Data for (Study ST000981)

(Analysis AN001607)

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

MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26
1,2-anhydro-myo-inositol NIST 1.6430 0.8309 0.9151 1.5187 1.6196 0.9787 1.3946 1.6635 1.0419 0.6886 0.4963 0.0762 0.9412 0.6137 0.2506 0.9797 1.1986 0.4728 0.0536 1.8410 1.8140 0.8567 0.3223 0.3761 0.3476 0.6038
1,5-anhydroglucitol 0.3587 0.1897 0.2031 0.2210 0.9991 1.1460 0.4787 0.4643 2.0725 0.6024 0.9424 0.1053 0.8578 0.1114 0.1251 0.1716 0.2813 0.1599 2.4822 0.5766 0.5175 2.9872 0.1674 0.2430 0.4288 3.9319
1-hexadecanol 0.5990 0.3280 0.3269 0.2878 0.4972 0.3675 0.1110 0.0964 0.6097 0.2031 0.1243 0.1252 0.1073 0.1277 0.8826 0.3664 0.3767 4.6292 12.5863 0.1192 0.1234 0.6606 0.1672 0.1846 0.1032 0.3434
1-kestose 1.7375 0.0088 0.0216 0.0337 0.0800 0.0608 0.8336 3.5309 0.1019 0.0070 0.0136 0.0037 0.0813 0.0136 0.0109 0.0067 0.0306 0.0108 0.2105 6.8767 18.2010 0.1784 0.0057 0.1114 0.0319 0.0200
1-methyladenosine 0.8185 0.3946 2.0918 3.5884 4.1871 0.3741 2.3333 1.0017 0.8333 0.2211 0.9422 0.2041 1.7993 0.2109 0.2245 0.4796 2.5816 0.1748 1.8231 2.5306 1.0816 0.3716 0.2313 2.1531 1.2415 0.2939
1-monoolein 1.9379 1.8376 0.3686 0.2914 0.2374 0.5055 0.2874 0.6484 0.3261 1.2064 1.0063 0.8897 0.4415 0.1672 1.3187 0.1476 0.3941 1.4801 0.9425 0.3355 0.4400 0.8939 0.9106 0.3464 0.4833 0.4857
1-monopalmitin 1.4795 1.4200 0.3294 0.5343 0.4993 1.2600 0.4732 0.7207 0.2277 1.0005 1.4754 0.6868 0.9106 1.6912 2.4564 0.5241 0.1552 0.8509 0.9303 0.6212 0.7528 0.4620 1.8078 0.4405 0.8083 1.1083
1-monostearin 1.2754 1.0271 0.7602 1.0599 1.1232 0.3583 1.3644 1.4578 0.5942 0.4809 1.2106 1.1366 0.8561 0.4987 1.6372 0.9974 0.7808 1.3355 0.7746 0.5923 0.4837 0.7072 0.8464 0.8245 0.5530 0.8262
2,3-dihydroxybutanoic acid NIST 0.6974 1.5967 2.8229 2.1158 3.1171 0.6279 0.2121 0.2079 0.8655 0.1824 0.4130 0.5799 0.5799 5.1819 0.6223 0.9872 4.5427 0.4186 0.6053 0.0226 0.5091 0.2595 0.4695 2.5485 2.5004 0.5934
2,4-diaminobutyric acid 0.9815 1.3442 0.8802 0.9836 0.6349 2.0078 0.1134 0.1188 0.1302 2.3090 1.2832 4.9373 0.2107 0.6282 1.0742 1.6931 0.2095 1.4420 0.1908 0.1263 0.0930 0.1502 0.8803 0.2482 0.3585 1.6314
2,5-dihydroxypyrazine NIST 0.7871 0.6097 0.8025 0.6687 0.6491 1.3348 1.4607 1.0352 1.8174 0.6228 0.7703 0.5546 0.8707 1.3270 0.3199 0.5494 0.7592 0.8869 1.0280 0.7067 1.1762 2.4025 0.7513 0.9546 1.0411 1.2255
2,8-dihydroxyquinoline 0.9001 0.3994 0.9256 1.0833 0.5247 0.3489 1.8331 1.3484 9.2860 0.3038 0.3520 0.1260 0.3966 0.1561 0.2501 0.6271 0.4037 0.2407 5.3961 1.3678 0.5598 2.8028 0.1990 0.2730 0.2501 0.2046
2-deoxyerythritol 0.3416 6.5087 9.0548 0.7573 2.1115 0.2602 0.0521 0.1060 0.7001 0.3767 0.2223 0.1451 0.2240 0.9586 0.3611 0.7736 1.8771 0.2521 0.2984 0.0760 0.1840 0.5263 0.4970 0.5267 0.2690 0.3864
2^-deoxyguanosine 0.9689 0.5256 3.2893 2.0129 1.7351 0.3969 1.1710 1.0519 0.5792 0.9120 0.9016 0.3602 0.4100 0.2706 0.6854 3.0380 2.5165 1.0235 0.1058 1.5303 0.7059 0.5448 0.4721 0.0520 0.6041 0.7788
2-deoxytetronic acid 0.8193 0.9728 1.9733 1.6566 1.1259 1.1842 0.6654 0.2383 0.7595 0.9831 1.5135 0.6142 1.4402 2.5783 0.6892 0.7063 1.0431 0.3910 1.2599 0.5352 0.5536 0.6444 1.9348 1.4194 1.7214 1.3279
2-hydroxybutanoic acid 1.2823 0.6506 1.5636 1.1256 1.2486 0.1706 0.2273 1.2818 3.8371 1.3783 1.6288 0.3709 1.1571 2.2370 0.2139 1.0631 0.2108 0.0573 1.2497 0.9015 0.6110 0.9141 0.3289 0.6990 0.7697 0.8237
2-hydroxyglutaric acid 0.8425 0.7766 1.2437 2.1699 1.0557 0.7927 2.6968 0.4963 1.4015 0.1298 0.6016 0.0869 0.7651 4.5236 0.5380 1.0050 0.8603 0.1809 0.3029 4.1383 1.0155 2.0922 0.5884 2.1595 1.3283 0.3427
2-hydroxyhexanoic acid 1.2558 0.0939 1.0233 1.3252 0.9922 0.2151 1.1984 1.5008 1.2671 0.9476 1.6205 0.1506 2.0696 2.4882 0.1980 1.0776 0.1364 0.0504 0.8008 1.4275 2.3591 1.1267 1.1039 1.5127 2.3473 0.2648
2-hydroxyvaleric acid 0.9649 2.0027 1.8080 0.4898 1.9917 0.3075 0.0449 0.6576 0.3926 0.3411 0.2153 0.3899 1.1889 0.4042 0.4613 0.3480 2.0785 1.6398 0.3126 0.0726 1.3094 0.6147 3.3576 2.0794 0.2751 0.7989
2-ketoisocaproic acid 1.1145 1.0993 1.0510 1.2929 0.7324 0.3721 0.4591 0.4791 0.2999 2.0759 0.6875 0.5154 0.6128 0.7869 0.8909 1.8918 0.6729 1.6693 0.5472 0.4360 0.5326 0.5184 0.5565 0.6720 0.7405 1.4355
2-methylglyceric acid NIST 0.5800 0.6350 0.8249 0.4514 2.0149 0.6296 4.0520 0.2686 1.4981 0.2104 1.9885 0.9141 2.4619 1.0718 0.4178 0.3434 1.6406 0.4152 0.6708 5.4805 0.2443 0.1975 1.5305 2.5015 0.7776 1.1443
2-monoolein 2.2893 0.9799 0.3733 0.5858 0.3733 1.1134 0.7938 0.7873 1.4753 0.7224 0.5112 0.3361 0.3162 0.3710 0.6596 0.4114 0.6196 1.1833 1.7779 0.4487 0.8006 0.6581 0.7961 0.3259 0.2379 0.2776
2-monopalmitin 1.4751 0.9050 0.7217 1.1077 0.6749 0.8681 0.3828 0.5231 0.7896 0.4531 0.5170 0.1617 0.7899 0.4930 1.1843 0.7236 0.5397 0.9939 2.8907 0.9019 0.4050 1.8460 1.0208 1.0561 0.2470 0.6958
3-(3-hydroxyphenyl)propionic acid 0.7451 2.8631 2.4055 1.2535 1.8312 1.5484 0.0017 0.0046 0.0029 2.8900 0.1496 0.0345 0.0090 0.0035 3.1110 2.6486 2.7420 2.0523 0.0306 0.0035 0.0008 0.0055 3.3941 0.0070 0.0072 0.0850
3,4-dihydroxybenzoic acid 0.6379 0.8692 1.4005 1.1385 1.1350 1.0475 0.3168 0.2322 0.4335 3.2242 1.4556 1.0244 0.2652 0.4119 0.4863 1.4643 2.0979 0.3909 0.2315 0.3061 0.3065 0.2904 2.7371 0.7440 0.3553 2.7202
3,4-dihydroxycinnamic acid 0.9352 0.4173 1.0542 2.0917 1.8691 1.1056 0.3467 1.0333 0.2653 0.4954 0.4207 0.1780 5.9837 0.4961 0.0995 0.7563 0.6863 0.2495 4.5245 0.5411 0.4340 0.2365 0.6810 3.7159 0.3802 0.5338
3,4-dihydroxyhydrocinnamic acid NIST 0.4867 0.2816 0.4258 0.4363 0.1792 0.4499 0.3737 0.3595 0.6165 0.0945 2.7709 2.7533 0.6959 0.4824 0.2093 0.3583 0.0183 0.2409 0.6869 0.4140 0.3380 0.6128 0.1159 1.7293 0.9769 5.0834
3,4-dihydroxyphenylacetic acid 0.4231 0.9409 1.1618 0.5875 0.6552 0.8867 0.1152 0.2196 0.3741 4.5568 0.9081 0.8402 0.3886 0.3736 0.2837 0.7415 1.8612 0.3846 0.5890 0.2589 0.3927 0.6234 10.6260 0.5245 0.0930 1.7440
3-(4-hydroxyphenyl)propionic acid 0.7923 2.7444 1.4311 1.2481 1.0966 1.2725 0.0750 0.1285 0.3488 1.2672 0.5256 0.6703 0.2583 0.5326 1.8331 2.8729 2.8313 2.3979 0.5876 0.1095 0.1053 0.2638 1.0849 0.3742 0.2881 0.6206
3,6-anhydro-D-galactose 1.1389 0.7898 0.8524 0.7875 0.9273 1.8784 0.8871 0.8365 1.2758 1.0669 1.0050 0.6707 1.1215 1.0234 0.5528 0.8461 0.5375 0.5934 2.2417 0.8553 0.8373 1.3191 1.3586 0.6808 0.9146 0.9366
3-aminoisobutyric acid 0.6089 0.8657 0.7195 0.3422 0.4172 0.2639 0.0282 1.0384 0.8630 1.8550 1.7905 1.6173 0.9545 2.3116 2.1330 0.8665 1.5748 1.5960 0.3089 0.0339 0.9782 0.4284 1.7632 1.6392 0.8380 1.3529
