Data for (Study ST000396)
(Analysis AN000633)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 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 | F52 | F53 | F54 | F55 | F56 | F57 | F58 | F59 | F60 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,2,4-benzenetriol | 1.3813 | 1.2755 | 0.8456 | 1.2130 | 1.3492 | 0.7307 | 0.8124 | 0.4166 | 1.5704 | 1.1309 | 0.7275 | 1.4785 | 0.9502 | 2.4741 | 0.9230 | 0.7358 | 0.6538 | 1.0063 | 0.9967 | 0.9579 | 1.3755 | 1.9870 | 1.3364 | 1.0263 | 0.6025 | 0.6858 | 1.0230 | 0.9818 | 0.7243 | 0.9550 | 0.5448 | 1.2948 | 0.8365 | 0.9814 | 1.1206 | 1.2592 | 0.5801 | 1.0552 | 0.6192 | 1.0223 | 1.0384 | 0.8717 | 0.7563 | 0.9845 | 0.7435 | 0.6858 | 1.5319 | 0.8412 | 1.2542 | 0.9486 | 1.0435 | 0.9828 | 0.5384 | 1.2547 | 1.0993 | 1.3749 | 0.7243 | 0.9887 | 1.9421 | 0.6217 |
1,5-anhydroglucitol | 0.9747 | 1.4752 | 0.8063 | 1.0488 | 0.7503 | 0.9973 | 0.8871 | 1.1444 | 1.3197 | 1.0924 | 1.5044 | 0.7370 | 0.6974 | 1.5185 | 1.2541 | 0.9630 | 0.9007 | 1.1058 | 0.9777 | 0.9679 | 1.5023 | 1.1805 | 0.4219 | 1.0173 | 0.8512 | 0.8890 | 1.0647 | 0.9133 | 1.0627 | 1.4484 | 0.9875 | 0.9259 | 0.7734 | 0.9500 | 0.9530 | 1.0667 | 1.0747 | 0.9771 | 1.0803 | 1.2110 | 1.2772 | 1.0439 | 1.0950 | 0.8635 | 0.5823 | 0.9603 | 1.7670 | 1.0441 | 1.1603 | 1.2034 | 1.1912 | 0.8724 | 1.7733 | 1.1921 | 0.8341 | 1.2519 | 0.9539 | 1.4345 | 0.7049 | 0.3882 |
2,3-dihydroxybutanoic acid NIST | 0.9960 | 1.1564 | 0.8470 | 0.9893 | 1.0829 | 1.3169 | 0.6451 | 1.7179 | 1.0628 | 0.9545 | 0.8690 | 1.1520 | 1.1899 | 1.0294 | 1.2701 | 1.1056 | 1.0662 | 0.8890 | 1.1564 | 1.0620 | 0.9439 | 1.2968 | 1.0695 | 0.8653 | 0.9826 | 1.4505 | 0.8864 | 0.9024 | 0.9091 | 0.4947 | 0.8957 | 0.9024 | 1.6377 | 1.0713 | 0.9882 | 0.8378 | 1.0628 | 0.9496 | 0.9505 | 0.4713 | 1.0227 | 1.1130 | 1.2968 | 0.9198 | 0.8913 | 1.0762 | 1.0361 | 1.0320 | 0.5860 | 0.9715 | 0.9519 | 0.9652 | 1.1431 | 1.1598 | 1.1782 | 1.1330 | 1.0829 | 1.4305 | 1.8516 | 1.4973 |
2-deoxyerythritol | 0.3200 | 0.2740 | 0.9398 | 0.2906 | 0.4891 | 0.2517 | 0.5582 | 0.3274 | 6.5198 | 0.3900 | 2.4609 | 0.3189 | 0.4054 | 0.3694 | 0.4681 | 0.4043 | 0.4837 | 0.3357 | 0.3422 | 0.9895 | 0.5431 | 0.3464 | 0.3365 | 0.7762 | 0.3591 | 0.3599 | 0.5196 | 2.5019 | 0.3546 | 6.3454 | 0.3480 | 0.3492 | 4.1940 | 1.3637 | 0.3507 | 1.0120 | 0.4212 | 1.7266 | 0.3672 | 7.0862 | 0.4039 | 0.3887 | 0.4698 | 1.0275 | 0.4072 | 0.3464 | 0.3916 | 1.3741 | 2.4011 | 0.4996 | 0.3878 | 0.7485 | 0.4788 | 0.4800 | 0.7803 | 0.4829 | 0.5018 | 0.4763 | 1.0506 | 0.4319 |
2-deoxytetronic acid | 0.8237 | 0.9866 | 0.8153 | 0.7679 | 0.7477 | 0.6329 | 0.8966 | 0.7943 | 1.5265 | 0.9438 | 1.0029 | 1.3000 | 0.9866 | 0.6515 | 1.4706 | 0.9571 | 0.7539 | 0.7353 | 1.0487 | 1.1505 | 1.1622 | 0.6857 | 1.3605 | 0.8984 | 0.7322 | 1.1898 | 0.8743 | 1.0254 | 0.8315 | 1.0269 | 0.8873 | 0.9657 | 1.0828 | 1.0015 | 1.0699 | 1.0487 | 1.4908 | 0.9129 | 0.8433 | 1.0145 | 1.0425 | 0.9215 | 1.2007 | 0.8535 | 1.3351 | 1.1945 | 0.9463 | 1.0083 | 0.9773 | 1.1407 | 1.0170 | 1.0435 | 1.1138 | 1.0812 | 1.2402 | 1.1045 | 1.8243 | 1.3519 | 1.1200 | 0.9339 |
2-hydroxybutanoic acid | 2.5393 | 1.1357 | 0.8903 | 0.8572 | 0.4857 | 0.4304 | 0.5868 | 0.2455 | 0.9467 | 0.9394 | 0.7613 | 1.1415 | 1.5436 | 1.1033 | 2.3402 | 0.9545 | 0.9244 | 0.2723 | 0.7372 | 1.1945 | 0.8373 | 1.4324 | 0.7469 | 1.0565 | 1.1978 | 0.5984 | 0.6976 | 0.6699 | 0.6846 | 1.4058 | 1.5753 | 0.9195 | 1.3994 | 0.9692 | 0.8007 | 1.4093 | 1.7837 | 1.0814 | 0.8160 | 0.7197 | 0.3583 | 0.8678 | 1.0774 | 0.8091 | 1.8580 | 2.7656 | 1.0563 | 0.8685 | 0.3654 | 0.8331 | 1.1315 | 1.0280 | 1.4832 | 1.0447 | 1.0824 | 0.9730 | 0.5067 | 1.5145 | 0.4277 | 0.6751 |
2-hydroxyhippuric acid | 0.7986 | 0.7327 | 1.0943 | 0.8109 | 0.7492 | 0.5680 | 0.8829 | 0.8397 | 1.0620 | 0.9750 | 1.1299 | 0.7986 | 0.9138 | 0.6257 | 1.3172 | 1.0744 | 0.8603 | 1.6218 | 1.0826 | 1.0342 | 1.2102 | 0.8068 | 0.6792 | 0.8594 | 0.6915 | 0.7739 | 0.8019 | 0.8877 | 0.5763 | 0.5351 | 0.9138 | 1.0044 | 0.8315 | 1.1192 | 1.1045 | 0.7812 | 0.7080 | 1.0265 | 1.4358 | 0.5804 | 1.2102 | 0.7121 | 0.8644 | 0.6957 | 0.8919 | 0.9961 | 0.4693 | 1.0001 | 1.2212 | 1.1196 | 1.6778 | 1.1302 | 1.1526 | 0.8768 | 0.8624 | 0.9426 | 0.9879 | 1.0229 | 2.8073 | 0.8644 |
2-hydroxyvaleric acid | 2.0189 | 0.4058 | 0.6370 | 0.9410 | 0.3650 | 0.4158 | 0.3966 | 0.1955 | 0.5680 | 0.7478 | 1.4634 | 0.5941 | 0.9562 | 0.5694 | 1.2264 | 1.5172 | 1.9689 | 0.4675 | 0.3392 | 1.5525 | 1.1302 | 0.4844 | 0.7898 | 0.7808 | 0.4538 | 0.5528 | 1.4996 | 0.9285 | 2.0157 | 0.5719 | 2.9676 | 0.5412 | 0.9027 | 0.7542 | 1.1362 | 1.2094 | 2.3807 | 0.9797 | 2.7532 | 0.4799 | 0.4461 | 0.2512 | 1.2965 | 0.4720 | 2.6052 | 0.5535 | 0.5316 | 1.0261 | 0.4236 | 0.4197 | 1.3842 | 1.1745 | 4.3497 | 0.6552 | 0.6383 | 0.7696 | 0.7505 | 0.8151 | 0.5739 | 1.0220 |
2-ketoisocaproic acid | 1.7406 | 0.8716 | 0.8707 | 0.9660 | 0.4265 | 0.6969 | 0.5664 | 0.5924 | 0.8333 | 0.9688 | 1.0119 | 1.1985 | 1.3814 | 1.0352 | 2.2607 | 1.0144 | 0.9643 | 0.2178 | 0.6815 | 1.3072 | 0.9955 | 1.6737 | 0.7312 | 1.0237 | 1.1794 | 1.0971 | 0.9241 | 0.8133 | 0.5344 | 1.2075 | 1.6255 | 0.6968 | 0.7671 | 0.9263 | 1.0709 | 1.2080 | 1.3473 | 1.1980 | 0.8834 | 0.9678 | 0.7298 | 0.7600 | 0.7821 | 0.8043 | 1.5173 | 1.6093 | 0.9476 | 1.0128 | 0.5967 | 0.6643 | 1.0756 | 0.8972 | 1.6863 | 0.8056 | 1.0025 | 1.0569 | 0.8757 | 1.3510 | 0.8380 | 0.5551 |
3-aminoisobutyric acid | 1.0164 | 1.1616 | 0.9275 | 0.6990 | 0.7426 | 0.9376 | 0.8484 | 0.6970 | 1.3358 | 1.2155 | 1.0081 | 0.9901 | 1.1180 | 1.3026 | 0.7882 | 1.3732 | 0.9459 | 1.0288 | 1.1823 | 1.0330 | 1.4254 | 1.1118 | 0.9459 | 0.9320 | 1.0828 | 0.9085 | 0.8944 | 0.8090 | 0.6804 | 0.6389 | 0.6887 | 0.8629 | 1.1657 | 1.0174 | 0.9652 | 1.0924 | 0.7301 | 0.9220 | 0.6887 | 0.6430 | 1.5018 | 0.9293 | 0.8297 | 0.9251 | 0.8020 | 1.1284 | 1.0288 | 1.0166 | 1.0593 | 0.8629 | 1.1201 | 0.9993 | 0.8629 | 0.8484 | 1.1325 | 0.7426 | 0.9127 | 0.9459 | 1.8668 | 1.3441 |
3-hydroxybutanoic acid | 1.1097 | 0.6742 | 1.0863 | 0.4333 | 0.1804 | 0.7620 | 0.2844 | 0.1468 | 0.3364 | 1.2985 | 0.9891 | 0.7496 | 2.1183 | 0.2548 | 1.0775 | 0.4964 | 0.5673 | 0.1362 | 0.3026 | 1.0818 | 0.8775 | 1.0010 | 0.8932 | 1.5772 | 0.6432 | 0.3276 | 0.2526 | 0.5515 | 0.4313 | 5.1267 | 1.7762 | 0.2517 | 1.7811 | 1.2391 | 1.8431 | 1.8116 | 0.6482 | 0.8819 | 1.2167 | 0.5678 | 0.2098 | 1.3048 | 0.2993 | 0.3655 | 0.9883 | 0.9254 | 0.3714 | 0.7510 | 0.2758 | 0.2321 | 1.1844 | 1.0201 | 3.2059 | 0.8407 | 1.1913 | 0.8001 | 0.5753 | 1.0553 | 0.3908 | 1.2461 |
3-hydroxypropionic acid | 1.0243 | 0.9788 | 0.8936 | 0.9524 | 0.8798 | 0.6882 | 0.7990 | 0.8554 | 1.3976 | 0.8072 | 1.0324 | 1.0416 | 1.1314 | 0.8343 | 2.6994 | 1.0038 | 0.9447 | 0.9739 | 0.8084 | 1.2260 | 0.8911 | 0.7759 | 0.8522 | 0.8906 | 1.0023 | 1.1533 | 0.9622 | 1.0859 | 1.0973 | 1.1931 | 0.8473 | 0.8700 | 1.2694 | 1.0147 | 0.9453 | 1.0529 | 1.3586 | 1.0351 | 0.9256 | 1.2109 | 1.0145 | 0.9812 | 1.3732 | 0.9350 | 1.1487 | 1.1330 | 0.6363 | 1.0650 | 0.8062 | 0.9940 | 0.8564 | 0.8989 | 1.0372 | 1.0133 | 1.0880 | 1.0178 | 1.8975 | 1.2860 | 0.8197 | 0.7889 |
4-hydroxyproline | 2.6099 | 1.3175 | 0.8173 | 0.7544 | 0.8359 | 0.5860 | 0.6208 | 0.7170 | 0.5559 | 0.9994 | 0.8849 | 0.9542 | 0.9170 | 0.7206 | 2.8502 | 0.9884 | 0.5736 | 1.8142 | 0.6944 | 1.1249 | 1.2413 | 1.5773 | 0.6988 | 0.9907 | 0.6362 | 1.0469 | 0.6853 | 0.7712 | 1.1139 | 1.1476 | 1.5212 | 1.4587 | 0.7754 | 1.1679 | 0.9205 | 0.7016 | 0.7489 | 0.8695 | 1.0616 | 1.5129 | 1.0962 | 0.5871 | 0.8406 | 0.7647 | 0.9168 | 0.9315 | 1.5155 | 1.1256 | 1.2907 | 0.8377 | 0.7570 | 0.9637 | 1.2458 | 0.9103 | 1.3136 | 0.9822 | 0.9092 | 1.1589 | 1.5778 | 0.8972 |
5-hydroxymethyl-2-furoic acid NIST | 0.6084 | 0.5228 | 0.8019 | 0.8090 | 0.7346 | 0.5453 | 1.0185 | 0.7842 | 1.1943 | 0.7649 | 0.7617 | 0.4357 | 0.9363 | 0.7391 | 1.0411 | 0.8504 | 0.6828 | 0.9780 | 0.6783 | 0.8867 | 1.0699 | 0.5994 | 0.7301 | 0.7942 | 0.5408 | 2.4630 | 1.3466 | 0.9337 | 0.9284 | 0.6805 | 0.8338 | 0.9757 | 0.9577 | 0.9020 | 6.0677 | 0.8082 | 1.2236 | 0.8295 | 0.7031 | 0.6873 | 1.0906 | 0.8090 | 0.7436 | 0.7274 | 0.8187 | 0.6445 | 0.9014 | 1.0074 | 0.9074 | 1.1763 | 0.8951 | 1.2026 | 0.7346 | 0.9115 | 0.6129 | 1.4895 | 1.3475 | 0.8901 | 0.9329 | 0.5769 |
5-methoxytryptamine | 0.8195 | 0.2843 | 1.0347 | 1.1741 | 1.3067 | 0.2492 | 1.6509 | 0.3674 | 1.3227 | 0.8991 | 0.6933 | 1.2311 | 0.4161 | 1.6326 | 0.5463 | 0.9811 | 1.0495 | 1.8306 | 1.5383 | 1.0369 | 1.2977 | 2.7444 | 0.8338 | 1.0209 | 0.3754 | 0.3243 | 0.6275 | 1.1517 | 0.3259 | 2.8019 | 0.4696 | 0.5727 | 0.9233 | 0.8661 | 0.8072 | 1.5236 | 1.3067 | 1.1583 | 0.4799 | 1.4792 | 1.7859 | 0.6725 | 0.6773 | 0.7821 | 0.8179 | 0.4792 | 1.9169 | 1.0234 | 0.9286 | 1.2918 | 0.8447 | 1.0030 | 0.3355 | 1.0207 | 1.0120 | 2.5319 | 0.2716 | 1.4872 | 0.3898 | 0.4185 |
acetophenone NIST | 1.1519 | 0.5675 | 1.3712 | 0.9096 | 1.0558 | 0.6751 | 1.2679 | 0.3770 | 1.6246 | 0.9733 | 0.9341 | 0.9078 | 0.5788 | 1.6804 | 0.3064 | 0.8369 | 0.9006 | 0.7178 | 0.6078 | 1.6252 | 1.5114 | 1.6451 | 0.9125 | 0.7579 | 0.6735 | 0.3618 | 0.5902 | 0.8480 | 0.2415 | 0.7704 | 2.1568 | 1.0585 | 0.5667 | 0.8527 | 0.8528 | 1.5681 | 0.3409 | 0.7620 | 0.9552 | 0.7059 | 0.7433 | 0.8312 | 2.5782 | 1.0808 | 0.5007 | 0.6735 | 1.4718 | 1.0685 | 0.7296 | 0.8005 | 0.8995 | 1.2004 | 0.3614 | 1.2993 | 0.7626 | 1.4275 | 0.4000 | 1.1534 | 0.8000 | 0.4887 |
