Data for (Study ST001929)

(Analysis AN003137)

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

MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61
1,2-anhydro-myo-inositol NIST 0.7577 1.3127 0.7556 0.8715 0.7318 1.0151 0.8146 0.3766 0.7322 0.9128 0.7157 0.8652 1.0011 0.9902 0.9303 1.1266 0.8634 1.3419 0.8204 1.1367 1.0972 0.9916 0.9906 1.0349 0.9275 0.8406 0.8025 0.8944 1.1216 1.0532 0.6988 0.7537 1.2843 0.6952 1.1881 0.9701 1.2191 0.1952 1.0392 1.1828 1.1277 1.1551 1.0927 0.8560 1.1129 0.7312 0.8755 0.7323 0.8286 1.5214 0.9898 1.4782 1.1884 1.3281 2.0819 2.0855 0.6596 0.8737 1.1685 1.1982 0.8622
2,3-dihydroxybutanoic acid NIST 0.5458 0.8558 1.5505 0.2157 2.3975 2.4235 0.6740 2.0732 1.2365 1.3853 1.3163 0.5719 1.5064 0.7189 1.1038 1.0425 0.6094 0.7965 0.6214 0.7736 1.6839 0.8546 0.9611 0.9248 0.8322 1.2840 1.7523 0.8834 0.9935 1.3653 1.6479 1.3299 1.1147 1.2369 0.6414 1.2547 0.6040 0.7076 0.4885 0.5037 1.1309 0.9216 1.1630 0.9034 0.5473 0.9262 0.7027 0.4895 0.8083 1.4799 1.6135 0.7355 1.2393 1.2517 0.3211 0.3718 0.3789 0.7684 0.6000 0.5113 0.6529
2-deoxytetronic acid 2.5928 1.7084 0.9652 0.5169 1.0497 1.6811 1.7089 1.2032 0.6834 0.3478 0.9568 0.6988 1.2524 1.3812 0.8500 0.7939 3.7637 1.2659 0.7358 0.9450 0.9710 0.7312 0.9548 1.0838 0.8665 0.8830 0.8621 0.9501 0.9430 0.7637 1.2059 0.7893 0.8823 1.0368 0.8524 0.8435 0.6459 0.9025 1.1391 0.6945 0.8380 1.0193 0.9538 1.1445 0.8675 0.5032 0.8435 0.8134 0.7784 1.1516 1.0486 0.7488 0.6913 0.8606 0.3800 1.2345 0.7723 0.6988 0.7580 1.0246 0.7668
2-hydroxyglutaric acid 0.6521 0.2625 1.2671 0.8367 1.2921 2.3787 0.3283 1.4075 0.7959 0.9521 0.7630 0.8576 1.3802 1.4830 0.7628 0.7143 0.5555 1.1905 0.4671 0.6517 0.7028 0.7497 0.9365 1.0510 1.1569 1.1479 0.4396 0.6859 0.5239 0.6337 0.7360 0.7995 1.1930 1.1188 0.9962 0.7094 1.2148 1.3595 1.0172 1.0582 0.8238 0.9687 0.8525 2.3924 0.8453 0.8376 1.8674 1.6360 1.4449 1.1670 0.9669 0.4466 0.8200 0.3671 0.6240 0.4897 1.5677 1.2385 1.8956 1.7090 0.8101
3-(3-hydroxyphenyl)-3-hydroxypropionic acid nist 0.4985 3.4353 2.8805 1.2385 0.0265 0.0421 0.1012 0.0196 1.3968 0.2237 0.3415 0.3230 0.7786 2.8522 0.1215 0.7155 1.9673 1.0818 0.0529 0.8749 0.5714 0.9598 1.1432 0.5374 1.2281 1.0314 0.9524 1.0884 0.1081 0.1999 0.0642 0.3328 0.1140 0.5106 0.2293 0.1056 1.9647 2.5083 1.1703 1.0195 0.1598 0.6813 1.4761 1.0208 0.7504 0.1708 1.6811 1.8245 0.9166 0.9123 2.6769 3.2957 1.4207 3.5499 0.0239 0.4218 0.5381 1.4723 1.0451 0.3059 1.8444
3,4-dihydroxyhydrocinnamic acid NIST 0.3350 2.3934 1.1570 0.8542 1.8988 1.2850 1.5616 0.4761 0.3779 0.9384 0.7047 0.4889 0.4743 0.6968 0.3171 0.3181 4.3925 0.9103 1.2447 0.4265 0.4338 0.3919 0.4779 0.2837 0.4546 0.6645 0.2770 0.9628 0.7611 0.3065 0.2256 0.3067 0.4210 2.5901 0.7281 0.9350 1.4155 1.5821 1.5030 0.6626 1.9761 2.9956 4.1256 1.5565 0.3988 0.3106 0.3826 0.2072 0.9260 0.7090 0.3657 0.6303 0.5465 1.9635 0.2355 0.5420 1.4037 1.2992 0.9138 0.6110 2.2661
3-hydroxy-3-methylglutaric acid 1.2418 7.5981 0.8450 0.5100 0.5215 0.8327 0.6257 1.4480 1.3598 0.8695 0.8204 1.1126 1.1431 0.7318 0.7527 0.5446 0.8688 1.4562 0.4083 0.9421 0.7445 0.6034 0.7381 0.6842 1.1416 0.7668 0.7188 0.6704 0.4940 0.7236 0.9473 0.5204 0.8967 1.0348 0.6373 0.7121 1.3903 0.4977 1.3237 1.4986 0.4619 1.0445 1.0073 0.6987 0.8271 0.9998 1.1297 0.7307 1.0728 1.4759 1.0635 0.5498 1.3613 1.0028 0.2557 0.2494 0.7180 0.6112 1.0181 2.6257 0.7192
3-hydroxyphenylacetic acid 2.3751 1.7687 0.9046 1.3757 1.0355 0.7522 0.3894 0.0863 0.3856 0.4432 0.4714 0.5057 1.1892 0.4499 0.4066 0.4742 0.1514 0.3246 0.3220 1.1441 0.4299 0.1834 0.3149 0.3156 0.7458 0.1983 1.2154 0.5288 0.3118 0.4780 0.4271 0.3779 0.4004 0.2329 0.4125 0.1245 0.6815 1.6832 0.5411 1.6112 0.5815 0.1855 0.4181 0.2283 3.3330 0.7627 0.2798 0.2531 0.3254 0.7542 2.5498 1.2125 1.7897 2.7945 0.2431 0.4870 2.3341 6.2233 4.8909 2.6083 2.5757
4-hydroxybenzoate 1.3521 1.5597 2.2620 2.2344 0.8570 1.1887 1.3513 0.3735 1.0526 0.9733 0.7086 1.2636 0.8417 0.8030 0.7086 0.6613 0.4963 2.3850 0.5714 1.8971 0.4403 0.4208 0.2803 0.5191 0.8506 0.6602 2.2956 1.4626 0.6502 0.6310 0.6193 0.6774 0.9558 1.3521 0.5486 0.7456 1.2828 2.0120 0.9558 1.2825 0.7501 1.1949 0.9889 1.2213 0.9886 0.3835 0.6076 0.5397 0.6535 0.5135 1.4832 1.3744 1.4192 1.6352 0.2519 0.3092 0.7387 1.1851 0.6101 1.2836 0.6841
4-hydroxyhippuric acid NIST 5.0617 4.9451 2.9651 2.7544 1.0474 0.6471 0.3903 0.8463 0.8429 0.3964 0.2795 0.6163 0.8827 0.7444 0.4457 0.5910 0.8288 1.0670 0.3427 0.6631 0.6366 0.5567 0.7993 0.2412 1.2475 0.5076 1.6842 1.0502 0.3757 0.2041 0.2651 0.2673 0.6540 1.5014 0.3316 0.2282 1.0017 1.6062 0.6551 0.6249 0.6679 0.8656 0.4584 1.7039 0.8130 0.2619 0.5860 0.8589 0.5326 0.5661 1.4693 1.5046 1.8069 4.2881 0.1256 0.1178 1.2384 0.5713 0.9297 0.3519 0.4857
4-hydroxyphenylacetic acid 0.9300 0.6525 0.9000 0.6555 0.7970 1.1112 2.4253 1.7930 0.5522 0.7078 0.3085 0.5086 0.8875 0.4148 0.4553 0.4219 1.0939 1.3846 0.5322 1.0948 0.5402 0.7587 0.7243 0.4013 0.7226 0.5937 0.7230 0.4606 0.4174 1.0016 0.4946 0.9372 0.6394 3.4279 0.7824 0.5417 2.1210 1.9053 1.3090 1.3267 1.0502 1.4345 1.2011 2.6989 0.6153 0.4380 1.3047 0.8164 1.8819 1.4301 1.0347 0.9035 1.1279 1.2973 0.1830 0.2633 1.8285 1.6076 0.8333 0.8455 0.7491
5-hydroxy-3-indoleacetic acid 1.0736 1.3641 1.8428 1.1573 0.9289 1.3216 1.4589 0.9830 1.1810 1.3215 1.0356 1.1295 0.9701 0.7612 0.6579 1.0288 0.8374 0.7254 0.9868 0.4546 0.8491 0.5276 0.7570 0.5415 0.8290 0.9765 0.9353 0.7476 0.5922 0.6619 0.4607 0.8645 1.6425 1.2054 1.1436 0.9761 0.5227 0.8778 0.7397 0.9161 0.7737 1.0195 1.2987 1.4087 1.0545 0.6138 0.6823 0.7679 0.4702 0.6807 1.5870 1.4352 1.5436 1.6377 1.5718 0.2949 1.3438 1.1606 1.4329 1.2666 0.9693