3-hydroxy-3-methylglutaric acid 0.5620 1.3934 2.5915 4.0122 1.4871 0.4357 0.2066 0.1233 0.2835 0.7063 0.8593 0.6679 0.5093 1.9957 8.0532 1.0122 2.7629 0.1762 0.9610 0.2290 0.1650 0.2374 3.1841 1.0106 0.5670 1.0199
3-hydroxybutyric acid 2.2911 0.3182 0.5404 0.9741 0.4930 0.4899 1.1275 0.3944 0.2737 1.4151 0.9289 0.3432 0.2597 0.5525 0.3386 1.2471 0.1729 0.2418 0.1018 1.0285 1.4990 0.7487 2.0186 0.8788 1.0211 0.7655
3-hydroxypalmitic acid 0.3061 0.7004 0.2199 0.3906 0.4668 0.8316 0.1317 0.1431 0.2933 0.4644 0.2844 0.3260 0.0714 0.1012 0.7083 0.4985 0.2388 1.0114 0.7757 0.2903 0.1368 7.2467 0.6842 0.0891 0.1849 1.2414
3-hydroxyphenylacetic acid 0.7350 1.8534 0.3542 0.1167 0.1569 0.3793 0.0118 0.0440 0.0778 4.8770 0.1003 0.0907 0.0707 0.2480 0.8019 0.1629 1.8456 4.6793 0.4114 0.0366 0.0231 0.5156 0.4046 0.0857 0.1567 0.1381
3-hydroxypropionic acid 0.8552 0.1426 0.6741 1.2770 1.1328 0.1883 0.1122 0.2365 3.1067 0.3079 3.2147 0.1134 4.1161 0.8214 0.1977 0.8099 0.0434 0.1800 0.3658 0.1212 0.1813 1.6403 2.6625 2.1776 3.7831 0.3041
3-phenyllactic acid 0.8789 0.1860 0.8179 1.4438 0.9544 0.5086 0.3850 0.3744 1.8829 1.0526 1.7228 0.2276 3.0553 4.1273 0.3989 1.0351 0.0873 0.1301 0.3107 0.5362 1.0472 0.2186 3.3450 3.5652 3.6492 0.7862
4-aminobutyric acid 1.4600 0.1280 0.2121 0.1824 2.8254 0.3965 0.8185 1.8208 5.0468 0.8440 0.7118 0.2750 0.7790 1.1627 0.4449 0.1347 0.6491 0.0878 0.2157 2.3439 1.4039 0.8929 2.5530 0.7219 0.3884 0.5099
4-hydroxybenzoate 0.8017 2.0788 1.3680 1.6523 1.2251 2.1022 0.1460 0.2500 0.7573 2.0963 1.3493 1.6901 0.4485 0.8451 1.1556 1.5638 1.2997 0.3959 0.2253 0.2702 0.1123 0.6416 1.6240 0.8178 1.0730 1.5338
4-hydroxybutyric acid 1.1683 1.6165 0.8592 1.5057 2.5378 4.3832 0.8581 1.1819 1.0572 0.5850 0.5781 0.2051 0.5841 0.6432 0.6213 1.0895 0.9905 0.6600 1.0261 1.1475 1.2251 0.8463 0.6580 0.4950 0.5863 0.4172
4-hydroxyhippuric acid NIST 0.3316 2.9245 2.7642 0.9975 3.7667 1.8335 0.2516 0.1620 2.0918 0.2549 0.2772 0.3039 0.1197 0.9418 1.2869 0.9440 9.9570 0.3157 1.0765 0.2839 0.2349 1.0473 0.0479 1.1823 0.3718 0.4482
4-hydroxyphenylacetic acid 0.6883 1.3239 1.1277 1.2158 0.8257 2.3526 0.0519 0.1078 0.4782 1.8995 0.8570 1.5202 0.1916 0.3353 1.1487 1.4680 1.4266 0.2956 0.6978 0.1011 0.0889 1.3967 1.3529 0.3977 0.4860 2.7150
4-methyl-5-thiazoleethanol 0.6204 0.8560 1.1950 0.8904 1.0603 0.2317 1.0543 0.6172 0.5979 0.8415 1.5832 0.9039 1.8298 1.1320 0.9909 0.1386 0.6545 0.9973 0.9017 0.4214 0.7304 0.8956 2.0111 1.7510 3.1859 1.4091
5,6-dihydrouracil major 0.7063 0.2797 1.2105 4.0366 1.3630 10.4106 0.2674 0.2920 0.5478 0.3059 0.4215 0.3362 0.4019 0.8185 3.3133 0.6758 0.6003 0.3641 0.7463 0.3100 0.2690 1.0817 1.5500 0.2313 0.6938 1.3453
5-aminovaleric acid 0.9335 0.9894 0.9074 1.0639 0.5009 1.1649 0.0186 0.3132 2.4073 1.3924 1.0078 2.1645 0.2953 1.0825 0.8056 1.1074 0.0589 0.7046 0.8300 0.3282 0.0061 2.9682 1.5095 0.1037 0.5569 0.8629
6-deoxyglucose 1.4422 0.4966 0.8561 0.5998 1.0745 0.3673 0.8026 0.4465 0.1432 0.3289 0.7296 0.2009 1.3888 0.7968 0.6489 0.7849 1.4551 0.5404 0.7433 0.5608 0.7283 2.8723 2.3266 0.7014 1.0784 0.2728
6-hydroxynicotinic acid 0.8310 4.2544 1.0908 0.6584 0.6966 0.6689 0.1069 0.1425 0.5034 1.9003 0.5314 1.0054 0.2484 0.1940 2.8499 0.7303 1.0938 0.6224 1.5952 0.1682 0.1484 0.8767 1.9712 0.3457 0.4440 1.6055
acetophenone NIST 0.7255 0.5986 0.6727 0.8876 0.5968 0.3993 1.2080 1.2280 1.0881 1.0231 0.8468 1.0099 1.7416 0.4230 0.6529 0.8549 0.4757 1.1900 1.5896 1.4032 1.0935 1.1957 0.8558 0.8711 1.4401 1.5237
adenine 0.9119 0.7213 2.1834 2.0580 2.5090 0.6347 0.4739 0.3932 0.2789 1.6503 0.9704 0.5009 1.3350 1.1005 0.7202 2.0157 4.0834 0.4122 0.1436 0.7378 0.8571 0.1289 1.4040 2.5492 1.6808 0.5257
adenosine 1.4438 0.2565 0.9265 0.8612 1.4289 0.2482 0.9871 1.0912 1.9906 0.3447 0.1494 0.0729 0.4165 0.1106 0.1165 0.6518 1.8647 0.4925 2.5177 0.6835 2.0589 3.1786 0.2482 0.2424 0.1506 0.1819
adipic acid 0.7578 1.1702 0.7754 0.8454 1.0130 1.2787 0.5118 0.4047 0.9804 1.1444 0.7111 1.1232 0.6079 0.8525 1.0893 0.5330 1.2130 1.4433 0.9338 0.5266 0.8702 1.1642 1.4639 1.0879 1.1861 1.5283
alanine 1.1248 1.3141 1.4767 1.0356 1.1751 0.9641 0.2000 0.5237 0.5625 1.3332 0.8122 1.9874 0.7742 1.2738 1.3727 1.7481 1.0004 1.0570 0.4256 0.2881 0.2793 0.4842 1.0343 0.7826 1.1847 1.0896
alanine-alanine 0.8839 0.8198 1.0354 1.0522 1.0148 1.7096 0.7269 0.8436 0.4601 2.3409 1.4908 1.2995 0.9789 1.8999 0.9752 1.1376 0.4574 0.6188 0.2126 1.3961 0.5079 0.9404 2.0179 0.4177 0.9643 1.0277
allantoic acid 1.1075 1.1950 2.1132 0.7409 4.0265 0.0560 0.9203 0.7303 2.1142 0.0919 0.5662 0.0541 0.6775 3.3225 0.8581 1.1794 1.5712 0.9918 0.1034 0.6057 0.9064 0.2869 0.0505 0.4636 2.6699 0.2587
alpha-ketoglutarate 0.5848 0.6259 0.7747 0.9899 0.3415 0.2605 0.0561 0.0427 1.0100 0.4244 0.1650 0.2888 0.1096 1.4980 0.3094 1.3863 0.9405 0.4862 1.9180 0.0407 0.0535 7.2189 0.0607 0.0927 0.1853 0.4405
aminomalonate 1.8008 0.6601 0.7589 0.6249 0.7176 1.4099 0.3580 0.6103 0.1561 0.4350 1.6727 0.3315 2.2316 0.4610 0.6419 2.0382 0.3281 0.8231 0.2702 0.3970 0.6320 0.3697 0.6978 1.6811 1.6282 0.5536
arachidic acid 0.6793 0.9689 0.8898 0.8076 0.9833 0.8314 1.1364 1.9684 0.8640 0.7005 1.1184 0.4882 1.0420 1.0039 0.7294 0.8945 0.9562 1.1110 2.1314 1.1329 0.8964 1.2324 1.0386 1.9308 0.6020 1.0512
arachidonic acid 0.8511 0.5691 0.5611 0.5176 0.5288 0.8244 0.6140 0.7834 0.7243 0.4905 0.6273 0.7317 0.4895 0.7258 0.7093 0.4331 0.3180 2.3728 1.3894 0.5168 0.2879 1.7809 0.7979 0.4948 0.3741 1.6184
asparagine 0.7984 1.2654 0.7912 1.3235 1.0096 1.8154 1.0375 0.6745 1.1145 0.5153 0.9403 1.8729 1.3017 0.8653 0.5797 0.3711 0.5996 0.9120 0.9561 0.4862 0.4610 1.7851 0.7637 0.8905 1.6910 1.1386
asparagine dehydrated 0.7063 0.8684 0.6905 1.3798 1.1054 2.4246 1.3358 0.8281 1.4673 0.4453 1.0321 0.8571 1.3743 1.0831 0.7203 0.2399 0.6044 0.4996 1.2877 0.5853 0.5778 2.4597 0.9017 0.9492 1.7159 1.0151
behenic acid 0.6510 1.3873 1.2463 0.9103 1.1735 0.8790 0.9288 1.8243 1.0385 0.8361 1.1640 1.2270 0.9989 1.0788 0.4238 1.2498 1.1658 1.2288 2.0955 1.3406 0.5657 0.6594 0.9748 1.7641 0.6225 0.9062
benzoic acid 1.1935 1.3711 0.8621 1.1641 1.0020 0.6235 0.6388 0.6143 1.2308 0.7190 0.7497 0.4871 0.6685 2.1803 0.4157 0.7878 0.5758 1.2112 1.5140 0.6297 1.2464 0.8475 0.6359 1.2963 1.1423 0.9767
beta-alanine 0.9628 0.5832 1.2828 0.2553 0.3716 0.3047 0.0322 0.0535 0.6585 2.4680 0.5662 2.6320 0.0874 0.3089 3.0408 2.1097 0.5161 0.8399 0.1635 0.0437 0.0378 0.2599 2.7986 0.0856 0.4550 2.7805