adipic acid | 1.0801 | 0.8906 | 1.0049 | 0.8644 | 1.0715 | 0.7536 | 0.3982 | 0.2505 | 1.6806 | 0.7882 | 0.9366 | 0.8935 | 1.0110 | 0.9077 | 1.2439 | 1.0433 | 0.7097 | 0.6701 | 0.9366 | 0.8097 | 0.9103 | 0.9249 | 0.8489 | 2.7592 | 0.9313 | 0.7322 | 0.9566 | 1.1176 | 1.1218 | 1.3124 | 1.1069 | 0.8821 | 0.6797 | 0.8647 | 0.9256 | 0.8868 | 1.1968 | 0.7881 | 0.6440 | 1.2963 | 0.9698 | 0.7386 | 1.1989 | 0.8568 | 0.8114 | 0.7365 | 0.8371 | 0.8210 | 1.2060 | 0.4917 | 0.9022 | 0.8570 | 1.3274 | 1.0405 | 1.1122 | 0.7686 | 1.3060 | 1.0148 | 0.7686 | 1.0598 |
alanine | 0.9401 | 0.7453 | 0.8844 | 1.2946 | 0.8115 | 0.5649 | 0.9046 | 0.8741 | 1.5503 | 0.8941 | 0.7651 | 1.1040 | 1.0173 | 1.4577 | 1.1966 | 1.0801 | 0.8291 | 0.6815 | 0.7748 | 1.0372 | 0.8638 | 1.4656 | 0.8734 | 0.9848 | 0.8744 | 1.0464 | 0.9519 | 1.1252 | 0.6464 | 0.7161 | 0.9016 | 1.0232 | 1.0027 | 0.9778 | 0.9372 | 0.9742 | 0.8529 | 1.0201 | 0.6603 | 1.0046 | 1.2701 | 1.1650 | 1.5913 | 0.9988 | 1.2552 | 0.9854 | 1.4395 | 1.0816 | 0.9625 | 0.9431 | 1.0798 | 0.9953 | 1.0013 | 1.1779 | 1.2162 | 1.1732 | 1.3858 | 1.1368 | 0.6616 | 1.1089 |
aminomalonic acid | 1.8620 | 0.0816 | 0.5175 | 0.8756 | 0.1271 | 0.0826 | 0.1093 | 0.3110 | 0.2110 | 0.7216 | 2.2513 | 0.2072 | 2.5087 | 0.2249 | 5.8600 | 2.7603 | 1.9523 | 0.2259 | 0.0998 | 1.1851 | 0.8173 | 0.1737 | 0.2105 | 0.9742 | 0.1276 | 0.6140 | 1.3018 | 0.5747 | 2.6601 | 0.2179 | 5.1450 | 0.1183 | 0.4575 | 0.5838 | 0.6640 | 0.9170 | 2.3916 | 0.8403 | 1.6375 | 0.1918 | 0.6941 | 3.2619 | 4.8883 | 0.7597 | 0.7575 | 0.1164 | 0.0911 | 1.0786 | 0.1902 | 0.1383 | 0.7687 | 0.8709 | 5.1599 | 1.4884 | 0.5154 | 0.1543 | 3.8816 | 1.5757 | 0.1403 | 5.3027 |
arachidonic acid isomer | 1.0723 | 1.1150 | 0.9032 | 1.3113 | 0.9869 | 0.6264 | 0.6474 | 0.7733 | 1.1195 | 1.2390 | 0.9318 | 0.6774 | 1.3484 | 1.3203 | 0.8093 | 1.3185 | 1.2469 | 0.6115 | 1.0079 | 1.0357 | 1.2310 | 0.5021 | 0.7891 | 0.9119 | 1.4844 | 0.9157 | 0.8426 | 0.8285 | 0.9352 | 0.7823 | 1.3428 | 1.0633 | 1.1263 | 0.9847 | 1.0883 | 0.9871 | 1.0993 | 0.9392 | 1.0230 | 0.5920 | 0.9127 | 0.8505 | 1.2739 | 0.9833 | 1.3508 | 1.0506 | 1.0761 | 0.8448 | 0.9282 | 1.4267 | 0.9882 | 0.9405 | 1.2784 | 1.1364 | 1.0689 | 0.7696 | 0.7793 | 0.8745 | 1.1840 | 0.9696 |
asparagine | 1.0195 | 1.0918 | 0.9164 | 1.2862 | 1.0005 | 0.5751 | 0.8287 | 1.1988 | 1.0553 | 1.0043 | 0.8184 | 1.2186 | 1.1002 | 1.1184 | 1.1496 | 0.9677 | 0.7804 | 1.0075 | 0.7300 | 1.0831 | 1.1067 | 1.5505 | 1.2472 | 0.9017 | 0.6831 | 0.9567 | 0.8077 | 1.0365 | 1.0444 | 0.9141 | 1.2657 | 1.2109 | 1.1440 | 1.0635 | 0.9573 | 1.0544 | 0.9888 | 0.9950 | 0.8333 | 0.9648 | 1.1077 | 1.0408 | 1.0005 | 0.9241 | 1.0530 | 0.6491 | 1.0108 | 0.9515 | 0.8685 | 1.0445 | 0.9443 | 0.9648 | 1.0904 | 1.1128 | 1.0935 | 1.1011 | 0.8876 | 1.1693 | 1.1593 | 1.0668 |
aspartic acid | 1.3309 | 1.1553 | 0.8710 | 1.2386 | 1.0067 | 1.5290 | 0.6461 | 0.7929 | 1.2512 | 1.0526 | 1.0043 | 1.2009 | 1.4152 | 0.8465 | 0.5957 | 0.9572 | 1.1757 | 0.8485 | 1.0592 | 1.0101 | 0.9873 | 1.7645 | 2.3056 | 0.9433 | 0.9567 | 0.8944 | 1.0512 | 1.0726 | 0.7016 | 2.1077 | 0.9705 | 0.8459 | 0.9409 | 1.0992 | 0.9085 | 1.3463 | 1.3595 | 0.8862 | 0.7873 | 0.6724 | 0.9049 | 0.7056 | 1.0015 | 0.9283 | 1.0885 | 1.0296 | 1.1320 | 0.8164 | 1.1444 | 1.8364 | 0.6946 | 0.8647 | 0.9350 | 0.9418 | 0.7438 | 0.6360 | 1.2954 | 1.0542 | 1.1446 | 0.7419 |
benzoic acid | 0.9780 | 0.9071 | 0.9251 | 1.0797 | 0.9410 | 0.8741 | 0.7947 | 0.8824 | 1.1136 | 0.9530 | 1.1764 | 0.8081 | 1.1551 | 0.9420 | 1.3441 | 1.0991 | 1.0774 | 1.0928 | 0.8365 | 1.0025 | 1.1443 | 0.9324 | 0.7062 | 0.9712 | 1.0484 | 1.1474 | 1.0229 | 1.0413 | 1.7444 | 0.9658 | 1.6705 | 0.9180 | 1.0616 | 0.9932 | 1.0713 | 0.9763 | 1.2130 | 1.0126 | 1.0282 | 0.8502 | 1.1363 | 1.0323 | 1.2276 | 0.8498 | 0.9229 | 1.0541 | 0.8095 | 1.0224 | 0.8289 | 0.8243 | 0.9829 | 1.0100 | 1.5574 | 0.9830 | 0.9815 | 0.7778 | 1.5941 | 1.0550 | 0.7391 | 1.0690 |
benzylalcohol | 0.6588 | 0.6744 | 1.0820 | 1.2039 | 0.5537 | 0.0321 | 1.4959 | 1.8919 | 3.1485 | 0.5640 | 0.4502 | 1.0377 | 0.9725 | 0.1744 | 1.7088 | 1.0576 | 0.1743 | 1.0807 | 1.9125 | 0.7688 | 0.7256 | 1.2219 | 0.4137 | 0.8806 | 0.7675 | 2.9104 | 1.1911 | 0.8765 | 0.5753 | 1.5501 | 2.0042 | 0.9845 | 0.1500 | 1.0988 | 0.7699 | 0.5691 | 1.1461 | 0.8844 | 1.1119 | 0.7870 | 0.5877 | 0.7919 | 1.9907 | 0.5815 | 0.2521 | 1.6565 | 2.4132 | 0.7599 | 0.8639 | 1.3033 | 1.5337 | 1.3825 | 1.7627 | 1.2130 | 1.1356 | 2.2959 | 0.0534 | 2.2949 | 2.9802 | 1.2444 |
beta-alanine | 3.7778 | 0.6918 | 0.5693 | 0.7715 | 0.3483 | 0.5004 | 0.4777 | 0.7678 | 0.3508 | 0.8761 | 1.0671 | 0.7760 | 0.8770 | 0.7433 | 1.8545 | 0.9204 | 0.4514 | 0.3999 | 0.4232 | 1.1554 | 0.7595 | 1.6975 | 0.8463 | 1.0416 | 0.6255 | 1.0413 | 0.8380 | 0.4133 | 0.5029 | 0.6108 | 1.6166 | 0.6746 | 0.4256 | 1.2030 | 0.6995 | 0.8768 | 1.0229 | 0.8850 | 0.7634 | 0.6488 | 0.4317 | 0.7408 | 0.6525 | 0.5230 | 1.1170 | 0.5863 | 0.8046 | 1.6109 | 0.9731 | 0.8144 | 0.7305 | 0.9886 | 1.2216 | 0.9168 | 1.4823 | 0.6047 | 0.6820 | 4.2071 | 0.9003 | 0.5176 |
beta-mannosylglycerate | 0.5898 | 1.5410 | 0.7992 | 0.9548 | 0.8358 | 1.0527 | 0.9491 | 1.1713 | 1.4955 | 1.2029 | 1.5955 | 1.0371 | 0.7421 | 1.5464 | 1.3347 | 0.9697 | 0.6499 | 1.1107 | 1.0734 | 1.0240 | 1.5897 | 1.2709 | 0.7221 | 1.0525 | 0.8729 | 0.9129 | 0.5903 | 0.8967 | 0.0455 | 1.5810 | 0.0689 | 0.8907 | 0.8807 | 1.0149 | 0.7725 | 1.1326 | 1.1005 | 0.8995 | 0.6470 | 1.3361 | 1.7012 | 1.1141 | 1.2315 | 0.9415 | 0.4881 | 0.9457 | 1.8191 | 1.0225 | 1.2665 | 1.3023 | 1.0027 | 0.8936 | 0.0311 | 1.3100 | 0.9178 | 1.3097 | 1.0495 | 1.4957 | 0.7788 | 0.4399 |
butane-2,3-diol (NIST) | 0.8321 | 0.7413 | 0.7868 | 0.8634 | 0.9774 | 0.8459 | 0.7498 | NA | NA | 1.1426 | NA | 0.9510 | 1.0213 | 0.7752 | NA | 0.8059 | 0.7721 | 0.8505 | 0.5829 | 1.0417 | 1.2889 | 0.6368 | 0.7160 | 0.7784 | 1.1251 | NA | 0.6798 | 0.9897 | NA | NA | NA | 0.8309 | 0.4830 | 1.1774 | 0.9259 | 1.8590 | NA | 0.8559 | 1.1220 | NA | 0.5691 | 0.3399 | NA | 0.6409 | 0.9044 | 1.2181 | 1.4842 | 1.4336 | 1.2343 | 0.7157 | 0.9394 | 0.7542 | NA | 1.4714 | 1.3417 | 1.2066 | NA | 0.8957 | 1.1951 | NA |
capric acid | 1.0249 | 1.7515 | 1.1884 | 1.2553 | 1.3832 | 1.2920 | 1.0623 | 0.1183 | 0.9802 | 1.1670 | 0.4355 | 1.2865 | 1.2057 | 1.1314 | 0.1989 | 0.9719 | 0.2777 | 0.7484 | 1.3279 | 1.0582 | 1.3353 | 1.7109 | 0.7963 | 1.0402 | 1.9607 | 0.6743 | 0.8371 | 0.7553 | 0.3754 | 0.2477 | 0.3783 | 1.7464 | 0.8293 | 1.0607 | 0.9657 | 1.2540 | 0.2901 | 0.7826 | 1.0186 | 0.1809 | 0.6919 | 0.9099 | 0.2653 | 1.0399 | 0.5513 | 1.9663 | 0.9702 | 0.7303 | 1.0706 | 0.7409 | 1.3126 | 0.9868 | 0.4442 | 1.3367 | 0.9539 | 0.7119 | 0.2183 | 1.2782 | 1.1073 | 1.0602 |
cholesterol | 0.7825 | 0.9069 | 0.9707 | 0.9049 | 0.9781 | 0.8049 | 0.8055 | 0.5616 | 0.8308 | 0.9329 | 0.7946 | 0.7605 | 1.2735 | 0.9977 | 1.0306 | 0.8524 | 0.8640 | 0.7028 | 0.9851 | 1.4316 | 1.5719 | 0.7534 | 0.9776 | 0.9531 | 1.2927 | 0.7439 | 0.8392 | 0.8331 | 0.8844 | 0.7111 | 0.8757 | 1.0580 | 1.0892 | 1.0315 | 0.9349 | 0.9219 | 1.4064 | 0.9425 | 0.8825 | 0.6167 | 1.0213 | 1.2935 | 1.0931 | 0.8604 | 1.4630 | 0.8402 | 0.8762 | 1.0478 | 0.7487 | 0.7534 | 0.8869 | 1.0721 | 0.7537 | 1.1137 | 1.1480 | 0.9356 | 0.9399 | 1.0287 | 0.8985 | 0.8025 |
citramalic acid | 0.9724 | 0.7197 | 0.9486 | 1.2145 | 0.6940 | 0.8225 | 0.8632 | 0.8996 | 2.4932 | 0.9645 | 0.9746 | 1.1423 | 1.0131 | 1.1738 | 0.9082 | 0.9244 | 0.8353 | 0.7454 | 1.0667 | 1.0592 | 1.0127 | 0.8225 | 0.7411 | 1.0015 | 1.2637 | 1.0281 | 0.9322 | 1.2523 | 0.5740 | 0.8396 | 0.7625 | 0.9896 | 2.3775 | 0.9613 | 0.8753 | 1.1233 | 0.8482 | 0.9992 | 0.7180 | 1.3494 | 0.7454 | 1.1266 | 0.8482 | 0.9236 | 0.7197 | 0.7882 | 1.0452 | 1.0318 | 0.8739 | 0.7968 | 1.1669 | 1.0833 | 0.6854 | 0.9253 | 0.8718 | 0.6940 | 1.0281 | 1.3237 | 0.7625 | 0.9424 |
citric acid | 1.0494 | 0.0144 | 1.2148 | 1.2590 | 1.0586 | 1.0887 | 0.5804 | 1.6888 | 0.0351 | 1.5487 | 0.4557 | 1.7540 | 1.1601 | 1.6474 | 0.0226 | 0.8746 | 0.6619 | 0.9906 | 1.6616 | 0.3455 | 1.6355 | 1.9099 | 1.7658 | 1.0272 | 0.7661 | 0.6497 | 1.4901 | 0.8447 | 1.6131 | 0.0133 | 0.0146 | 1.3388 | 0.0162 | 0.8953 | 1.1535 | 1.2295 | 1.6565 | 0.6879 | 0.8760 | 0.0166 | 1.4908 | 2.1303 | 0.0178 | 0.7460 | 1.2823 | 2.3890 | 2.3585 | 0.7765 | 1.0402 | 0.0173 | 1.8343 | 1.1259 | 0.0173 | 1.4192 | 1.1246 | 0.9872 | 0.0216 | 1.9972 | 0.0182 | 0.0218 |
citrulline | 1.1565 | 1.1907 | 0.9639 | 1.1655 | 1.1723 | 1.1857 | 0.9094 | 1.3822 | 0.1740 | 1.2219 | 1.0749 | 1.1332 | 0.9438 | 1.4363 | 0.1782 | 0.7335 | 0.7261 | 1.3672 | 1.1898 | 0.8799 | 1.5215 | 1.6328 | 1.2452 | 1.0133 | 1.4538 | 0.5171 | 0.9597 | 1.0144 | 0.3747 | 0.0749 | 0.6112 | 1.4392 | 0.6003 | 1.0250 | 1.2079 | 1.0978 | 0.5366 | 0.9474 | 0.6971 | 0.0845 | 1.4862 | 0.6865 | 1.2564 | 0.8810 | 0.8426 | 0.8776 | 1.6469 | 0.8855 | 0.8845 | 0.8981 | 0.9683 | 1.0956 | 0.9375 | 1.3530 | 1.2947 | 0.8289 | 0.1174 | 1.2814 | 2.0366 | 0.1798 |
conduritol-beta-epoxide | 0.3857 | 0.4586 | 0.8595 | 1.0783 | 0.8881 | 0.2253 | 1.4693 | 1.1664 | 1.1240 | 0.5607 | 0.6548 | 0.7944 | 0.4871 | 0.5355 | 0.8483 | 0.8051 | 0.3764 | 0.5328 | 0.7025 | 1.1991 | 1.1516 | 0.7370 | 0.6296 | 0.8250 | 0.7648 | 0.6270 | 1.1150 | 1.0816 | 1.6409 | 2.9823 | 0.9543 | 1.2678 | 0.6296 | 0.9805 | 0.6031 | 0.7423 | 0.4533 | 0.9686 | 0.7152 | 2.2016 | 0.2996 | 1.2088 | 0.5647 | 1.0779 | 1.1417 | 0.2121 | 1.3255 | 1.0837 | 0.4153 | 0.9756 | 1.0493 | 1.5536 | 1.4050 | 0.6581 | 1.1518 | 0.5355 | 0.3817 | 2.5144 | 7.4492 | 0.9941 |
