 | 0.7111 |
| Melatonin | 1.5134 | 1.4496 | 1.4790 | 1.4946 | 0.5694 | 0.4115 | 0.4215 | 0.5167 | 0.5124 | 1.6968 | 1.4067 | 1.7707 | 1.5173 | 0.5435 | 0.3897 | 0.4365 | 0.4975 |
| Mesoporphyrin IX | NA | NA | NA | NA | 0.9826 | 0.9353 | 0.9562 | 1.1046 | 1.1038 | NA | NA | NA | NA | 1.0616 | 0.9385 | 1.0024 | 0.8453 |
| Methylhippuric acid | 0.6703 | 0.6816 | 0.9074 | 0.5985 | NA | NA | NA | NA | NA | 1.0584 | 1.1598 | 1.4948 | 1.2892 | NA | NA | NA | NA |
| Methyl propenyl ketone | NA | NA | NA | NA | 1.1300 | 0.4511 | 0.3809 | 1.5828 | 0.8218 | NA | NA | NA | NA | 0.8277 | 0.9684 | 1.3361 | 1.0360 |
| Mevalonic acid | 1.9927 | 1.4978 | 1.6576 | 1.7277 | 0.6161 | 0.5018 | 0.2893 | 0.3944 | 0.4260 | 1.6074 | 1.6042 | 1.6232 | 1.3833 | 0.5695 | 0.2340 | 0.3569 | 0.2450 |
| Myristic acid | 0.5638 | 0.8309 | 0.7858 | 0.6833 | 1.3941 | 1.4843 | 1.3195 | 1.5348 | 1.4019 | 0.4620 | 0.8073 | 0.6391 | 0.6119 | 1.1514 | 1.4130 | 1.2695 | 0.9938 |
| N6-Acetyl-L-lysine | NA | NA | NA | NA | 0.5068 | 0.3637 | 0.5928 | 0.5048 | 0.5975 | NA | NA | NA | NA | 0.4037 | 4.3234 | 0.7183 | 0.8021 |
| N-Acetyl-D-glucosamine | NA | NA | NA | NA | 0.3558 | 0.2928 | 0.8170 | 0.3503 | 0.6360 | NA | NA | NA | NA | 0.6679 | 2.8389 | 0.9362 | 1.4633 |
| N-Acetylglutamic acid | 0.8690 | 1.1010 | 1.0344 | 0.8495 | NA | NA | NA | NA | NA | 1.0586 | 0.6473 | 0.8935 | 1.4519 | NA | NA | NA | NA |
| N-Acetyl-L-alanine | 0.9151 | 0.8726 | 0.7248 | 0.8251 | 1.3349 | 1.0030 | 1.4951 | 1.3400 | 1.2516 | 0.6023 | 0.9913 | 0.7540 | 0.8408 | 0.9313 | 1.1691 | 1.0081 | 0.9714 |
| N-Acetyl-L-phenylalanine | NA | NA | NA | NA | 0.3297 | 0.2015 | 0.1601 | 0.1848 | 0.2002 | NA | NA | NA | NA | 0.7633 | 2.0319 | 2.3568 | 1.9680 |
| N-Acetylneuraminic acid | NA | NA | NA | NA | NA | NA | 0.0880 | NA | 0.0919 | NA | NA | NA | NA | 1.1733 | 0.3690 | 1.0395 | 1.1774 |
| N-Acetylputrescine | NA | NA | NA | NA | 1.2913 | 1.1787 | 0.9677 | 1.2904 | 1.0221 | NA | NA | NA | NA | 0.7645 | 0.8128 | 0.9740 | 0.8213 |
| N-Acetylserotonin | 0.8220 | 1.0992 | 0.9019 | 1.0418 | 1.0261 | NA | 0.9654 | 1.6049 | 1.1751 | 0.8463 | 1.0371 | 0.8495 | 0.7368 | 1.4135 | 0.8839 | 0.9895 | 0.8375 |
| NADH | NA | NA | NA | NA | 0.2567 | NA | 0.3852 | 0.5832 | 0.2310 | NA | NA | NA | NA | 0.3361 | 3.0841 | 1.3949 | 1.8516 |