beta-gentiobiose 1.8046 0.2237 0.2735 0.5870 0.5056 0.5351 1.3884 2.1022 1.6321 0.7378 0.1512 0.1359 1.0435 0.3958 0.0913 0.4154 0.3442 0.2917 3.0722 1.7152 3.2106 1.3610 0.1940 0.6862 0.1490 0.5241
beta-glutamic acid 0.4233 0.0278 0.0502 0.0094 0.4001 0.0022 0.0653 0.0309 0.2615 0.0555 0.0053 0.4292 0.0237 0.4344 0.1095 0.0192 0.2325 0.0853 8.0333 0.0614 0.0034 9.2563 0.0158 0.0176 0.0283 0.1965
beta-mannosylglycerate 1.1422 0.4934 0.3213 0.4274 0.7393 0.5079 1.8776 2.5161 1.2026 0.6543 0.3792 0.0986 0.2346 0.3365 0.3491 0.1775 0.3706 0.6825 0.8669 1.4141 6.5474 1.9536 0.4761 0.6535 0.2849 0.7883
beta-sitosterol 0.7021 0.9694 1.0579 0.0578 0.7876 1.3744 0.9085 0.9296 1.3609 1.8049 0.8549 1.0524 1.3926 0.0056 0.2349 1.2426 1.5904 0.7155 0.1500 1.4486 0.9823 1.6841 0.0227 1.7513 0.0154 1.6342
biphenyl 0.6387 1.4718 0.6697 0.7656 0.4539 1.1359 0.5504 0.4010 1.2546 2.0404 0.5334 0.5686 0.6514 0.2074 0.8216 0.2048 0.3639 2.9550 0.3691 0.5412 0.5204 1.1917 0.3665 0.1030 0.3091 1.3814
butane-2,3-diol NIST 1.1293 0.4015 0.3026 0.3793 0.3657 0.4109 0.2810 0.4973 0.3696 0.5374 4.9198 0.2623 4.4094 0.6058 0.1664 0.3645 0.1273 0.2743 0.2726 0.3592 0.7814 0.5165 5.8491 0.8562 2.0471 0.4280
butyrolactam NIST 1.4133 0.3113 0.4049 0.3698 0.2662 0.4826 0.8942 2.2944 4.3028 0.9780 0.8429 1.1241 0.8117 1.4805 0.1854 0.3514 0.1460 0.3987 0.6070 2.3570 1.5157 0.9288 1.9512 0.8682 0.5506 0.7479
capric acid 1.1750 1.0017 0.5294 1.0922 0.6848 0.9367 1.0115 0.7724 1.1138 0.8570 0.9633 0.8029 0.9092 0.6140 0.7714 0.6002 0.8541 0.9926 2.3379 0.8206 1.6117 1.0779 0.9820 1.5606 0.9407 0.8627
caprylic acid 1.1251 0.6063 1.1441 1.0766 1.1504 0.3902 0.9074 0.9436 1.4648 0.6239 0.7764 0.7774 0.9685 0.8214 0.3618 0.5994 0.4674 0.9943 2.2549 1.1499 1.2927 1.1778 1.0248 1.2712 1.3592 0.8591
cellobiose 0.6600 1.1363 1.3533 2.6158 0.5475 1.9873 16.5387 3.2716 0.5709 0.1149 0.2039 0.0549 0.3767 0.2203 0.2348 2.5168 0.3911 0.5745 0.7922 0.2380 0.2655 0.4255 0.2299 0.0696 0.3619 0.2137
cerotinic acid 0.4648 1.0761 1.7115 1.3455 1.2918 0.7273 1.7785 2.1211 1.1976 0.4602 1.2739 0.5700 0.9616 0.6883 0.3940 0.5310 1.2256 0.9250 1.6944 1.7598 2.3593 1.1840 1.1197 1.2972 0.7989 0.8494
chenodeoxycholic acid 0.5501 0.3390 0.2868 1.5393 0.6225 0.9602 0.1676 0.1908 1.1034 0.1835 0.5240 0.2174 0.5513 0.4086 0.8713 0.2969 0.6063 2.8816 2.1513 0.5982 0.2780 2.0329 1.0418 0.6387 0.5528 1.7163
cholesterol 0.8808 0.8803 0.8421 0.7437 0.6803 0.9287 0.5155 0.6523 0.8125 1.3476 0.8696 0.9009 0.6357 0.9491 0.7824 0.6432 0.5591 1.3636 1.5560 0.5360 0.4355 1.3456 1.3540 0.5820 0.4320 1.7128
cholic acid 0.8821 0.0108 0.3491 2.5135 1.2992 0.0299 0.3465 0.3904 4.2472 0.0503 0.8403 0.0130 1.4627 0.7965 0.0105 0.2244 0.8850 0.2422 11.2961 0.8830 0.3772 2.0019 2.0255 1.5655 0.0052 0.2108
cis-gondoic acid 1.0150 0.5564 0.3532 0.5602 0.7404 0.9480 0.4819 1.2315 0.5224 0.4036 0.8553 0.1682 0.6614 0.7812 1.6901 0.3549 0.5677 2.1514 1.7574 0.7366 0.5512 1.0476 1.2446 1.3084 0.4551 1.2313
cis-sinapinic acid 0.9315 0.2545 0.6916 0.8314 0.8711 0.5863 0.1304 0.6974 2.5986 0.1648 1.4088 0.1867 0.6045 0.1899 0.0574 1.4865 0.7959 0.3386 7.8176 0.0824 0.4340 3.3757 0.2817 1.0025 0.7740 0.3835
citric acid 3.0431 1.4207 3.0656 0.6152 1.2923 0.2326 0.0997 0.0459 0.2565 0.0966 0.0415 0.0930 0.0375 0.3638 0.4744 0.1970 2.6038 0.1088 0.7137 0.1002 0.0784 0.2386 0.0578 0.2519 0.1341 0.1510
citrulline 1.2187 1.5962 1.3875 0.7871 0.8814 1.0914 0.3057 0.3231 0.5701 1.1440 0.5582 1.1061 0.5492 0.7636 0.9439 1.7817 0.9502 1.5628 0.3378 0.1432 0.3228 0.9582 0.4497 0.3035 0.8278 1.0768
conduritol-beta-epoxide 0.8847 0.0952 0.2609 0.4463 0.7061 0.1273 0.5315 1.1276 0.4912 0.2746 2.2154 0.1023 4.8083 0.3866 0.0665 0.2160 0.1091 0.1048 0.0404 0.2285 1.3882 2.7978 0.0114 2.3950 3.8424 0.6389
creatinine 1.2217 3.1248 0.8661 0.6225 0.8237 0.7879 1.4225 0.4662 2.2078 0.2007 0.3256 0.2371 0.7325 0.0460 0.5945 0.3383 1.5855 0.3905 0.4717 0.3537 3.4722 0.3941 0.0980 0.4883 5.6168 1.1221
cysteine 0.7120 0.5358 0.5509 0.8545 0.8883 1.3014 1.4890 1.3096 2.1832 0.7553 1.2542 0.7699 1.7918 0.8002 0.4308 0.3520 0.3319 0.4736 0.8567 0.8892 1.3444 2.0415 0.9897 1.0460 1.6489 1.2348
cystine 1.1150 0.1646 0.2749 0.3942 0.4740 1.1215 2.7354 3.0646 0.6175 1.0124 0.8127 0.1084 2.4075 0.5282 0.2118 0.2552 0.5575 0.4516 2.2787 0.6698 1.4557 1.7942 1.4315 0.8676 0.8063 0.3680
cytosin 0.9259 0.4549 1.0093 2.3963 2.1560 1.1804 0.8988 0.1256 0.4646 0.8693 1.2154 0.3971 1.6083 1.4587 0.4266 1.4814 2.2040 0.3319 0.4570 0.8035 0.3019 0.7357 0.4705 1.5708 2.4747 1.4698
daidzein 0.8365 0.1028 0.6445 0.9590 1.0580 0.2010 1.7784 1.4953 0.5785 0.3844 0.8693 0.2071 2.3715 0.2900 0.1811 0.5816 0.5417 0.1366 0.4082 1.5605 1.7585 3.6205 0.3683 2.9062 2.0930 0.2737
deoxycholic acid 0.5395 1.7210 1.3531 0.7675 0.6758 0.0576 0.0016 0.0032 0.0158 1.5855 1.7777 0.0340 0.0696 0.0614 0.1838 0.6809 0.2354 3.7256 0.1961 0.0024 0.0295 0.0107 0.0446 0.1187 0.0004 2.5186
D-erythro-sphingosine 1.3237 0.5103 0.4541 0.1475 0.2994 0.3204 0.2478 0.5502 0.3249 0.9106 0.7289 0.2423 0.8700 0.2826 0.6856 0.5123 0.2745 3.7836 0.3176 0.2227 0.1069 0.4658 0.3669 0.0696 0.2225 1.1333
diglycerol 0.7413 0.6776 0.9328 0.8340 0.8262 1.5043 1.2284 0.5454 1.1910 0.4176 1.0452 0.5489 1.1607 1.4289 0.6122 0.6746 1.3485 1.4035 0.6296 0.6508 0.7476 1.7841 1.0544 1.6470 1.9081 0.8945
dihydrocholesterol 0.6470 0.8619 0.5215 0.5354 0.2236 0.0937 0.2367 0.2777 0.5677 1.1415 0.6610 0.6888 0.3932 0.7613 1.2024 0.3540 0.2493 3.2599 1.5385 0.3401 0.2034 1.3264 1.7043 0.4086 0.3055 1.5856
docosahexaenoic acid 0.5111 0.7042 0.5684 0.4720 0.5189 0.8282 0.3747 0.2307 0.4337 1.4831 0.9126 0.8096 0.3683 0.5719 0.2522 0.4878 0.4532 3.5178 1.4527 0.1012 0.3216 0.8934 1.2054 0.4639 0.0872 1.8655
erythritol 0.8281 1.0344 1.2650 1.7641 1.8546 0.9480 0.8124 0.5802 2.5322 0.2488 0.8230 0.3478 1.0113 2.4621 0.2755 0.7536 2.2907 0.2880 2.6174 0.9215 0.5035 2.1124 0.2098 1.9072 1.5315 0.2979
erythrose 0.7932 0.8067 1.1962 1.4023 1.3168 1.6586 1.6586 1.2942 1.5706 0.6169 2.5721 0.3619 2.0217 1.0957 0.3091 0.8368 0.8268 0.4232 0.5981 0.7036 2.2642 0.7746 0.6383 2.2466 1.2691 0.5941
ethanolamine 1.1436 1.1151 1.5349 2.6707 2.4329 1.1244 0.5019 0.7880 0.4864 0.5932 0.5471 1.2938 0.6546 1.1881 0.8639 1.1431 1.3189 0.9735 0.3832 0.5205 0.7812 0.4703 0.6835 1.9601 1.7221 0.5397
ferulic acid 0.9749 1.0466 1.4930 3.9126 1.8140 1.2845 0.0664 0.1128 0.1216 0.3376 1.1984 0.1535 0.6681 0.5504 0.2594 1.2936 1.3445 0.4968 11.0004 0.0761 0.0727 0.1835 1.1497 3.0760 0.4855 0.3739