aconitic acid 0.9430 1.2438 1.5897 0.6147 1.0601 1.4612 1.1180 0.8312 0.8107 0.7191 1.2764 1.1081 1.5683 1.0286 0.7652 0.8549 1.0328 1.2296 0.7261 0.6755 1.8088 0.6746 1.2405 1.0410 1.1098 0.8552 1.2396 0.9578 0.8785 0.9416 0.6908 0.8141 1.0757 0.9263 0.7802 0.5576 1.4356 1.1823 1.0638 1.0521 0.6200 0.7164 0.9143 1.0746 1.0345 0.5250 1.5526 1.5866 1.6984 1.9881 0.8537 0.7696 1.0833 1.0024 0.4917 0.3705 0.7033 0.7158 0.7741 0.8675 0.6749
adipic acid 0.6535 0.8507 0.8334 0.4123 0.6185 1.2507 1.0289 1.7065 1.1066 0.6055 1.0635 0.7031 1.0510 1.2201 0.3239 0.6288 0.5369 1.3416 3.2512 1.1892 0.8248 0.4660 0.6942 0.6355 1.0752 1.2840 1.0368 0.8775 0.4730 0.9013 0.4871 0.5542 1.9133 1.3326 1.5196 0.9208 0.5150 0.9180 0.6254 3.3162 0.5485 1.3475 0.8844 0.8441 2.3303 0.3646 0.3748 0.5951 0.8532 0.5419 0.8053 0.9121 1.6625 2.3988 0.2052 2.1243 0.4135 0.9517 0.6164 0.7810 0.6981
alanine 0.4453 0.3544 0.4519 0.8198 1.8031 1.1510 3.0359 2.7682 2.9075 0.3643 0.6147 1.3492 0.4430 0.7831 0.6077 0.4221 0.5098 1.6860 1.6886 0.4720 0.4622 0.6976 0.4661 1.1721 0.2204 0.8167 0.2827 0.4687 2.0366 2.4005 2.1562 0.9561 0.8863 0.9418 0.3479 1.6209 0.8229 0.1567 1.1419 0.7223 0.7012 0.9129 0.8909 0.6895 1.1095 2.0463 0.7545 0.5826 3.6346 0.2489 0.9672 0.6346 0.9278 1.3691 0.6856 0.3665 0.5009 0.5031 0.3777 0.5577 1.0847
alpha-ketoglutarate 0.2766 0.7874 1.0053 0.8531 0.6890 0.5770 0.5060 0.5871 0.6131 0.5108 1.3022 0.7794 0.5457 1.1169 0.5298 0.7750 1.0957 1.2695 1.1328 0.7944 2.2228 0.8372 2.0309 0.9951 1.4380 0.7243 0.8791 2.3136 0.2625 0.3948 0.9180 0.8972 0.4058 0.4980 0.8571 1.2161 1.2867 7.0781 0.4257 0.5611 2.2876 0.5351 0.8809 0.2757 0.8108 0.8606 1.0216 1.2572 1.9122 0.8663 0.6992 0.5964 1.1482 1.0432 1.2554 0.3670 0.8977 0.7839 0.9621 0.2704 0.2797
ascorbic acid 0.1691 1.9915 4.3314 0.1101 1.3268 0.2283 0.4706 0.6052 0.3558 0.6033 0.4952 0.5991 1.9297 0.2584 0.0448 0.7215 2.6405 1.6463 1.3813 0.1286 0.3097 0.3588 0.3853 0.2513 0.3884 0.0679 2.5871 3.5040 0.1095 0.2255 0.4276 0.2050 0.9507 0.0705 0.4179 1.4245 0.2177 16.2044 0.0843 0.1128 0.7535 0.2249 0.0683 1.7516 0.4972 0.0947 0.2277 0.3974 0.5629 0.3290 0.2967 0.4733 0.7998 0.2565 1.2598 1.8102 0.2877 0.2943 1.5836 0.2881 0.4023
benzoic acid 0.4454 0.8168 1.0912 0.2951 2.0408 2.4549 0.6678 1.1150 0.9834 0.7382 0.5156 0.6282 0.7004 1.2432 0.7706 0.7025 0.7108 5.5031 0.6767 0.9538 0.7053 0.4770 0.5118 1.1235 0.3611 0.6778 0.4982 0.5471 0.7100 0.6887 0.4582 0.6286 1.1685 1.3612 0.7676 1.0763 0.7922 1.3172 0.5519 1.9365 0.6589 1.0082 0.6867 1.7013 0.9815 0.5543 0.6532 0.4003 0.7370 0.6747 1.5555 0.8372 1.2470 1.5817 0.2867 2.5694 0.9527 1.4279 1.1086 0.8990 1.0665
catechol 1.2068 1.9582 2.9069 0.8038 6.6809 0.8279 0.5177 0.3332 0.2737 0.7274 0.5469 1.5526 1.6591 1.3352 0.3767 0.3897 0.7235 0.5944 0.5279 0.8150 0.5562 0.3755 0.5559 0.5176 0.5773 0.6268 0.6222 0.6897 0.8366 0.7742 0.3282 0.8712 0.4942 1.7527 0.4258 0.0602 1.5804 1.9372 0.6070 1.7240 0.5018 0.3682 0.8320 1.1154 1.1161 0.8751 0.4314 0.4760 0.5296 0.8123 0.7706 0.5383 1.2685 0.4326 0.2642 0.8512 2.7495 2.1278 1.1520 1.4532 1.6642
citric acid 0.8929 0.7675 1.2854 2.5353 1.0022 0.0217 0.9331 0.4715 1.0788 0.9678 1.5110 1.6684 1.0810 1.4503 0.7551 0.7539 1.0562 0.9871 0.3575 0.3416 1.8027 1.0876 1.4411 1.5444 1.4000 1.4530 0.6383 1.0427 1.1418 1.3583 1.2897 0.9291 0.7311 1.0681 0.7062 0.5502 1.5672 1.0806 1.4957 1.2805 0.4503 0.8939 1.0544 1.1203 1.1095 0.6343 0.5279 1.0563 0.4817 0.6884 0.6124 0.8959 0.6132 0.7959 0.6840 0.7489 1.0208 1.0082 1.0943 0.7715 1.2116
conduritol-beta-epoxide 0.2982 0.3831 0.4841 0.5108 0.2323 0.3249 0.2087 0.1884 0.9947 0.0977 0.1065 0.1427 0.6943 0.3099 0.1081 0.1747 0.4239 0.1586 0.2221 0.1873 0.6231 0.8180 0.5781 NA 0.1808 0.4124 0.2280 0.1749 0.5064 0.4958 0.1941 0.3308 0.2719 0.9274 0.3838 0.1864 1.0049 0.5649 0.1271 0.3566 0.3326 0.6714 0.1054 2.8481 0.1509 0.0340 0.2031 0.1769 0.2658 0.3035 0.1989 0.1652 0.2916 17.3035 0.9965 0.5681 0.4943 13.1597 6.7168 0.1994 0.1978
creatinine 0.6041 0.3128 0.5633 0.0352 0.9096 1.0882 0.8133 1.2729 2.5772 0.3516 0.2378 0.1970 0.3764 0.9950 0.2717 1.1159 0.4899 0.2495 0.9507 0.3985 0.5043 0.5756 0.2886 3.1632 0.2662 1.2822 0.0261 0.0423 1.6535 1.9494 0.5990 0.7837 3.7545 0.7685 0.5213 3.8431 0.3400 0.6592 0.2673 0.5943 0.1338 2.1631 0.1877 1.2670 0.9623 0.8492 0.8201 4.2924 1.3040 0.3880 0.6268 1.7564 0.8518 4.6747 0.5550 1.1707 0.2152 1.3072 0.5298 0.9270 0.3245
dehydroascorbic acid 0.0786 1.9005 0.1728 0.0196 0.7086 0.1387 0.3234 0.4342 0.8856 0.5829 1.2330 1.2843 0.6284 0.8830 0.0532 0.4474 1.6430 1.0756 1.8018 0.0604 0.8709 1.2399 0.5620 1.1975 1.2437 0.0360 1.7602 3.3791 0.1045 0.4971 0.3345 0.7282 2.1016 0.0298 1.7932 2.1260 0.6582 0.3683 0.3785 0.1353 2.1619 0.4508 0.7354 1.4320 1.6070 0.0139 1.6343 1.4788 1.7684 0.9331 0.9032 1.7727 2.5493 0.4981 2.3261 1.2201 1.1078 1.2185 1.5475 0.6363 1.1051
deoxypentitol 1.8036 2.0068 0.5767 0.7766 0.7360 2.7343 1.6649 1.3277 0.6113 1.0137 0.7245 0.6864 1.1590 0.9950 1.0627 0.6388 1.1931 0.8450 1.1426 0.9698 1.1403 0.6879 0.8207 0.8948 0.8850 1.0898 0.6745 0.6502 1.2645 1.1488 0.7458 0.7509 1.3960 1.0464 1.3295 0.6521 1.2105 0.2349 2.3298 0.5974 1.0136 0.7995 1.1339 0.5480 0.5221 0.7245 1.0790 1.0485 0.9920 1.1537 0.4174 1.3388 0.8837 0.9601 0.3076 0.3626 0.6729 0.3328 1.7631 1.3145 1.4134