creatinine | 1.3109 | 0.4411 | 0.6851 | 1.1240 | 0.7889 | 0.2308 | 0.5663 | 1.2922 | 0.9258 | 0.8279 | 0.5597 | 1.7315 | 0.8580 | 0.8480 | 2.9903 | 0.7774 | 0.5609 | 0.5834 | 0.5292 | 1.1749 | 0.7209 | 1.3905 | 1.5220 | 1.0146 | 0.3567 | 1.3334 | 0.6700 | 0.8283 | 0.9007 | 0.7236 | 0.6755 | 1.5408 | 1.2738 | 1.0766 | 1.0956 | 1.0695 | 0.3475 | 0.7961 | 0.5712 | 0.8467 | 1.0215 | 0.7231 | 0.7390 | 0.9121 | 1.5658 | 0.6187 | 0.8490 | 0.9341 | 1.1186 | 1.2975 | 0.8730 | 0.8763 | 0.8777 | 1.2325 | 1.9482 | 2.0384 | 1.2068 | 3.3822 | 1.1448 | 1.0793 |
cysteine | 0.6973 | 0.9260 | 0.8945 | 1.1567 | 0.4852 | 0.7528 | 0.7095 | 0.7843 | 0.7986 | 0.6983 | 0.7841 | 1.1405 | 1.1418 | 0.7847 | 2.0964 | 1.0190 | 0.5239 | 0.2712 | 0.9045 | 1.2603 | 1.0525 | 1.9933 | 0.8150 | 0.7907 | 0.7731 | 1.3268 | 0.5817 | 1.1949 | 1.2816 | 1.0750 | 1.6476 | 1.4989 | 0.6206 | 0.9919 | 0.9212 | 1.0554 | 0.7575 | 1.0307 | 1.1706 | 1.4110 | 0.5373 | 0.9724 | 1.1246 | 0.8464 | 1.1573 | 1.4560 | 1.7180 | 1.0538 | 0.4550 | 1.5369 | 1.1881 | 0.9118 | 0.8504 | 1.4342 | 0.7775 | 1.3985 | 0.9029 | 1.7693 | 1.4934 | 0.9080 |
cysteine-glycine | 0.9945 | 0.5914 | 0.8486 | 1.1009 | 0.8310 | 0.6899 | 0.8467 | 0.9856 | 1.0169 | 0.7632 | 0.7403 | 1.1200 | 1.1267 | 0.8601 | 1.1872 | 0.9941 | 0.7302 | 0.5555 | 0.7885 | 1.2516 | 0.8933 | 1.2589 | 1.0169 | 1.1120 | 0.7504 | 1.0438 | 0.7947 | 0.7691 | 1.1469 | 0.5510 | 0.8377 | 1.1424 | 0.7593 | 1.0010 | 0.7915 | 0.9582 | 1.0976 | 1.2169 | 0.9497 | 0.7862 | 0.5869 | 1.0371 | 1.1334 | 0.9287 | 0.9214 | 1.0797 | 1.3395 | 1.0229 | 0.5242 | 1.1633 | 1.0519 | 1.1031 | 1.2141 | 1.0886 | 1.1569 | 1.1469 | 0.8377 | 1.3977 | 0.9721 | 1.4918 |
cystine | 1.1752 | 1.9336 | 0.7748 | 1.1689 | 0.9105 | 1.3269 | 0.8441 | 0.4838 | 0.8651 | 0.8448 | 0.7920 | 0.9144 | 0.8250 | 0.7654 | 1.5812 | 0.8029 | 0.5468 | 0.5241 | 0.8101 | 1.3683 | 1.1566 | 1.8993 | 1.1474 | 0.8905 | 0.6937 | 0.9297 | 0.6022 | 1.1421 | 0.8235 | 1.4140 | 0.8683 | 1.2946 | 0.8280 | 0.9926 | 0.9895 | 0.9241 | 0.9121 | 1.0462 | 1.2225 | 1.1666 | 1.3246 | 1.1613 | 1.1157 | 0.8156 | 1.0883 | 0.9784 | 1.8023 | 0.9462 | 0.4494 | 1.1420 | 1.3350 | 1.0087 | 0.9264 | 1.2219 | 0.9527 | 1.1707 | 1.3939 | 1.4865 | 1.9802 | 0.9840 |
dihydro-3-coumaric acid | 0.7077 | 0.4315 | 0.8180 | 1.0111 | 0.6109 | 0.5565 | 0.4859 | 0.5162 | 0.6734 | 1.0242 | 0.8004 | 0.5565 | 1.6150 | 0.5807 | 2.1090 | 1.1755 | 0.6916 | 0.5726 | 0.6432 | 1.4368 | 0.9388 | 0.6210 | 1.0061 | 0.9606 | 0.6351 | 2.2804 | 0.7041 | 0.9510 | 0.5807 | 0.4113 | 1.2702 | 0.5414 | 0.6654 | 1.1357 | 0.9799 | 0.9199 | 2.1473 | 0.7195 | 0.8049 | 0.5303 | 0.5242 | 2.3973 | 2.4396 | 0.7105 | 1.0417 | 1.8630 | 0.7500 | 1.0031 | 1.2460 | 0.7594 | 1.1646 | 0.8587 | 1.0041 | 0.9234 | 0.7914 | 0.8811 | 3.5244 | 1.8136 | 0.7258 | 1.2057 |
elaidic acid | 0.7436 | 0.9791 | 1.5634 | 1.2809 | 0.5418 | 2.0466 | 0.1446 | 0.2536 | 0.1453 | 1.2691 | 0.6498 | 0.9209 | 1.8339 | 1.0285 | 0.9079 | 1.3181 | 0.3984 | 0.3599 | 1.1425 | 0.9907 | 1.1575 | 0.5917 | 1.0238 | 0.6616 | 2.0058 | 0.4440 | 0.5985 | 0.8326 | 1.7503 | 0.0541 | 2.8282 | 0.8994 | 0.0798 | 1.1398 | 1.2617 | 1.2363 | 0.8486 | 0.9402 | 1.6808 | 0.0798 | 0.2146 | 1.2432 | 0.3457 | 0.7172 | 1.4920 | 1.1311 | 0.3894 | 0.6153 | 0.3020 | 0.7139 | 1.5590 | 1.0713 | 1.9469 | 1.2909 | 0.5850 | 0.3381 | 0.6249 | 0.7146 | 1.6230 | 1.6772 |
erythritol | 0.6194 | 0.7079 | 0.9674 | 0.7099 | 1.2591 | 0.8441 | 0.8101 | 1.0292 | 1.7595 | 0.8318 | 0.6667 | 1.1587 | 0.5634 | 0.9052 | 0.2380 | 0.8734 | 0.7282 | 0.6794 | 0.8919 | 1.2062 | 1.0089 | 1.0394 | 1.3049 | 0.7287 | 1.1177 | 2.0320 | 0.5500 | 0.8702 | 0.2827 | 1.1045 | 0.2400 | 1.3735 | 1.0974 | 1.0897 | 0.9648 | 0.9687 | 0.2370 | 0.9984 | 0.6778 | 2.0036 | 1.1920 | 0.8197 | 1.5927 | 1.0297 | 1.5771 | 0.9743 | 1.4483 | 1.0485 | 1.0130 | 1.3737 | 0.9418 | 1.1184 | 0.1892 | 1.0257 | 1.6557 | 1.1543 | 0.3621 | 1.6608 | 1.0191 | 0.2034 |
ethanolamine | 0.2369 | 2.6333 | 1.4231 | 0.2417 | 1.4434 | 0.2618 | 0.2780 | 0.1462 | 0.4460 | 1.5134 | 0.7860 | 1.0610 | 0.2838 | 0.2970 | 0.3109 | 0.8757 | 0.3534 | 2.4991 | 1.1108 | 0.7302 | 1.0822 | 0.2702 | 2.3312 | 0.7185 | 3.2495 | 0.2100 | 0.2104 | 0.7528 | 0.3516 | 0.5329 | 0.5339 | 0.9125 | 0.3895 | 1.0644 | 1.2138 | 1.3578 | 0.3460 | 1.2991 | 1.2439 | 0.2364 | 0.1416 | 1.5563 | 0.1795 | 0.5004 | 1.7947 | 0.4469 | 0.3433 | 0.3967 | 0.8019 | 1.5825 | 2.3548 | 1.3263 | 0.3137 | 1.3994 | 0.8633 | 1.9097 | 0.3664 | 0.9602 | 2.8618 | 3.5530 |
fructose | 0.9233 | 0.4286 | 0.7421 | 0.7530 | 1.7710 | 0.5365 | 0.8070 | 0.6060 | 2.8199 | 1.4733 | 0.2447 | 0.6315 | 0.3206 | 0.3509 | 1.4939 | 0.7677 | 0.5689 | 0.7592 | 3.3367 | 1.0541 | 1.2660 | 0.5236 | 1.2060 | 1.0004 | 1.6128 | 0.2840 | 0.3204 | 1.0901 | 0.3867 | 0.5818 | 0.1597 | 1.2408 | 1.2407 | 0.9896 | 0.6295 | 0.6581 | 0.1122 | 0.7569 | 0.2926 | 2.3207 | 2.8799 | 1.5493 | 0.1144 | 0.8330 | 0.8388 | 0.7480 | 5.9121 | 1.2644 | 2.2933 | 1.4392 | 1.1463 | 1.0182 | 0.1148 | 1.5595 | 1.5519 | 0.7545 | 0.1152 | 0.6538 | 0.9621 | 0.1118 |
fumaric acid | 1.1549 | 1.8720 | 0.9401 | 1.4458 | 1.0886 | 0.8179 | 0.7517 | 1.2211 | 1.0886 | 1.1063 | 0.5645 | 0.9178 | 0.8150 | 0.5990 | 0.5587 | 0.7286 | 0.5674 | 0.7027 | 0.7718 | 1.0130 | 1.9826 | 1.7568 | 1.2240 | 1.0410 | 0.9187 | 0.4608 | 0.6670 | 1.2989 | 0.7718 | 1.9872 | 0.4723 | 1.2125 | 0.5357 | 1.0253 | 0.8246 | 1.1942 | 0.4954 | 1.0213 | 0.7546 | 1.1635 | 0.5818 | 0.9562 | 0.4838 | 1.1986 | 0.6106 | 0.4320 | 2.1773 | 0.8936 | 1.2518 | 1.1904 | 1.0184 | 0.9613 | 0.5530 | 0.7963 | 0.5184 | 0.8928 | 0.6451 | 1.9670 | 1.1923 | 0.6912 |
galactonic acid | 0.7940 | 0.5587 | 0.8790 | 0.8908 | 1.2081 | 0.9361 | 0.8761 | 0.6028 | 0.8479 | 0.9014 | 0.6531 | 1.2105 | 1.0402 | 1.1419 | 0.9949 | 1.0699 | 0.6959 | 0.8626 | 1.0782 | 0.9802 | 0.8636 | 1.2596 | 1.5071 | 1.0720 | 0.5808 | 1.2105 | 0.8969 | 1.0194 | 0.8479 | 0.5342 | 0.9802 | 0.8895 | 1.0047 | 1.0405 | 0.8944 | 1.0739 | 1.1762 | 0.9456 | 0.7557 | 0.9434 | 1.1811 | 1.2498 | 0.7793 | 0.9106 | 1.8689 | 1.3919 | 0.9606 | 0.8887 | 0.7008 | 0.7155 | 0.8743 | 1.2285 | 1.1909 | 1.0488 | 0.9912 | 1.1885 | 1.3723 | 1.7141 | 1.1517 | 1.1370 |
gamma-tocopherol | 1.3497 | 0.6990 | 0.8319 | 0.8848 | 1.2026 | 1.2129 | 0.7563 | 0.6563 | 0.3938 | 1.1861 | 0.9899 | 1.2034 | 1.2422 | 1.6067 | 1.7933 | 0.7842 | 0.6017 | 0.3795 | 0.6847 | 1.0065 | 1.3679 | 0.5804 | 1.9000 | 1.0402 | 1.8043 | 0.8492 | 0.6873 | 0.8408 | 0.2878 | 0.7464 | 0.2230 | 0.5408 | 1.6209 | 0.9981 | 1.1272 | 1.3234 | 2.0257 | 0.8982 | 0.8701 | 0.9306 | 1.4011 | 0.9899 | 1.1987 | 0.8468 | 0.8634 | 1.1433 | 2.4954 | 0.8717 | 0.8571 | 0.7870 | 1.2989 | 0.9854 | 0.2957 | 1.3979 | 1.3746 | 1.3513 | 0.6658 | 0.8298 | 0.5013 | 0.3194 |
gluconic acid | 0.4511 | 0.6469 | 0.7311 | 0.9905 | 0.9682 | 1.0384 | 0.7756 | 0.4341 | 0.6681 | 0.9378 | 0.5969 | 1.0398 | 0.8086 | 0.9277 | 1.0596 | 0.6226 | 0.5064 | 0.8596 | 1.3809 | 1.0969 | 1.1388 | 0.4298 | 1.0852 | 1.0927 | 0.9830 | 1.0596 | 0.7124 | 0.6979 | 0.3490 | 0.5915 | 0.3873 | 1.0852 | 1.1788 | 1.1224 | 0.9994 | 1.1623 | 1.7937 | 1.1214 | 1.6495 | 0.5000 | 0.2511 | 0.9639 | 0.5320 | 0.9473 | 1.2171 | 0.6383 | 1.4469 | 0.8049 | 0.9263 | 1.5363 | 1.0775 | 1.3294 | 0.3532 | 1.1639 | 1.1288 | 0.8447 | 0.6171 | 1.2724 | 1.6725 | 0.4681 |
glucose | 0.7321 | 0.5703 | 0.8985 | 0.9825 | 0.7952 | 0.6466 | 0.6451 | 0.6047 | 0.9546 | 0.8647 | 0.6899 | 0.9829 | 1.6667 | 0.7245 | 1.2089 | 0.9655 | 0.6686 | 0.5238 | 1.0939 | 1.2984 | 0.8746 | 0.9933 | 1.2260 | 0.8846 | 1.0922 | 0.8825 | 0.8001 | 0.7966 | 0.5900 | 0.6950 | 0.7639 | 0.8200 | 0.9256 | 1.0482 | 0.8996 | 1.0854 | 2.6703 | 1.2121 | 0.7785 | 0.8564 | 0.8289 | 0.9152 | 1.1607 | 1.0984 | 1.8257 | 1.0309 | 1.4344 | 0.8949 | 0.8074 | 0.8683 | 0.9678 | 1.1344 | 1.1524 | 0.8982 | 0.8785 | 0.8423 | 1.0168 | 0.9559 | 0.8001 | 0.9837 |
glucuronic acid | 0.3420 | 0.3749 | 0.8056 | 0.5359 | 1.9148 | 0.5419 | 1.2136 | 1.0838 | 3.4809 | 0.8302 | 0.4757 | 0.5839 | 0.6024 | 0.4101 | 0.1943 | 0.6202 | 1.1065 | 0.4840 | 0.3527 | 1.8563 | 0.5355 | 0.5964 | 0.6288 | 0.8920 | 0.7049 | 1.1088 | 0.3542 | 1.3021 | 0.0943 | 2.7220 | 0.4499 | 0.6956 | 0.2579 | 1.1335 | 0.4114 | 0.9784 | 0.1295 | 1.3938 | 0.6821 | 3.3008 | 0.8271 | 0.4328 | 0.1306 | 1.1659 | 0.8384 | 0.4635 | 0.5612 | 1.2433 | 1.2607 | 1.9631 | 0.8673 | 0.9953 | 0.1034 | 0.4672 | 1.4806 | 1.4735 | 0.1238 | 0.7103 | 1.0963 | 0.4238 |
glutamine | 0.8721 | 0.8439 | 0.9975 | 1.0965 | 0.8905 | 0.8543 | 0.9159 | 1.0534 | 1.0085 | 0.8681 | 0.9074 | 1.2256 | 0.9210 | 1.1020 | 1.2252 | 0.9983 | 0.7834 | 1.0680 | 0.8755 | 0.9683 | 1.0471 | 1.6805 | 1.0219 | 0.8882 | 0.8691 | 0.8548 | 0.8350 | 0.9362 | 0.8947 | 1.3160 | 1.0491 | 1.1511 | 1.1553 | 1.0442 | 0.9549 | 1.0063 | 0.9195 | 0.9432 | 0.9445 | 1.4897 | 1.1532 | 0.9485 | 0.8526 | 0.9024 | 0.9316 | 0.7077 | 1.2788 | 1.0636 | 0.9747 | 1.0467 | 1.1136 | 1.0592 | 1.0126 | 1.0982 | 1.1114 | 1.0688 | 1.0497 | 1.2470 | 1.2977 | 1.0204 |
glyceric acid | 0.6464 | 0.2737 | 0.8987 | 0.7178 | 0.9504 | 0.5578 | 1.1765 | 1.1759 | 2.4572 | 0.9290 | 0.9934 | 0.6086 | 0.9755 | 1.7013 | 0.6865 | 0.9116 | 0.7207 | 1.9313 | 0.9421 | 1.0278 | 0.8191 | 0.9231 | 0.5920 | 0.9246 | 0.6556 | 1.2659 | 1.0104 | 1.2957 | 1.9189 | 1.4144 | 0.8680 | 0.8776 | 1.2792 | 0.9666 | 0.7770 | 1.0260 | 0.7761 | 0.9753 | 0.8483 | 1.6994 | 0.4594 | 1.2704 | 0.6523 | 1.0848 | 1.3884 | 0.6252 | 0.7834 | 1.0355 | 0.9423 | 0.8221 | 0.8623 | 1.2150 | 0.9830 | 0.8857 | 1.3787 | 0.6632 | 1.3265 | 1.5697 | 0.9398 | 0.7203 |