| Niacinamide | 0.8609 | 1.1850 | 0.9520 | 0.7376 | 0.7551 | 0.3495 | 0.4470 | 0.4967 | 0.7121 | 0.5207 | 0.9587 | 1.2263 | 0.6081 | 1.3684 | 1.7623 | 1.5843 | 1.4625 |
| Nicotinuric acid | 1.0002 | 1.0352 | 1.1447 | 1.0915 | 0.5568 | NA | 1.0669 | 1.2343 | 0.9819 | 0.8993 | 1.0313 | 1.0204 | 1.2156 | NA | 0.2673 | 0.5346 | 0.9875 |
| N-Methylnicotinamide | 0.9572 | 0.9315 | 0.9552 | 0.8857 | NA | NA | NA | NA | NA | 1.0689 | 1.0962 | 1.0482 | 1.0641 | NA | NA | NA | NA |
| Norepinephrine | NA | NA | NA | NA | 0.9418 | 0.1020 | 2.2277 | 1.6278 | 1.1708 | NA | NA | NA | NA | 0.1421 | 1.1018 | 0.5464 | 0.3706 |
| Normetanephrine | 0.2358 | 0.0444 | 0.2034 | 0.0533 | 3.0778 | 1.9637 | 1.9467 | 3.3915 | 1.5395 | 0.1449 | 0.0394 | 0.2122 | 0.0509 | 1.0656 | 1.5097 | 1.0183 | 0.7484 |
| Nutriacholic acid | 0.6224 | 0.8744 | 1.3901 | 2.1622 | 0.4322 | 0.4891 | 0.4080 | 0.5081 | 0.4368 | 0.6320 | 0.8098 | 1.0126 | 0.8803 | 1.9068 | 0.5809 | 1.3544 | 1.5936 |
| o-Cresol | NA | NA | NA | NA | 1.0909 | 0.0279 | 1.1144 | 1.5867 | 1.1010 | NA | NA | NA | NA | 0.0291 | 2.0342 | 0.8988 | 0.2145 |
| Oleanolic acid | 1.0428 | 0.7987 | 0.6359 | 0.8043 | 1.3205 | 0.2984 | 1.1524 | 1.2066 | 2.2265 | 0.4612 | 0.6136 | 0.4806 | 0.5952 | 0.8845 | 0.7676 | 1.2998 | 1.1039 |
| o-Tyrosine | 0.5437 | 0.5950 | 0.4439 | 0.4653 | 1.0607 | 0.5687 | 0.5949 | 0.9376 | 0.8119 | 0.4827 | 0.9981 | 0.8204 | 0.7441 | 2.5835 | 1.9104 | 1.6388 | 2.1673 |
| Oxalacetic acid | 0.9249 | 0.7034 | 1.6775 | 1.7237 | NA | NA | NA | NA | NA | 0.5742 | 0.9549 | 0.6898 | 0.6661 | NA | NA | NA | NA |
| Oxypurinol | 0.4993 | 0.9330 | 0.6394 | 0.5228 | 0.2188 | 0.2815 | 0.2308 | 0.3217 | 0.1678 | 0.4435 | 2.3201 | 1.9649 | 1.0341 | 0.2161 | 4.9485 | 0.3329 | 1.3320 |
| Pantothenic acid | 0.3116 | 0.0479 | 0.3153 | 0.0653 | 2.8787 | 1.6164 | 1.6401 | 2.7060 | 1.3857 | 0.1751 | 0.0534 | 0.2725 | 0.0508 | 1.4609 | 1.5927 | 1.4274 | 1.1448 |
| PC(16:0/16:0) | 1.2594 | 1.9115 | 1.2115 | 1.3435 | 0.5944 | 0.2357 | 0.0448 | 0.1360 | 0.4224 | 1.2175 | 1.3966 | 1.6593 | 1.7191 | 0.8193 | 0.7521 | 0.3705 | 0.6518 |
| PC(18:1(9Z)/18:1(9Z)) | NA | NA | NA | NA | 0.7614 | 3.7519 | 2.4152 | 0.1313 | 0.1124 | NA | NA | NA | NA | 0.5434 | 1.4004 | 1.3386 | 0.8215 |
| Perillic acid | 1.0021 | 1.1297 | 0.7747 | 0.9075 | 0.9870 | 0.9999 | 1.0367 | 1.0300 | 1.0402 | 1.0058 | 0.9805 | 1.0010 | 1.0232 | 1.0137 | 1.0630 | 1.0367 | 0.9722 |