diglycerol 0.3281 1.0821 0.1828 0.4911 0.6142 0.5593 4.0402 1.2899 1.1264 1.1762 1.2647 0.6792 0.5095 0.3940 0.6682 2.6373 0.3513 2.2490 0.1767 0.3620 1.6367 1.1865 0.6202 1.0728 1.1428 0.4778 0.2546 1.5234 0.5777 0.2101 0.5127 0.4597 2.6233 0.5734 0.3028 0.1376 0.1812 0.3128 0.2404 0.3466 1.5119 0.9990 1.5950 2.3696 1.4513 0.3241 1.8455 1.6592 1.8510 2.1851 1.9022 0.2442 2.3323 1.9823 0.3761 0.1340 0.2734 0.4691 0.5684 1.3788 0.9721
erythritol 1.3163 1.5735 0.3841 0.6222 0.8362 1.5370 0.8544 1.1057 0.6970 1.5291 0.6908 0.8078 1.1648 1.5073 1.7077 1.1502 0.7234 0.6235 0.9694 1.2390 1.1383 1.0410 1.1743 1.0393 0.7703 1.1562 0.7443 0.6914 0.8893 0.7465 0.7270 0.7997 0.9296 1.1398 1.0724 0.7011 2.3559 0.2363 1.7913 1.2003 0.7692 0.9593 1.5056 0.3488 1.0689 1.0155 1.0677 0.7368 0.8575 1.2144 0.7717 1.2762 0.8073 0.9094 0.4428 0.3551 0.9639 1.3558 1.0253 1.1543 1.0109
erythronic acid lactone 0.5805 1.2450 0.8618 0.4529 0.9186 0.6172 0.6326 1.0670 1.0925 0.5880 0.6773 0.8687 0.9787 0.6294 0.8341 0.7453 0.8905 1.7900 1.3099 0.9867 0.6985 0.3950 0.9457 0.8506 1.2025 0.7012 0.9835 1.6443 0.9309 0.5423 0.6204 0.7416 1.3237 0.7724 1.6937 1.9452 0.9479 1.8718 0.8804 1.1047 1.4630 0.5093 0.9346 2.4433 0.8857 0.6587 0.4992 0.7809 0.8256 1.0191 0.9856 0.7788 1.9016 1.1409 0.9224 0.3727 0.9176 1.3514 1.9638 1.3195 0.7634
fructose 1.8623 2.0521 0.1967 0.3772 0.4960 0.1840 4.8843 1.7717 0.5413 0.4260 0.2384 0.3637 0.1423 0.5900 0.1869 0.2608 2.9268 1.8379 6.1080 0.1512 0.3494 0.3842 0.1150 0.1454 0.1101 0.2341 0.2728 0.1278 0.1026 0.4452 0.3853 1.5351 0.2099 3.3644 0.2596 0.2300 0.6391 0.0905 5.6157 1.4425 0.5721 0.3301 1.7081 0.3742 0.3749 0.4344 0.2216 0.2432 0.1105 0.1759 0.1286 0.2296 0.2644 0.8902 9.1501 0.8977 0.1640 1.3352 0.2593 0.8528 0.6265
fucose 1.2507 0.9338 1.2641 1.1525 0.8111 0.5994 1.1581 0.8835 0.5880 0.9327 0.5160 0.6090 0.8321 1.0193 1.9596 1.0707 0.8391 0.6446 0.6087 1.0784 0.5792 0.4775 0.6073 0.8304 0.6167 1.6715 0.7185 0.4773 1.0734 0.7755 0.9745 0.9346 0.8520 1.4328 0.8880 0.6230 1.2450 0.6203 1.1993 1.2058 0.4666 0.6055 0.7135 0.6430 0.9738 0.9251 2.8467 2.5149 2.8141 1.8769 0.7801 1.1821 0.8063 1.5553 0.3963 0.4294 0.7568 1.1042 0.9251 1.1553 0.9748
fumaric acid 0.5766 0.4176 1.3121 0.3566 0.6968 1.8198 1.0562 0.9952 0.6668 0.7036 1.4518 0.5939 1.0286 0.7236 0.8138 1.1816 0.8007 0.7131 0.8601 1.1909 1.1029 0.9003 0.7498 0.7602 1.0679 1.2114 0.8824 0.7588 1.0236 1.1297 0.8468 1.0930 1.4737 1.1280 0.9561 1.2350 1.7838 0.8593 1.5039 1.1033 0.6863 1.2114 0.9722 1.1327 0.7365 0.6217 1.1144 2.2031 1.5307 1.4818 0.6692 1.0028 1.0934 0.8538 0.5371 0.7091 1.0681 1.4423 0.8732 0.7886 0.7425
galactonic acid 0.6540 1.0632 0.3482 0.7629 0.5748 1.8149 0.5633 0.3895 1.3055 0.9586 0.5777 0.8818 0.4397 0.7532 1.2570 1.1179 1.0636 0.5531 1.3558 0.4516 0.2526 1.1048 0.3837 0.8843 0.9391 2.2701 1.1307 0.9030 0.6278 0.8747 0.9147 1.0271 0.2695 2.5572 0.8996 0.6433 0.8492 0.2862 0.7972 1.9511 0.8707 1.2504 0.3372 0.4952 1.2228 1.4316 0.3633 0.5012 0.2464 0.4282 0.0980 1.6060 0.3325 2.2302 1.7534 2.9101 0.2649 2.4245 2.9825 1.7793 1.0197
galactose 0.9121 0.1840 0.0243 1.1694 0.3036 0.0663 0.4859 0.3440 0.2988 0.4391 0.1762 0.1899 0.0643 0.2693 0.0554 0.2427 0.4301 0.1986 0.3495 0.0432 0.0464 5.3004 0.0959 0.5628 0.1325 0.9558 0.3212 0.1280 0.2476 0.3751 0.3694 0.4131 0.2076 1.0232 0.2939 0.1744 0.2440 0.0120 0.5683 0.4387 0.1469 0.3780 0.4782 0.0564 0.4690 0.9579 0.2209 0.2524 0.2956 0.3613 0.0329 0.3188 0.0598 0.1963 17.4551 19.5827 0.0262 0.2947 0.3692 0.4827 0.4079
gluconic acid 2.6645 1.1834 0.1357 2.6424 0.6393 0.8624 0.9177 0.6725 1.0989 1.1690 0.4492 0.9093 0.1631 0.8377 0.7743 1.2158 0.5579 0.4044 1.5647 0.1132 0.0800 1.2120 0.3233 1.0237 0.7339 2.7671 1.0960 0.7690 0.2988 0.8017 1.0517 1.1243 0.6827 2.0657 1.0041 0.5058 0.2547 0.0882 1.2206 0.8114 0.8097 1.2528 1.0928 0.1934 1.4817 1.9942 0.4565 0.2800 0.2650 0.6252 0.1295 1.7766 0.7726 0.7088 2.1459 4.2682 0.0913 0.9662 1.3468 2.1745 1.2785
gluconic acid lactone 2.1095 0.8143 0.5156 1.8381 0.4698 0.3470 0.7248 0.4143 0.9446 1.0864 0.3785 0.9328 0.5629 0.6782 0.7402 0.7552 0.5060 0.2098 1.2193 0.2997 0.8705 0.3631 1.0882 0.5787 0.8361 2.1636 1.0399 0.7326 0.7040 0.7541 0.8522 1.0073 0.6947 1.8001 1.2816 0.3234 0.8304 0.4397 1.2451 0.4888 0.5661 0.7047 0.8193 0.4945 1.4227 1.3711 0.8214 1.0324 0.9274 1.8352 1.0019 1.3904 0.8469 2.2706 0.8497 4.7217 0.5912 1.3038 1.2239 1.4818 1.6819
glucose 0.2730 0.0619 0.0135 0.4054 0.1101 0.0470 0.1778 0.1521 0.0975 0.1181 0.0710 0.0476 0.0250 0.0358 0.0248 0.0515 0.1218 0.0874 0.1355 0.0393 0.0230 1.9991 0.0422 0.1847 0.0545 0.3278 0.0921 0.0636 0.0916 0.0990 0.1161 0.1247 0.0542 0.3108 0.1114 0.0476 0.0796 0.0179 0.1762 0.1988 0.0697 0.1566 0.1437 0.0317 0.1489 0.3218 0.0835 0.1100 0.1536 0.1249 0.0123 0.1188 0.0595 0.0658 32.5514 19.8976 0.0232 0.1130 0.1627 0.1628 0.1775
glyceric acid 0.7160 1.1806 1.8884 1.0360 1.5270 0.9235 1.0212 1.0719 0.8747 0.5926 0.9882 2.1771 1.3216 0.5518 0.6767 0.4574 0.5521 1.1745 1.2421 1.1676 0.4147 0.5774 0.9078 0.8408 1.0143 0.3701 1.5436 0.9659 0.7833 0.7840 0.8778 0.6045 1.5910 0.9865 0.4780 1.0729 1.2306 1.5717 1.0045 1.0986 1.1294 1.0810 0.8576 2.7404 1.1362 0.7367 0.6182 0.5435 0.7840 0.9864 1.3617 0.9248 0.6836 1.4599 0.4333 0.5207 1.5111 0.8657 0.9929 0.5675 1.2062