glycerol | 0.4498 | 0.5699 | 1.1450 | 0.9788 | 0.5691 | 0.9495 | 1.1410 | 0.4280 | 1.3062 | 0.8500 | 1.0499 | 0.8051 | 1.1196 | 0.8333 | 1.1626 | 1.1552 | 1.3062 | 0.5049 | 0.9064 | 1.1348 | 0.7956 | 0.9499 | 0.9428 | 0.8287 | 1.2799 | 0.5407 | 0.5552 | 1.2522 | 1.4001 | 2.6081 | 2.0954 | 1.3535 | 1.7808 | 0.9890 | 0.9965 | 1.0752 | 0.9311 | 0.9868 | 0.8628 | 1.1444 | 0.4751 | 1.0612 | 0.6152 | 1.0070 | 1.2451 | 2.1584 | 1.2597 | 1.0151 | 0.6197 | 0.6397 | 0.9716 | 0.8873 | 0.9818 | 1.0295 | 0.9406 | 0.8642 | 1.1703 | 1.1897 | 1.2916 | 1.1253 |
glycerol-3-galactoside | 0.6387 | 0.6795 | 1.3030 | 0.8902 | 1.0821 | 1.1824 | 0.5598 | 0.3703 | 0.9615 | 0.8506 | 0.4859 | 0.8902 | 0.8706 | 0.9479 | 0.7882 | 1.4671 | 0.7288 | 0.5130 | 1.0448 | 1.1554 | 0.9309 | 1.2877 | 1.3743 | 0.8384 | 0.6914 | 0.5572 | 0.5348 | 0.7933 | 0.4077 | 0.4179 | 0.4757 | 1.0057 | 0.4740 | 0.8774 | 0.9813 | 1.0212 | 0.4485 | 0.9428 | 1.3923 | 0.4587 | 1.2027 | 0.7797 | 0.6353 | 1.9770 | 0.6025 | 1.0974 | 1.7973 | 0.8060 | 0.7452 | 0.9298 | 1.2952 | 1.1895 | 0.4315 | 1.1102 | 1.2877 | 0.8018 | 0.6150 | 2.0521 | 1.9400 | 0.5096 |
glycerol-alpha-phosphate | 1.0596 | 0.8376 | 0.9821 | 0.9880 | 1.3871 | 0.8663 | 0.7866 | 1.1741 | 0.9558 | 1.1033 | 0.8421 | 1.0989 | 1.3415 | 0.6264 | 1.3101 | 1.5489 | 0.6944 | 0.8519 | 1.0596 | 0.9005 | 1.2013 | 1.6359 | 1.1061 | 0.8903 | 0.8018 | 0.6282 | 0.8863 | 0.9641 | 1.4676 | 0.2720 | 1.6359 | 1.2475 | 1.3781 | 1.0031 | 0.7010 | 1.1725 | 0.5011 | 0.9951 | 0.7252 | 0.7034 | 0.9200 | 0.8967 | 0.7553 | 0.8913 | 0.8281 | 0.7446 | 1.6824 | 0.9494 | 1.2851 | 1.3042 | 0.8176 | 1.0244 | 1.1419 | 1.0578 | 0.9593 | 0.6085 | 0.3938 | 1.2806 | 0.9951 | 0.3902 |
glycine | 0.9876 | 0.7794 | 0.8622 | 1.6490 | 0.9208 | 0.7564 | 1.0910 | 1.1107 | 1.6387 | 0.9917 | 0.9248 | 0.8968 | 0.8809 | 1.1341 | 1.0356 | 1.0294 | 0.7647 | 1.1629 | 1.0394 | 1.0555 | 0.9704 | 1.8202 | 0.8873 | 0.9559 | 0.8932 | 0.9049 | 0.9013 | 1.3856 | 1.4786 | 1.3363 | 1.7100 | 1.0505 | 0.8010 | 1.0658 | 1.0730 | 1.0721 | 0.7466 | 0.9514 | 0.7126 | 1.0290 | 0.9122 | 0.9115 | 1.1225 | 0.8379 | 0.7299 | 0.7095 | 1.0517 | 1.0228 | 0.9352 | 1.0017 | 0.8398 | 0.9965 | 0.9548 | 0.8676 | 0.9083 | 1.0899 | 1.1111 | 0.9466 | 0.9379 | 1.1996 |
glycocyamine | 0.9441 | 0.7858 | 0.8345 | 0.8830 | 0.7236 | 0.8339 | 0.8930 | 0.7257 | 1.2468 | 1.0017 | 1.0624 | 0.6722 | 1.0253 | 0.6936 | 1.3791 | 0.9806 | 0.8580 | 0.9181 | 0.7617 | 1.1263 | 1.3366 | 1.6518 | 0.8219 | 0.8940 | 1.0865 | 1.1145 | 0.8868 | 0.9482 | 1.0063 | 1.2508 | 0.9381 | 0.8539 | 0.7317 | 1.0434 | 1.0197 | 1.0321 | 0.9221 | 1.0832 | 1.0327 | 0.9862 | 0.7577 | 0.9502 | 1.2829 | 0.7673 | 0.7778 | 0.7698 | 1.2869 | 1.1174 | 0.8072 | 0.9956 | 1.0664 | 1.0455 | 1.6718 | 1.0354 | 0.9732 | 0.8519 | 1.0664 | 1.2549 | 1.2308 | 1.2148 |
glycolic acid | 1.3408 | 1.2545 | 1.0091 | 1.3330 | 1.0260 | 0.7264 | 0.9711 | 0.6999 | 1.3443 | 0.7913 | 0.9860 | 1.0139 | 1.0799 | 1.0076 | 1.6411 | 1.0943 | 0.8475 | 1.2545 | 1.0139 | 1.0275 | 0.7967 | 1.6255 | 0.7303 | 1.0042 | 0.9713 | 0.7534 | 0.8199 | 1.1877 | 1.5560 | 1.0319 | 1.2287 | 1.0352 | 0.7483 | 0.9946 | 1.0912 | 0.7312 | 1.0697 | 0.9420 | 1.0600 | 1.0401 | 0.7272 | 1.1139 | 1.2607 | 0.8817 | 0.8460 | 1.4185 | 1.2045 | 1.0511 | 0.8098 | 1.1381 | 0.8452 | 1.0310 | 0.7858 | 0.9215 | 0.8792 | 1.2279 | 2.1754 | 1.3777 | 0.9061 | 0.7921 |
hippuric acid | 0.3303 | 0.2635 | 0.8192 | 1.5440 | 0.5185 | 0.1684 | 0.7067 | 1.1251 | 1.0427 | 0.8348 | 0.7111 | 0.5285 | 0.7496 | 0.2533 | 0.7512 | 0.4765 | 0.3825 | 0.4074 | 0.5877 | 1.2559 | 1.1909 | 0.6953 | 2.1311 | 0.8604 | 0.3983 | 0.5999 | 0.6130 | 1.7085 | 0.2599 | 0.2940 | 1.1281 | 0.6752 | 0.3774 | 0.8662 | 2.5050 | 0.9374 | 0.6137 | 0.8768 | 0.6231 | 0.4031 | 0.8667 | 1.6390 | 1.6520 | 0.7211 | 1.6735 | 3.5054 | 1.6713 | 1.2670 | 1.7898 | 1.5391 | 1.0881 | 1.0719 | 1.0233 | 0.7177 | 1.2347 | 1.5378 | 0.2925 | 2.3399 | 1.3204 | 0.5442 |
hydrocinnamic acid | 0.7836 | 0.5610 | 0.9869 | 1.1806 | 0.5877 | 0.5699 | 1.3654 | 0.7450 | 2.1697 | 0.9180 | 1.1346 | 0.7153 | 0.8808 | 0.6382 | 1.3238 | 0.6851 | 0.6619 | 0.8637 | 0.9929 | 0.9689 | 1.0780 | 1.2051 | 0.8890 | 0.8215 | 0.6990 | 1.2837 | 0.9172 | 1.7280 | 0.7242 | 0.4987 | 1.1724 | 1.1917 | 0.5981 | 0.9197 | 1.0606 | 1.0692 | 1.0403 | 1.0611 | 0.9421 | 1.1160 | 0.6767 | 1.1249 | 1.8581 | 0.8611 | 0.8944 | 1.8314 | 1.4603 | 1.0852 | 1.3990 | 1.3624 | 0.9765 | 0.9213 | 1.5078 | 0.8133 | 1.0775 | 1.3446 | 1.0092 | 1.6177 | 1.1012 | 0.7153 |
hydroquinone | 0.4122 | 0.3475 | 0.8690 | 0.4981 | 0.6839 | 0.3660 | 0.5434 | 0.6950 | 1.3049 | 0.4526 | 0.5138 | 0.8293 | 0.8049 | 0.6876 | 1.4602 | 0.4713 | 0.3198 | 0.5397 | 1.1441 | 3.7667 | 0.8103 | 1.2347 | 0.7245 | 2.3626 | 0.3142 | 0.5619 | 0.4562 | 1.2026 | 0.4325 | 0.9611 | 2.2550 | 1.0674 | 0.5804 | 0.7409 | 0.5828 | 0.6280 | 0.3955 | 0.8629 | 1.0388 | 0.7412 | 0.2662 | 0.7800 | 0.5582 | 0.7689 | 0.5730 | 1.1386 | 0.8022 | 0.8715 | 0.6013 | 0.3881 | 0.5900 | 0.6675 | 0.5249 | 1.3715 | 0.5111 | 1.2698 | 0.2699 | 1.4140 | 0.8428 | 0.5360 |
hydroxylamine | 1.2126 | 1.0294 | 1.0081 | 1.1122 | 0.9194 | 1.0070 | 1.0710 | 1.0715 | 1.2116 | 0.9532 | 1.0535 | 0.6640 | 1.1648 | 0.8991 | 1.1799 | 1.1996 | 1.2118 | 0.9867 | 1.0828 | 0.9754 | 1.0267 | 1.1686 | 0.6424 | 1.0663 | 1.1258 | 0.4385 | 0.9841 | 1.0498 | 1.1405 | 0.8148 | 1.0083 | 0.9574 | 0.4576 | 1.0174 | 0.9862 | 0.9344 | 1.0791 | 0.9531 | 1.0516 | 0.6822 | 0.4465 | 1.2525 | 1.4502 | 0.9053 | 0.7352 | 1.2510 | 1.1262 | 0.9485 | 0.6403 | 0.9938 | 1.0853 | 1.1021 | 1.2212 | 1.0647 | 0.5691 | 1.1084 | 1.4894 | 1.1105 | 0.9488 | 1.3418 |
indole-3-acetate | 0.7926 | 0.5859 | 0.7712 | 0.5993 | 0.5909 | 0.7014 | 0.6402 | 0.5450 | 0.3215 | 0.8379 | 0.3349 | 3.9748 | 1.0071 | 0.7783 | 7.9894 | 0.5385 | 0.7206 | 0.7039 | 1.0787 | 0.8083 | 0.6994 | 0.8479 | 0.9863 | 1.0088 | 0.6921 | 1.3643 | 1.3032 | 0.7792 | 0.9074 | 0.1130 | 1.3729 | 1.2603 | 0.6579 | 1.1311 | 1.1505 | 0.6856 | 0.4872 | 0.9117 | 1.1435 | 0.7703 | 1.3903 | 1.2637 | 0.1701 | 1.1051 | 0.9832 | 0.7796 | 2.4132 | 0.8820 | 1.6647 | 1.2513 | 1.2664 | 1.0981 | 1.0142 | 0.8767 | 0.9543 | 1.1936 | 1.1669 | 1.5036 | 2.2233 | 0.2545 |
indole-3-lactate | 1.2374 | 1.5411 | 0.8615 | 0.7450 | 0.8444 | 0.3720 | 0.6214 | 0.7423 | 0.8316 | 1.0146 | 0.8836 | 0.9933 | 1.2711 | 0.8572 | 3.8827 | 1.2102 | 0.7049 | 0.4176 | 0.6584 | 1.0521 | 1.2277 | 0.6310 | 0.9401 | 0.9536 | 1.0277 | 1.4289 | 0.8181 | 0.8140 | 0.8116 | 0.6438 | 0.9775 | 0.9515 | 0.5827 | 0.9741 | 1.0477 | 1.1917 | 0.9374 | 0.8732 | 1.0268 | 1.2219 | 1.3295 | 0.9146 | 0.7021 | 0.7120 | 0.9757 | 0.7295 | 1.0486 | 1.0253 | 1.4942 | 1.2079 | 1.1187 | 1.0408 | 0.9265 | 0.9917 | 1.4303 | 0.9757 | 0.9246 | 1.3113 | 1.3514 | 0.7970 |
inosine | 0.3551 | 0.3866 | 1.1295 | 0.5778 | 1.0271 | 1.0735 | 0.4509 | 1.3324 | 0.3999 | 0.8998 | 1.3286 | 1.6636 | 0.8918 | 0.6272 | 2.4523 | 0.9164 | 0.2422 | 0.5691 | 3.4114 | 0.9369 | 1.4810 | 0.9209 | 0.3858 | 1.1979 | 0.9383 | 0.6571 | 0.7656 | 0.9325 | 0.2306 | 0.2472 | 0.2638 | 1.5734 | 1.0627 | 1.0093 | 0.6606 | 0.8047 | 0.6247 | 1.1157 | 0.6574 | 0.2049 | 1.5116 | 1.4892 | 3.5989 | 1.1795 | 0.8484 | 2.3096 | 1.1498 | 0.8971 | 1.1487 | 0.3108 | 0.8572 | 0.8645 | 0.3368 | 1.0561 | 1.6331 | 0.7035 | 1.1017 | 1.4497 | 0.6936 | 1.7339 |
inositol allo- | 0.1827 | 0.2026 | 0.5804 | 0.2953 | 0.4098 | 0.3048 | 1.0549 | 0.2915 | 0.4032 | 0.9410 | 0.2456 | 0.2776 | 0.6990 | 0.1988 | 0.3407 | 0.7048 | 0.2328 | 0.1817 | 0.3455 | 1.5170 | 0.9973 | 0.4127 | 0.3266 | 0.6837 | 0.3076 | 1.0298 | 1.0412 | 0.6547 | 0.1477 | 8.8557 | 0.3748 | 0.3147 | 0.3521 | 0.9234 | 0.4032 | 0.3124 | 0.5433 | 0.8499 | 0.6334 | 1.3384 | 0.1855 | 3.4577 | 0.2877 | 1.6432 | 0.4726 | 0.1761 | 5.3819 | 1.1197 | 0.2347 | 0.6096 | 0.8280 | 2.0765 | 2.8623 | 0.5973 | 3.1117 | 0.2423 | 0.4714 | 3.3507 | 2.6219 | 0.4013 |
inositol myo- | 0.6795 | 0.5760 | 0.7967 | 0.6909 | 0.8270 | 0.4320 | 0.5289 | 0.7472 | 0.9745 | 0.7183 | 0.6812 | 0.8217 | 0.8168 | 0.6435 | 1.0529 | 0.9254 | 0.6190 | 0.4462 | 0.8851 | 1.2053 | 1.3319 | 0.7979 | 0.7877 | 0.8794 | 0.8831 | 1.4739 | 0.7560 | 0.7276 | 0.9477 | 1.5458 | 1.1486 | 0.9383 | 1.0171 | 1.1039 | 0.8647 | 0.9191 | 0.6439 | 0.9301 | 0.9757 | 1.6869 | 0.7598 | 1.2389 | 1.1576 | 0.9173 | 0.9942 | 1.2680 | 0.9273 | 1.0575 | 0.8714 | 0.9829 | 0.7217 | 1.5275 | 1.1190 | 1.0814 | 1.3817 | 0.9339 | 1.8411 | 1.7381 | 1.9626 | 1.2388 |
isobutene glycol NIST | 1.0548 | 0.9807 | 0.6719 | 1.2734 | 1.0187 | 0.6956 | 1.0215 | 1.2316 | 2.2122 | 1.2481 | 1.0732 | 0.9566 | 0.9921 | 1.4368 | NA | 0.8052 | 0.7450 | 1.4178 | 0.8628 | 1.0788 | 0.9252 | 1.2087 | 0.9142 | 1.0499 | 0.9807 | 1.0301 | 0.6629 | 1.1182 | 0.4561 | 0.0570 | 0.7602 | 0.7602 | 1.6326 | 0.9604 | 1.0445 | 1.1061 | 0.5968 | 1.0253 | 0.7412 | 0.4732 | 1.9120 | 1.0263 | NA | 0.9972 | 1.3279 | 1.1289 | 0.7640 | 0.9742 | 1.1707 | 1.1568 | 1.0940 | 0.9720 | 1.0149 | 1.1796 | 1.4102 | 0.8648 | NA | 0.3218 | 1.4368 | NA |
isocitric acid | 1.0408 | 0.6765 | 0.8299 | 1.1287 | 1.1417 | 0.7546 | 0.9189 | 0.6570 | 1.2295 | 1.0506 | 0.6245 | 1.3314 | 0.7139 | 1.2945 | 0.7611 | 0.9244 | 0.8457 | 0.8847 | 0.9205 | 0.8815 | 1.3635 | 1.5287 | 1.3856 | 1.0582 | 0.5139 | 0.8717 | 0.8171 | 0.9595 | 0.7611 | 1.7954 | 0.8066 | 1.2913 | 0.6082 | 0.9752 | 0.9660 | 1.1659 | 0.5920 | 0.9530 | 0.6453 | 1.0083 | 1.2100 | 1.3043 | 0.7741 | 0.8541 | 1.5049 | 0.4879 | 1.4246 | 0.8063 | 1.2143 | 0.8153 | 1.1423 | 1.2183 | 1.0083 | 1.3824 | 1.2929 | 1.2458 | 0.8066 | 1.7662 | 0.9107 | 0.7806 |