fructose 1.5537 0.5992 0.9503 1.1499 2.5361 1.4430 0.6650 0.1473 0.0691 1.0047 1.0930 0.0726 2.2830 0.1171 0.3000 0.8905 2.4256 0.7383 0.2270 0.2058 0.7376 0.1594 0.7427 2.3500 0.5017 0.6911
fucose 1.3525 1.2548 1.0265 0.8776 1.3443 0.7632 0.3948 0.3900 0.5093 1.2267 1.9475 0.5056 2.1218 0.4644 0.2747 0.5784 0.3577 0.7492 0.7303 0.6933 0.3316 0.7473 0.5965 1.8787 2.1441 0.5328
fumaric acid 0.8984 1.2276 1.3857 1.7056 0.7773 1.0052 0.5890 0.5304 1.1651 0.7283 0.8632 1.4862 0.4125 2.7275 0.3870 0.8406 0.9098 0.7769 1.3996 0.9409 0.5701 1.2477 0.5994 0.7466 1.3034 1.4032
galactinol 0.9038 0.0707 0.0870 0.1709 0.1422 0.0762 10.5560 5.0460 1.6140 0.0305 0.0415 0.0339 0.1030 0.2936 0.0563 0.0914 0.1601 0.0360 0.5694 6.7518 11.1953 0.1995 0.1110 0.1167 0.0737 0.0337
galactonic acid 0.8977 0.6380 0.4920 0.8309 0.9413 0.9552 4.2571 3.7488 0.7110 0.5033 0.9282 0.3884 1.1305 0.5867 0.7290 1.0967 0.3001 0.2925 0.6669 2.2204 1.4851 1.1582 1.4608 1.0769 1.2112 0.6578
galactose 1.5821 0.3435 0.2399 0.4461 0.2391 0.2683 4.6535 2.9701 0.8293 0.6400 0.4777 0.5315 0.6328 0.0471 0.5034 0.4029 0.0971 0.4611 0.7759 0.0830 6.1467 1.2128 0.6503 1.0573 0.0857 0.3553
galacturonic acid 1.1752 0.6124 2.8071 3.1442 1.4147 0.1576 1.7516 2.9333 0.3082 0.0765 0.3993 0.0741 0.1593 0.1088 0.4063 2.2927 1.1600 0.3217 0.3821 1.4258 2.0170 1.7006 1.5035 0.0647 0.3357 0.1448
glucoheptulose 1.5832 0.2943 0.3100 1.3984 0.7382 3.2320 0.2234 4.2363 8.3771 0.2531 0.6076 0.1039 0.4578 0.4432 0.0609 0.2336 0.3131 0.3624 1.6091 0.2282 0.1549 0.2294 0.1582 1.9633 0.4414 0.2240
gluconic acid 1.1746 0.4291 0.3740 0.8712 0.6236 0.3332 7.4337 5.9772 0.5471 0.3799 0.1653 0.1232 0.5160 0.4097 0.3008 0.2411 1.3146 0.1551 0.1452 3.8128 2.5941 0.9675 0.1361 0.3863 0.0454 0.1621
glucose 1.9385 0.6574 0.6471 0.9179 1.1005 1.4047 2.9329 2.5863 0.1934 0.6736 0.4588 0.1409 0.6289 0.3171 0.1176 0.7264 0.8507 0.3894 0.1982 2.2453 2.9200 0.4480 0.1510 0.3245 0.3297 0.3324
glucose-1-phosphate 0.8135 0.3631 0.7421 1.1736 0.8691 1.0032 1.3519 1.0505 0.8044 0.4987 1.2991 0.1385 1.3117 1.0367 0.3537 0.4642 1.0878 0.4714 1.6402 1.0744 1.2749 2.0053 0.5152 0.7705 0.5734 1.8286
glutamic acid 0.8412 0.9343 1.1810 0.9564 1.1657 1.4415 0.1739 0.2687 0.7383 0.5526 0.8710 0.7011 0.8026 2.0541 1.0519 1.5952 0.6737 0.7379 1.6471 0.0760 0.0980 3.2034 0.5655 0.4356 1.3338 0.6299
glutamine 1.6048 1.3824 0.6969 0.5983 0.5955 1.7402 0.2488 0.1713 0.6078 0.5145 0.4827 0.8756 1.1914 1.0049 0.9872 0.3522 0.5814 2.2223 0.4108 0.1406 0.2015 0.5762 0.2112 0.2769 0.3338 0.8580
glutaric acid 0.8703 1.3046 1.2262 0.8447 1.3795 1.1059 0.2884 0.1226 0.4860 1.4159 0.5586 1.0696 0.3486 0.5177 4.0670 0.9151 1.2172 1.1786 2.5842 0.2702 0.3338 0.7965 2.8408 0.3520 0.3474 1.0791
glyceric acid 0.2906 0.3086 0.3250 0.1707 0.3796 0.0948 0.1473 0.1267 0.0963 0.0777 0.1395 0.0981 0.1005 0.2432 0.1176 0.2453 44.0671 0.1533 0.1340 0.1194 0.1302 0.1265 0.0619 0.1935 0.1949 0.1003
glycerol 1.4863 1.6361 1.0125 0.8984 1.0796 0.6423 0.3982 1.8662 0.3835 0.6419 0.9204 0.9244 0.6100 1.3954 0.8606 1.1314 0.6647 1.0957 0.5732 0.4187 1.2321 0.4292 0.8067 0.6871 1.0753 0.5660
glycerol-3-galactoside 1.1515 0.1768 0.3345 0.3429 1.7351 0.7515 2.6234 6.6056 0.7226 0.1984 0.2065 0.1813 0.8313 0.4640 0.1888 0.4714 0.9892 0.1964 1.0110 1.1186 5.8875 0.9164 0.1553 0.5936 0.2852 0.1446
glycerol-alpha-phosphate 0.7708 0.7874 0.9028 1.9516 1.4126 1.6519 0.6927 1.0305 1.7168 0.6292 1.2378 0.6292 1.4818 1.3254 0.3753 0.6942 0.7632 0.6711 0.9093 0.9310 2.0579 1.3905 0.6091 2.5289 1.1798 0.7246
glycine 1.2426 1.4063 1.1997 0.7896 1.6545 1.5205 0.2834 0.4611 0.1802 0.4509 0.9404 0.7683 1.5687 1.5913 0.8057 1.1860 1.5151 0.7824 0.6953 0.3343 0.4608 0.4295 0.6940 1.4855 1.6336 1.0787
glycolic acid 1.3322 0.8184 1.0436 1.1828 0.7929 0.9015 0.4326 0.4314 0.7721 1.2746 0.9304 1.1942 0.8485 0.4816 0.6222 1.3553 0.2707 0.7727 1.1106 0.7329 0.1030 1.2741 0.6892 0.5676 0.4380 1.4503
glycyl-proline 0.6877 0.6418 0.8713 1.3541 1.3584 2.4597 1.5686 1.4374 0.2379 0.8635 0.5099 0.8479 0.5692 0.3636 2.3307 0.2057 0.0530 2.5738 0.1448 0.7260 1.3327 0.9875 0.2395 0.3579 0.5934 0.8595
guanine 0.9134 1.0404 2.0337 1.5883 1.5311 1.5199 0.8957 0.3977 0.3459 0.9858 1.5030 1.1375 1.0708 1.4810 0.7595 1.5990 2.3950 0.7165 0.1404 0.9894 0.7206 0.1796 1.0421 1.4528 2.5390 0.7841
guanosine 1.0598 0.2803 0.9628 0.6295 0.3161 0.1625 5.4726 4.1351 1.4642 0.1006 0.0730 0.1253 0.0393 0.1309 0.0826 0.1281 0.7741 1.1199 0.4490 4.0745 2.9739 1.6777 0.0826 0.0909 0.0634 0.3028
heptadecanoic acid 0.8776 1.4333 0.8615 0.6585 0.5247 0.8269 0.9592 1.4047 0.7710 0.5131 0.7098 0.3597 0.5948 0.7282 0.7665 0.9955 0.8022 1.8990 1.9291 0.5799 0.6527 1.1279 0.8303 1.3181 0.4797 1.1196
hexadecylglycerol NIST 0.8054 0.8280 0.8534 0.8213 0.9229 1.1146 0.1346 0.9378 0.9854 0.5430 0.9819 0.7304 0.7772 0.5605 1.1173 0.9212 0.9804 1.7994 0.5891 1.1217 0.4963 1.9143 0.9976 0.6995 0.6598 0.9736
hexitol 1.1282 1.0676 0.8961 0.6597 0.8480 1.1289 0.0837 1.2920 0.8626 0.3772 0.5378 0.8321 1.1025 4.6342 0.3828 0.3023 1.4774 0.8645 0.4803 2.0025 0.1844 1.8251 0.1655 0.9777 1.1973 0.4705
histidine 1.1787 1.1334 0.7541 0.2651 0.7863 0.2861 0.2178 1.0940 4.4611 0.6763 0.9401 0.6562 1.8998 1.0180 0.5417 0.4380 1.2475 0.8243 0.5300 0.0871 0.1876 2.3462 0.2900 0.2467 0.7029 0.3569
homoserine 0.9249 1.7251 1.2202 1.1602 1.3530 1.1716 0.4503 0.5657 0.7490 1.6741 0.8855 1.7174 0.7148 1.1696 1.0107 1.0598 0.8745 1.1788 0.4360 0.3767 0.4295 0.3634 1.2590 0.7709 1.4500 1.2232
homovanillic acid 1.1586 0.2513 2.9293 1.6376 0.1839 0.2207 0.0753 0.0639 0.1734 0.7995 0.1130 0.1261 0.2172 0.2890 0.1559 0.2032 0.7864 0.4028 6.8638 0.1244 0.1541 2.0531 0.0683 3.0317 0.2592 1.5486
hydrocinnamic acid 0.7425 1.4209 0.6982 0.2492 0.4888 0.1230 0.2580 0.4496 0.3244 0.4442 0.4951 0.5085 0.5617 0.1070 0.5976 0.6080 0.4832 5.3856 0.3665 0.4360 0.2406 0.1619 0.2005 0.5272 0.5220 0.7177
hydroxylamine 0.7921 0.8505 1.3418 1.4376 1.1223 0.3000 1.2238 0.7222 1.0940 0.6610 0.8638 0.7321 0.8397 1.1471 0.2895 1.1048 1.4560 0.6878 3.2486 0.5103 1.3088 1.3209 1.3318 1.3678 1.0867 1.2246
hypoxanthine 1.0654 2.4652 1.2284 1.0535 0.2560 2.0369 0.4549 0.1502 0.7860 1.0637 1.2005 0.7708 0.6494 1.2483 0.5030 1.1143 0.6644 1.4994 0.1589 0.5404 0.3615 0.5350 0.8364 0.4970 1.4270 1.2327