| Phenol | 1.9432 | 1.6397 | 1.9034 | 1.4361 | 0.1148 | 0.0961 | 0.1171 | 0.1235 | 0.1193 | 2.6663 | 1.8309 | 2.1637 | 1.8318 | 0.1230 | 0.1234 | 0.1139 | 0.1201 |
| Phenylacetaldehyde | 0.8845 | 0.9518 | 0.9854 | 0.9426 | 1.0539 | 1.0459 | 1.0744 | 1.0911 | 1.0439 | 0.8928 | 0.9252 | 0.9533 | 0.9091 | 1.0493 | 1.0637 | 1.0516 | 1.0966 |
| Phenylacetic acid | 1.7653 | 2.0484 | 1.6083 | 1.6501 | 0.2833 | 0.2678 | 0.2702 | 0.3628 | 0.2428 | 1.1412 | 2.6689 | 1.3957 | 1.9957 | 0.3094 | 0.2667 | 0.3035 | 0.2727 |
| Phenylpropanolamine | 0.8855 | 0.7895 | 0.8778 | 0.7648 | 1.1899 | 1.2156 | 0.8797 | 1.1291 | 1.1125 | 1.0847 | 0.7637 | 0.9754 | 1.0145 | 1.0894 | 0.9974 | 1.0940 | 1.1984 |
| Phosphoric acid | 0.8553 | 1.4529 | 1.0739 | 1.2459 | 0.8695 | 1.1597 | 0.8532 | 1.2021 | 0.9287 | 0.5602 | 0.9535 | 0.6454 | 0.7271 | 1.1350 | 1.2585 | 1.4032 | 0.8988 |
| Phosphorylcholine | 0.8181 | 1.3659 | 1.3403 | 1.1403 | 0.9944 | 1.1213 | 1.0989 | 1.2311 | 0.9693 | 0.6958 | 1.0354 | 0.7285 | 0.8734 | 0.8785 | 0.9926 | 1.0128 | 0.9223 |
| Picolinic acid | 0.2077 | 0.4220 | 0.2401 | 0.3577 | 0.2213 | 0.0885 | 0.5399 | 0.2995 | 0.3668 | 1.3212 | 2.2631 | 1.3668 | 2.0899 | 0.5913 | 3.8983 | 0.8041 | 1.3743 |
| Pipecolic acid | 1.1116 | 1.1865 | 1.3074 | 0.9253 | NA | NA | NA | NA | NA | 0.6912 | 0.8897 | 0.8096 | 1.0978 | NA | NA | NA | NA |
| p-Octopamine | 0.9342 | 0.8550 | 0.8662 | 0.8353 | 1.5665 | 0.9531 | 0.9473 | 0.9356 | 1.1264 | 1.0230 | 0.6812 | 0.8148 | 0.8531 | 1.1702 | 1.1058 | 1.0216 | 1.1472 |
| Pregnenolone | 0.8979 | 1.1071 | 1.0137 | 1.0654 | 1.0624 | 1.0993 | 0.9994 | 1.1679 | 1.0487 | 0.7944 | 1.0304 | 0.9768 | 0.7991 | 0.9101 | 1.1021 | 1.0131 | 1.0351 |
| Pregnenolone sulfate | NA | NA | NA | NA | 0.9524 | 1.1290 | 1.0917 | 1.3334 | 1.0627 | NA | NA | NA | NA | 0.9891 | 1.0321 | 0.6725 | 0.8259 |
| Propanal | 0.7136 | 0.8653 | 0.9019 | 0.9139 | 1.0001 | 1.2141 | 1.1746 | 1.3097 | 1.1898 | 0.7304 | 0.6304 | 0.8611 | 0.5971 | 1.0422 | 1.3520 | 1.2621 | 1.1995 |
| Propionic acid | 1.9150 | 1.9653 | 2.0866 | 1.8957 | 0.0185 | 0.0151 | 0.0114 | 0.0231 | 0.0160 | 2.2340 | 1.9031 | 2.1465 | 1.9717 | 0.0201 | 0.0033 | 0.0036 | 0.0037 |
| Pyridine | 0.2276 | 0.3209 | 0.2611 | 0.2416 | 0.8483 | 2.4998 | 1.9988 | 1.3435 | 1.1060 | 0.2645 | 0.6044 | 0.4686 | 0.4092 | 0.9135 | 2.4135 | 1.2608 | 2.7712 |