glycerol 0.8030 0.8806 0.7688 0.5782 0.9441 0.7162 0.6170 1.3895 1.1621 0.7050 1.0341 0.6587 1.0490 0.6437 1.0152 1.6076 1.3712 1.0838 1.2003 0.8702 0.8612 0.6341 0.8877 1.2354 1.3637 0.9305 0.7755 1.2403 1.0732 1.3206 0.8355 0.6811 1.0975 1.2139 1.0939 1.0911 0.6381 0.8564 0.6531 0.8037 1.1251 1.1963 1.0536 1.4446 1.1081 1.0645 1.4051 0.9218 1.5427 1.3317 1.5679 1.3048 2.0636 0.3925 0.1767 0.1066 1.4936 0.9997 0.9595 0.5996 0.7569
glycerol-3-galactoside 0.8921 1.3727 0.9466 0.4756 0.2263 0.2679 0.9760 5.0453 0.6275 0.7808 0.6724 1.0404 0.4499 0.3395 2.3615 4.6488 0.6178 0.7268 2.0037 0.4073 0.7933 1.5624 0.8821 0.9807 0.4317 0.7325 3.7171 0.3050 1.0713 0.2703 1.6876 1.3527 0.7782 0.2933 0.5647 0.5123 0.2599 0.0669 0.8570 1.4560 1.5084 0.3467 0.6246 0.2250 1.0206 0.6608 0.3244 0.3248 0.2722 1.6234 0.0887 0.7943 1.3234 1.1434 0.2008 0.3377 0.0539 0.9669 2.1823 2.5885 0.9357
glycerol-alpha-phosphate 0.7625 1.8239 1.0051 0.7163 1.0216 0.1307 0.6911 0.8346 1.4104 0.8210 0.7651 0.5799 1.2804 0.6550 1.4873 1.8291 0.9829 0.9427 1.5411 0.9743 1.2823 0.8605 0.5037 0.4466 0.8823 0.8214 1.5797 0.8695 1.3198 1.6177 1.5193 1.5542 0.9901 0.8488 1.2703 1.0284 0.5371 0.7726 0.8631 1.1700 1.4273 1.4633 1.6342 0.7260 1.3439 1.5497 0.9071 0.9217 0.7189 1.3705 0.8154 1.5384 1.0693 1.1373 0.3921 0.2291 0.6103 0.3692 0.1641 0.7249 0.8950
glycine 0.4875 0.1787 0.4465 0.8951 1.1519 1.2180 0.7270 0.8009 3.6529 0.7417 3.7800 0.9632 0.5209 0.5382 0.7783 0.6100 0.9247 2.2571 0.7710 0.8052 0.4685 0.5456 0.2848 0.8171 0.4046 0.8794 0.5241 0.4275 4.0233 3.0150 2.3799 2.1618 0.5136 0.7654 0.5908 2.2412 1.2096 0.5380 1.0524 0.8378 1.0504 1.0559 0.8480 0.6183 0.5722 1.4229 0.8927 0.6261 0.8777 0.6173 0.7194 0.4980 0.5859 1.3395 0.2335 0.1594 0.5783 0.6374 0.3433 0.5869 0.8080
glycolic acid 0.5502 0.8691 2.3529 0.6414 2.3618 2.8571 1.1782 0.8263 2.4716 1.0080 1.2714 0.8512 0.8625 0.3809 0.7110 1.2198 1.5750 2.6125 1.0059 0.4149 1.1602 0.9132 1.0389 0.7813 0.5100 0.4682 1.4555 0.7540 0.4796 2.1923 1.7904 2.5991 1.5116 0.4202 0.9682 1.0393 0.4114 1.1924 0.3538 0.6691 0.7864 1.0648 1.4191 0.8822 1.1596 0.3415 0.6628 0.4261 0.5673 0.8170 0.6101 0.3442 0.9215 0.8095 0.2606 0.6610 0.3765 0.6515 0.2854 0.5032 0.7194
hexitol 1.1825 1.4178 1.1933 1.9164 0.6941 1.3160 1.0736 0.9819 1.4678 1.0702 1.1269 1.0426 1.8805 1.0876 0.5134 0.4075 0.4363 0.6539 0.6639 0.3915 0.5989 0.7709 0.6525 0.4101 0.5664 0.6532 0.4916 0.5515 0.4727 0.5240 0.6185 0.4261 0.7943 0.7372 0.8039 0.6929 1.4397 0.9739 1.5087 2.0575 0.7906 0.7646 0.7725 1.3745 0.8839 0.5320 1.0171 0.7660 0.8797 0.8845 1.7195 1.1697 1.8839 3.5246 0.3640 0.3608 1.2276 1.9194 2.3544 0.7316 0.8166
hexuronic acid 0.8174 1.6345 3.0300 1.2372 1.1484 3.1567 0.9827 0.5112 0.5018 0.2867 0.5426 0.6054 1.4361 0.6024 0.5777 0.4138 1.7511 1.2728 1.1143 0.6771 0.3096 0.4324 0.2166 0.3326 0.2495 1.2684 1.7539 2.4736 0.8366 0.3806 0.4635 0.3853 0.7898 0.8831 0.3630 1.0881 0.2460 10.9938 0.6358 0.6076 0.7285 0.4175 0.4360 1.2759 0.5785 0.6791 0.3756 0.3969 0.3536 0.3492 0.2187 0.5675 0.7252 0.4769 1.4718 1.7836 0.2082 0.4561 1.1944 0.8018 0.4957
hydroxyproline dipeptide NIST 2.1630 1.2629 0.9186 1.2695 2.2620 2.0527 5.2482 0.8162 0.3665 1.2070 0.0828 3.7791 0.4542 0.5248 0.0930 0.4160 1.7538 1.0160 0.1570 1.9488 0.5380 0.3601 0.2343 0.0612 0.7421 0.2399 2.0771 1.6229 0.3663 1.0001 0.3798 0.2811 1.4591 0.4742 0.3235 0.2669 0.9671 1.0102 0.3457 0.9044 0.1556 0.3432 0.1315 1.6332 1.8447 0.2848 0.4680 0.5816 1.3159 0.5193 0.5362 0.5901 1.2104 1.1456 1.7705 2.2479 0.7260 0.8610 1.2149 0.6229 1.3510
hypoxanthine 0.9420 0.9604 0.6283 0.8106 0.7938 0.5213 0.7338 1.0631 0.8363 0.9697 0.6845 0.8750 0.6554 0.8398 0.2641 0.6344 0.9632 0.4450 1.0896 1.4426 1.6201 0.6834 1.8072 1.2407 0.8759 1.7589 0.3342 0.7252 0.9037 0.7460 0.6584 0.6097 1.7267 0.8794 1.1966 1.9005 0.6950 1.0560 0.5487 0.6710 0.3133 1.6370 0.4827 2.1419 0.9464 4.1423 1.2187 2.5838 1.5673 0.4288 1.2702 1.2520 1.2625 0.5733 0.2019 0.3081 0.5659 0.8539 0.8253 0.8277 0.8067
indole-3-acetate 0.9283 0.4830 1.4015 3.0519 1.0294 1.8024 2.0264 0.9196 1.3699 1.0012 0.9199 1.2722 0.7354 0.4143 0.2657 0.3656 0.5876 1.0271 1.0309 0.7302 0.6916 0.4796 0.5692 0.4932 0.6248 1.1638 0.6806 0.5300 0.7686 1.0178 1.1311 1.0001 2.0641 0.5837 1.2836 1.1975 0.8266 1.6621 0.6663 0.9705 1.2166 0.6614 1.0809 2.3951 1.0689 0.7984 0.4637 0.9729 0.8225 0.6279 1.2145 0.9434 1.0453 1.4529 0.4075 0.6200 1.3831 0.9557 0.6033 1.1778 1.3209
indoxyl sulfate 1.4365 0.8687 0.9345 0.3799 2.1435 2.8670 2.2570 1.1132 1.0010 1.1471 0.2942 1.1502 0.9487 0.5474 0.5926 0.6198 1.3348 1.0714 0.4472 1.6294 0.7225 0.4324 0.4615 0.7259 1.2009 1.4417 1.4410 0.6123 1.0534 1.0030 1.0955 1.3671 0.6039 1.3779 0.6026 0.3891 0.6199 1.3174 0.6921 1.1707 0.4595 0.7991 0.7043 0.8278 0.8537 0.6843 0.4973 0.2410 0.5144 0.5029 2.2196 1.6711 1.7230 2.2926 0.1102 0.1633 1.0580 0.9914 0.7759 1.4803 1.3154
isocitric acid 0.8245 1.2492 1.1166 1.1245 0.9921 0.2731 0.9240 0.9460 0.9048 0.8072 1.1065 1.2353 1.3738 1.1499 0.9424 1.0457 1.0825 1.1875 0.8573 0.7063 1.6480 0.8148 1.1638 1.0857 1.3933 1.1519 1.0296 1.1221 0.9914 1.0062 0.8219 0.7630 1.0240 1.0448 1.0363 0.6705 1.2036 0.9976 0.7485 0.8424 0.6571 0.8485 1.0370 0.9193 1.2689 0.6455 1.4479 1.2343 1.5056 1.9183 0.8806 1.0276 1.0634 0.9018 0.4773 0.4317 0.8266 0.7559 0.9375 1.0258 0.7808