indole-3-acetate 0.9683 1.9583 1.6660 0.7753 1.1614 1.4342 0.0982 0.1375 0.3796 1.3690 0.7310 1.3329 0.1968 0.6026 1.3487 1.3765 1.3588 0.7956 0.3203 0.1636 0.1142 1.5561 1.3517 0.3481 0.3771 1.4650
indole-3-lactate 0.5500 1.4052 0.9132 0.9915 0.8088 1.5548 0.3270 0.1336 0.9082 1.6148 1.1317 0.7166 1.0443 0.5792 1.0606 1.1114 1.1726 1.6799 0.6707 0.4709 0.4361 0.9756 2.0101 0.8005 0.9969 1.5476
inosine 0.8648 0.3808 1.9045 0.3055 0.3966 0.3339 4.1713 4.7065 1.9029 0.0616 0.0682 0.4594 0.0715 0.5881 0.1615 0.1418 0.8282 1.3600 1.1260 1.7261 2.1615 1.6978 0.0316 0.2859 0.0633 0.2861
inositol-4-monophosphate 0.3668 5.4181 1.4358 1.0056 1.2089 0.8112 0.2868 0.4832 0.8073 0.6570 0.3938 0.4007 0.1601 1.7265 1.5929 0.6344 3.2212 1.7811 0.6521 0.2671 0.2671 0.6433 0.8014 0.2927 0.2161 1.1981
isoleucine 1.0348 1.5240 1.6225 0.8690 0.9382 0.5707 0.3887 0.5311 0.2560 1.3525 0.8231 1.9553 0.8372 1.3359 1.4292 1.3890 0.6822 1.1970 0.3820 0.3630 0.3384 0.2085 1.3724 0.7425 1.4307 1.4073
isomaltose 1.5984 0.0120 0.0343 0.0523 0.1947 0.2010 5.5191 6.1059 0.1080 0.0224 0.0201 0.0063 0.2181 0.0176 0.0020 0.0150 0.0813 0.1344 0.0495 4.2793 9.4408 0.6569 0.0083 0.0630 0.0113 0.0095
isopentadecanoic acid 0.8640 1.8740 0.8751 0.8207 0.6147 0.8588 0.6651 0.5511 0.9984 0.3293 2.6526 0.3673 0.9971 0.5309 1.7608 1.1513 0.9112 2.6115 0.2114 0.4921 0.5280 0.4622 0.2713 0.4544 0.6616 0.6237
isothreonic acid 0.8228 2.4106 1.6171 1.4949 3.2931 0.8424 0.8655 0.4100 0.8560 0.1682 0.3987 0.4134 0.7731 1.8670 0.5944 0.5981 5.2807 0.2841 1.9015 0.5536 0.9068 1.2752 0.4647 1.2344 0.2909 0.4243
ketohexose 1.4401 0.6873 1.1847 1.6013 2.0421 1.2844 0.8248 1.4460 1.0011 0.6338 1.1732 0.3673 0.6181 0.4953 0.2770 2.7976 1.6517 0.3937 1.2634 0.8458 1.3201 0.7959 0.5373 0.3274 0.4848 0.4714
lactamide 0.7816 0.0321 0.2316 0.2610 0.5532 0.0601 3.1422 3.6775 1.2590 0.1545 3.5623 0.0445 3.5132 0.4476 0.0375 0.2171 0.0202 0.0266 0.4464 2.8188 4.5161 0.9777 0.2524 1.7400 2.0322 0.1229
lactic acid 1.4472 0.0099 0.5605 0.7244 1.8315 0.0478 2.0974 2.0823 1.7068 0.3540 1.4110 0.0287 3.0182 1.0999 0.0140 0.4263 0.0122 0.0096 0.5479 2.5082 2.8798 0.4429 0.5535 2.0296 2.0113 0.2078
lactose 0.5600 0.2442 0.1589 1.5086 1.1880 1.3266 10.3453 5.5141 0.3407 0.0493 0.0356 0.0214 0.0745 0.1545 0.0366 0.4430 2.0055 0.3900 0.2830 5.0370 7.1827 0.5097 0.0226 0.0351 0.0894 0.0979
lanosterol 0.9903 0.5148 0.8522 4.0070 1.0975 0.0590 0.5785 0.2240 0.9904 0.5516 0.7865 0.8527 0.0704 1.7293 0.1583 0.7244 1.1839 2.2204 0.1045 0.9459 0.4947 1.4615 0.2121 1.3784 0.0176 0.9057
leucine 0.9508 1.3543 1.6361 0.9111 1.1031 0.6805 0.6086 0.6382 0.3626 1.2182 0.7207 3.0135 0.7673 1.3556 1.3370 1.0122 0.7924 1.0753 0.4219 0.2817 0.5564 0.2914 1.1885 0.9222 1.9704 1.3417
levoglucosan 0.8630 0.7184 0.4796 0.8723 0.7141 0.6642 1.0437 0.4567 3.1219 1.6047 0.9185 0.1298 0.6030 0.5375 0.1016 1.7789 0.6642 0.3260 1.2041 0.4909 0.8270 3.3112 0.0435 0.8466 0.7897 1.0779
lignoceric acid 0.4665 1.1130 1.2964 0.8878 1.4692 0.8652 1.5181 2.2987 0.9821 0.6278 1.2661 0.6016 1.1870 0.7780 0.5524 0.3554 1.3770 1.2268 1.8055 1.5133 1.1484 0.8257 1.0573 1.9762 0.6798 0.9635
linoleic acid 1.1943 1.7111 0.6915 0.4953 0.7301 0.6524 0.7086 1.0524 0.6492 0.9516 0.9017 0.8851 0.5591 0.7452 0.9100 0.7320 0.6617 2.0725 0.9642 0.8334 0.1865 0.4612 0.8740 0.7033 0.4859 0.9949
linolenic acid 0.6281 1.4314 1.0367 0.4183 1.0027 0.9611 1.3714 1.7220 1.1556 0.1591 0.3584 0.5487 0.7556 0.3263 1.8145 0.9187 0.1200 2.2765 1.9569 0.6470 1.0900 0.6600 1.2230 1.2780 0.9489 1.0716
lysine 1.3583 1.0618 1.3333 0.6886 1.3948 0.5713 0.2555 0.3111 0.3114 1.7198 0.7648 0.7305 1.1390 0.6440 0.7817 0.9670 1.0909 1.8522 0.1041 0.2451 0.2886 0.4952 0.5275 0.3250 0.5920 0.8487
lyxitol 0.9432 1.1726 1.1843 1.0290 2.1976 0.6204 1.4544 0.5237 1.1313 0.2297 1.2900 0.4477 3.1482 2.8336 0.4007 0.2014 3.0277 0.3631 0.7365 1.1963 1.2901 0.5145 0.5374 2.0110 2.1574 0.2367
lyxose 1.9444 2.7763 0.4556 1.4750 0.3157 1.4994 0.3490 0.0972 0.1599 1.6832 2.8040 0.0775 0.1295 0.1443 0.0716 2.6911 1.0482 0.3885 0.2921 0.1458 0.1536 0.6961 1.3041 0.3417 0.0167 0.3184
maleimide 1.1546 0.5805 0.6522 0.7648 0.7564 1.2246 0.9700 0.8136 1.5853 0.6377 0.8833 0.3699 1.2774 0.8382 0.3038 0.6012 0.4372 0.9524 1.2355 0.6597 0.8531 2.0567 0.4989 0.7564 0.8382 1.0342
malic acid 1.2703 1.0058 1.4713 0.9706 1.4823 1.8842 0.5007 0.2778 0.4524 0.3514 0.7609 0.3382 0.7862 4.2537 0.2987 0.3140 1.3418 0.7001 0.5490 0.7444 0.2635 0.6034 1.0453 0.7335 2.4266 1.1450
malonic acid 0.5356 2.4046 1.1396 1.9253 1.4605 1.6867 0.5430 0.5122 0.8475 1.1067 0.7714 0.7940 0.5163 0.6500 0.9503 0.9380 0.3908 1.2506 2.3162 0.6911 0.5554 1.4173 1.2630 0.9339 0.5019 1.0754
maltitol 1.5224 0.2585 0.4903 0.2770 0.6839 0.3744 8.7448 2.3972 0.9192 0.7540 0.2017 0.1252 0.5216 0.0742 0.0985 0.7500 0.1576 0.3969 0.4451 1.5834 3.0985 1.1566 0.1739 0.9876 0.4034 0.3631
maltose 1.1052 0.3989 1.5725 0.7556 3.3759 2.7193 2.1695 1.4518 0.1867 0.2323 0.1527 0.1778 0.6229 2.6775 0.1594 1.1838 6.0099 0.3564 0.0707 0.8041 4.3461 0.2004 0.0533 0.1387 0.7344 0.2918
maltotriitol 1.3932 0.0448 0.1954 0.4621 2.8043 1.3562 4.6251 3.2181 3.5677 0.0411 0.0484 0.0617 0.6466 0.1161 0.0315 0.0859 0.6013 0.6202 0.0230 2.3712 5.7406 0.4168 0.1972 0.2577 0.0290 0.0767
maltotriose 0.9817 0.0622 0.4711 0.6086 1.6740 0.6536 2.7558 3.9320 1.3104 0.1114 0.0938 0.1452 0.2677 1.3461 0.0569 0.2794 4.7630 0.1390 1.0336 0.8416 5.6536 2.0726 0.1130 0.2595 0.0291 0.2284
mannose 1.2665 0.2416 0.0910 0.0910 0.3915 0.3208 1.2442 5.2035 0.4568 0.2639 0.1760 0.0500 0.0928 0.0238 0.0191 0.0913 0.0564 0.2901 0.2104 13.4895 0.0405 2.0737 0.2363 0.3660 0.0397 0.1334
melezitose 0.5176 0.0597 0.0551 0.0417 0.0685 0.0920 8.5486 6.0267 1.0287 0.0508 0.0597 0.0154 0.4084 0.0234 0.1040 0.0605 0.0394 0.0852 0.1639 11.0807 3.0845 2.3184 0.1851 0.4404 0.0720 0.0337
melibiose 1.7682 0.0530 0.1194 0.0728 0.9197 0.7987 2.1383 4.9163 0.5646 0.0498 1.0549 0.0364 1.4985 0.0411 0.0664 0.0237 0.2246 0.4384 0.1534 2.4672 2.2316 1.1632 0.0807 0.0696 NA 0.1025
methanolphosphate 1.1654 0.3796 0.6102 0.1162 0.1842 0.8837 1.5256 1.3238 1.5080 0.9019 1.4047 0.7053 0.9142 0.1127 0.7264 1.3026 0.2042 1.2890 3.0278 1.4869 1.9927 0.8376 0.1655 1.6254 1.5679 0.5992
methionine 0.6836 1.7651 1.7142 0.8950 1.3230 1.8821 0.3580 0.3990 0.6745 1.5915 0.7221 1.3825 0.6006 1.5924 1.7256 1.1170 1.2218 1.1832 0.6292 0.3652 0.2187 0.5177 0.9023 0.3163 1.2377 1.5490
methionine sulfoxide 1.3789 2.1846 1.2592 0.5310 1.4061 0.7039 0.2078 0.3203 0.3048 1.0000 0.8761 1.2070 0.6667 1.3606 1.0256 0.9951 1.2307 1.2168 0.4897 0.2062 0.1161 0.4446 1.1431 0.3291 0.5298 1.0327