| Pyridoxal 5^-phosphate | NA | NA | NA | NA | 0.7885 | 0.2947 | 1.1926 | 1.3872 | 1.0015 | NA | NA | NA | NA | 0.6640 | 1.5503 | 0.8380 | 0.6901 |
| Pyridoxamine | NA | NA | NA | NA | 1.8543 | 0.1896 | 0.1347 | 0.1600 | 1.9468 | NA | NA | NA | NA | 0.1904 | 1.9441 | 0.2559 | 0.1804 |
| Pyrocatechol | NA | NA | NA | NA | 0.9625 | 0.8036 | 0.7452 | 1.3339 | 0.9791 | NA | NA | NA | NA | 1.0535 | 1.0066 | 1.0702 | 0.8417 |
| Pyroglutamic acid | 1.5612 | 1.6962 | 1.4615 | 1.3764 | 0.8517 | 0.4674 | 0.3188 | 0.7977 | 0.5519 | 1.4566 | 1.0315 | 1.6283 | 1.6610 | 0.7105 | 0.2733 | 0.5848 | 0.2018 |
| Pyruvaldehyde | 1.0358 | 1.0465 | 0.9771 | 1.0814 | 1.1108 | 1.0867 | 0.9677 | 1.0929 | 1.0390 | 0.8653 | 0.9882 | 1.0022 | 0.8998 | 0.8675 | 1.0530 | 0.9565 | 1.0100 |
| Quinone | NA | NA | NA | NA | 0.9898 | 0.8052 | 0.7458 | 1.2218 | 1.1787 | NA | NA | NA | NA | 0.8123 | 1.0245 | 1.0039 | 1.0157 |
| Ribothymidine | 0.9575 | 1.5307 | 1.8123 | 0.9373 | NA | NA | NA | NA | NA | 0.4105 | 1.3321 | 0.6022 | 0.8361 | NA | NA | NA | NA |
| Saccharopine | 1.5481 | 0.7108 | 1.0970 | 1.2883 | 0.4969 | 0.3909 | 0.4422 | 0.4214 | 0.4686 | 1.2680 | 2.2324 | 1.6202 | 2.6400 | 0.4684 | 0.5586 | 0.4507 | 0.5428 |
| S-Adenosylhomocysteine | 1.1284 | 1.2859 | 1.1523 | 0.8171 | 0.1792 | NA | 0.6854 | 0.3896 | 0.3218 | 1.4225 | 1.6678 | 2.1760 | 2.3065 | 0.2074 | 0.6522 | 0.3697 | 0.9480 |
| Sebacic acid | 0.9370 | 0.8623 | 0.7899 | 0.9506 | 1.3044 | 1.3639 | 1.1802 | 1.2308 | 1.1080 | 0.8561 | 0.8018 | 0.9741 | 0.8717 | 1.0519 | 1.1711 | 0.8706 | 0.9840 |
| Senecioic acid | NA | NA | NA | NA | 1.2956 | 1.0498 | 1.0785 | 1.6707 | 1.2146 | NA | NA | NA | NA | 0.5085 | 0.8878 | 0.8790 | 0.4538 |
| Spermine | 0.0218 | 0.0237 | 0.0176 | 0.0235 | 1.5350 | 3.9896 | 2.6956 | 2.3210 | 1.6983 | 0.0279 | 0.0363 | 0.0322 | 0.0327 | 1.0926 | 1.0727 | 1.3615 | 2.5073 |
| Sphinganine | 0.1042 | 0.0851 | 0.1031 | 0.0789 | 0.1785 | 0.7725 | 0.8175 | 6.6543 | 2.1073 | 1.6625 | 0.1372 | 0.5802 | 1.2131 | 0.1232 | 0.9376 | 0.5470 | 0.1107 |
| Sphingosine | 0.7169 | 0.9302 | 0.8405 | 0.7777 | 0.7489 | 0.7427 | 0.7709 | 0.9081 | 0.8708 | 0.5401 | 1.0689 | 1.3987 | 1.0104 | 1.0604 | 1.3070 | 1.6893 | 1.3346 |
| Stearic acid | 1.7430 | 1.0318 | 1.2178 | 1.2772 | 0.8982 | 0.7437 | 0.7707 | 0.8043 | 0.7680 | 0.9855 | 1.1643 | 1.0718 | 0.9574 | 0.8267 | 0.7070 | 0.9360 | 0.8928 |