isohexonic acid 1.8049 0.4015 0.3934 2.3021 0.5559 0.5778 0.3515 0.5541 0.8842 1.6857 0.5426 0.8057 0.1703 1.1722 1.1109 0.9158 1.0004 0.3527 1.0275 1.6890 1.1722 0.8328 0.7693 0.7208 0.7611 2.7677 0.2212 0.6829 1.6327 0.7443 1.5894 0.5405 0.5065 2.6223 0.9622 0.4906 0.7313 0.1992 1.3221 0.7046 0.3771 0.7557 1.3062 0.3858 1.0007 1.3640 1.5584 1.4431 1.0567 1.6905 0.4117 0.9525 0.4328 0.3506 0.5032 0.9399 1.2887 0.9062 2.1820 2.5118 1.3104
isothreonic acid 1.1885 1.5745 1.0059 0.6218 1.0242 1.4193 0.9187 1.0847 0.6732 1.3174 0.8192 0.8324 1.2935 1.2103 1.5869 1.3002 0.7939 0.9845 0.9259 1.1670 1.1849 0.8250 1.1991 1.0170 0.8479 1.1043 0.7693 0.8103 1.0087 0.9340 0.8340 0.8466 1.1783 1.1800 1.1153 0.8360 0.7327 0.7623 0.8175 0.9003 0.8989 0.9878 1.1278 0.8310 0.9471 0.6899 1.0917 0.7899 0.8470 1.1914 1.0229 0.9327 1.0534 1.0929 0.3943 0.2771 0.9552 1.1287 1.1459 1.6488 1.2998
lactic acid 0.5368 1.1295 2.9332 0.5048 0.9421 1.5520 1.1427 1.3618 0.9842 0.5945 0.6570 1.2606 3.5266 1.1118 0.8821 1.5794 0.6473 1.4147 0.9623 0.8810 1.0205 0.4854 0.8262 0.5439 0.8700 0.4936 0.7460 1.1792 0.4519 0.8804 0.3758 0.7682 1.0397 0.7137 0.6279 0.5302 0.4756 3.9779 0.0594 1.8715 0.5155 1.3346 0.7570 1.2744 0.9158 0.3787 0.8137 0.6277 0.5686 0.8203 1.4142 0.6762 1.8982 1.0749 0.4867 0.7222 1.6049 0.6367 0.5909 0.6654 0.6821
levoglucosan 0.3392 0.5619 0.2905 0.2300 2.8567 0.2029 0.6384 0.3469 0.0638 0.5965 0.1956 0.0361 1.0446 4.9211 0.4097 0.5448 0.8247 2.9989 0.2592 1.2478 0.1220 0.2525 0.5434 0.4690 1.0157 0.1549 1.3226 1.2140 2.0389 0.5679 0.5573 3.8163 2.5973 0.3425 2.9412 1.1369 0.4571 0.7512 2.4668 3.2425 0.5527 0.2091 1.3103 0.4520 0.8390 0.1727 0.2496 0.0748 0.1958 0.2234 0.0997 0.1205 1.4296 0.7798 0.0956 0.1963 0.3936 0.0408 4.0998 4.4600 0.3853
lysine 1.5565 0.6400 0.7817 0.5232 7.7945 2.8476 1.7067 1.0895 1.6090 0.4100 0.5702 0.3352 0.7737 0.3828 0.7374 1.0512 1.7877 3.5867 0.3669 0.1210 0.1254 0.5431 0.0566 0.4407 0.3897 0.9901 1.1371 0.5869 2.5558 5.3757 1.9300 2.4813 1.5141 1.1395 0.7414 1.0224 0.3530 0.1584 0.3024 0.3994 0.7524 0.6908 0.9944 0.9777 0.8884 0.6629 0.3226 0.1395 0.2995 0.3234 0.4150 0.2191 0.4926 1.0289 0.3614 0.5385 0.1580 0.2482 0.1910 0.1631 0.2180
lyxitol 2.1613 1.1368 0.4216 1.3548 0.7332 0.6360 0.8277 0.9793 0.6823 0.1664 0.4712 0.8530 0.5009 1.1538 0.2747 2.7730 0.6721 0.3673 1.0391 1.8376 0.8942 1.4550 0.1426 1.1475 0.8182 2.1408 0.8692 0.6285 1.2733 0.9983 0.7077 0.7972 0.7360 2.2403 0.9473 0.4589 1.1169 0.0911 1.8413 1.2144 0.5225 0.8666 1.7440 0.1382 1.1966 1.6802 0.6238 1.0469 1.2477 1.8821 0.3687 1.2565 0.4382 0.9039 0.4744 0.4561 1.3246 0.9876 1.2238 2.0002 1.0565
malic acid 0.8964 0.9574 1.2125 0.8330 0.6203 0.9312 0.7915 0.6537 1.2196 1.3441 1.3369 0.8082 1.4547 1.3951 0.8883 0.6570 0.7352 0.7290 1.0022 0.6947 2.0264 0.6575 1.2711 0.9717 1.1085 0.8148 0.7962 1.4924 0.9450 0.3934 0.6441 0.7018 0.8706 1.4471 0.6661 0.9059 1.3932 0.9388 1.7603 0.8773 1.5381 1.2773 0.9636 0.8740 0.7371 0.5741 1.6769 2.0378 1.2983 0.9593 1.3355 0.4687 0.7557 0.8024 0.7838 1.0561 1.2173 0.6289 0.8225 0.8072 0.5421
myo-inositol 0.5239 0.5277 1.2631 1.7920 0.7368 1.3628 1.0841 0.6566 0.7051 0.6465 0.4888 0.5382 1.8514 1.0068 0.7023 0.9471 0.4762 0.5484 0.5253 0.4049 1.4562 2.6266 1.3581 1.0241 0.4781 0.5616 0.3871 0.5592 0.8445 1.0273 1.2139 1.1555 0.5220 0.4081 0.3723 0.3269 0.7290 0.4027 0.9088 0.8234 0.7705 0.9791 0.8145 0.9826 1.0884 0.6633 0.4222 0.3924 0.4583 0.5232 0.6224 0.5356 0.6090 3.1999 4.1196 6.0314 0.4506 2.3540 1.1212 0.4050 0.4830
N-acetylaspartic acid 1.0992 1.7397 1.4867 1.1180 0.9768 1.3344 1.1501 1.1514 0.9362 1.0204 0.8898 0.8688 1.1655 1.0317 0.6968 0.9332 1.0536 1.1366 0.8110 0.8224 1.0165 0.6869 0.8441 0.6826 1.0179 1.0808 1.4656 1.1102 0.7287 0.8723 0.8638 0.9120 1.2197 0.9620 0.9290 0.8735 0.8534 1.1538 0.6087 1.0676 1.3093 1.0602 1.3872 1.3768 1.3631 0.9844 0.7833 0.6943 0.7190 0.6896 0.8542 1.6335 1.3211 1.1461 0.3597 0.3466 0.7312 0.8675 1.1655 1.1606 0.6753
n-acetyl-d-hexosamine 2.2294 1.0251 0.2208 1.0826 0.5623 0.2635 0.9831 1.2542 0.9512 1.4588 0.8500 1.3440 0.1498 0.8365 2.6367 1.3319 0.5848 0.1595 0.6604 0.8129 1.0428 1.2622 1.0424 1.2802 0.6105 2.3292 0.3903 0.6760 1.8911 1.2334 1.2213 1.1218 0.3553 1.9937 0.7530 0.5904 0.7138 0.0815 0.1775 1.1960 0.7193 1.3815 1.4061 0.3349 0.9169 1.4882 1.3083 0.6732 0.9277 1.4601 0.2139 0.8258 0.4500 0.4780 0.5075 0.8906 1.9732 1.6761 0.7921 1.8238 1.3929
N-acetylmannosamine 1.0982 0.5476 0.1881 0.3047 0.2537 0.4953 0.3179 0.4529 0.2945 0.7024 0.3300 0.7902 0.1956 0.3574 0.5039 0.3794 0.2432 0.1071 0.3142 0.3300 0.2236 0.2964 0.1991 0.3556 0.3344 0.4789 0.2614 0.1673 0.6070 0.3353 0.2387 0.2688 0.1814 0.5457 0.3053 0.1951 0.4973 0.0050 2.7537 0.3827 0.2726 0.2700 0.6965 0.1374 0.9327 0.3930 0.2994 0.2982 0.2995 0.4583 0.2098 0.5950 7.0369 0.4453 0.1972 0.2850 0.3401 0.4491 0.2479 0.5131 29.7840
N-carbamylglutamate 0.4231 0.6876 0.9783 0.7179 0.8746 1.7625 1.0989 0.5444 3.4422 3.4629 1.9577 2.8340 1.0670 0.2958 1.3005 1.6160 0.9332 0.7742 1.0662 0.3976 0.9060 0.8502 0.8972 0.6336 0.8123 0.7256 2.6541 0.6016 1.1884 0.9153 0.7349 2.3479 1.3542 0.7285 0.7070 0.5132 0.2015 0.7350 0.5111 1.1411 0.9265 0.7438 0.9324 0.6183 0.4638 0.6407 0.7605 0.4320 0.5602 1.4844 0.7231 0.6254 1.2024 1.2010 0.6935 0.7050 0.4097 0.4763 0.3511 0.5652 1.0914
oxalic acid 0.7280 0.4635 1.3213 0.4878 0.4159 0.6950 0.6036 0.5933 1.6869 0.8129 0.6869 0.1612 1.7605 0.7983 0.9092 1.4625 0.5138 1.2553 0.7377 1.1493 0.9692 0.5576 1.0060 0.4792 0.8399 1.4960 0.6160 1.3878 0.7664 0.4868 0.9660 0.3580 0.7172 1.8373 0.5252 1.1607 0.8134 3.3414 0.5625 0.2012 1.1926 1.7080 0.7447 3.5188 0.5052 0.2753 0.4695 0.8416 1.1250 0.4105 1.2786 0.7161 1.8140 1.2272 0.5911 0.2618 0.9270 1.8270 1.6631 1.0271 2.5458
oxoproline 0.7177 0.8447 0.9639 0.7287 1.0868 1.4161 1.2446 0.8246 1.1566 1.0758 1.0627 0.7697 1.5065 1.1792 0.9321 0.7939 0.8241 1.2930 0.8270 0.8471 0.8868 0.5848 0.8681 0.5506 0.8796 1.0136 0.7982 0.8225 1.2505 1.4094 1.1714 1.2222 1.5390 2.1486 1.0682 1.1005 0.9447 0.9611 0.9122 1.0844 1.0405 1.2353 1.0536 1.2923 1.1424 1.0403 1.0719 0.9665 0.9603 1.0168 1.0386 0.8496 1.0979 1.1602 0.1971 0.3435 0.7680 0.8002 0.7633 1.0005 0.8501
p-cresol 0.2006 0.1129 3.3920 0.6903 2.0323 2.9846 2.6077 0.1890 0.9508 2.2747 0.8071 2.8490 0.5147 0.3300 0.3613 0.4770 1.5378 0.8734 0.0621 2.3673 1.6394 0.3363 0.7895 0.7371 0.6017 0.1657 1.3536 0.4356 0.4888 0.6047 0.5874 0.5429 0.2893 0.4170 0.9166 0.1726 0.6303 3.0804 0.7958 1.8146 0.1869 0.5325 0.3443 0.8972 1.4230 1.0602 0.5362 0.5702 0.7754 0.1529 1.7217 1.1477 1.4969 0.9376 0.4309 0.7338 1.6856 1.4385 0.2917 1.1519 1.4710
phenol 0.4468 0.9498 0.7417 0.7263 0.3605 1.1394 0.3615 2.7066 1.1342 1.1449 0.6083 1.5706 0.5876 0.2494 0.3843 0.4254 2.1394 0.5621 0.3899 0.7801 0.8993 0.2368 0.5355 0.3870 3.4497 1.6189 4.4882 1.9462 0.3101 0.3315 0.3333 0.6320 2.0062 0.3279 0.5727 0.2602 0.9935 0.9414 0.2982 1.5662 0.7745 0.9659 0.7302 0.7494 0.4557 0.4852 2.5830 0.5799 1.7173 3.2116 1.3080 0.6915 2.2458 2.1500 0.0977 0.1410 0.5597 0.5047 0.3540 0.6939 0.4576
phosphate 0.5476 0.9010 0.4037 0.1587 0.5542 0.7048 0.4376 1.4479 1.0419 0.5760 1.3903 0.3106 1.3524 0.7002 1.9745 1.7379 0.5936 0.7495 0.8659 1.9572 0.7408 1.1344 1.1855 1.1756 1.6040 1.3668 0.9361 1.3797 1.1439 0.7693 1.0051 0.6407 0.4030 0.8748 1.0423 1.6669 0.8318 1.1947 0.9309 0.7367 1.7681 1.6536 1.5244 1.0465 0.7281 1.4838 1.1728 1.1874 0.5422 1.1338 1.5283 1.0034 0.8318 0.4729 0.3903 0.4137 1.3744 0.7853 0.9389 0.8651 0.9862
pinitol 3.5329 1.0130 0.6361 1.7668 0.5570 0.7385 0.7608 0.8347 0.7954 0.7280 0.7081 1.5050 1.2830 0.7606 0.6882 0.5898 0.7384 0.7616 0.8585 0.6786 4.2145 0.5294 0.7904 0.5947 1.2141 0.7076 0.6947 0.5487 1.0194 0.8961 0.7409 0.5915 6.4560 0.7778 0.6266 0.7706 0.3640 0.6214 0.4155 1.3663 0.8640 1.3618 0.8946 0.7673 0.5868 0.9101 0.7126 0.6651 1.1321 0.7957 1.1473 0.5686 1.2746 0.4490 0.6092 0.2342 1.4704 0.6430 0.3832 0.7691 0.8862
pseudo uridine 1.1663 1.4579 1.0299 1.0725 0.9482 0.0133 1.0988 1.0248 0.9503 0.9306 0.8316 1.2075 1.0232 1.0910 1.0192 1.0700 0.9239 0.8538 0.9804 1.0361 1.2393 0.9403 1.0451 0.7449 1.1133 1.1711 1.1258 0.9624 1.0410 1.1551 0.7179 0.8158 1.6017 0.9754 1.1234 1.0072 0.7985 0.6205 0.6777 1.1430 0.9735 1.0038 0.9491 1.0367 1.2472 0.6315 1.0201 1.0586 1.0869 1.2088 1.2214 1.2557 1.2722 1.0026 0.3477 0.2877 0.9807 1.0315 1.1450 1.3799 1.1108
p-tolyl glucuronide 0.1356 0.1712 2.3861 0.8804 6.2422 2.9347 8.6129 0.0962 0.5877 1.3260 0.3626 1.8447 0.3988 0.3555 0.3772 0.7108 0.9186 0.4568 0.0560 1.2063 1.2619 0.4829 1.0758 0.8366 0.6727 0.3351 0.9316 0.2672 0.3834 0.6383 0.4655 0.2106 0.3310 0.3682 0.6700 0.1843 0.6790 0.9745 0.7849 1.4697 0.2210 0.3738 0.0551 0.6142 1.7432 1.0233 0.9605 1.0429 1.7978 0.1437 1.0953 1.0857 0.6384 0.6368 1.2771 1.0745 1.3618 1.1750 0.2233 0.6672 0.7059
pyrogallol 0.3086 0.5576 14.5986 0.7463 0.1339 0.9843 0.2756 0.4580 0.2626 0.1668 0.1751 0.1856 0.7751 1.0185 0.1896 0.3925 0.3099 0.8075 2.2590 2.3540 0.4767 0.6133 2.4231 0.4165 3.4696 1.5127 0.1321 0.2347 0.2227 0.1406 0.1947 0.1444 1.9956 2.7750 0.9783 0.3571 0.7929 0.9266 0.4580 0.9038 2.1327 0.3535 0.2918 0.3149 3.7701 0.1979 0.1823 0.1877 0.2619 0.5578 0.4339 1.0606 1.0128 0.6024 0.0492 0.1050 2.2397 0.1756 0.2407 0.2730 0.4288
quinic acid 0.5505 2.2618 0.7676 0.0757 1.4215 0.2152 0.6552 0.3214 0.4507 0.1601 0.1346 0.1474 1.1273 2.1734 0.0714 0.2947 1.9378 2.2707 0.2951 0.1826 0.1448 0.0784 0.0966 0.0878 0.2755 0.0641 0.0807 0.1080 0.2703 0.1328 0.1383 0.2362 0.1208 1.2669 0.0760 0.0728 1.6545 1.5761 2.1311 2.6684 0.9697 0.9731 1.1221 0.8291 1.6422 0.9892 2.5954 0.7856 1.2135 1.4463 1.3634 1.3503 0.6370 0.6900 2.6769 1.0800 1.3834 1.0526 5.3041 5.9480 0.1529
ribitol 1.7770 0.7520 2.0783 1.1020 0.8145 3.1499 1.2837 1.3841 0.5583 1.0847 0.2841 0.6921 0.4040 0.4995 1.4464 0.8711 0.6759 0.1091 0.6730 1.1941 0.7793 0.7759 0.7215 0.9893 0.5277 1.4499 0.5974 0.2431 1.1622 0.7443 0.5276 0.4516 0.7552 1.5785 0.8706 0.6299 0.9226 0.4554 1.1685 1.0492 0.4984 0.6025 0.4919 0.3054 0.9671 1.0356 3.0948 2.2343 2.3884 3.3203 0.5863 0.7256 0.5093 0.9073 0.3232 2.0761 0.8036 0.6564 0.7663 0.8237 0.6497
ribonic acid 1.5027 1.8444 0.5788 1.1340 0.7595 0.7298 0.4696 0.6496 0.7773 1.2869 0.7612 1.0533 1.7210 1.5349 0.8943 0.9405 0.8050 1.0320 1.1673 1.1640 0.9560 1.1078 1.0466 1.0342 0.7100 1.2556 0.8914 0.9236 0.8154 0.7367 0.4062 0.4485 1.3393 1.5283 1.1350 0.8263 0.5479 0.5761 0.7500 0.9410 0.8648 0.8828 1.0510 0.7451 1.3664 1.0111 0.9717 0.9851 1.1637 1.5628 1.1568 1.1797 1.1673 1.7760 0.4160 0.2432 1.3115 0.9019 1.2328 1.7512 0.4773
ribose 0.8431 1.1865 0.9745 0.9232 1.0463 0.8208 0.9886 0.8938 0.7208 1.1309 0.8737 1.1215 1.0688 0.9915 1.1147 0.9970 0.7139 1.1934 0.9307 0.7029 0.9330 0.9549 0.8356 0.9338 0.7314 0.8780 0.7927 0.6755 0.7137 0.9385 0.8510 0.7220 1.3002 1.1212 1.0113 0.8205 1.0056 1.1578 0.7427 1.0729 0.7006 0.7948 1.2115 0.8530 1.2498 0.6253 1.1092 1.0998 0.9322 0.9891 0.8288 1.1641 1.0717 1.1511 1.4451 3.5327 0.9190 1.0058 0.9167 1.1144 0.8561
saccharic acid 1.9234 0.7275 0.3720 2.4346 0.5257 0.5465 0.3324 0.5240 0.8362 1.3024 0.5132 0.7619 0.1611 1.2628 1.0505 0.7209 0.9461 0.3336 0.8089 1.8229 1.1086 0.9506 0.7275 0.6816 0.7198 2.2849 0.2092 0.6458 1.8047 0.7038 1.3067 0.4195 0.4790 2.9048 0.9099 0.4639 0.7938 0.1884 1.4817 0.6663 0.3566 0.7147 1.2352 0.3649 1.1012 1.5349 1.3041 1.3647 0.9993 1.7868 0.3894 1.4310 0.4093 0.3316 0.4759 0.8888 1.2187 0.8570 2.3182 3.0015 1.5594
sorbitol 2.4248 0.5845 0.1132 3.5183 0.2067 0.4389 0.3689 0.2319 0.1271 0.8798 0.2141 0.5506 0.2602 0.5249 0.4910 0.1818 0.4270 0.3028 0.2057 0.5628 0.1158 2.6465 0.2619 0.1572 0.1923 0.4419 0.5669 0.1544 0.3635 0.1057 7.5173 9.2290 0.1654 0.4094 0.4377 0.1826 1.0763 0.2030 1.5255 0.4640 6.3446 0.1691 1.1137 0.1805 0.3409 7.6290 0.5583 0.2614 0.7653 0.5408 0.1188 0.3891 0.1527 0.3721 0.1982 1.7381 0.0405 0.1415 0.4484 0.2572 0.4082
succinic acid 0.5279 0.8906 1.2991 0.6600 0.7256 12.3114 0.5453 0.7871 0.5702 0.7125 0.8771 0.5753 1.2115 1.2233 0.7625 0.5693 0.5699 0.7743 0.2888 1.1721 0.6680 0.4418 0.5044 0.7395 0.8874 0.7818 0.7921 0.8059 0.7233 0.6430 0.6517 0.6688 0.5076 0.6067 0.5655 0.3522 1.4917 0.9122 1.3188 1.1294 0.5755 0.8890 1.0272 1.1685 0.4658 0.5097 0.6271 1.1960 0.8685 0.7836 1.4338 0.8392 0.8879 0.7586 0.5244 0.8262 1.3049 1.1223 1.8185 0.5421 0.5856
sucrose 1.7954 2.2278 0.6727 0.4054 1.2864 0.2588 9.1523 3.8035 0.8147 0.6303 0.5105 0.4971 0.1859 1.3235 0.2880 0.2079 1.2882 1.2657 2.2301 0.5940 1.3585 0.4832 0.8269 0.4720 0.4462 1.7140 0.3664 0.7667 0.9582 0.6856 0.4001 0.7890 0.4278 1.2197 1.3101 0.3643 0.3284 0.1198 1.6197 0.5848 1.0281 1.1278 1.0334 0.6143 0.3538 0.5678 0.8485 1.1529 0.6803 1.0088 0.2981 0.7807 0.9224 0.1872 1.2663 0.0404 0.4073 0.1718 0.7294 1.9999 1.1011
tagatose 7.4719 1.3783 0.0862 0.3535 0.4783 0.3100 1.1161 1.5795 0.3351 0.8308 0.4488 0.9727 0.6852 2.4627 1.7114 0.6426 1.5740 0.4434 2.0077 1.9607 0.6833 0.8548 0.3430 0.8708 0.3675 1.0188 0.4621 0.2577 2.1357 0.5880 0.8774 1.2365 2.3510 0.6209 1.7719 1.9528 0.6561 0.0324 1.1028 0.4308 0.2237 0.3217 0.4613 0.1534 0.9723 0.5556 0.4956 0.2752 0.6765 1.2503 0.4668 1.6774 0.1853 0.5019 2.2837 0.2123 0.6765 0.6674 0.6736 2.2473 0.5588
tartaric acid 3.8360 1.6477 0.0666 0.0636 0.0137 0.0831 0.0388 0.0620 0.0969 4.0180 0.0658 0.3421 5.7243 1.2439 0.1170 0.1107 0.0909 0.1384 0.0918 4.7527 0.0909 0.0447 0.0436 0.1207 0.0276 0.0941 0.0157 0.0442 0.0518 0.0447 0.0167 0.0888 0.0445 0.0980 0.0610 0.0323 6.7757 0.5011 3.8242 1.4303 0.0257 0.0855 0.0667 0.0720 0.1168 0.0849 0.5485 0.0408 0.0272 0.0586 0.1087 2.7902 0.1532 10.0002 0.1018 0.0074 0.1329 10.1920 0.0395 0.2400 0.0528
threitol 1.8881 1.2626 0.1043 0.6063 0.5353 0.7480 0.4373 0.7180 0.3998 4.6613 0.4417 1.3259 0.4879 0.9690 5.1486 0.5616 0.4465 0.8232 0.5716 0.8291 0.4946 0.4824 3.5602 0.6197 0.4848 0.7233 0.7309 0.4032 0.8571 0.5459 0.5613 0.3837 0.5714 0.9906 3.2732 0.4648 0.8626 0.0964 0.9608 1.2706 0.3722 0.7188 0.8028 0.1169 1.0341 0.6570 3.2325 0.8527 1.0355 1.2767 0.4453 1.7571 0.3420 0.5262 0.2548 0.2732 0.7363 0.8245 2.0287 1.3272 1.0816
threonic acid 1.2407 1.8499 1.3695 1.2128 0.7589 1.1170 0.6875 0.8435 0.7321 1.2609 0.7983 0.7856 1.3977 1.1332 1.5159 0.9044 0.6358 1.1668 0.5959 0.6761 0.8041 0.6055 1.1652 0.7435 0.7984 0.6806 0.6142 0.6799 0.7857 0.8233 1.2610 0.5899 1.3124 0.6862 0.9586 0.8410 0.7902 1.3492 0.8041 1.2314 0.8019 0.7079 0.8199 1.9533 0.8842 0.5942 0.6987 0.6941 0.6761 0.8992 1.5733 0.9736 1.2408 1.9771 0.2866 0.2355 1.1999 1.5886 1.3042 1.5731 2.1108
threonine 0.3746 1.3330 1.0567 0.8205 1.0956 0.7616 0.5937 1.2541 1.7671 1.3766 2.3726 0.8176 1.1681 0.7051 0.8076 0.6998 0.8453 1.3300 1.2087 0.6527 0.4453 0.4777 0.1255 0.6032 0.9601 0.6845 0.8665 0.6309 2.3974 2.7726 1.3336 1.6092 1.3236 1.2158 0.8959 2.6713 0.9843 0.5761 0.3075 0.6409 2.0292 1.4832 1.6911 0.7934 0.4553 2.9039 0.7516 0.3181 0.5354 0.4394 1.3153 0.8323 0.5472 0.7551 0.3511 0.2415 0.7204 0.6709 0.7404 0.5225 0.3399
tryptophan 1.7565 0.5836 1.0529 0.9633 1.9123 1.5973 2.1200 1.5803 1.5020 0.9299 0.6980 0.9883 0.2394 0.3747 1.1307 1.1964 1.2147 1.0613 1.0193 0.7621 1.0167 0.8698 0.8120 0.4886 0.3635 0.6732 0.6595 0.5003 1.6144 3.6816 1.5217 2.7222 2.1765 1.5548 1.2350 1.2576 0.7100 0.1370 0.6077 1.3082 0.7087 1.1537 1.1211 0.6458 1.0491 0.4931 0.4426 0.6450 1.0537 0.6745 0.3637 0.4930 0.7062 1.4078 0.2697 0.7105 0.5237 0.8111 0.2618 0.4764 0.3954
tyrosine 0.9815 0.7916 1.4986 0.8226 1.6793 1.4078 1.4490 1.0659 1.1573 0.8146 0.9053 0.9239 0.5929 0.5344 1.2376 1.2386 1.1632 1.8744 1.1314 0.6779 0.9331 0.8995 0.6426 0.4407 0.7209 0.8039 1.1890 0.8933 1.6345 2.4775 1.6283 1.9850 1.3353 1.1149 1.4316 0.9473 0.8409 0.2796 0.7566 0.9476 1.4031 0.9833 1.3898 1.0530 0.7900 0.6340 0.7031 0.5229 0.8373 0.8399 0.6481 0.5461 0.9049 0.7444 0.4578 1.3232 0.7191 0.6077 0.4678 0.8143 0.7602
UDP-glucuronic acid 0.9176 1.0136 0.7375 0.2221 3.5716 4.2317 3.1137 2.9691 0.6239 0.4890 0.4541 0.7390 0.7623 0.8306 0.5872 0.5176 0.6799 1.0849 0.6907 1.4756 0.7160 0.6134 0.4019 0.6916 0.7140 0.9506 0.7374 0.6831 0.6031 0.5823 0.3851 0.9817 0.5424 1.7280 0.6277 1.0739 0.7380 0.3062 0.8956 0.8222 0.5458 2.9260 0.4200 3.2000 1.2245 0.5528 0.7641 0.6151 0.8646 0.9837 0.7385 0.9501 0.6756 0.6696 0.4071 0.3851 0.7466 0.8386 1.0901 1.2625 0.6338
uracil 1.0804 1.4900 1.1390 0.6720 0.4060 6.1400 0.2855 0.8823 0.6877 1.4006 1.2372 0.7450 0.4498 0.3842 0.3729 0.3722 0.8176 0.8514 0.8791 1.6722 1.0850 0.9240 1.2936 0.8903 0.8710 1.3292 0.3778 0.7456 0.5280 0.4947 0.4788 0.5181 1.4310 1.3532 1.9538 1.1220 0.9889 1.3137 0.6441 0.6344 1.0496 1.5188 0.7840 1.1123 0.5464 0.4617 0.9513 1.1983 1.3052 0.6685 2.1157 1.4079 1.4522 1.0473 0.1767 0.1171 0.9388 1.1854 0.6697 0.6414 0.7093
urea 1.0232 0.2635 1.6978 0.7547 1.1748 1.8431 1.2613 0.1509 1.5843 1.3887 0.1582 1.3447 0.1319 1.4855 0.1337 0.1496 3.0258 1.2212 1.4555 0.1634 1.1727 0.1306 0.1877 0.1144 0.1726 0.1863 0.3134 0.1847 0.0223 2.6997 0.0836 1.0638 2.1327 3.4444 4.0301 0.1198 0.0160 0.1748 0.0736 1.5651 0.1420 0.0428 0.1793 3.3292 1.4344 0.0671 0.1574 0.1038 1.3225 1.3545 1.8792 1.6459 2.4306 1.6885 0.0238 0.0394 0.0583 2.9227 2.3674 1.3954 0.1160
uric acid 1.5768 0.7816 1.4311 1.2187 0.8333 1.2447 0.6214 1.3260 0.9504 1.6262 0.5809 1.0687 0.8453 0.6306 0.9102 1.0049 1.4646 0.7388 3.4670 0.7283 1.0527 1.2351 1.7094 1.1313 0.5321 0.6780 1.8479 0.8106 0.9479 1.2370 0.6415 0.6722 1.6043 1.0900 1.4912 1.2129 0.5254 1.0531 0.3860 0.6602 0.5910 0.9750 0.6174 0.9221 0.8806 1.1295 0.7575 0.9692 1.9407 1.0711 1.0876 0.6073 0.8355 0.6220 0.2119 0.4055 1.1449 0.7161 0.5486 0.6978 0.7005
xanthine 1.2610 0.7500 1.1395 0.7336 0.8193 0.6642 0.4228 1.4685 0.9472 1.2961 0.6922 0.9134 0.8353 0.7907 0.3970 0.6644 1.4519 0.6860 1.2929 0.7697 1.3291 0.9134 2.0088 0.5156 0.6985 0.6864 0.7534 0.6231 0.8314 1.2612 0.5708 0.5042 1.8408 0.9232 1.7138 1.4845 0.7047 1.1636 0.4770 0.7749 0.7482 1.5138 0.5905 1.4505 0.9468 1.2899 1.4713 2.8167 3.4416 1.0385 1.0279 0.8954 1.1950 0.5835 0.2374 0.2828 0.9396 0.7227 0.5436 0.8254 0.6647
xylitol 1.1874 0.4919 0.0612 0.8220 0.4981 1.8714 1.3434 0.8961 0.3457 0.5661 0.2718 0.2871 0.1864 0.6831 0.7655 0.5103 0.4053 0.2531 0.5393 0.7781 0.4903 0.5443 0.3333 0.4651 0.4460 1.2545 0.3751 0.3188 0.5849 0.3653 0.5665 0.4911 0.3772 1.2216 0.6260 0.2989 1.5757 0.0799 1.1279 0.4464 0.2790 0.3449 0.4690 0.0872 0.3505 0.7542 9.1411 6.5133 8.1913 5.7254 0.2374 0.5357 0.1460 0.4617 0.1824 0.2558 0.4072 0.3946 0.6929 0.7667 0.3117
xylose 2.3135 1.8450 0.2951 1.6091 0.5905 1.1926 0.7685 0.5821 0.3530 2.0268 0.7732 1.4963 1.9472 2.7070 1.4125 0.5373 0.9365 1.4621 0.5929 0.9968 0.4685 0.3859 0.6807 0.6262 0.7039 0.7710 0.9755 0.7098 0.9204 0.7832 0.6511 0.6097 0.6708 1.3610 0.8968 0.4086 1.8463 0.4276 1.9912 1.0539 0.5108 0.4819 1.1340 0.6904 1.0706 1.1500 0.5892 0.5572 0.6943 0.7521 0.3899 1.3337 0.3089 1.1575 0.4562 0.6665 1.4944 2.5792 1.3299 1.2223 1.0512
xylulose NIST 0.8231 1.1816 0.5165 0.9720 1.2525 1.8263 1.8040 1.4942 0.9276 1.0929 0.9632 1.1005 0.7005 0.8825 0.9851 0.9514 1.0032 1.0785 0.9302 0.7716 1.2793 0.9606 1.2790 1.1400 0.9564 0.9718 0.8320 0.8905 0.9197 0.8983 0.7657 0.7975 1.2421 0.8783 1.4471 0.9446 0.9779 0.3392 0.9230 1.3220 0.9351 0.9825 0.9749 0.6538 1.1352 0.6397 1.3024 1.0649 1.0406 1.3789 1.0601 1.1737 1.0227 1.1958 0.4555 0.2561 1.0119 0.9405 0.9903 1.0535 0.7096
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Subject:B105u3.1_001 | treatment:NC1
F2Subject:B105u4.2_002 | treatment:NC1
F3Subject:B126u2.2_003 | treatment:NC1
F4Subject:B126u7.2_004 | treatment:NC1
F5Subject:B134u1.2_005 | treatment:C0
F6Subject:B134u2.2_006 | treatment:C0
F7Subject:B134u4.2_007 | treatment:C0
F8Subject:B134u5.2_008 | treatment:C0
F9Subject:B169u1.2_009 | treatment:C0
F10Subject:B169u4.2_010 | treatment:C1
F11Subject:B169u5.2_011 | treatment:C0
F12Subject:B169u6.2_012 | treatment:C1
F13Subject:B185u2.2_013 | treatment:NC1
F14Subject:B185u5.2_014 | treatment:NC1
F15Subject:B199u6.2_015 | treatment:NC1
F16Subject:B199u7.2_016 | treatment:NC1
F17Subject:B234u1.2_017 | treatment:NC1
F18Subject:B234u6.2_018 | treatment:NC1
F19Subject:B248u1.2_019 | treatment:NC0
F20Subject:B248u2.2_020 | treatment:NC0
F21Subject:B311u2.2_021 | treatment:C1
F22Subject:B311u5.2_022 | treatment:C1
F23Subject:B311u6.2_023 | treatment:C0
F24Subject:B311u8.2_024 | treatment:C0
F25Subject:B312u3.2_025 | treatment:C0
F26Subject:B312u4.2_026 | treatment:C0
F27Subject:B312u5.2_027 | treatment:C1
F28Subject:B312u6.2_028 | treatment:C1
F29Subject:B328u2.2_029 | treatment:C1
F30Subject:B328u3.2_030 | treatment:C1
F31Subject:B328u5.2_031 | treatment:C0
F32Subject:B328u8.2_032 | treatment:C0
F33Subject:B334u2.2_033 | treatment:C0
F34Subject:B334u5.2_034 | treatment:C1
F35Subject:B334u7.2_035 | treatment:C0
F36Subject:B334u8.2_036 | treatment:C1
F37Subject:B393u1.2_037 | treatment:C1
F38Subject:B393u2.2_038 | treatment:C0
F39Subject:B393u3.2_039 | treatment:C0
F40Subject:B393u8.2_040 | treatment:C1
F41Subject:B407u2.2_041 | treatment:C0
F42Subject:B407u3.2_042 | treatment:C0
F43Subject:B407u5.2_043 | treatment:C1
F44Subject:B407u6.2_044 | treatment:C1
F45Subject:B431u3.2_045 | treatment:NC1
F46Subject:B431u5.2_046 | treatment:NC1
F47Subject:B434u1.2_047 | treatment:C0
F48Subject:B434u5.2_048 | treatment:C0
F49Subject:B434u6.2_049 | treatment:C1
F50Subject:B434u7.2_050 | treatment:C1
F51Subject:B455u2.2_051 | treatment:C1
F52Subject:B455u5.2_052 | treatment:C1
F53Subject:B455u6.2_053 | treatment:C0
F54Subject:B455u7.2_054 | treatment:C0
F55Subject:B483u2.2_055 | treatment:NC1
F56Subject:B483u7.2_056 | treatment:NC1
F57Subject:B524u6.2_057 | treatment:NC1
F58Subject:B524u8.2_058 | treatment:NC1
F59Subject:B532u1.2_059 | treatment:NC1
F60Subject:B532u4.4_060 | treatment:NC1
F61Subject:B532u5.2_061 | treatment:NC1
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