monomyristin 1.5716 1.7090 0.4538 0.2325 0.4056 1.4765 0.3784 0.4798 0.4971 0.7568 1.7968 0.9052 0.6579 1.7486 0.6282 0.2844 0.2473 1.4518 1.4147 0.2721 0.4501 0.5101 1.4369 0.4773 0.4971 0.7894
myo-inositol 1.4627 0.3094 1.0020 0.5606 1.0245 0.3963 0.5990 2.9068 0.9627 0.5982 1.1001 0.5035 2.4491 3.9252 0.2270 0.4271 0.6698 0.2070 0.1491 0.1699 0.2545 1.0765 0.3036 1.8306 1.9017 0.1816
myristic acid 0.8816 0.7259 0.4602 0.3701 0.3877 0.5037 0.7617 0.8872 0.7900 0.7148 0.8234 0.4330 0.5116 0.6807 0.6518 0.6748 0.4416 2.9089 1.0432 0.4994 0.4960 1.2194 0.6811 0.6176 0.4439 1.3540
N-acetylaspartic acid 1.3674 1.6661 2.7634 3.7822 1.8365 0.8905 0.1536 0.2546 0.1523 0.6667 1.0389 0.4927 0.9571 2.1980 0.6034 1.2526 0.7329 0.2986 0.6194 0.4483 0.2030 0.5220 0.5452 0.9362 0.8907 0.6220
N-acetyl-D-galactosamine 1.3551 1.3776 1.6278 1.4681 1.2083 1.5572 0.0895 0.2851 0.2486 1.3239 1.0992 0.4904 0.6679 0.9286 0.2703 3.1127 0.6353 1.1373 0.2259 0.3393 0.1096 0.5679 0.3680 0.7935 0.2575 1.0123
n-acetyl-d-hexosamine 0.9988 0.8145 0.9057 1.0770 1.5913 1.7633 1.2865 1.9236 0.2825 0.9518 0.7173 0.2196 1.7457 0.4652 0.1909 0.9817 1.5221 0.3887 3.1583 0.9100 3.3304 1.0075 1.0477 1.0817 0.5357 0.3773
N-acetyl-D-mannosamine 1.2150 1.0069 1.0376 0.7601 0.7544 1.6080 0.3098 1.7232 1.0076 1.1631 1.7260 0.2917 1.5045 2.3883 0.0820 2.1478 0.6395 0.5989 0.1265 0.5830 0.1315 0.9270 0.1544 1.1288 1.0039 0.7476
N-acetylglutamate 0.6357 0.9549 0.9854 0.6387 1.1362 1.6193 0.3499 0.2062 0.8538 1.0680 0.3795 1.4347 2.0430 5.3762 0.7029 1.2213 1.8071 0.5338 1.0432 0.5424 0.3563 1.7778 0.8313 1.5535 0.6500 0.9401
N-acetylornithine 1.1162 0.8336 0.6379 0.5378 0.6646 0.6794 0.1521 0.1639 0.5227 0.9891 1.2499 0.3439 1.9252 0.4197 0.5373 0.8692 0.2383 1.3127 0.7437 0.2127 0.0930 1.0128 2.2406 0.3638 0.5822 1.9284
N-acetylputrescine 0.3593 0.2800 0.7812 0.4730 0.5921 0.3850 1.6598 1.6827 1.2343 0.8274 1.0885 0.2455 4.3195 0.2404 1.3601 0.3782 0.3843 1.3267 0.4259 1.3214 1.2034 0.6270 5.7681 0.1591 0.2849 1.2480
nicotinic acid 1.0256 1.3804 1.6886 1.8214 0.7910 1.7550 0.3757 0.4993 0.7648 1.1302 1.2846 0.7865 0.8800 1.5251 1.0077 1.8192 0.3690 0.7272 0.4712 0.3877 0.3566 0.9394 1.4069 0.6920 1.2573 1.0441
N-methylalanine 0.8140 1.3720 0.9307 0.8278 0.7423 0.8104 0.0434 0.4658 1.2478 2.8726 0.5947 3.8183 0.0993 2.0064 2.6320 1.1167 0.2599 1.8671 0.5326 0.3258 0.0684 0.3850 0.2027 0.0626 0.2712 1.1579
nonadecanoic acid 0.9740 1.1245 0.9889 1.0034 0.7529 1.0347 1.0672 1.4310 1.3758 0.5384 0.9901 0.4578 0.8896 0.8788 0.5728 1.0625 0.5114 1.4800 0.7352 0.5245 0.2855 1.1166 0.8124 1.3808 0.9660 1.0640
norleucine 0.5599 2.8085 0.5257 1.1231 1.2915 5.0477 1.9166 0.0574 0.1354 0.5076 0.9570 0.2872 1.0650 0.3291 1.0428 0.9294 6.4118 0.7827 0.1975 2.7102 0.0608 0.1287 0.1984 5.6243 1.3357 0.3274
norvaline 0.6313 0.8780 0.4519 0.7182 0.7038 3.8403 0.0793 0.1449 0.2470 7.4901 0.9603 10.8333 0.0897 0.3042 0.6676 1.2235 0.1008 0.5827 0.5937 0.0519 0.1616 0.1247 0.2808 0.1579 0.3481 0.5196
O-acetylserine 0.8153 0.7802 1.2469 2.6219 1.0677 1.1516 1.3804 1.2705 1.6915 0.8839 0.7245 0.8892 0.9266 0.7458 0.2120 0.7321 0.4011 0.8194 1.2080 1.0951 1.0906 0.8751 4.7390 0.6848 0.3264 0.9328
octadecanol 0.7232 0.6509 0.6750 0.3418 0.4976 0.3364 0.2213 0.2240 0.4217 0.4403 0.3250 0.1880 0.2972 0.2769 0.5195 0.6643 0.4242 2.9493 9.4274 0.2223 0.3567 1.4954 0.4237 0.3384 0.2471 0.9374
octadecylglycerol 0.8867 1.2378 0.7483 0.5544 0.4906 0.7539 0.4940 0.7550 0.5569 1.0805 0.5264 1.1383 0.3500 0.7283 0.7596 1.0285 0.6725 2.7045 0.4826 0.8312 0.8527 0.5273 0.9572 0.3288 0.3152 1.5566
oleamide NIST 0.9693 0.7902 0.5636 0.7883 0.5694 0.2430 2.6838 0.6373 0.7704 0.4907 1.7980 0.1944 1.2937 0.7887 0.7785 1.0185 0.9467 1.3428 0.5734 0.4037 3.7412 0.8420 0.3240 1.1678 1.6382 0.9817
oleic acid 1.0256 0.9593 0.7165 0.5451 0.7221 0.8567 0.8351 1.1189 0.5414 0.5936 0.8239 0.4938 0.5801 0.5791 1.7912 0.8751 0.8975 2.2131 1.4066 0.6090 0.6000 0.7041 0.9174 0.9374 0.4597 1.0925
ornithine 1.2112 0.5671 0.6459 0.1742 0.5636 0.7584 1.7072 1.8866 1.0333 0.4681 1.3817 0.5198 3.1695 0.2935 0.4555 0.3230 0.3541 0.7582 0.3986 1.8020 0.9018 0.9940 2.0294 0.1048 0.2114 0.8956
orotic acid 0.6509 1.4970 1.3621 0.7860 1.5407 4.7507 0.1336 0.0793 0.1816 1.6874 0.6940 0.3074 0.4951 1.9583 0.6809 1.6109 1.5915 1.9232 0.3408 0.1585 0.0668 0.2759 0.6742 0.6961 0.2673 1.4408
oxoproline 0.9662 0.5535 0.6141 1.1219 0.8369 0.7530 1.0121 1.0008 2.5017 0.2990 1.2785 0.5551 1.1893 2.2736 0.3355 0.3502 0.7801 0.2752 1.3023 0.7444 1.2589 3.1523 0.3750 0.5676 1.0803 0.5661
palatinitol 1.4689 0.1703 0.1897 0.5168 0.6213 0.6795 5.8591 2.8065 1.5149 0.2133 0.3188 0.1007 0.0887 0.0305 0.0991 0.2194 0.1870 0.6487 1.4289 2.5813 6.9713 1.0061 0.0914 0.9156 0.0490 0.1026
palmitic acid 0.8668 0.7087 0.5064 0.4568 0.6020 0.7521 1.3645 1.6451 0.8999 0.5408 0.7802 0.3258 0.7115 0.6604 0.8727 0.6798 0.6801 1.8344 1.8130 0.6830 0.7576 1.2738 1.0544 1.2645 0.5070 1.2875
palmitoleic acid 0.7454 0.7020 0.3179 0.2636 0.2997 0.7623 0.6369 0.7390 0.4624 0.4034 0.5133 0.2537 0.2003 0.4240 1.0887 0.5091 0.4296 4.2365 0.8016 0.1688 0.2869 0.6788 0.3294 0.2822 0.2047 1.7295
pantothenic acid 0.8411 0.9722 1.9068 1.0965 1.3655 1.5354 0.3845 0.3847 1.1041 1.1192 0.8329 0.7387 0.5090 0.9536 1.6285 2.2952 1.1137 0.5508 0.8419 0.4026 0.0946 1.0373 3.3208 0.7543 0.8867 1.3025
parabanic acid NIST 0.7685 1.1247 1.6547 0.3845 2.1071 0.3438 0.5257 0.4560 0.9969 0.4145 0.5194 0.8912 0.2586 3.2387 0.2666 0.4867 5.7662 0.4109 0.8058 0.1557 0.6329 2.1790 0.6653 1.6285 1.0531 0.7730
pelargonic acid 1.1682 0.5584 0.9237 1.3765 0.6948 0.5278 1.2171 0.8682 1.1544 0.7136 1.1652 0.8314 1.2451 0.7592 0.4206 0.8735 0.1014 0.7629 2.3420 0.8858 1.2217 1.2507 0.8120 1.7448 1.1422 0.9168
pentadecanoic acid 1.0596 2.5829 1.1490 0.8781 0.7322 1.0476 0.5539 0.6254 0.2231 0.4934 0.3261 0.2671 0.2808 0.3998 1.5151 1.1441 0.7498 3.1467 0.3897 0.4164 0.4883 0.3876 0.3525 0.3829 0.2295 0.7285
pentitol 0.9428 0.7148 0.3799 0.7336 0.5000 0.5768 0.8235 0.4003 3.2417 0.5229 1.7303 0.3578 0.8333 1.6372 0.1356 0.5621 0.2876 0.2627 4.0358 0.8186 0.5408 3.3692 0.2859 0.9591 1.5457 0.4268
phenylacetic acid 0.7418 0.9802 0.4527 0.9426 0.5080 2.4816 0.2033 0.0193 0.7846 0.9595 0.3573 0.9372 0.0695 0.0761 1.4446 1.1882 0.1006 2.4234 1.6780 0.0563 0.0083 1.7616 0.2754 0.0242 0.0569 1.9452