isodeoxytetronic acid | 1.8404 | 0.7935 | 0.6739 | 0.5805 | 0.7407 | 0.5823 | 0.7098 | 0.6329 | 1.4432 | 1.0267 | 0.7813 | 1.3497 | 1.1834 | 0.7562 | 1.1441 | 0.8331 | 0.6519 | 0.5476 | 0.6808 | 1.3050 | 1.6012 | 0.9941 | 0.9320 | 0.9258 | 1.2022 | 1.4681 | 0.7521 | 0.6888 | 0.7118 | 0.8317 | 1.1317 | 0.9162 | 0.8942 | 1.0292 | 0.9167 | 1.0637 | 0.8170 | 0.9569 | 0.7527 | 2.0273 | 0.6648 | 0.9346 | 1.0181 | 0.7067 | 0.8284 | 0.9666 | 1.3403 | 1.0049 | 0.5852 | 0.8932 | 1.0747 | 1.1889 | 0.9275 | 1.2732 | 1.2728 | 0.7394 | 1.3704 | 1.7969 | 1.6829 | 0.9107 |
isoleucine | 2.1934 | 0.8664 | 0.8190 | 0.8783 | 0.6431 | 0.6802 | 0.5588 | 0.6138 | 0.1756 | 0.9414 | 0.8344 | 0.9730 | 1.2082 | 1.0021 | 1.9882 | 0.8777 | 0.4168 | 0.4698 | 0.7541 | 1.0671 | 1.0329 | 1.9207 | 0.8304 | 1.2145 | 0.8828 | 1.0780 | 0.8402 | 0.7860 | 0.7522 | 0.8634 | 1.3285 | 0.7071 | 0.8386 | 1.0586 | 0.9262 | 0.9569 | 1.1713 | 1.1271 | 0.8883 | 1.0288 | 1.0926 | 0.8218 | 1.3274 | 0.8109 | 1.4786 | 1.0802 | 0.9495 | 1.0233 | 0.8426 | 0.5884 | 0.8363 | 0.9253 | 1.2905 | 1.0776 | 1.5994 | 1.1464 | 1.3527 | 1.7471 | 0.8569 | 1.1775 |
isothreitol | 0.7079 | 0.6433 | 0.7781 | 0.7813 | 0.6689 | 0.6137 | 0.4219 | 0.5868 | 1.2274 | 0.7283 | 0.7692 | 0.8443 | 0.8647 | 0.6783 | 1.1817 | 0.9009 | 1.3042 | 0.5922 | 0.7281 | 1.1045 | 0.9125 | 0.9610 | 0.8075 | 0.8796 | 0.9031 | 2.9690 | 0.8781 | 0.8439 | 1.1521 | 0.8990 | 1.2544 | 0.8250 | 0.8344 | 1.1414 | 0.8080 | 0.7956 | 0.8519 | 0.8294 | 0.7338 | 2.1951 | 1.0148 | 0.9852 | 1.3566 | 1.0398 | 1.0202 | 0.8183 | 0.7187 | 1.0034 | 1.1269 | 0.8398 | 0.8619 | 1.4142 | 0.6999 | 1.0323 | 1.8041 | 0.7820 | 1.8762 | 2.0599 | 2.0619 | 0.8533 |
kynurenine | 0.2327 | 0.2860 | 0.7475 | 0.2657 | 0.2238 | 0.2178 | 1.8862 | 0.2836 | 3.3614 | 0.4157 | 0.9241 | 0.3167 | 0.2731 | 0.2345 | 0.3039 | 0.5034 | 1.4904 | 0.2202 | 0.2609 | 2.2605 | 0.2697 | 0.2549 | 0.3219 | 0.8801 | 0.2842 | 0.3279 | 0.2405 | 1.0905 | 0.2585 | 4.7351 | 0.2728 | 0.2962 | 1.6268 | 1.3436 | 0.2367 | 0.8140 | 0.2292 | 1.3714 | 0.7838 | 5.2664 | 0.9370 | 0.3327 | 0.3075 | 1.1164 | 0.2784 | 0.2776 | 0.2704 | 1.6276 | 1.2776 | 2.4946 | 0.7733 | 0.8275 | 0.3327 | 0.3285 | 1.0022 | 1.4360 | 0.4152 | 0.3276 | 0.4200 | 0.4128 |
lactic acid | 1.1525 | NA | 1.0734 | 1.5260 | 0.5501 | 0.4444 | 0.9132 | NA | 1.5251 | 0.9304 | 0.3341 | 1.3122 | NA | 1.3057 | NA | 1.1872 | 1.0024 | 0.8386 | 0.7023 | 1.1564 | 1.0464 | 1.9399 | 1.5381 | 0.9528 | 0.0127 | NA | 1.5457 | 1.0307 | NA | 0.7700 | NA | 1.1799 | 0.4341 | 0.8471 | 0.8151 | 0.9392 | 1.4022 | 0.9076 | 0.5816 | 0.9028 | 0.8795 | 1.0817 | NA | 0.9107 | 1.0979 | NA | 1.3162 | 0.9197 | 0.7356 | 2.0500 | 1.4141 | 0.9700 | 1.2355 | 1.3558 | 0.9311 | 1.1737 | NA | 1.2586 | NA | NA |
lactobionic acid | 0.9983 | 1.1425 | 0.9018 | 0.7463 | 0.7521 | 1.2079 | 0.9156 | 0.9040 | 1.7619 | 1.0741 | 0.8319 | 1.0682 | 0.6299 | 1.4618 | 1.5811 | 0.8271 | 0.8636 | 0.6232 | 1.0214 | 0.9062 | 0.8740 | 1.4080 | 1.0810 | 0.9786 | 0.9540 | 0.8540 | 0.7071 | 0.9784 | 0.7078 | 1.5619 | 0.9079 | 0.8136 | 0.8059 | 1.1246 | 0.8720 | 1.0229 | 0.8117 | 1.1012 | 0.7063 | 0.7021 | 0.5617 | 1.1195 | 0.6963 | 1.1695 | 0.6783 | 1.5042 | 1.3195 | 1.1675 | 0.9143 | 1.5888 | 1.4780 | 0.8728 | 0.6655 | 0.8088 | 0.8069 | 1.1579 | 0.9656 | 1.3570 | 1.4234 | 1.0041 |
lauric acid | 0.8093 | 1.0478 | 1.1422 | 1.2547 | 1.0671 | 0.8126 | 1.0995 | 1.1446 | 1.0822 | 0.9776 | 0.8328 | 0.7518 | 1.2272 | 0.7867 | 1.1829 | 1.0631 | 1.1644 | 0.5155 | 0.9336 | 1.0908 | 1.1547 | 1.2405 | 0.3923 | 1.0113 | 1.2632 | 0.9850 | 0.9026 | 1.1859 | 1.6556 | 1.2756 | 1.2092 | 1.0923 | 1.0942 | 1.0159 | 0.8750 | 0.9755 | 0.7421 | 0.9668 | 1.0892 | 0.8482 | 0.6406 | 1.1437 | 0.6007 | 0.9960 | 0.6594 | 0.9532 | 0.6680 | 0.9231 | 1.0078 | 1.0037 | 0.8419 | 1.0167 | 1.3377 | 1.1149 | 0.6273 | 0.8433 | 1.3040 | 0.9683 | 0.5674 | 0.5596 |
leucine | 1.6648 | 0.8635 | 0.7966 | 0.8732 | 0.5100 | 0.6949 | 0.6406 | 0.6553 | 0.7533 | 0.9080 | 0.9227 | 0.8972 | 1.2486 | 1.1484 | 1.7967 | 0.9437 | 0.8215 | 0.5890 | 0.6229 | 1.1177 | 1.0322 | 1.5569 | 0.8433 | 1.1217 | 0.7237 | 1.0892 | 0.8434 | 0.8274 | 0.6454 | 0.6647 | 1.0481 | 0.6821 | 0.9966 | 1.0751 | 0.9469 | 0.9970 | 1.1893 | 1.1335 | 0.8846 | 0.8561 | 1.1797 | 0.8735 | 1.2854 | 0.7956 | 1.3228 | 0.8558 | 1.1179 | 1.1038 | 0.8659 | 0.8537 | 0.9980 | 0.9108 | 1.3643 | 1.1139 | 1.3654 | 1.1069 | 1.4121 | 1.4244 | 0.6747 | 1.1890 |
levoglucosan | 0.9206 | 0.7286 | 0.7228 | 2.5154 | 1.2201 | 2.0979 | 1.0512 | 0.2359 | 0.9437 | 0.8059 | 0.7991 | 0.8142 | 0.5048 | 0.9321 | 0.3654 | 0.6812 | 0.2220 | 0.9275 | 1.2236 | 1.2549 | 1.1070 | 0.6546 | 0.5250 | 1.3180 | 0.3469 | 0.2394 | 1.0283 | 0.8508 | 0.2591 | 0.8442 | 0.2359 | 1.6665 | 0.5424 | 1.1642 | 0.3793 | 1.4032 | 1.7555 | 0.8593 | 0.6819 | 1.1264 | 0.9136 | 0.9668 | 1.0802 | 1.3071 | 0.7864 | 0.2220 | 1.0478 | 1.2812 | 1.2590 | 0.4271 | 1.2263 | 0.6417 | 0.2776 | 0.7500 | 0.7164 | 0.8651 | 0.3631 | 1.6966 | 0.9275 | 0.2752 |
linoleic acid | 1.3658 | 0.9617 | 1.1137 | 1.2400 | 0.7395 | 1.2881 | 0.4858 | 0.1180 | 0.7709 | 1.1345 | 0.8486 | 0.8162 | 1.1382 | 1.2960 | 0.1986 | 0.8885 | 0.8751 | 0.2989 | 0.8742 | 1.2092 | 1.0352 | 1.2134 | 0.9410 | 0.9371 | 1.5556 | 0.4277 | 0.2958 | 1.1692 | 1.4120 | 3.2961 | 2.1574 | 0.8063 | 1.8978 | 1.0102 | 1.3114 | 1.3334 | 0.7719 | 1.0902 | 1.0207 | 0.6618 | 0.1416 | 1.0285 | 0.1809 | 0.7257 | 0.9820 | 0.6234 | 0.8437 | 0.9602 | 0.4556 | 0.9623 | 1.1131 | 1.0300 | 1.2881 | 0.8806 | 0.8157 | 0.6991 | 0.4484 | 0.7178 | 1.5595 | 1.3157 |
linolenic acid | 1.1470 | 0.2633 | 0.6606 | 1.1698 | 1.3545 | 0.3561 | 0.8364 | 0.2482 | 1.2560 | 0.9752 | 1.4520 | 1.4460 | 0.3183 | 1.4378 | 0.4679 | 0.5242 | 0.9803 | 0.7729 | 0.9614 | 1.1599 | 0.9517 | 1.5306 | 1.5808 | 0.9087 | 0.2756 | 0.5797 | 0.4781 | 1.2206 | 0.3410 | 5.0049 | 0.3542 | 0.7634 | 2.5915 | 1.0234 | 0.7738 | 1.6197 | 0.4537 | 1.1312 | 0.6657 | 1.1338 | 0.6498 | 0.8458 | 0.4300 | 1.0324 | 1.0097 | 0.3220 | 0.9604 | 1.0390 | 0.5948 | 0.6801 | 1.1279 | 1.3948 | 0.5664 | 1.0736 | 1.2233 | 1.0220 | 0.4565 | 0.6398 | 0.3296 | 0.4395 |
lysine | 1.2933 | 1.0690 | 0.9929 | 1.0874 | 0.7481 | 0.7341 | 0.8438 | 0.9652 | 0.7466 | 0.9859 | 0.9210 | 0.8838 | 1.0255 | 0.8932 | 1.0014 | 0.9057 | 0.9545 | 0.9081 | 0.9281 | 1.0171 | 0.9378 | 1.4980 | 0.8324 | 0.9811 | 0.8942 | 0.9742 | 0.9569 | 0.9538 | 0.8654 | 0.8070 | 0.6219 | 1.1760 | 1.3435 | 1.0495 | 0.9237 | 0.8950 | 0.9848 | 1.1115 | 0.9307 | 1.3030 | 0.9663 | 0.8624 | 0.9415 | 0.9925 | 1.3691 | 0.6470 | 1.2113 | 0.9939 | 0.8444 | 0.9751 | 1.0062 | 0.9955 | 1.0107 | 1.0358 | 1.1366 | 0.9896 | 0.6316 | 1.1241 | 0.9626 | 1.3313 |
lyxose | 0.4910 | 1.0238 | 0.9436 | 0.7245 | 0.7507 | 0.9880 | 0.3925 | 1.0178 | 1.3073 | 0.7556 | 0.6201 | 0.8696 | 0.6544 | 0.8238 | 0.3015 | 0.7513 | 0.3462 | 0.6596 | 1.1551 | 1.3390 | 1.0906 | 0.8029 | 0.8327 | 0.8125 | 1.8595 | 1.0700 | 0.6405 | 0.7611 | 0.2985 | 1.4148 | 0.3970 | 1.1678 | 1.0357 | 1.0577 | 0.7357 | 0.9050 | 0.3746 | 0.9896 | 0.6238 | 1.8774 | 0.6925 | 0.8790 | 0.3373 | 2.1120 | 0.7591 | 0.9820 | 1.5700 | 0.9106 | 1.1929 | 0.5741 | 0.8107 | 1.6479 | 0.3015 | 0.8432 | 0.9588 | 0.5955 | 0.3104 | 1.1335 | 4.6443 | 0.4208 |
malic acid | 0.8760 | 1.2980 | 0.8597 | 0.7235 | 0.8210 | 0.7201 | 0.6995 | 0.9219 | 1.8438 | 0.9625 | 0.9196 | 0.9510 | 0.8680 | 1.3072 | 1.1421 | 1.2641 | 0.8646 | 0.7614 | 0.7109 | 1.1853 | 0.9650 | 1.1971 | 0.9907 | 1.1240 | 1.0962 | 1.0664 | 0.7155 | 0.9234 | 0.6605 | 1.1925 | 0.8623 | 0.7648 | 0.8371 | 1.1912 | 0.8562 | 1.0412 | 0.8027 | 1.0930 | 0.7916 | 1.0756 | 1.1650 | 0.6696 | 0.8852 | 0.7770 | 0.9678 | 1.2797 | 0.5642 | 0.8752 | 1.1359 | 0.8164 | 1.0320 | 0.9961 | 0.9769 | 1.1375 | 1.0675 | 1.0916 | 0.6513 | 1.2521 | 0.7660 | 0.6742 |
methanolphosphate | 1.0902 | 0.5848 | 0.6253 | 0.7477 | 0.5764 | 0.9106 | 1.7459 | 0.9690 | 1.0526 | 1.4076 | 0.7957 | 0.6544 | 1.7459 | 4.5027 | 1.0693 | 0.8003 | 0.8437 | 0.9440 | 0.6892 | 0.9116 | 0.8020 | 0.7518 | 0.5848 | 1.0600 | 0.6767 | 0.6683 | 0.7285 | 0.8061 | 0.6934 | 0.7435 | 0.7351 | 0.6161 | 0.7310 | 1.0585 | 1.6986 | 0.7918 | 0.8897 | 1.1868 | 0.8421 | 0.7101 | 0.7184 | 0.7518 | 0.8187 | 0.9340 | 0.6711 | 3.6673 | 0.7351 | 0.7327 | 0.6321 | 0.7156 | 1.3416 | 1.4016 | 0.8855 | 0.9544 | 0.6432 | 0.8396 | 0.8270 | 1.3867 | 0.8939 | 1.0442 |
methionine | 1.3860 | 1.7025 | 1.0357 | 1.0375 | 0.7593 | 0.8597 | 0.9636 | 0.9193 | 0.8844 | 0.9949 | 0.5253 | 1.2857 | 1.0046 | 1.2962 | 0.0519 | 0.9443 | 1.2447 | 0.8354 | 0.9692 | 1.1275 | 0.8898 | 2.3657 | 1.0272 | 0.8783 | 1.0782 | 0.7085 | 1.0444 | 0.8784 | 0.0320 | 0.9668 | 1.5914 | 1.1411 | 1.1497 | 1.0545 | 0.8310 | 0.9480 | 0.0429 | 1.2345 | 0.5234 | 1.1919 | 1.0647 | 0.5533 | 0.0512 | 0.8155 | 0.3683 | 0.8689 | 1.3429 | 1.2249 | 1.1826 | 1.1268 | 1.0130 | 1.0208 | 0.0607 | 1.0165 | 1.2524 | 1.4537 | 0.0482 | 1.1105 | 1.0691 | 0.0423 |
methionine sulfoxide | 1.1358 | 1.1641 | 0.9614 | 0.9319 | 0.9646 | 0.7890 | 0.7890 | 0.9259 | 1.3636 | 1.0597 | 1.1127 | 0.9259 | 0.9349 | 1.4886 | 0.8515 | 0.7896 | 0.7086 | 1.0391 | 0.9438 | 0.8802 | 0.9456 | 1.6196 | 0.8723 | 1.2007 | 0.9542 | 1.1522 | 0.8807 | 1.3016 | 0.7116 | 1.1790 | 0.6312 | 1.0994 | 0.6371 | 1.0494 | 0.9081 | 0.9236 | 0.6982 | 0.9966 | 0.7461 | 1.2251 | 0.7860 | 0.7622 | 0.9319 | 0.9119 | 1.3447 | 0.9408 | 1.5928 | 0.9764 | 1.0202 | 1.0609 | 0.9867 | 1.0068 | 0.8515 | 1.0130 | 1.1321 | 0.8902 | 0.8426 | 1.3442 | 1.3338 | 0.9617 |