| Succinic acid | 0.7352 | 0.7569 | 0.7004 | 0.5557 | NA | NA | NA | NA | NA | 2.0471 | 0.7243 | 0.8407 | 1.5098 | NA | NA | NA | NA |
| Succinylacetone | 1.1081 | 1.3870 | 1.6556 | 1.5811 | 0.8371 | 0.9741 | 0.8355 | 0.6880 | 0.7086 | 1.1430 | 0.8486 | 1.0617 | 1.0269 | 0.6921 | 0.8651 | 0.8279 | 0.7751 |
| Taurodeoxycholic acid | 1.0792 | 1.0329 | 0.9498 | 0.9446 | NA | NA | NA | NA | NA | 1.1258 | 0.8936 | 0.9733 | 1.0083 | NA | NA | NA | NA |
| Thymidine | 0.9040 | 1.5358 | 0.9929 | 0.8233 | 0.9308 | 1.9491 | 1.2594 | 1.6600 | 1.1838 | 0.3115 | 0.9964 | 0.3704 | 1.0047 | 1.1340 | 1.1302 | 0.8632 | 0.9441 |
| Tiglylglycine | 1.1775 | 0.9024 | 1.1431 | 1.1189 | 0.6056 | 0.4214 | 0.6391 | 0.6255 | 0.6647 | 1.4653 | 1.6834 | 1.5798 | 1.8880 | 0.5830 | 0.7490 | 0.5688 | 0.7274 |
| Trans-Cinnamic acid | NA | NA | NA | NA | 0.8059 | 0.4721 | 0.4791 | 0.6640 | 0.5018 | NA | NA | NA | NA | 1.3562 | 1.3732 | 1.2951 | 1.5256 |
| Traumatic acid | 0.8398 | 0.8871 | 1.0066 | 0.7827 | 0.8788 | 0.7308 | 0.8263 | 0.9622 | 0.7468 | 0.7338 | 0.8834 | 0.8737 | 0.9373 | 1.4912 | 0.6799 | 1.7644 | 1.5877 |
| Triethylamine | 1.2392 | 0.7549 | 0.6575 | 0.3689 | NA | NA | NA | NA | NA | 1.0682 | 0.9932 | 1.3495 | 1.4259 | NA | NA | NA | NA |
| Trimethylamine | 0.1669 | 0.1135 | 0.1362 | 0.1119 | 0.9452 | 1.5761 | 2.3069 | 1.4875 | 1.1595 | 0.1493 | 0.4262 | 0.2034 | 0.2628 | 0.6989 | 3.9270 | 1.7926 | 1.8231 |
| Tryptophanol | 1.3067 | 1.4335 | 1.4029 | 1.3683 | 0.2703 | 0.5825 | 0.2505 | 0.2787 | 0.3448 | 1.9296 | 1.4220 | 1.5980 | 1.6299 | 0.2684 | 0.3792 | 0.6856 | 0.3494 |
| Uracil | 1.9923 | 2.3871 | 2.3060 | 1.7685 | 0.0118 | 0.5063 | 0.0757 | 0.0266 | 0.0205 | 0.7543 | 1.6026 | 2.5403 | 1.6875 | 0.0204 | 0.1056 | 0.0263 | 0.0449 |
| Urea | NA | NA | NA | NA | 0.9504 | 1.2023 | 0.8710 | 1.6200 | 1.0154 | NA | NA | NA | NA | 0.8695 | 0.8081 | 0.9737 | 0.8505 |
| Ureidopropionic acid | 0.6820 | 0.9751 | 1.0410 | 0.9039 | 0.2780 | 0.4031 | 0.3474 | 0.2181 | 0.3061 | 1.2357 | 1.5909 | 1.6910 | 1.9231 | 0.1659 | 2.0370 | 0.2992 | 1.4189 |
| Uric acid | NA | NA | NA | NA | 1.0651 | NA | 1.0150 | 1.3381 | NA | NA | NA | NA | NA | 0.2240 | 1.0918 | NA | 0.4981 |
| Uridine | 1.9502 | 1.3991 | 1.0138 | 1.5170 | 0.1483 | 0.8883 | 0.9093 | 0.6520 | 0.4860 | 1.2595 | 1.3775 | 1.3165 | 1.4948 | 0.7475 | 0.5636 | 0.5885 | 0.7732 |
| Urocanic acid | 2.1536 | 2.1212 | 1.8634 | 1.7052 | 0.0082 | NA | 0.0050 | 0.0071 | 0.0047 | 2.2063 | 1.9066 | 2.1124 | 2.1180 | 0.0135 | 0.0123 | 0.0101 | 0.0115 |
| Vaccenic acid | 0.9093 | 1.0292 | 1.5104 | 1.3957 | NA | NA | NA | NA | NA | 0.4783 | 1.4405 | 0.8031 | 0.6147 | NA | NA | NA | NA |
| Xanthine | 0.4353 | 0.5832 | 0.4605 | 0.3885 | 0.3234 | 0.0193 | 0.7363 | 1.0922 | 0.8930 | 0.2256 | 0.2567 | 0.3977 | 0.1989 | 1.3058 | 5.8010 | 1.0082 | 4.0059 |
| Xanthosine | 0.0718 | 0.1341 | 0.1015 | 0.0713 | 0.0589 | 0.1171 | 0.1293 | 0.0986 | 0.0852 | 0.0642 | 0.3363 | 0.2486 | 0.1356 | 0.3200 | 7.8245 | 0.5269 | 5.3043 |
| Xanthurenic acid | 1.0234 | 0.8737 | 1.1090 | 1.0528 | NA | NA | NA | NA | NA | 0.9365 | 1.0251 | 0.8642 | 0.9901 | NA | NA | NA | NA |
Factors:
| F1 | Sample source:Breast cancer cells | Treatment:12 BT combination | Treatment duration:12h |
| F2 | Sample source:Breast cancer cells | Treatment:12 BT control | Treatment duration:12h |
| F3 | Sample source:Breast cancer cells | Treatment:12 BT Q11 | Treatment duration:12h |
| F4 | Sample source:Breast cancer cells | Treatment:12 BT Q13 | Treatment duration:12h |
| F5 | Sample source:Breast cancer cells | Treatment:12 MDA combination | Treatment duration:12h |
| F6 | Sample source:Breast cancer cells | Treatment:12 MDA control | Treatment duration:12h |
| F7 | Sample source:Breast cancer cells | Treatment:12 MDA Control | Treatment duration:12h |
| F8 | Sample source:Breast cancer cells | Treatment:12 MDA Q11 | Treatment duration:12h |
| F9 | Sample source:Breast cancer cells | Treatment:12 MDA Q13 | Treatment duration:12h |
| F10 | Sample source:Breast cancer cells | Treatment:48 BT combination | Treatment duration:48h |
| F11 | Sample source:Breast cancer cells | Treatment:48 BT control | Treatment duration:48h |
| F12 | Sample source:Breast cancer cells | Treatment:48 BT Q11 | Treatment duration:48h |
| F13 | Sample source:Breast cancer cells | Treatment:48 BT Q13 | Treatment duration:48h |
| F14 | Sample source:Breast cancer cells | Treatment:48 MDA combination | Treatment duration:48h |
| F15 | Sample source:Breast cancer cells | Treatment:48 MDA control | Treatment duration:48h |
| F16 | Sample source:Breast cancer cells | Treatment:48 MDA Q11 | Treatment duration:48h |
| F17 | Sample source:Breast cancer cells | Treatment:48 MDA Q13 | Treatment duration:48h |