phenylalanine 0.9783 1.2598 1.2826 0.8098 0.9702 0.7969 0.6230 0.8276 0.4742 1.5925 1.1285 2.7004 0.9496 1.3565 1.3805 1.2845 0.8767 0.9056 0.4890 0.6902 0.5193 0.3207 1.6209 0.6619 1.1368 1.1973
phenylethylamine 0.5268 0.1700 1.0651 0.8189 0.9668 0.2290 0.7907 1.0947 2.4940 2.3397 0.9535 2.0779 0.1873 1.0388 8.3500 0.7863 0.1620 0.6301 1.0024 0.6001 0.8124 0.5039 1.2506 0.3580 1.0565 1.5314
phosphate 1.1075 1.9372 1.8236 0.5672 0.9320 0.3753 0.9203 1.2026 1.7344 0.3473 0.8371 0.6333 0.7975 1.9331 0.2251 0.3384 0.7458 0.6191 2.2665 0.9012 1.7445 0.6913 0.2040 3.2371 0.6864 0.7380
phosphoethanolamine 0.8746 3.1503 2.3272 1.3224 2.4494 1.4538 0.2963 0.3115 0.6505 0.5894 0.3863 1.3927 0.3268 1.5515 0.5650 2.1409 1.2827 1.2443 0.8918 0.2565 0.2749 0.6368 0.2474 0.4428 0.5528 0.6414
p-hydroxylphenyllactic acid 0.8099 0.2096 0.3387 0.7367 0.7812 0.3541 0.4212 0.2938 0.6823 0.9348 2.3046 0.3962 3.8594 2.5951 0.0952 0.1017 0.1653 0.1510 2.2046 0.6161 0.3018 0.7650 5.5680 3.0937 1.3762 1.0247
phytosphingosine 1.4381 0.5642 0.5184 0.2942 0.4706 0.2839 0.8882 0.6590 0.3651 0.6489 0.4084 0.2175 1.1354 0.3282 0.6097 0.6431 0.2112 3.0881 0.4364 0.3141 0.7887 0.6573 0.3956 0.1854 0.2250 1.0230
pinitol 1.2008 0.0456 0.2611 0.3634 1.5661 0.0286 0.6776 2.0215 0.5235 0.1372 1.3658 0.0429 3.9230 0.2217 0.0253 0.2249 0.2352 0.0255 0.0418 0.0248 1.5461 3.1153 0.0418 2.1009 2.3056 0.2315
pipecolinic acid 0.8258 0.8316 1.1824 0.6395 0.8428 1.3159 0.4561 0.2584 0.8505 1.3729 0.2906 1.0513 0.3721 0.3655 2.4265 0.6335 0.5443 2.9375 0.3207 0.2404 0.4010 0.9688 0.6409 0.3398 0.4715 1.0710
piperidone 0.7986 1.6260 0.7653 1.3458 0.6800 2.6288 0.0088 0.0153 0.0764 2.2099 0.4763 5.9535 0.0445 0.9205 1.9459 1.0323 0.0212 1.1882 0.0948 0.0151 0.0092 0.0975 0.8743 0.0278 0.2173 2.4156
proline 1.1761 0.6563 1.0016 0.6913 1.0037 1.9679 0.2737 0.3499 0.1451 0.8621 1.0458 1.5451 1.3244 1.1866 0.9812 1.0185 0.1701 1.0394 0.2256 0.2449 0.4456 0.2445 2.3394 2.0730 1.6436 1.4898
propane-1,3-diol NIST 1.1720 0.0739 0.3954 0.4963 1.3347 0.1022 1.6097 1.0537 1.3861 0.3121 1.6836 0.1632 4.3011 0.6609 0.0627 0.1415 0.0531 0.1412 0.8987 1.7251 2.2228 0.8870 1.7241 2.0401 3.8760 0.2765
pseudo uridine 0.6498 2.2281 2.1124 0.9198 2.5933 0.6652 0.1508 0.2616 0.4164 0.5977 0.4086 0.7857 0.3014 1.6126 0.6371 0.9819 4.9511 1.1868 0.6927 0.3022 0.3432 0.4918 0.5521 1.7403 1.7882 1.0812
putrescine 0.4594 1.1678 1.5976 2.2793 1.4204 3.0616 0.1874 0.4662 1.1744 1.2972 0.6100 0.0456 0.3434 0.7282 4.0958 2.1139 0.5373 2.1707 0.0334 0.6406 0.1334 0.8393 0.3032 0.9238 0.8640 0.7618
pyruvic acid 0.8971 0.4017 1.1479 2.5478 1.1779 0.2514 2.3544 1.4728 3.0207 0.8153 0.7699 0.2253 1.7498 0.5314 0.3004 0.9583 1.1858 0.2702 3.4972 3.2110 2.1167 0.9059 0.1401 0.8697 0.7588 0.4235
raffinose 1.2004 0.0133 0.0139 0.0233 0.0493 0.0421 9.6615 6.2073 0.4201 0.0078 0.0062 0.0059 0.0539 0.0070 0.0286 0.0046 0.0212 0.0105 0.1459 4.5965 12.6782 0.0336 0.0265 0.0749 0.0098 0.0318
ribitol 0.9331 1.3418 1.3038 0.8965 1.5430 1.1341 0.7306 0.4584 1.0885 0.5896 0.8360 0.4319 1.0368 1.5734 0.3323 0.8333 3.0617 0.5467 4.3055 0.4118 0.5029 1.2263 0.1656 1.4936 2.3990 0.5036
ribonic acid 0.9299 0.7139 0.9321 1.6054 2.5695 1.9431 1.5312 0.5802 1.6252 0.1938 0.8642 0.2356 1.0177 1.4900 0.2205 0.4526 2.5703 0.2614 2.5930 0.9846 1.4575 1.6543 0.4108 1.1668 0.5355 0.6564
ribose 1.0780 1.6383 1.6588 2.4260 0.9470 0.8102 0.5787 0.5263 0.6733 1.2799 1.4091 0.2399 0.8601 0.4988 0.2312 1.8962 1.4497 1.2828 0.2508 0.8779 0.4888 0.6428 0.9929 0.3836 0.3421 0.8755
sarcosine 1.6933 0.3540 0.5598 1.1840 1.0536 0.7812 0.1685 0.7209 1.1969 0.5576 0.5952 0.2647 1.9512 0.2882 0.4142 1.7981 0.4689 0.8258 0.3259 1.4304 1.9687 1.1217 0.9748 0.8675 0.6102 0.4864
serine 1.2408 1.1650 1.8168 0.7467 1.3613 0.5156 0.3414 0.5103 0.4842 0.7627 0.9773 1.4274 0.9657 1.1845 0.9697 1.7153 0.8834 1.0633 0.4643 0.2407 0.5809 0.3444 0.9356 0.9253 1.5214 1.1205
shikimic acid 0.9957 1.1563 1.5707 1.8845 1.3151 1.4775 0.6845 0.7157 0.7568 0.8467 0.9221 0.4827 1.1041 0.7668 0.8129 1.0354 1.8737 0.8447 2.4860 0.1753 0.6423 0.7992 2.2131 1.2818 1.0697 0.5447
sinapinic acid 0.5599 0.3718 0.8658 2.9329 1.4564 1.3979 0.1086 1.4965 3.1116 0.3271 0.9303 0.1682 0.6350 0.5282 0.1080 0.1027 0.3629 0.3847 9.7139 0.1382 0.3094 2.4251 0.3579 1.4096 0.7147 0.5173
sophorose 1.4428 0.0580 0.1666 0.1441 0.9784 0.5981 5.0217 5.1795 0.0790 0.1090 0.0531 0.0465 0.5478 0.1635 0.0304 0.1512 0.3299 0.2363 0.1488 3.1657 9.9907 0.5603 0.0405 0.0502 0.0902 0.0944
sorbitol 0.9822 0.3239 0.3982 0.4626 0.7417 0.5901 0.5511 2.0794 0.7377 0.2654 3.3193 0.2790 5.4097 0.4094 0.1186 0.4812 0.8141 0.2496 0.9572 2.1847 0.5706 1.0267 0.3753 0.5217 2.4971 0.2431
squalene 0.7060 1.8159 0.4960 0.4167 0.4589 2.1764 0.3046 0.4735 1.1476 1.5924 0.9299 0.8125 0.2843 1.0149 1.2258 0.4771 0.3410 1.7339 5.4281 0.3740 0.2105 0.8982 2.6210 0.4526 0.1612 0.9411
stearic acid 0.7716 0.8064 0.6936 0.6733 0.7823 0.8689 1.0701 1.4331 0.8773 0.7214 0.9412 0.4506 0.9349 0.7866 0.9477 0.6853 0.8069 1.5034 1.2836 0.8049 0.8573 1.3324 1.1906 1.9095 0.6047 1.2447
succinic acid 0.7560 0.0982 0.1147 0.3575 1.2830 0.6761 4.4322 0.3148 1.6697 0.0108 2.2334 0.9798 2.7301 1.4540 0.0142 0.1758 0.0905 0.3077 0.3349 6.3950 0.2934 0.1520 1.6041 2.7864 2.9278 1.1552
sucrose 0.7445 0.0448 0.0926 0.2173 0.1505 0.0463 4.3526 3.6036 0.2342 0.0512 0.0646 0.0042 10.5867 0.1627 0.0059 0.0991 0.6551 0.0692 0.3295 1.2336 6.8067 0.3140 0.0042 0.3826 0.0472 0.0879
tagatose 1.2714 0.4526 1.0428 1.4094 2.3395 0.2050 2.6655 1.2515 0.8811 0.3307 1.6708 0.3085 1.3596 0.4359 0.8386 2.4624 2.2536 0.3170 1.1120 0.6114 1.1342 0.7569 0.4729 1.5443 0.4341 0.3476
taurine 0.2968 4.4731 1.6549 0.8368 2.7612 1.2934 0.0556 0.0931 2.2236 0.5376 0.0675 2.2246 0.0718 2.1249 0.1231 0.0490 3.1285 0.4268 0.0774 0.0320 0.3128 3.6300 0.0387 0.5165 0.3615 0.2729
threitol 0.8216 0.8006 1.1458 1.8435 2.0726 1.2282 0.4467 0.2631 0.8371 0.5780 0.8721 0.2931 1.9298 2.2398 0.2782 0.7607 1.8319 0.6498 1.6835 0.6906 0.5079 1.0523 0.3266 2.9311 2.0631 0.8435
threonic acid 1.5752 1.4916 1.3903 0.9912 2.6032 0.2244 0.8974 0.5990 0.8947 0.2148 0.7030 0.2325 1.2006 0.8811 0.4066 0.5534 4.3375 0.2948 0.6894 0.6445 0.6513 0.4902 0.3998 1.0293 2.2517 0.3497
threonine 0.8980 0.8002 1.1853 0.9002 1.0083 0.7277 0.7492 0.7480 0.2782 0.8635 1.8282 0.7919 2.4570 1.3173 0.6662 1.3641 0.7441 0.6378 0.3147 0.6344 0.7591 0.3715 2.4345 1.9345 2.9955 1.0110
thymidine 0.3508 1.7374 2.8978 3.0499 1.6409 3.2761 0.2118 0.0859 0.4873 0.9352 0.4644 2.1137 0.1094 1.0759 0.2805 0.7717 3.2229 0.8113 0.8190 0.2196 0.1544 1.7475 0.5567 1.4212 0.1955 1.0992
thymine 0.9226 1.6335 1.4056 1.5578 0.3366 1.2721 0.3156 0.3310 0.5467 0.8601 0.7180 0.7041 0.5999 0.7731 0.6147 1.5857 0.8095 1.6131 0.7181 0.5406 0.3110 1.2373 0.7386 0.8901 0.8537 1.3671
tocopherol acetate 0.8544 1.1030 0.7331 0.9801 0.6931 0.9388 0.8649 0.5108 1.0782 1.8504 1.4998 1.4776 0.8309 0.7854 0.2588 0.2957 0.5177 1.4039 0.3343 0.8346 0.7189 1.1127 0.1643 1.3754 0.7570 1.4614
tocopherol alpha- 0.7417 1.1771 0.6892 1.4031 0.9603 1.3669 0.4865 0.5657 1.0776 1.1736 0.8551 0.5131 0.9981 1.2338 1.5747 0.8922 1.1065 1.0578 2.8721 0.8325 0.5900 1.0884 2.6244 1.2263 0.8049 0.9512
tocopherol beta- 0.8125 1.1974 0.4746 0.8173 0.7437 1.0809 0.4394 0.3592 1.0919 1.2874 0.8788 0.7843 0.7624 0.3295 1.3468 0.5998 0.7689 1.7866 3.1483 0.4021 0.6020 1.2605 1.8147 0.6064 0.4108 1.0875
tocopherol delta- 0.7474 1.2278 0.5451 0.7278 0.4229 1.3615 0.3473 0.4222 0.9729 1.2540 0.7274 0.5573 0.4969 1.0064 1.3763 0.4572 0.5889 1.3893 4.5352 0.1979 0.2186 1.3918 2.2196 0.5694 0.3440 1.5183
tocopherol gamma- 0.7306 1.4994 0.2727 0.5363 0.3980 1.7026 0.3051 0.2570 1.3952 1.5868 0.8389 0.8009 0.2934 1.4129 1.1343 0.3362 0.3541 1.5270 3.1029 0.3090 0.2252 1.5435 1.9083 0.3095 0.1959 1.5668
trans-4-hydroxyproline 1.2315 0.7318 0.7861 0.7336 0.9068 1.9698 0.6994 0.4806 1.6490 0.4311 0.6965 0.3411 0.9083 1.1603 0.7803 1.1342 0.3374 0.4755 0.9759 0.5811 0.8573 1.7678 1.6260 0.8757 0.7802 1.3242
tryptophan 0.9785 1.7778 1.0026 1.5435 1.3494 3.3884 0.8940 1.1785 0.1016 1.1724 1.2939 0.9846 1.1266 0.2564 2.2305 0.3910 1.4517 0.5864 0.2551 0.7918 1.1481 0.3434 1.5648 0.0356 0.8981 1.0385
tyramine 0.5350 0.7403 1.0778 1.4794 0.5778 1.6857 1.4908 1.4034 3.0577 1.1599 0.9987 0.7887 0.2076 1.5474 2.3894 1.3687 0.2089 0.8110 3.6916 1.1976 1.2736 1.3212 0.1264 0.6243 1.1121 0.8804
tyrosine 1.0525 1.4644 1.1107 0.5758 1.4160 0.5282 0.1374 0.1413 0.2395 1.7840 1.1284 2.0860 1.8516 1.2855 0.6601 0.8800 1.4291 1.0315 0.7422 0.1923 0.1261 0.2981 1.4530 1.0542 1.2632 1.1254
tyrosol 0.4614 0.6527 0.8014 0.5963 0.3234 0.5133 0.0368 0.1126 0.4320 2.0850 0.4897 2.7310 0.0841 0.5829 0.9815 0.7619 0.5530 0.9039 2.1927 0.0644 0.2564 0.9920 0.3740 0.2050 0.2728 4.1569
UDP-glucuronic acid 0.7580 1.0983 0.7418 2.8887 1.6794 1.4242 2.3474 2.1320 0.4396 1.0884 0.9581 0.4777 0.9881 0.6164 0.2244 0.5644 0.4100 0.5029 0.3389 2.3122 3.2024 1.1325 0.3723 1.9740 0.8005 0.5704
uracil 1.0610 2.6560 1.6659 0.8221 0.4824 0.9668 0.1617 0.1425 0.2924 0.8910 0.8357 0.7102 0.5670 1.8823 0.6155 1.6513 0.7132 1.3980 0.2584 0.3716 0.0443 1.1445 0.8087 0.6607 1.0743 1.0493
urea 1.0957 0.6832 1.5057 2.1434 2.5059 0.0275 1.2661 1.3319 2.3493 0.0220 0.0321 0.7578 0.1683 1.1931 0.3382 0.0333 1.5380 0.5167 2.0280 1.4076 2.4220 0.9861 0.0149 1.6983 2.7979 0.5812
uric acid 0.9311 4.2197 1.6733 0.4617 0.7639 0.1537 0.1965 0.3563 0.5562 0.4263 0.1900 0.5195 0.3369 0.9295 0.9424 0.9873 5.6272 1.7130 0.2353 0.0673 0.8880 0.1124 0.4297 0.1054 2.7612 0.7900
uridine 0.5986 2.2604 1.0079 1.7078 0.4717 1.8210 0.5541 0.5621 0.6642 1.0941 0.3348 2.1632 0.6315 0.4473 0.4075 0.3973 0.2661 1.3909 2.3038 0.8858 1.6825 2.1614 0.4101 0.6085 0.5033 0.8536
urocanic acid 1.2926 0.4415 1.7567 0.3940 1.1942 0.6175 0.0802 0.1267 0.1128 1.5240 1.5179 1.6480 0.5805 2.4061 0.2656 1.4612 1.2255 1.2074 1.1365 0.0543 0.1501 0.1131 2.1364 0.1528 0.5088 1.3320
valine 0.9922 1.2897 1.4350 0.7790 1.0680 0.6500 0.4580 0.5831 0.3716 1.3913 0.8788 2.2234 0.8669 1.2458 1.4380 1.1859 0.9183 1.0989 0.3843 0.2986 0.5069 0.3107 1.4305 0.8151 1.6905 1.3853
vanillic acid 0.9938 2.0128 1.2566 2.2044 1.3537 2.2518 0.3114 0.4465 1.2803 1.2393 1.4130 0.2390 0.7444 1.8564 0.6080 1.0982 1.4881 0.4573 1.7671 0.5369 0.2173 1.0716 0.6351 1.9675 0.1848 0.5832
xanthine 1.2612 4.1593 1.2407 0.9281 0.4662 2.0724 0.0219 0.0711 0.4344 0.9505 0.4703 0.9628 0.0937 1.5766 0.5301 1.4882 0.6666 1.6361 0.2802 0.1630 0.0306 0.3570 0.6048 0.2820 0.6414 0.9864
xylitol 0.6901 1.1068 1.0052 0.3344 1.4943 0.3662 2.0727 0.5869 0.6171 1.4310 1.5374 0.3305 3.6485 1.1397 0.4064 0.6382 2.1086 0.4109 0.8345 1.1148 1.6153 0.6381 1.5212 1.3102 0.5682 1.0408
xylonic acid isomer 0.7351 0.9934 0.6989 1.3286 1.4119 0.2519 0.8319 0.8966 0.9553 0.9377 0.4641 0.1495 1.0271 1.2794 3.1369 1.5173 1.1821 1.5580 1.2564 0.5188 0.7817 1.4395 0.3311 0.9563 1.5524 0.6954
xylose 1.7682 1.4706 1.1495 3.8003 0.8361 0.9626 0.7350 0.1825 0.2322 1.0933 1.9357 0.1459 0.4756 0.0773 0.1397 1.5600 0.5888 0.6803 0.2080 0.2353 0.3094 0.9223 0.6918 0.7767 0.1883 0.5044
xylulose NIST 1.1222 0.9639 1.1614 4.4745 0.8515 0.6713 2.6723 2.1786 0.8491 1.0011 1.4722 0.1077 0.8380 0.1531 0.1321 1.6956 1.0755 0.6183 0.1920 1.5283 1.9394 0.6731 0.7409 0.4909 0.2278 0.3976
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Factors:

F1Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-
F2Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):10
F3Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):5
F4Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):7
F5Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):7
F6Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9
F7Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):5
F8Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):7
F9Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9
F10Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):10
F11Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):5
F12Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):7
F13Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):7
F14Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9
F15Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):10
F16Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):5
F17Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):7
F18Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9
F19Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):10
F20Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):5
F21Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):7
F22Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9
F23Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):10
F24Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):5
F25Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):7
F26Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9
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