methylhexadecanoic acid | 0.8029 | 0.9805 | 1.1844 | 0.7202 | 0.9684 | 1.5367 | 0.6958 | 0.6453 | 0.4043 | 1.0105 | 0.7906 | 1.0660 | 1.1478 | 0.9323 | 1.2203 | 0.9486 | 0.8537 | 0.7626 | 1.2518 | 1.0806 | 1.0546 | 1.1816 | 0.8637 | 0.9914 | 1.6676 | 0.7657 | 0.9750 | 0.8939 | 1.0129 | 1.3544 | 1.5838 | 0.9949 | 1.1308 | 1.0138 | 0.9578 | 0.9675 | 0.9066 | 1.0112 | 1.0188 | 0.6154 | 0.7773 | 0.9632 | 0.4892 | 0.8702 | 0.8715 | 1.0695 | 0.4871 | 0.9961 | 0.9061 | 0.9913 | 1.0873 | 1.1101 | 1.1900 | 1.0535 | 0.9200 | 0.9098 | 0.9490 | 0.9737 | 1.1240 | 1.1135 |
myristic acid | 0.8146 | 0.9257 | 1.1523 | 1.1381 | 0.7414 | 1.1978 | 0.8018 | 0.7934 | 0.7857 | 0.9608 | 0.9433 | 0.6864 | 1.2745 | 0.8499 | 1.0309 | 1.1777 | 0.9770 | 0.5585 | 0.8191 | 1.0036 | 1.0386 | 1.2505 | 0.7003 | 0.9768 | 1.2312 | 0.9732 | 0.8740 | 1.0949 | 1.4456 | 1.7756 | 1.4264 | 1.0133 | 1.5862 | 1.0574 | 1.0121 | 1.0359 | 1.0072 | 0.9966 | 1.1264 | 0.7453 | 0.4172 | 1.0945 | 0.7305 | 0.9396 | 0.8743 | 0.7267 | 0.4596 | 0.9598 | 0.9766 | 0.9505 | 0.8468 | 1.0142 | 1.6074 | 0.9796 | 0.6371 | 0.7337 | 0.9385 | 0.8637 | 0.8088 | 1.2530 |
nicotinic acid | 0.0184 | 0.0145 | 0.0476 | 0.0216 | 0.4427 | 0.0177 | 0.0222 | 0.0134 | 0.7391 | 0.2903 | 0.0276 | 2.7447 | 0.0680 | 1.2494 | 0.0753 | 0.0348 | 0.0212 | 1.2549 | 0.0350 | 0.1029 | 0.1329 | 0.0317 | 0.5353 | 0.6812 | 0.0171 | 0.0344 | 0.0646 | 0.0249 | 0.0217 | 0.0324 | 0.4016 | 0.0152 | 14.5526 | 1.3645 | 3.0304 | 1.0988 | 0.2308 | 0.7826 | 0.0169 | 5.6595 | 16.0216 | 0.0245 | 0.0333 | 1.3463 | 0.2787 | 0.0124 | 0.0232 | 2.0500 | 3.7615 | 0.0230 | 0.1990 | 0.1307 | 0.0388 | 0.0264 | 11.8565 | 0.0186 | 0.0726 | 0.0239 | 0.0121 | 0.0324 |
N-methylalanine | 2.1394 | 1.4536 | 0.7719 | 0.5914 | 0.6084 | 0.3686 | 0.8760 | 0.7283 | 1.1260 | 0.9293 | 0.9309 | 1.2240 | 1.2323 | 0.9929 | 1.5340 | 0.9041 | 1.1037 | 0.4434 | 0.5016 | 1.1912 | 1.0248 | 1.7809 | 0.6799 | 0.9805 | 0.9904 | 0.6376 | 0.7838 | 0.9058 | 0.8255 | 0.8773 | 1.7880 | 1.0378 | 1.3657 | 1.0512 | 1.0760 | 1.1003 | 0.7762 | 1.1437 | 0.7952 | 0.9499 | 0.7632 | 1.0910 | 1.2480 | 0.7951 | 1.1017 | 1.1964 | 1.2008 | 1.0332 | 0.5563 | 0.6370 | 1.1867 | 1.0554 | 1.4422 | 0.9248 | 1.2697 | 1.1595 | 0.8555 | 0.9559 | 0.4275 | 1.1127 |
oleic acid | 1.0238 | 0.8711 | 1.0806 | 0.9874 | 0.4336 | 1.3920 | 0.4972 | 0.0537 | 0.5158 | 1.0306 | 0.9393 | 1.0390 | 1.3677 | 1.1529 | 0.7017 | 1.0350 | 0.8932 | 0.2077 | 0.7772 | 1.3047 | 0.8250 | 1.0941 | 1.0590 | 0.8925 | 1.4821 | 0.3279 | 0.3690 | 1.0285 | 1.1875 | 3.9101 | 1.8598 | 0.7660 | 2.4206 | 1.1496 | 1.0369 | 1.0954 | 0.5177 | 0.9965 | 1.3885 | 0.6075 | 0.1272 | 0.8992 | 0.2716 | 0.7929 | 1.1308 | 0.7478 | 0.6449 | 0.9972 | 0.4523 | 0.9508 | 1.2176 | 0.8995 | 1.3102 | 0.9976 | 0.8669 | 0.6378 | 0.6704 | 0.7086 | 1.3498 | 1.3408 |
ornithine | 1.1048 | 1.2323 | 0.9018 | 1.0575 | 0.6921 | 0.6778 | 0.8183 | 0.9165 | 0.7308 | 1.0011 | 1.0338 | 0.8073 | 0.9216 | 0.8214 | 0.9828 | 0.9044 | 0.7522 | 0.8525 | 0.8007 | 1.0173 | 1.1665 | 1.6293 | 1.0822 | 0.8891 | 0.8240 | 1.0298 | 0.9768 | 1.1975 | 1.3187 | 1.1449 | 1.1131 | 0.9842 | 0.7927 | 1.0546 | 0.9525 | 0.9454 | 1.1209 | 0.9579 | 1.0717 | 1.5351 | 0.8293 | 0.8860 | 0.8947 | 0.8686 | 1.0277 | 0.6668 | 1.2919 | 1.0344 | 0.9918 | 1.0653 | 1.0985 | 0.9786 | 1.2704 | 1.1794 | 1.1905 | 1.2152 | 0.8222 | 1.2556 | 1.4219 | 1.1245 |
oxalic acid | 0.7488 | 0.4255 | 0.3553 | 0.2461 | 0.2443 | 0.2083 | 0.3649 | 0.4021 | 0.4972 | 2.0579 | 4.8950 | 0.4319 | 0.3172 | 0.4214 | 0.4329 | 0.2694 | 0.1970 | 0.3430 | 0.3667 | 0.7245 | 1.5146 | 0.5427 | 0.3047 | 0.3803 | 0.4737 | 0.3965 | 0.2591 | 0.2871 | 0.9088 | 0.5929 | 0.0502 | 0.3452 | 0.5904 | 1.2867 | 0.3764 | 4.0008 | 0.1745 | 0.4040 | 3.3644 | 0.5074 | 0.1576 | 0.2952 | 0.2690 | 0.4256 | 0.3900 | 1.0579 | 0.4302 | 1.7538 | 0.2385 | 0.3178 | 0.4738 | 1.8470 | 0.0800 | 0.2997 | 0.4120 | 0.4173 | 0.6409 | 0.6014 | 0.3589 | 0.1796 |
oxoproline | 1.1415 | 0.9458 | 0.9044 | 0.9749 | 0.6631 | 0.9129 | 0.8871 | 0.8464 | 0.9156 | 1.1247 | 0.9820 | 1.0522 | 0.9301 | 0.7857 | 1.0385 | 0.9934 | 0.8300 | 0.8444 | 0.7497 | 1.1414 | 1.1721 | 1.4028 | 0.8553 | 0.9676 | 0.8983 | 0.9704 | 1.0556 | 1.0610 | 0.9019 | 1.1445 | 1.0856 | 0.8647 | 0.8927 | 1.0278 | 0.8631 | 1.1856 | 0.8863 | 1.0121 | 1.1817 | 1.1135 | 0.8825 | 0.9180 | 0.7658 | 0.8433 | 0.8922 | 0.7168 | 1.0555 | 1.0110 | 1.0568 | 0.9708 | 1.0573 | 1.0045 | 1.2103 | 0.9489 | 0.8395 | 0.9414 | 1.1744 | 0.9171 | 0.9034 | 0.9966 |
palmitic acid | 0.9258 | 0.9685 | 1.1868 | 0.9163 | 0.6646 | 1.1660 | 0.6224 | 0.5704 | 0.5975 | 0.9425 | 0.9601 | 0.8138 | 1.3052 | 0.9470 | 1.0543 | 1.1027 | 0.9485 | 0.4251 | 0.8525 | 1.1917 | 0.9818 | 1.0981 | 0.7540 | 0.9287 | 1.3418 | 0.7423 | 0.7597 | 0.8987 | 1.0712 | 1.8145 | 1.4591 | 0.9132 | 1.8352 | 1.0617 | 0.9665 | 1.0474 | 1.0960 | 1.0025 | 1.1787 | 0.7338 | 0.3759 | 0.9544 | 0.6199 | 0.9332 | 0.9823 | 0.7390 | 0.6865 | 1.0128 | 0.6665 | 0.9747 | 1.0616 | 1.0104 | 1.2237 | 0.9711 | 0.8399 | 0.6952 | 1.0742 | 0.8297 | 1.0423 | 1.1606 |
palmitoleic acid | 0.6175 | 1.0504 | 1.5576 | 0.9909 | 0.3733 | 1.1889 | 0.3768 | 0.2697 | 0.3823 | 0.9828 | 0.8202 | 0.8406 | 1.1200 | 0.7151 | 0.2567 | 1.7362 | 0.9783 | 0.2251 | 0.6062 | 0.9986 | 1.1370 | 0.4867 | 0.7046 | 0.7126 | 1.1848 | 0.4199 | 0.2689 | 1.2087 | 1.2067 | 3.8760 | 2.2830 | 0.9431 | 2.1886 | 1.3066 | 1.1148 | 1.1077 | 0.3964 | 0.8683 | 1.2349 | 0.5896 | 0.2098 | 0.9151 | 0.4114 | 1.2181 | 0.8687 | 0.6398 | 0.3636 | 0.9542 | 0.4225 | 0.7272 | 1.1152 | 0.7981 | 0.9443 | 0.5062 | 0.9475 | 0.3989 | 0.4916 | 0.5290 | 1.0269 | 1.3921 |
parabanic acid NIST | 0.9228 | 1.1980 | 0.9433 | 0.8130 | 0.8570 | 1.1706 | 0.7387 | 0.8681 | 1.2219 | 0.9631 | 1.1138 | 0.7291 | 0.9305 | 0.7024 | 0.9758 | 1.0308 | 0.7451 | 0.9416 | 1.3082 | 0.9743 | 1.8679 | 1.0612 | 0.9023 | 0.9598 | 0.7622 | 1.4261 | 0.9748 | 1.0006 | 0.9878 | 0.7485 | 0.9314 | 0.9151 | 1.1595 | 1.0053 | 0.9288 | 0.8695 | 1.3509 | 0.9773 | 0.9755 | 0.8263 | 0.7946 | 1.0168 | 1.3295 | 0.8722 | 0.9211 | 1.6286 | 1.1774 | 1.0722 | 1.0066 | 0.8174 | 1.1713 | 1.0017 | 1.3654 | 1.0292 | 0.9250 | 0.8758 | 1.4201 | 1.0882 | 1.2612 | 0.9741 |
paracetamol | 0.1514 | 0.2053 | 1.1344 | 0.2592 | 0.5774 | 0.3677 | 0.1580 | 0.3913 | 0.9702 | 0.4427 | 0.3216 | 0.4662 | 0.5069 | 0.1492 | 15.8620 | 6.1403 | 2.2233 | 0.1610 | 0.6247 | 1.9540 | 0.1639 | 0.5567 | 0.1661 | 0.2693 | 0.3618 | 0.2141 | 0.1530 | 0.2434 | 0.1831 | 2.3126 | 0.2127 | 2.3130 | 0.1875 | 0.5558 | 1.1196 | 0.3835 | 0.4423 | 0.1793 | 0.6120 | 3.0569 | 0.1654 | 0.1477 | 0.2008 | 0.2487 | 0.6193 | 0.1669 | 1.3276 | 2.6213 | 0.2235 | 0.2269 | 0.1819 | 0.6218 | 0.1920 | 0.6262 | 0.1632 | 0.1580 | 7.2170 | 0.5065 | 0.1979 | 0.2422 |
pelargonic acid | 0.7299 | 1.2700 | 1.2106 | 0.9858 | 0.8593 | 1.1287 | 0.7343 | 1.0401 | 1.1908 | 0.9370 | 1.0699 | 0.7684 | 1.3390 | 0.9554 | 1.6399 | 1.0023 | 0.6500 | 0.7879 | 0.8197 | 0.8725 | 1.1724 | 1.1067 | 0.5475 | 0.8914 | 1.2271 | 0.9971 | 1.0120 | 1.0693 | 1.5397 | 0.7368 | 2.1184 | 0.9161 | 1.3209 | 0.9947 | 1.0295 | 1.0136 | 1.4632 | 0.9946 | 0.7540 | 0.8977 | 0.6188 | 1.1421 | 0.7923 | 0.9453 | 0.6851 | 1.0398 | 0.9134 | 1.1324 | 0.9354 | 0.8104 | 1.1316 | 1.0318 | 1.1263 | 1.0994 | 0.8126 | 0.5094 | 1.5829 | 0.9705 | 0.9931 | 1.0840 |
phenylalanine | 1.1711 | 1.2905 | 0.9183 | 1.1920 | 0.6776 | 0.9983 | 0.7220 | 0.8951 | 0.9984 | 1.0029 | 0.9084 | 1.0364 | 1.1068 | 0.7916 | 1.3870 | 0.8589 | 0.9432 | 0.5978 | 0.8547 | 1.0764 | 0.9505 | 1.3525 | 1.1803 | 0.9886 | 0.9842 | 1.1514 | 0.8918 | 0.9719 | 0.9043 | 1.0325 | 1.0156 | 0.9706 | 0.9205 | 1.0458 | 0.9184 | 0.9853 | 1.2229 | 1.0202 | 0.9433 | 0.9701 | 1.0362 | 0.8793 | 1.1620 | 0.8615 | 1.2272 | 1.0071 | 1.1228 | 1.0560 | 0.9769 | 1.0262 | 0.9765 | 0.9421 | 1.1866 | 1.0401 | 1.1029 | 1.0029 | 1.1425 | 1.2795 | 1.0115 | 0.9106 |
phosphoric acid | 1.1078 | 0.8866 | 0.9230 | 0.8202 | 1.0325 | 0.6370 | 0.9615 | 1.0898 | 1.5021 | 0.9692 | 0.9917 | 0.7873 | 1.1455 | 1.2149 | 0.8246 | 1.0257 | 0.8018 | 0.6990 | 0.9928 | 1.2222 | 1.2745 | 1.6281 | 1.1342 | 0.9942 | 0.9496 | 0.5378 | 0.9653 | 1.0321 | 0.8765 | 1.7968 | 1.2499 | 1.0696 | 1.3264 | 0.9999 | 0.9279 | 0.9117 | 1.5634 | 1.0451 | 0.9422 | 1.2317 | 0.8671 | 1.1511 | 0.9693 | 1.0526 | 0.9388 | 1.0312 | 0.8382 | 0.9132 | 0.9321 | 0.8910 | 0.9700 | 0.9784 | 0.6790 | 0.8829 | 0.6151 | 0.8306 | 1.1250 | 1.1664 | 0.7347 | 0.8147 |
p-hydroquinone | 0.3678 | 0.9379 | 0.7690 | 0.6320 | 0.5942 | 0.3180 | 0.8198 | 0.6038 | 1.1338 | 0.4809 | 0.4689 | 0.9090 | 0.3790 | 0.5974 | 0.3469 | 0.6260 | 0.6103 | 0.4689 | 1.1708 | 3.6757 | 0.8441 | 1.3587 | 0.6295 | 2.2016 | 0.3453 | 0.5219 | 0.4683 | 1.2596 | 0.7516 | 1.0728 | 2.2676 | 1.0728 | 0.5043 | 0.7182 | 0.5958 | 0.5892 | 0.4192 | 0.9616 | 1.0972 | 0.6440 | 0.2313 | 0.8271 | 0.3469 | 0.8088 | 0.5171 | 1.4422 | 1.1338 | 0.9240 | 0.5225 | 0.9529 | 0.6295 | 0.6674 | 0.3276 | 1.0045 | 0.5324 | 1.2944 | 1.8983 | 1.2422 | 1.0888 | 0.3662 |
pipecolic acid | 0.2322 | 2.8677 | 0.8153 | 0.7943 | 0.6058 | 0.1188 | 0.5283 | 2.0684 | 0.4410 | 0.7094 | 0.4730 | 2.8101 | 1.2475 | 0.1710 | 8.0791 | 0.7458 | 0.2151 | 0.1962 | 0.1647 | 0.8020 | 0.4698 | 5.0045 | 0.9424 | 0.4411 | 0.3348 | 3.2853 | 0.7337 | 0.2514 | 0.7381 | 0.1260 | 0.1944 | 1.1143 | 2.4338 | 0.7191 | 3.3420 | 1.0027 | 0.2259 | 0.9442 | 5.3303 | 0.1935 | 0.2070 | 2.3078 | 0.2304 | 0.3786 | 1.6261 | 0.1926 | 1.8128 | 1.1858 | 0.4518 | 0.4320 | 2.5638 | 0.6724 | 0.2934 | 0.6341 | 0.4131 | 0.3600 | 0.2646 | 0.1899 | 3.8650 | 5.9927 |
proline | 0.8523 | 0.6507 | 0.7472 | 1.1215 | 0.4172 | 0.4062 | 0.8563 | 0.7912 | 0.7006 | 0.8572 | 0.9152 | 0.9649 | 0.9416 | 1.2806 | 2.0496 | 1.2948 | 0.8018 | 0.6989 | 0.4685 | 1.0422 | 1.0821 | 1.9881 | 0.8522 | 0.9592 | 0.6998 | 1.1600 | 0.9231 | 1.0866 | 0.8699 | 0.6156 | 0.7916 | 0.7029 | 1.0471 | 1.0228 | 1.0094 | 0.9467 | 0.9834 | 1.0008 | 0.8175 | 1.1181 | 1.3863 | 1.0366 | 1.5947 | 0.8839 | 1.2320 | 0.7661 | 1.5347 | 1.1522 | 1.0715 | 0.7171 | 1.0603 | 0.9485 | 1.5914 | 1.4597 | 1.1722 | 1.3711 | 1.4073 | 1.2408 | 0.8779 | 1.0254 |
pseudo uridine | 0.9233 | 0.7703 | 0.8017 | 0.9413 | 0.9914 | 0.7293 | 0.5917 | 0.5962 | 0.7913 | 0.8454 | 0.8951 | 1.2585 | 0.9393 | 1.3145 | 0.9944 | 1.2510 | 0.5577 | 0.6692 | 1.1079 | 0.9728 | 1.2963 | 0.9073 | 0.9218 | 0.8873 | 0.9779 | 1.3945 | 0.8127 | 0.8973 | 1.0524 | 0.8463 | 1.0334 | 1.1997 | 0.9263 | 1.0541 | 1.0329 | 0.9317 | 1.0099 | 0.8114 | 1.0490 | 1.3595 | 1.1504 | 0.9844 | 1.1944 | 0.8028 | 1.1708 | 0.7743 | 1.0584 | 1.0260 | 0.9063 | 0.8313 | 1.0226 | 1.1958 | 1.1094 | 1.1964 | 1.2482 | 0.8843 | 1.8997 | 1.7314 | 1.5636 | 1.1014 |
pyrrole-2-carboxylic acid | 1.0226 | 0.7570 | 0.9670 | 0.7643 | 0.4872 | 0.6901 | 1.0194 | 0.5563 | 1.2171 | 0.8601 | 0.9546 | 0.6274 | 1.1512 | 1.1125 | 1.7399 | 1.0431 | 0.9431 | 0.8574 | 0.9327 | 1.1977 | 0.8841 | 1.6729 | 0.4768 | 1.0398 | 0.9138 | 1.0874 | 0.9435 | 1.1425 | 1.0121 | 1.6395 | 1.2087 | 0.5813 | 1.0623 | 1.0568 | 0.8664 | 0.8499 | 1.0184 | 1.1841 | 0.9594 | 1.5475 | 0.6817 | 1.0309 | 1.2254 | 0.8013 | 0.7403 | 1.1083 | 1.3509 | 1.1175 | 1.1794 | 0.8420 | 1.1234 | 0.9773 | 0.8616 | 0.8396 | 0.7016 | 0.8448 | 1.3802 | 1.0142 | 0.8657 | 0.9619 |
pyruvic acid | 1.0190 | 0.4900 | 0.8678 | 1.6816 | 0.3897 | 0.0390 | 0.8843 | 0.4687 | 0.0527 | 0.6392 | 0.4458 | 1.8270 | 0.9591 | 0.8028 | 3.4475 | 1.0757 | 0.9481 | 0.1912 | 0.2349 | 1.3014 | 1.1086 | 2.2638 | 1.2958 | 1.0685 | 0.5739 | 1.0920 | 0.7497 | 0.3775 | 0.8119 | 0.0187 | 1.6293 | 1.3729 | 0.5244 | 0.7894 | 1.0197 | 0.9609 | 1.7610 | 0.9236 | 0.8272 | 0.0187 | 0.4874 | 1.1668 | 2.4516 | 1.1112 | 1.9220 | 0.0522 | 2.7099 | 1.1510 | 0.4139 | 1.9150 | 1.8820 | 0.8355 | NA | 1.1491 | 1.0307 | 2.4390 | 0.9520 | 1.6746 | 0.8623 | 0.8062 |
quinic acid | 0.7407 | 0.5215 | 0.9637 | 1.3175 | 0.9426 | 0.6530 | 0.6167 | 1.3175 | 0.7684 | 0.9723 | 1.1797 | 0.5292 | 1.2004 | 0.7361 | 0.4707 | 0.6728 | 0.6645 | 0.9068 | 1.4883 | 1.0323 | 1.1777 | 1.0637 | 0.8803 | 0.9637 | 0.4730 | 0.6749 | 0.8441 | 1.6333 | 1.4445 | 0.5676 | 0.8422 | 0.7615 | 1.3937 | 0.9173 | 1.1060 | 1.1832 | 0.7949 | 0.7847 | 0.9091 | 1.1953 | 1.0430 | 1.3499 | 1.3152 | 0.7550 | 0.8884 | 1.1099 | 1.2806 | 1.4336 | 0.8376 | 1.6583 | 1.2405 | 0.9900 | 1.1953 | 0.7805 | 0.7465 | 1.5160 | 1.1560 | 0.8762 | 1.0868 | 0.7799 |
rhamnose | 0.5238 | 1.6740 | 0.7856 | 1.2336 | 0.8143 | 0.6247 | 0.7247 | 0.2394 | 1.1768 | 1.0445 | 0.8597 | 1.5091 | 0.8411 | 1.0816 | 0.6168 | 0.8934 | 0.6304 | 0.7784 | 0.7950 | 0.9431 | 1.3855 | 0.6037 | 1.2616 | 0.8853 | 0.8811 | 0.5124 | 0.7557 | 1.1913 | 0.8335 | 1.3970 | 0.6518 | 1.2611 | 0.6155 | 1.0264 | 0.8776 | 1.3028 | 1.0794 | 0.8525 | 0.8125 | 1.3144 | 0.8317 | 0.7741 | 0.9287 | 0.7941 | 1.2895 | 0.7155 | 1.4180 | 0.9110 | 1.0455 | 1.3294 | 0.9495 | 1.4169 | 2.1903 | 1.0947 | 1.1985 | 1.1135 | 0.7749 | 1.3577 | 0.9741 | 0.7016 |
ribonic acid | 1.0507 | 0.3257 | 0.8049 | 0.8419 | 0.9864 | 0.2890 | 1.0747 | 0.4175 | 1.7297 | 0.8399 | 0.7823 | 0.8213 | 0.5024 | 1.2388 | 0.5093 | 0.6253 | 0.8625 | 1.1286 | 0.7845 | 1.1183 | 0.7533 | 1.2525 | 0.7570 | 2.7943 | 0.4106 | 0.9382 | 0.6276 | 1.3175 | 0.3992 | 1.6287 | 0.5001 | 0.7845 | 0.7180 | 0.9370 | 0.9054 | 1.1445 | 0.3670 | 0.8244 | 0.4735 | 1.8948 | 0.9864 | 0.8029 | 0.4221 | 0.8488 | 0.8228 | 0.4955 | 0.8855 | 0.9982 | 0.8289 | 1.2999 | 0.7910 | 0.9395 | 0.3716 | 0.7754 | 0.9612 | 0.9543 | 0.3808 | 0.9853 | 0.4863 | 0.6010 |
salicylic acid | 0.0369 | 0.0356 | 1.9717 | 0.6266 | 0.0470 | 0.0282 | 0.2889 | 0.0310 | 0.0310 | 1.1764 | 2.3945 | 0.0669 | 0.3643 | 0.0548 | 4.3721 | 1.4336 | 0.0280 | 3.7396 | 0.0270 | 0.9935 | 2.1381 | 0.1125 | 0.0449 | 0.7245 | 0.0523 | 0.1295 | 1.0703 | 0.0346 | 0.0202 | 0.0196 | 0.0240 | 2.3151 | 0.0449 | 1.2312 | 0.7541 | 0.0420 | 0.0314 | 1.6934 | 4.1604 | 0.0442 | 1.4720 | 1.3303 | 0.0224 | 0.2960 | 0.1615 | 0.0194 | 0.0508 | 0.6891 | 0.3552 | 0.6839 | 4.5810 | 0.6106 | 0.8321 | 0.0611 | 0.1602 | 0.5154 | 0.1009 | 0.5638 | 2.8313 | 0.0558 |
serine | 0.9692 | 1.0599 | 0.9014 | 1.1572 | 0.8592 | 0.7553 | 0.8656 | 0.9158 | 1.1662 | 1.1366 | 0.9918 | 1.0949 | 0.9415 | 1.0409 | 1.3798 | 0.9465 | 0.9685 | 1.1563 | 0.7680 | 1.0166 | 1.0150 | 1.6679 | 1.2453 | 0.9836 | 0.9206 | 0.8420 | 0.8111 | 1.2400 | 0.8319 | 1.5603 | 1.5625 | 0.8776 | 1.1085 | 1.1066 | 1.0391 | 0.9488 | 0.9691 | 1.0312 | 0.7406 | 0.9736 | 0.7834 | 0.8306 | 0.9043 | 0.8355 | 0.7641 | 0.9771 | 1.3101 | 0.9670 | 1.1282 | 1.1229 | 1.0374 | 0.9307 | 0.8549 | 0.9154 | 0.9787 | 1.2326 | 0.8969 | 0.9594 | 0.8039 | 1.1796 |
stearic acid | 1.0602 | 1.0333 | 1.2023 | 0.9567 | 0.6883 | 1.4382 | 0.6724 | 0.8674 | 0.4748 | 1.0175 | 0.9573 | 0.7593 | 1.2505 | 0.9241 | 1.3801 | 1.0641 | 0.9331 | 0.5290 | 1.0878 | 1.0335 | 0.9783 | 1.1476 | 0.7862 | 0.9676 | 1.4131 | 1.0428 | 0.9554 | 0.8452 | 0.9798 | 1.0809 | 1.4958 | 0.9451 | 0.9794 | 1.0280 | 1.0172 | 0.9963 | 1.4731 | 1.0133 | 1.1261 | 0.5336 | 0.5601 | 1.0128 | 0.7177 | 0.9701 | 1.0138 | 1.0362 | 0.7812 | 0.9929 | 0.7608 | 0.9109 | 1.0029 | 1.0019 | 1.3154 | 1.0027 | 0.8712 | 0.7971 | 1.0081 | 0.9260 | 1.0699 | 1.0068 |
succinic acid | 1.0162 | 0.2777 | 1.1677 | 1.9798 | 1.4770 | 0.4059 | 0.7004 | 0.2350 | 0.7294 | 1.0036 | 0.6660 | 1.2156 | 1.3473 | 1.5686 | 0.4303 | 0.8966 | 0.2457 | 2.0172 | 0.8438 | 0.4803 | 1.3519 | 2.1149 | 1.6113 | 0.9635 | 0.2121 | 1.2268 | 0.9271 | 0.9954 | 0.2716 | 1.4496 | 0.3174 | 1.2634 | 0.9582 | 1.0485 | 1.3875 | 0.9840 | 1.5884 | 1.0496 | 0.4309 | 0.9827 | 1.4740 | 1.6159 | 2.0141 | 0.9424 | 0.5269 | 0.2106 | 1.3763 | 0.9683 | 0.6226 | 0.6317 | 1.1279 | 0.9496 | 0.2502 | 1.3130 | 1.5007 | 0.8346 | 0.3174 | 1.4137 | 1.4709 | 1.0864 |
sucrose | 0.6767 | 0.3047 | 1.0718 | 1.2245 | 2.0272 | 1.9510 | 0.5390 | 0.6269 | 2.4725 | 1.0529 | 0.7661 | 0.9296 | 0.5361 | 0.3633 | 0.6386 | 1.3991 | 0.9550 | 1.4237 | 1.2275 | 0.7990 | 1.2386 | 0.5332 | 0.8935 | 0.9452 | 0.7822 | 1.2421 | 1.2901 | 1.0058 | 0.5918 | 0.7207 | 0.1348 | 1.0077 | 0.8466 | 0.8547 | 0.3447 | 0.8430 | 0.7265 | 0.8151 | 0.5906 | 1.2948 | 1.6054 | 1.0693 | 0.5800 | 0.7669 | 0.8613 | 0.2754 | 1.4472 | 0.9670 | 1.8846 | 0.7851 | 1.0558 | 1.7675 | 0.5097 | 0.9741 | 1.6464 | 1.1454 | 0.6152 | 1.0619 | 1.3124 | 0.7207 |
sulfuric acid | 1.0252 | 0.3929 | 0.9249 | 0.7081 | 1.0877 | 0.9144 | 0.6519 | 0.7180 | 6.2617 | 0.5105 | 0.6063 | 0.6144 | 0.5760 | 0.4179 | 0.2965 | 0.7408 | 0.4554 | 1.6931 | 1.0037 | 0.9691 | 1.0230 | 0.8608 | 0.6394 | 0.7811 | 0.9412 | 0.3536 | 0.6458 | 1.5717 | 0.3858 | 2.1396 | 0.6465 | 0.5956 | 0.9644 | 1.5507 | 0.7269 | 1.1847 | 0.4179 | 1.3109 | 0.5258 | 5.0043 | 1.0930 | 0.8448 | 0.4179 | 0.7898 | 0.3489 | 0.6144 | 0.9251 | 0.8313 | 2.6671 | 1.7074 | 0.8716 | 1.2561 | 0.3215 | 0.4447 | 0.4679 | 0.6305 | 0.2858 | 0.5778 | 0.4179 | 0.4179 |
tagatose | 0.8460 | 1.7003 | 0.7374 | 1.3024 | 1.0700 | 1.5412 | 0.7193 | 0.4942 | 0.7496 | 1.5902 | 0.8145 | 1.1782 | 0.8554 | 1.6082 | 0.4104 | 0.8594 | 0.5402 | 1.5579 | 0.9255 | 0.8632 | 1.9147 | 1.6165 | 2.7536 | 0.8944 | 0.8439 | 0.6491 | 0.9632 | 0.6589 | 0.5863 | 0.2345 | 0.3853 | 1.5495 | 0.9046 | 1.0331 | 0.9165 | 1.2736 | 0.4083 | 0.7591 | 0.7723 | 0.3329 | 1.9683 | 0.9423 | 0.4774 | 0.7438 | 0.6840 | 0.8250 | 2.2447 | 1.0905 | 1.0344 | 1.2061 | 1.1684 | 0.9756 | 0.3811 | 1.0742 | 0.9192 | 1.1182 | 0.3350 | 1.3674 | 0.8376 | 0.3979 |
taurine | 0.6996 | 1.6817 | 1.1037 | 1.1674 | 1.3911 | 0.4622 | 1.1665 | 0.0262 | 1.2598 | 1.0945 | 0.6942 | 1.2478 | 0.4800 | 1.3143 | 0.0221 | 0.6871 | 0.9819 | 1.7147 | 1.0440 | 1.1965 | 1.4018 | 3.0447 | 1.7194 | 0.8761 | 0.8019 | 0.0234 | 0.5841 | 1.0509 | 0.0177 | 2.4509 | 0.0211 | 1.2129 | 1.4933 | 0.8811 | 0.8860 | 1.3066 | 0.0219 | 0.9524 | 0.9054 | 1.7528 | 1.2736 | 0.3823 | 0.0183 | 1.0533 | 0.4471 | 0.7412 | 2.0591 | 0.9335 | 1.7881 | 3.1339 | 0.8713 | 1.0062 | 0.0155 | 1.1044 | 0.7762 | 1.1258 | 0.0198 | 0.9686 | 1.6199 | 0.0305 |
threitol | 1.1000 | 0.9495 | 0.8608 | 1.1816 | 0.9455 | 0.8861 | 0.3925 | 0.1070 | 0.5388 | 0.9810 | 0.6527 | 0.6158 | 1.2433 | 1.1251 | 2.4734 | 1.5427 | 0.3301 | 0.2905 | 1.1713 | 0.7205 | 1.2455 | 1.3060 | 1.0505 | 1.0580 | 1.4559 | 0.2271 | 0.7031 | 0.8482 | 1.1132 | 0.3592 | 1.3245 | 1.7266 | 0.3539 | 0.8264 | 1.2365 | 1.0491 | 1.3232 | 0.7243 | 0.7548 | 0.3433 | 0.4978 | 0.8504 | 0.1321 | 0.8729 | 0.3702 | 1.1819 | 1.7431 | 1.0595 | 0.9768 | 0.7465 | 0.9315 | 1.2403 | 1.6520 | 1.8042 | 1.2255 | 1.0584 | 3.7556 | 2.4291 | 2.0997 | 1.3971 |
threonic acid | 0.2542 | 0.1745 | 0.9135 | 0.5284 | 0.8231 | 0.1356 | 1.5020 | 1.4098 | 1.7943 | 0.7288 | 0.2418 | 0.2428 | 0.8975 | 1.4256 | 1.0141 | 0.7209 | 0.5600 | 1.7041 | 0.6022 | 1.6212 | 0.6026 | 2.0281 | 0.3829 | 0.6187 | 0.3213 | 1.0325 | 0.5664 | 0.9676 | 4.1359 | 4.6883 | 0.6842 | 1.3882 | 0.6081 | 0.9077 | 0.6482 | 1.0141 | 0.3279 | 1.0864 | 0.6281 | 4.0585 | 0.0810 | 1.2007 | 0.3608 | 1.0743 | 1.3648 | 0.2186 | 1.2853 | 1.0506 | 0.6201 | 0.7166 | 1.0794 | 1.3075 | 1.1563 | 0.9123 | 1.2761 | 0.3885 | 2.7261 | 1.7825 | 4.0654 | 0.7757 |
threonine | 0.8570 | 1.5514 | 0.9602 | 1.1647 | 0.7906 | 0.7495 | 0.9289 | 1.3307 | 1.0244 | 1.1695 | 0.7271 | 1.1209 | 0.5915 | 1.1284 | 1.4376 | 0.8156 | 0.6982 | 1.1795 | 0.8477 | 1.0459 | 1.0760 | 1.9140 | 1.0301 | 0.9745 | 0.8784 | 0.9157 | 0.5771 | 1.1442 | 0.1058 | 0.8115 | 1.1837 | 1.1694 | 1.4223 | 1.0726 | 0.9598 | 0.9204 | 0.3917 | 1.1399 | 0.6452 | 1.2384 | 1.0599 | 1.2837 | 1.1099 | 1.0018 | 0.8849 | 0.8681 | 1.4507 | 1.0850 | 1.2964 | 1.0034 | 0.8223 | 0.8274 | 1.2856 | 1.0047 | 1.2415 | 1.2024 | 0.8913 | 0.7420 | 1.2648 | 1.1803 |
tocopherol alpha | 0.6857 | 0.6015 | 0.9290 | 1.0266 | 0.8821 | 0.7016 | 0.8206 | 0.6286 | 1.9745 | 0.8009 | 0.6496 | 0.6436 | 1.2994 | 0.9037 | 0.8537 | 0.9121 | 0.7935 | 1.7901 | 1.9105 | 1.0518 | 0.9582 | 0.9309 | 1.0920 | 0.9719 | 1.0220 | 0.5810 | 0.8371 | 0.9088 | 1.2891 | 0.7770 | 0.8079 | 1.1126 | 1.0733 | 0.9199 | 1.0006 | 1.1251 | 1.2571 | 1.0233 | 1.0319 | 0.8003 | 0.7855 | 0.9252 | 1.0843 | 1.2009 | 1.3590 | 0.5074 | 1.0987 | 1.0571 | 0.7598 | 0.8652 | 0.8189 | 1.2043 | 0.5901 | 1.1776 | 0.8716 | 1.0400 | 1.7961 | 1.2812 | 1.8228 | 1.0826 |
tryptophan | 1.2198 | 1.3488 | 0.9493 | 0.9503 | 0.6260 | 0.8215 | 0.7978 | 0.6579 | 0.8397 | 0.9284 | 0.7364 | 0.9704 | 1.2614 | 1.2282 | 1.1132 | 0.8828 | 0.9119 | 0.5636 | 0.7967 | 1.1176 | 0.9928 | 1.3657 | 0.9470 | 1.0229 | 0.8995 | 0.9881 | 0.9683 | 1.0069 | 0.8819 | 0.9795 | 1.2251 | 1.0983 | 0.6218 | 0.9911 | 0.9015 | 1.0770 | 0.8085 | 1.0964 | 0.8673 | 1.0369 | 1.0589 | 1.3366 | 1.0061 | 0.9515 | 1.1953 | 0.8761 | 1.0602 | 1.1067 | 0.8256 | 0.9759 | 0.9982 | 0.9361 | 1.0838 | 1.0796 | 1.0019 | 1.2046 | 0.7453 | 1.3192 | 0.8588 | 1.0793 |
tyrosine | 1.0730 | 1.2177 | 0.8767 | 1.0260 | 0.6672 | 0.7518 | 0.8187 | 0.6815 | 0.6810 | 0.8789 | 0.7749 | 0.8995 | 1.1849 | 1.0753 | 1.1197 | 0.8505 | 0.9916 | 0.5606 | 0.8252 | 1.0585 | 0.8681 | 1.3097 | 1.0009 | 1.0340 | 0.9173 | 1.1040 | 0.9971 | 1.0259 | 0.9565 | 0.8905 | 1.0270 | 0.9511 | 0.9488 | 1.0235 | 0.8566 | 0.9477 | 0.8880 | 1.1349 | 0.8406 | 1.1146 | 1.3244 | 1.2825 | 1.0930 | 0.9429 | 1.2284 | 0.7997 | 1.4792 | 1.1588 | 0.9662 | 1.0226 | 1.0184 | 0.8981 | 1.2523 | 1.1469 | 1.1442 | 1.0141 | 0.9496 | 1.3848 | 0.9366 | 1.1985 |
urea | 0.8987 | 0.6839 | 0.8114 | 0.8785 | 1.0232 | 1.0791 | 0.7495 | 0.9335 | 1.0392 | 1.0436 | 0.7711 | 1.0201 | 0.9583 | 0.7002 | 1.7443 | 1.0371 | 0.6328 | 0.5461 | 0.9587 | 1.0941 | 1.0498 | 1.3759 | 1.1417 | 1.0686 | 1.2489 | 0.6146 | 0.8410 | 0.8122 | 1.0064 | 0.6517 | 0.9997 | 1.1163 | 0.7108 | 1.0002 | 1.0531 | 0.9837 | 1.0028 | 0.8524 | 1.0289 | 0.8014 | 1.2405 | 0.8028 | 1.3266 | 0.8342 | 1.1403 | 1.5131 | 1.2619 | 0.9632 | 0.6683 | 0.8640 | 1.1105 | 1.0990 | 1.4463 | 1.3122 | 1.3960 | 1.3471 | 1.7180 | 1.4819 | 1.3212 | 1.0386 |
uric acid | 1.5071 | 1.2150 | 0.6780 | 1.1163 | 0.8586 | 0.4651 | 0.1984 | 0.6234 | 0.0124 | 1.1534 | 0.7715 | 1.8585 | 1.0268 | 1.7288 | 2.3207 | 0.8685 | 0.2949 | 0.5893 | 1.0130 | 0.8082 | 1.6402 | 0.9092 | 0.6657 | 1.0635 | 1.2058 | 1.6605 | 1.1116 | 0.6208 | 1.0557 | 0.0052 | 0.9016 | 1.3365 | 0.6564 | 1.0768 | 1.1564 | 0.8653 | 0.7433 | 0.7182 | 0.9786 | 1.3659 | 1.3860 | 1.3059 | 1.3206 | 0.6706 | 1.1654 | 1.6175 | 1.8139 | 0.7768 | 0.7588 | 0.5267 | 1.1691 | 1.1243 | 1.2928 | 1.7460 | 1.4179 | 0.6253 | 2.4067 | 2.0846 | 1.7165 | 1.3850 |
uridine | 0.7723 | 1.3863 | 1.0037 | 1.1735 | 1.0925 | 0.9117 | 0.7308 | 0.6706 | 1.8760 | 1.1285 | 0.6856 | 0.8614 | 0.8777 | 1.3788 | 0.7534 | 0.8928 | 0.6969 | 1.2206 | 0.9606 | 1.0256 | 1.1422 | 1.3863 | 1.1565 | 0.9527 | 1.3863 | 0.8212 | 0.7806 | 0.9606 | 0.8212 | 0.5726 | 0.7760 | 1.2790 | 1.2545 | 0.9165 | 1.1126 | 1.2147 | 0.6480 | 1.0576 | 0.6630 | 0.8551 | 0.8589 | 1.1641 | 0.9343 | 0.8958 | 0.8162 | 0.8891 | 1.2432 | 0.9701 | 1.0046 | 1.1603 | 1.1784 | 1.1398 | 0.8815 | 1.0435 | 1.0379 | 0.8212 | 0.7685 | 1.0906 | 1.3411 | 1.4089 |
valine | 1.5352 | 0.9896 | 0.8310 | 0.9309 | 0.6291 | 0.6998 | 0.7321 | 0.7667 | 0.8951 | 0.9123 | 0.9604 | 0.9423 | 1.2275 | 0.9406 | 1.6857 | 0.9187 | 0.8790 | 0.6607 | 0.6875 | 1.0500 | 0.9812 | 1.6746 | 0.9222 | 1.0960 | 0.7458 | 1.0543 | 0.9020 | 0.8836 | 0.7578 | 0.6561 | 0.9449 | 0.8511 | 1.1200 | 1.0401 | 0.9467 | 0.9679 | 1.0981 | 1.0899 | 0.8978 | 1.0124 | 1.0897 | 0.9151 | 1.3356 | 0.8608 | 1.2554 | 1.0434 | 1.1931 | 1.0796 | 0.8354 | 0.7937 | 1.0608 | 0.9419 | 1.5397 | 1.0392 | 1.4226 | 1.1350 | 1.2073 | 1.3457 | 0.7579 | 1.1165 |
xanthine | 1.0731 | 1.6407 | 0.9292 | 0.9875 | 0.8942 | 0.9798 | 0.9875 | 0.5832 | 1.6252 | 1.1370 | 0.8204 | 0.9564 | 0.8476 | 1.0886 | 0.9798 | 0.9043 | 1.0109 | 0.8942 | 0.9487 | 1.0507 | 1.1182 | 1.7885 | 1.1431 | 0.9767 | 1.2014 | 0.7115 | 0.7963 | 1.0148 | 0.6454 | 1.2597 | 0.6454 | 0.9875 | 0.9176 | 1.0161 | 1.0809 | 1.0212 | 0.5599 | 1.0201 | 0.9642 | 1.7690 | 1.3141 | 0.7309 | 0.7854 | 1.0311 | 0.9850 | 0.7854 | 1.2208 | 1.0253 | 1.2390 | 1.0912 | 0.9067 | 0.8869 | 0.6532 | 1.0089 | 0.8865 | 0.7115 | 0.8631 | 1.3122 | 0.8398 | 1.1664 |
xylitol | 0.7010 | 0.4493 | 1.5945 | 0.7768 | 1.0177 | 0.4980 | 0.6211 | 0.4330 | 1.0014 | 0.7748 | 0.5846 | 1.2450 | 0.5183 | 0.9256 | 0.5467 | 0.6788 | 0.6198 | 0.9527 | 0.6252 | 0.7802 | 0.9808 | 0.9906 | 1.0393 | 1.4203 | 0.4655 | 0.5494 | 0.6463 | 0.7741 | 0.6766 | 1.1638 | 0.6117 | 0.8079 | 3.0665 | 1.1874 | 0.7786 | 2.7943 | 0.6225 | 0.8904 | 0.5803 | 2.5360 | 1.0068 | 0.7578 | 0.6117 | 0.9673 | 0.7163 | 0.4763 | 1.2396 | 0.7681 | 0.6658 | 0.5990 | 0.9256 | 0.9217 | 0.6171 | 0.8945 | 0.9581 | 0.7226 | 0.5630 | 0.9933 | 0.5792 | 0.7632 |
xylose | 0.6117 | 0.7304 | 0.8958 | 0.8951 | 1.1174 | 0.7532 | 0.3381 | 2.2307 | 0.8301 | 0.8928 | 0.4659 | 0.7351 | 1.3600 | 0.5766 | 1.4521 | 1.0848 | 0.9813 | 0.4060 | 0.6649 | 1.2302 | 0.7096 | 0.8354 | 0.7963 | 0.7953 | 1.7327 | 1.5495 | 0.8269 | 1.0344 | 5.9082 | 0.8381 | 1.0689 | 0.7393 | 0.8876 | 1.0634 | 0.9267 | 0.5840 | 0.6488 | 0.9198 | 0.5954 | 1.0759 | 0.7264 | 1.7635 | 0.6716 | 1.1343 | 1.3456 | 0.7692 | 0.9204 | 0.9075 | 0.7610 | 0.3987 | 1.0326 | 1.4558 | 1.7398 | 1.0254 | 0.7341 | 0.5134 | 3.4233 | 1.0165 | 3.0668 | 1.1364 |
Factors:
F1 | Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:- |
F2 | Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F3 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- |
F4 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F5 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC |
F6 | Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
F7 | Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- |
F8 | Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma |
F9 | Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC |
F10 | Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- |
F11 | Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F12 | Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
F13 | Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- |
F14 | Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
F15 | Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
F16 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- |
F17 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F18 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC |
F19 | Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
F20 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- |
F21 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F22 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
F23 | Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
F24 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- |
F25 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma |
F26 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
F27 | Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
F28 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- |
F29 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F30 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC |
F31 | Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
F32 | Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- |
F33 | Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma |
F34 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- |
F35 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F36 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
F37 | Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
F38 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- |
F39 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma |
F40 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
F41 | Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
F42 | Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:- |
F43 | Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell |
F44 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- |
F45 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma |
F46 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC |
F47 | Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Squamous cell |
F48 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- |
F49 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma |
F50 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
F51 | Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell |
F52 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- |
F53 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma |
F54 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
F55 | Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |
F56 | Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:- |
F57 | Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC |
F58 | Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- |
F59 | Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC |
F60 | Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell |