Data for (Study ST000979)

(Analysis AN001603)

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

MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37
1,2-anhydro-myo-inositol NIST 0.9592 0.6797 1.2915 1.5481 1.0312 1.5779 1.4859 0.5613 0.9994 1.3760 0.9943 1.3384 1.0798 0.6921 0.5179 1.3101 0.4322 0.5193 0.4166 1.5907 1.1416 1.1727 1.7329 1.6203 0.9423 1.0098 1.1427 1.3524 1.2718 0.9859 0.9593 0.6961 0.6252 0.2123 0.1613 0.4573 0.4350
1,5-anhydroglucitol 0.9334 0.4680 0.6462 0.3634 0.7153 0.3704 0.2945 1.5992 0.9378 1.2508 1.5522 1.0501 1.3124 0.0720 0.2316 12.7408 0.1681 0.2009 0.2272 0.3890 1.5642 0.4432 0.7161 1.0509 0.3229 1.5587 2.1718 1.8599 1.2283 0.8939 1.9472 0.1979 0.2319 0.2082 0.7123 0.2200 0.2502
1-hexadecanol 2.2402 0.7277 1.7401 0.5667 0.4111 0.6871 0.7324 0.2647 0.3565 0.2621 0.3086 0.3233 0.4803 0.3459 1.1029 0.8155 0.4098 1.1288 1.2459 1.2758 0.6905 0.2767 0.6226 0.7858 0.4164 0.2435 0.4523 0.6452 0.2501 0.3246 0.2714 1.7175 1.7641 0.9193 0.2528 1.1468 1.4275
1-kestose 0.5362 0.0095 0.0179 0.0197 0.0704 0.0095 0.0132 1.9586 1.5400 1.2528 7.4530 2.6543 4.6610 0.0004 0.0009 0.0037 0.0018 0.0015 0.0019 0.0179 0.0051 0.0251 0.0570 0.0925 0.0012 2.9317 7.4891 2.5449 4.4867 2.3989 0.0080 0.0333 0.0014 0.0008 0.0069 0.0015 0.0034
1-methyladenosine 0.4105 0.2269 0.3139 1.4945 1.0543 1.4152 1.4262 0.8445 0.7899 3.5093 1.8869 1.5636 0.6764 0.5391 0.3617 0.3173 0.2388 0.2917 0.0495 1.4484 0.9997 0.8957 4.2293 2.0757 0.8769 1.5252 1.0714 4.0126 1.8118 1.3000 1.4416 0.0921 0.1416 0.1177 1.3580 0.2192 0.4743
1-monoolein 1.0055 0.3252 0.1334 0.1596 0.8770 0.1377 0.1625 0.0826 0.0809 0.9350 0.1289 1.5522 1.4321 0.1105 0.0473 0.4447 0.1985 0.0395 0.1858 0.3774 0.1884 0.1668 0.3622 0.5791 0.1970 0.1630 0.1468 0.4154 2.0149 1.2990 0.7408 0.3296 0.0124 0.0138 25.3272 0.0988 0.1089
1-monopalmitin 2.1022 1.0452 1.1790 0.2840 1.3099 1.0922 0.4823 0.8825 0.5546 0.4342 0.5796 0.5236 0.6677 0.4681 0.3074 0.9223 0.2642 0.1269 0.7840 0.5323 1.0827 1.1251 2.8293 1.3107 0.6619 0.8278 0.4677 0.7800 0.5822 0.7227 0.6484 0.7870 0.3114 0.0723 1.5236 0.4243 0.1105
1-monostearin 0.8256 1.1354 0.7087 0.5673 2.4866 0.9178 0.3055 0.5140 0.8263 0.6610 0.6542 4.0458 3.1500 0.4812 0.6311 0.3511 0.1762 0.1210 0.3792 0.7261 1.1677 0.3354 0.7277 1.7422 0.3531 0.5111 0.9095 1.0784 0.4772 2.2752 1.6368 0.4998 0.0432 0.0622 0.4016 0.3297 0.2449
2,3-dihydroxybutanoic acid NIST 1.3948 1.4766 1.0749 0.9957 0.7638 1.3182 0.8656 0.2885 0.4073 0.5544 0.6449 0.4950 0.4696 1.4257 0.5488 1.1994 1.9405 1.6265 1.1287 1.3578 1.0919 0.8373 1.0862 1.1239 0.3790 0.8430 0.5601 0.4243 0.1414 0.6619 1.5162 0.9391 0.8373 0.3564 0.3734 0.6506 2.1272
2,4-diaminobutyric acid 1.3072 1.6151 1.5912 0.4769 0.2957 1.0213 0.8792 0.1713 0.0932 0.1026 0.1822 0.1036 0.0966 1.5308 1.5974 1.1153 0.8602 1.7562 3.1082 2.0124 0.6238 0.5410 0.4587 0.6102 0.7227 0.1666 0.0568 0.1994 0.0719 0.1220 0.3072 1.0773 1.5709 3.2724 0.3983 2.3894 1.6037
2,5-dihydroxypyrazine NIST 1.4127 0.4495 1.2567 0.9484 1.1296 0.7872 0.6154 1.5368 1.5156 0.9131 1.2520 1.0320 1.2920 0.3813 0.3483 0.2283 0.4942 0.4954 0.8402 0.4683 1.0990 0.7602 0.7860 1.2442 0.6119 1.6992 0.6825 0.9155 0.9272 1.2199 1.3556 0.1977 0.4424 1.0120 1.5674 0.7578 0.4495
2,8-dihydroxyquinoline 0.7768 0.6594 0.2331 0.5498 0.3439 0.2945 0.3093 1.3298 0.2348 1.9460 1.7948 1.0387 0.8150 1.6947 1.8677 2.3702 0.2656 2.1966 0.4326 0.7685 0.7500 0.5947 0.4852 0.9199 0.4098 0.4242 3.8557 3.2062 0.7302 0.5911 1.7454 2.5555 2.1964 0.0700 0.5885 1.3432 0.3925
2-deoxyerythritol 0.6324 1.2581 1.5479 0.6379 0.3480 1.6842 1.3494 0.2700 0.3408 0.1292 0.2443 0.2554 0.2338 0.4590 0.2027 0.4062 17.4505 0.6034 1.2219 2.5931 0.8813 0.2740 1.2122 0.4873 0.2952 0.3384 0.3561 0.2936 0.0989 0.2550 0.2767 0.7223 0.5129 4.7914 0.4062 0.5895 0.5947
2^-deoxyguanosine 1.0897 1.8327 0.6769 3.0514 1.9984 1.9023 1.5943 0.9159 0.5865 0.5845 0.3122 0.6489 0.7760 0.0300 0.2433 0.0418 0.3077 0.2866 0.1288 5.0311 1.1725 1.1695 1.9841 2.2935 2.1724 0.5993 0.0546 0.4833 0.6691 0.5999 1.2777 0.0379 0.4990 0.1578 0.5339 0.0914 0.0531
2-deoxytetronic acid 1.1491 0.6951 0.8701 1.2430 0.6788 1.1669 1.0861 0.4905 0.3911 0.3624 0.5727 0.5106 0.6253 1.7545 2.0365 1.2678 0.5373 1.6641 1.0876 1.2018 1.6512 0.9246 1.1081 1.1212 1.0431 0.4006 0.4943 0.6788 0.3977 0.4854 0.7448 1.2353 1.9533 0.4408 1.1885 1.2468 1.4026
2-hydroxybutanoic acid 0.9946 0.4259 0.1408 0.7946 0.6076 3.5649 0.5263 1.7005 2.1385 1.1026 1.5149 2.2427 1.4924 0.1702 0.0484 0.1482 0.0673 0.3155 0.2947 0.1418 2.5300 0.3094 0.5276 0.8610 0.0259 3.1689 2.0414 1.5636 1.3536 1.4135 1.3137 0.2290 0.1276 0.0675 0.0258 0.2518 0.5738
2-hydroxyglutaric acid 0.8146 0.7619 0.3543 0.3413 0.5763 0.2433 0.3187 1.0017 1.4287 0.9707 1.0439 1.0477 1.4976 2.3135 0.4076 0.1373 0.4030 0.7436 0.4528 0.4736 1.0797 0.3646 0.3500 2.2223 0.2516 1.7201 0.6162 1.2907 4.0711 2.9881 1.2931 0.2120 0.4885 0.2885 0.5425 0.5013 1.0156
2-hydroxyhexanoic acid 0.7012 0.3067 0.1203 0.0197 0.2419 0.8709 0.2823 1.9495 1.1040 1.8124 2.1226 1.8572 2.0092 0.4743 0.1555 0.1081 0.0532 0.3924 0.3644 0.2005 1.0035 0.1051 0.5969 0.2618 0.0243 3.0290 1.5168 7.8260 2.4832 2.4764 3.0700 0.6907 0.1775 0.0880 0.0481 0.3293 0.5325
2-hydroxyvaleric acid 0.8770 0.3025 0.2779 0.2057 0.1152 1.5836 0.2287 0.0673 1.8408 3.3734 4.2287 0.0784 0.0533 0.1908 0.2065 2.7050 0.5160 0.1712 0.7306 0.4747 0.0973 0.1552 0.2268 0.1713 2.0835 2.5166 4.1143 0.2333 1.1085 1.3876 3.0726 0.2511 0.7385 5.4953 0.0927 0.2161 2.8625
2-ketoisocaproic acid 1.5781 1.5918 0.8425 0.8300 1.0594 0.9825 0.7350 0.5873 0.7629 0.7996 0.9909 0.5976 0.5925 0.4951 0.5883 1.1163 2.0901 0.5532 0.9810 0.9431 0.6044 0.8073 0.7126 0.8985 0.9057 0.8254 1.0269 1.1309 0.4871 0.8739 2.9581 0.7881 0.7095 0.4972 0.7772 0.4380 0.6358
2-methylglyceric acid NIST 0.8504 0.4555 3.0752 0.5741 2.5597 3.0604 2.6783 0.4087 0.2890 0.2287 0.3198 0.4048 0.4619 0.4906 0.1672 0.1292 0.3238 0.3518 0.2777 0.3234 0.8170 0.4160 2.1583 5.0932 0.2236 0.5035 0.2532 0.3981 0.5217 0.4641 0.3948 0.1928 0.1917 0.2762 0.8382 0.3183 0.3373
2-monoolein 2.1042 0.9869 0.7349 0.8184 1.5556 0.9056 1.1824 0.8676 0.6475 0.6094 0.6653 0.8064 0.9692 0.2273 0.0936 0.6293 0.6053 0.4667 0.1035 1.4974 0.7936 1.3223 0.7262 1.8412 0.6309 0.3742 0.5345 1.2323 0.9758 0.5593 0.5949 0.2235 0.0591 0.0310 0.1471 0.2661 0.6684
2-monopalmitin 1.5831 0.4319 0.4582 1.3873 1.2994 0.5699 1.3157 1.0196 0.9194 1.0288 0.9673 1.0895 0.6789 0.8110 0.1082 1.6678 0.1958 0.3276 0.2612 0.6351 1.6996 1.2766 1.1191 1.5508 0.4597 0.8627 1.2607 1.0104 0.9710 0.8557 0.7364 0.3533 0.6444 0.1940 1.6715 0.5422 0.6068
3-(3-hydroxyphenyl)propionic acid 0.8403 4.4833 4.3668 1.4605 0.3963 1.8659 1.4524 0.0284 0.0134 0.0201 0.0270 0.0166 0.0032 0.0171 1.7914 1.9693 0.9369 0.8164 2.5860 5.0781 0.4809 0.7528 1.1699 1.2192 1.8305 0.0263 0.0302 0.0073 0.0162 0.0124 0.0040 1.9264 2.8462 0.4612 0.0030 0.7108 0.0164
3,4-dihydroxybenzoic acid 0.9989 2.0545 0.3965 1.3508 0.3035 0.5780 0.7501 0.5266 0.2962 0.4312 0.3468 0.2995 0.3569 2.9720 1.2470 1.9653 2.8125 0.8434 3.2408 1.1518 0.7295 0.3250 0.5994 0.5126 2.0792 0.7244 0.2680 0.3130 0.4100 0.3959 0.3777 4.2041 1.0744 0.7535 0.0820 1.4911 1.3725
3,4-dihydroxycinnamic acid 1.0142 0.9072 0.3292 0.2713 2.1391 1.5269 1.1851 0.5444 0.4076 0.3707 0.2518 0.8653 2.2509 1.3991 0.2965 0.3309 0.0601 0.3137 0.2663 0.4254 5.4524 1.2449 1.4181 2.3013 0.5975 1.1278 0.4970 0.7661 3.9650 0.6471 0.3937 0.4934 0.2368 0.0344 0.1625 0.4854 0.0885
3,4-dihydroxyhydrocinnamic acid NIST 1.5782 0.5053 1.0495 1.0223 0.7567 1.2379 2.1314 0.3499 0.1394 0.1795 0.2886 0.4245 0.4029 1.8394 1.0310 0.0837 1.4790 1.2174 1.5178 1.0604 0.4781 0.6787 1.6344 0.9653 0.4435 0.6898 0.3504 0.3469 0.7616 0.2617 0.5253 0.3118 1.3146 2.7866 0.0673 0.8619 1.1973
3,4-dihydroxyphenylacetic acid 1.3564 1.5820 1.9895 1.1165 0.6560 0.6792 0.9948 1.8719 0.6875 1.2391 1.6450 1.1745 0.8258 2.3788 0.1623 0.4489 0.3048 0.2278 0.4978 2.6124 0.3943 1.0105 0.7140 0.7692 1.7311 1.0536 2.5213 0.9144 0.8614 0.5997 1.4280 1.0652 0.1607 0.5566 0.3297 0.3164 0.1044
3-(4-hydroxyphenyl)propionic acid 0.7755 2.5575 2.8935 1.3273 0.9057 2.1141 1.9011 0.1681 0.0207 0.1586 0.1121 0.3179 0.0990 1.1164 1.5120 0.5041 0.1510 1.0634 1.4515 3.4373 0.6127 2.0312 2.7119 1.7510 1.5378 0.5139 0.1157 0.2557 0.2694 0.1467 0.1544 2.5264 1.0396 0.4579 0.4241 0.9716 0.4239
3,6-anhydro-D-galactose 0.8945 0.3749 0.6470 0.6341 1.8107 0.7328 1.1509 2.7083 0.4956 0.9595 0.6105 0.9333 1.1469 0.5894 0.8961 0.7128 0.3007 0.7075 0.4231 0.1872 0.8119 1.6283 1.6910 2.4584 0.6031 1.0883 1.3751 0.8800 0.9650 1.0341 0.4109 0.4915 0.6120 0.2335 0.4769 2.2452 0.8097
3-aminoisobutyric acid 0.5697 0.8552 0.3890 1.2084 0.6597 1.2078 0.6408 0.0412 1.4891 2.4239 3.2447 0.6152 0.4162 0.0843 1.6769 1.9986 1.2517 1.6514 1.0477 0.4330 0.9176 0.1662 0.2469 0.2407 1.5182 1.9010 2.8868 1.9176 0.7962 1.9672 1.0826 0.2718 0.5318 1.3772 0.1148 1.0121 2.4435
3-hydroxy-3-methylglutaric acid 0.7572 1.0444 0.8070 0.3798 0.1424 0.6549 0.2859 0.0993 0.0928 0.0842 0.1856 0.0917 0.0701 2.5160 0.5006 1.0573 1.7759 3.0382 1.2839 0.3560 0.7941 0.4445 0.2201 0.4402 0.2891 0.0712 0.1489 0.1403 0.1338 0.0849 0.1597 1.0638 2.5829 0.5891 18.0350 0.3496 2.8332
3-hydroxybutyric acid 1.7405 0.7187 1.7052 0.4013 0.2034 0.9735 1.0604 0.7475 0.3217 0.8883 0.8041 1.0269 0.5698 0.7486 1.8547 0.4268 0.3980 0.3344 0.5635 4.3964 0.1246 0.1951 1.5924 0.6730 0.0542 0.9209 0.7239 1.5059 0.4459 0.9438 1.0612 0.5901 0.6519 0.1052 0.3573 1.2585 0.4866
3-hydroxypalmitic acid 1.3153 2.1999 3.7384 2.1138 0.3785 1.2468 1.5768 0.5304 0.4348 0.2399 0.2930 0.3788 0.3927 0.4234 0.6088 0.8670 0.4354 0.3462 1.4904 2.0417 0.2361 0.7822 0.8962 0.8858 2.0423 0.5120 0.4949 0.4753 0.4443 0.5460 0.2348 3.0074 2.0239 0.7829 0.6563 0.4383 0.6031
3-hydroxyphenylacetic acid 0.7740 4.6039 5.0104 0.3596 0.3454 4.0354 1.9877 0.0231 0.0279 0.0214 0.0558 0.0386 0.0475 0.0457 2.1233 1.0112 0.4682 0.1590 0.9667 4.9867 0.6041 2.5310 0.8629 1.0743 6.7658 0.0380 0.0849 0.0154 0.0190 0.0386 0.1418 0.0736 0.1632 0.4498 0.0890 0.2715 0.2130
3-hydroxypropionic acid 1.2136 0.9464 0.3641 0.3431 1.1053 1.9443 0.6834 1.0686 1.0524 0.8572 1.3461 1.0280 0.7502 2.0912 0.4513 0.6179 0.2313 0.4354 1.0990 0.3881 1.6390 0.7211 1.5052 1.6869 0.3429 1.4010 1.7979 2.4386 0.2172 1.0990 0.6312 0.4709 0.8253 0.1066 0.1196 0.4581 0.4168
3-phenyllactic acid 1.1212 1.0258 0.3987 0.0810 0.4267 1.9038 0.6344 0.9350 1.1051 0.7889 0.7584 0.8450 1.1291 1.9966 0.4513 0.5392 0.1262 0.8520 1.4234 0.8140 3.4168 0.2992 0.7100 0.4898 0.0454 2.0946 1.0474 1.7568 2.2500 1.1494 0.7961 1.7439 0.9389 0.1592 0.0343 0.7415 0.9506
4-aminobutyric acid 0.5645 0.1487 0.0329 0.0336 0.2224 0.0392 0.0300 2.9045 1.2584 3.2765 2.7249 1.8459 1.4763 1.3963 0.0713 1.0201 0.0684 0.4040 0.8973 0.1924 0.0351 0.0284 0.0205 0.1255 0.0332 3.5865 2.7349 5.4140 1.4925 3.5999 0.9807 1.0401 1.0445 0.1374 0.0075 0.6061 0.1115
4-hydroxybenzoate 1.2023 2.7064 0.4892 1.4764 0.5467 0.5339 0.7482 0.1376 0.0649 0.0847 0.1153 0.1072 0.0880 1.9818 1.3952 1.6831 0.8030 1.4959 2.2271 1.1728 1.0754 1.2172 1.3491 0.7824 1.6613 0.1892 0.1120 0.1589 0.0926 0.1055 0.1223 2.9233 4.7858 0.7574 0.0410 1.6475 1.2728
4-hydroxybutyric acid 0.8558 0.9967 1.1999 0.7660 0.4928 1.2535 0.8986 0.7023 0.3269 0.4042 0.6674 0.8493 1.1916 0.4960 1.7243 0.4507 0.5537 0.4309 0.5366 1.7231 0.5392 0.9378 2.0247 2.5868 2.5724 1.3060 0.9062 2.4129 0.4066 0.7648 0.8012 0.6101 0.5396 0.3698 0.1262 1.8999 0.3541
4-hydroxyhippuric acid NIST 1.4299 1.2435 1.0131 2.0454 0.6770 0.7106 1.3684 0.6578 0.7634 0.4561 0.7586 0.6770 0.6194 0.4321 0.3505 0.6962 1.5604 1.3396 0.6146 1.6805 0.5906 0.5089 0.7778 1.2403 0.8594 0.7394 0.8690 0.3745 0.3169 0.6274 0.6866 0.6434 2.2470 0.9987 1.5268 0.7490 1.0371
4-hydroxyphenylacetic acid 1.4581 0.3364 1.0499 1.0338 0.6931 0.5488 0.8666 0.0239 0.0176 0.0181 0.1224 0.1158 0.0520 2.4661 0.5374 1.9283 0.3153 1.4974 2.3744 0.7101 0.3985 0.7388 0.8742 0.6568 2.2637 0.1557 0.2197 4.2779 0.0169 0.0251 0.3350 3.9332 2.3288 0.2210 0.0257 1.2553 1.4528
4-methyl-5-thiazoleethanol 1.0030 1.2279 1.0796 1.9514 0.7107 1.1194 0.8520 1.4353 0.3547 1.3396 1.6115 0.7618 1.0225 1.1885 1.4911 0.9276 1.0626 1.0487 0.9933 0.8498 1.3466 0.9530 0.8036 0.7097 1.6131 1.2127 1.3634 0.5363 0.8936 0.9376 1.2842 0.9206 0.7272 0.2156 1.4283 0.5262 0.8482
5,6-dihydrouracil major 0.9904 1.4605 4.9173 0.2185 0.3979 0.7003 2.5023 1.1385 0.4531 0.4554 1.0235 0.4370 0.6681 1.1017 0.6463 0.2553 0.1035 1.3167 2.0136 1.9872 1.4214 0.2852 1.3593 1.1791 0.8165 0.6670 1.1799 0.3818 0.3565 0.5305 0.3151 1.8975 0.2645 0.1380 0.3289 0.5796 1.9711
5-aminovaleric acid 1.4059 1.6081 1.1240 0.7856 0.9162 1.1519 0.8297 0.1375 1.0299 0.0093 0.3918 0.5370 0.9715 0.6758 0.2363 0.5093 0.6454 0.3896 1.0657 0.8155 0.7813 1.6243 0.6813 0.8694 1.0529 2.2711 0.4630 5.5784 0.0080 0.7948 1.9762 0.6743 0.5503 1.3535 0.0012 0.6881 0.3744
6-deoxyglucose 0.5278 0.3926 0.5045 0.9012 0.2591 0.3964 1.2674 0.2210 0.1391 0.1441 0.1938 0.1733 0.1483 0.5941 4.7660 2.6048 3.6097 3.8448 2.0443 1.6507 0.0135 0.4263 0.2877 0.3677 0.7559 0.1755 0.2584 0.2762 0.1605 0.1378 0.2109 1.4312 3.2075 0.6941 0.5868 3.1372 4.1897
6-hydroxynicotinic acid 0.8905 2.3491 1.9624 0.3407 0.1817 0.9575 0.3690 0.2163 0.0983 0.1555 0.1393 0.2184 0.1301 0.7246 1.8988 0.6193 2.6212 0.5931 1.6273 1.5071 0.2849 0.2920 0.5634 0.4114 0.8907 0.1895 0.3266 0.1548 0.1612 0.1706 0.1350 1.4159 1.0625 0.8144 17.8220 0.5786 0.5832
acetophenone NIST 0.7598 0.9443 1.3062 0.8253 0.4646 0.6646 1.2387 0.4775 0.5773 0.4207 0.4376 0.7215 0.4867 0.3616 0.9044 1.5536 0.6599 0.4199 5.9268 0.9641 0.8944 0.7302 0.5764 1.3889 0.7000 0.8526 0.5695 1.0137 0.5541 0.5200 0.3381 0.5622 0.5691 3.0086 1.1935 1.4037 0.7327
adenine 0.8143 1.3033 2.3731 4.3796 1.3396 2.4852 1.6859 0.4728 0.2737 0.2686 0.2852 0.2819 0.2147 0.0812 1.9748 0.4110 0.9930 0.4312 0.5055 2.3511 0.7323 2.5579 2.2834 1.8403 2.8908 0.5802 0.2477 1.2874 0.4153 0.4126 0.0861 0.4917 0.4006 0.5521 0.1143 0.8953 0.1381
adenosine 1.3602 0.5686 1.1749 0.7060 0.6617 0.6528 0.8213 0.6152 7.6756 0.1607 0.1541 1.4852 1.4858 0.0499 0.1629 0.2139 0.0720 0.0299 0.0853 1.5019 0.5741 3.3340 1.4753 1.6892 0.8258 3.8007 0.1230 0.6240 0.2150 1.0711 0.0687 0.0532 0.2926 0.1640 0.1408 0.1020 0.0233
adipic acid 1.2839 1.1138 2.3235 1.6779 1.3510 1.3558 1.4198 0.3413 0.6108 0.3246 0.4360 0.4324 0.4713 0.9557 1.1653 1.2719 0.5605 0.7965 1.3324 2.1450 1.2731 1.0983 0.8887 1.3522 1.1174 0.3701 0.6324 0.7090 0.2359 0.3853 0.3940 0.8144 0.3473 1.3186 1.1809 0.7737 0.8432
alanine 0.9282 0.7499 0.7088 0.7231 0.6229 0.7226 0.6734 0.9103 0.6118 1.2785 1.3007 0.8753 0.9329 1.1424 1.5612 1.6806 1.6135 1.4806 1.9202 0.5382 0.5125 0.5434 0.4436 0.5547 0.8843 1.2759 1.0089 1.0503 0.5996 1.0723 1.3184 1.5434 0.9603 1.8123 0.6671 0.9486 1.7401
alanine-alanine 0.9616 0.7999 0.9995 1.6123 0.6533 0.6574 0.5425 2.5011 0.8647 2.1002 2.1377 1.5314 1.8306 0.3192 0.3244 0.3590 0.2016 0.5920 0.4790 0.8005 0.7228 0.6819 0.4671 0.7405 0.7646 2.3616 2.6976 1.3236 0.8717 1.8194 0.8275 0.5397 0.4567 0.1256 0.4073 0.8508 0.8543
allantoic acid 2.4232 0.0721 0.1003 0.0271 0.0674 0.6146 0.2075 0.3805 0.9322 1.6756 2.0931 2.2428 1.5242 0.1198 0.2141 0.0885 1.0868 0.9235 0.1129 0.1085 0.8497 0.0762 0.0469 0.2090 0.5548 3.0136 0.0921 0.3100 1.5698 1.4129 0.3799 0.1475 0.1028 0.4728 0.0551 0.1738 0.2431
alpha-ketoglutarate 2.4194 1.9040 0.6262 0.7348 0.8647 0.6144 0.4781 0.0788 0.2279 0.1320 0.1981 0.2215 0.1821 0.1065 0.1768 0.5367 2.9987 0.3365 0.5218 0.5729 0.6240 0.7433 0.4196 0.7163 1.0564 0.1044 0.1470 0.1193 0.1746 0.1541 5.4309 0.2172 1.5547 1.6783 1.4844 0.4313 0.2918
aminomalonate 1.4375 0.3495 0.3532 0.3011 1.3389 0.4836 0.8704 1.0808 0.7496 0.6175 0.4149 0.6032 0.7979 0.3312 1.0882 0.0851 1.3073 1.1623 0.3015 0.6365 0.6883 0.4415 0.3863 0.6478 0.4366 2.0312 0.5027 1.5366 0.3956 1.3606 1.5393 0.6044 1.0171 2.9284 0.2527 2.3675 1.5754
arachidic acid 0.9597 1.6512 1.3255 0.9598 0.7480 1.1844 1.0956 1.1050 0.5327 1.0680 0.7750 0.9611 1.2173 0.9515 0.4852 1.2124 0.6337 0.7156 1.1281 1.8141 1.4478 0.6523 1.2305 1.0694 0.6237 1.0329 1.4817 1.1303 1.0984 1.0455 0.5352 1.2976 1.3000 0.5490 0.1990 1.0298 0.5943
arachidonic acid 1.6545 2.4288 1.0899 1.0222 0.9852 0.8081 0.4851 1.6738 1.2317 1.4066 0.9640 1.1626 0.9084 0.4889 0.2934 0.4453 0.6313 0.1591 0.3353 0.9355 0.5899 0.7989 1.0355 0.8361 0.7941 1.3271 1.5608 1.7671 0.9038 1.3816 0.7858 0.4464 0.3477 0.1453 0.0224 0.5979 0.1128
asparagine 0.6954 0.4742 0.3853 1.4915 0.6874 0.4100 0.4584 0.5808 0.2975 0.7756 0.9880 0.5933 0.8805 1.0586 0.7304 0.5385 0.7392 9.4612 0.2264 0.6891 0.5854 0.6094 0.4933 0.6043 0.7540 0.2315 0.2396 0.7798 0.4555 0.6369 3.1792 0.9855 0.6612 0.3652 2.0296 0.5526 0.6567
asparagine dehydrated 0.5940 0.2963 0.2695 0.9100 0.5659 0.3007 0.2768 0.7379 0.3183 0.9558 1.3062 0.7133 1.1217 0.1735 0.1063 0.2408 0.4021 12.7402 0.2062 0.1789 0.5196 0.4143 0.4172 0.5501 0.2715 0.1491 0.2612 0.9431 0.4274 0.7010 3.5224 1.1634 0.6024 0.1984 0.5659 0.2045 0.6682
behenic acid 0.8793 1.9276 1.7156 0.9217 0.5860 1.1614 0.9582 0.6534 1.4678 0.5408 0.8550 0.9954 1.0650 1.0755 0.4702 1.1932 0.6547 0.4942 1.1845 2.4341 1.2530 0.6381 0.9039 1.0447 0.7734 0.9639 1.9234 1.1792 0.8793 1.0692 0.6215 1.4270 1.1988 0.5090 0.9310 0.9317 0.7075
benzoic acid 1.3336 1.1666 1.4365 1.0531 1.1574 1.1437 0.9079 0.4604 0.7981 0.6797 0.6516 0.6882 0.8843 0.4947 0.5110 1.4526 1.0842 0.6294 0.9975 1.7667 0.6188 0.9344 0.8094 1.1889 0.7697 0.8190 0.5821 1.3139 0.5893 0.4793 0.6549 0.7553 3.6457 0.4197 1.2311 0.6152 0.7377
beta-alanine 1.4119 3.1707 4.1038 0.2995 0.2542 0.6602 0.1445 0.1271 0.0955 0.2251 0.4447 0.2300 0.1350 0.5239 2.8460 0.3682 1.1180 0.5244 3.3752 1.1425 0.1537 0.4676 0.2251 0.3406 0.1690 0.1294 0.2796 2.3000 0.3011 0.2204 0.5423 1.1262 2.8189 2.4361 2.6921 0.9213 0.4445
beta-gentiobiose 0.7233 0.4011 0.3304 0.2927 0.3814 0.7112 0.9155 0.5610 1.3943 2.6605 2.9899 1.8723 1.6775 0.2102 0.3173 0.1734 0.1881 0.5860 0.0398 0.6079 1.3544 1.6539 3.0134 0.6162 0.1442 2.1587 3.8980 3.1611 1.5523 1.1090 2.5527 0.2102 0.3300 0.0548 0.2041 0.8978 0.6724
beta-glutamic acid 3.2234 0.2522 0.0068 1.2652 0.0239 0.0902 0.1056 0.1838 0.0530 0.0898 0.0795 0.6215 0.0778 0.0786 0.0633 0.1462 0.1069 0.1428 0.2659 0.0769 1.5533 0.0590 0.0479 0.5836 0.0547 0.1564 0.0573 0.3419 0.0462 0.2408 2.9056 0.1761 0.2684 6.5550 2.3662 0.1017 0.2445
beta-mannosylglycerate 0.6491 0.2320 0.3779 0.1962 0.2733 0.1925 0.2095 3.0848 0.8243 1.1948 0.4547 2.9220 3.5051 0.1336 0.3820 0.1502 1.3551 0.1192 0.1309 0.2070 0.1915 0.1708 0.4311 0.8023 0.1577 2.1110 0.3291 2.4925 2.2406 3.7780 1.1721 0.1711 0.1149 1.6677 1.9954 0.2410 0.3676
beta-sitosterol 0.8740 2.1268 0.0531 1.6541 1.1926 1.2403 1.6272 0.0078 1.1925 0.0294 1.2382 1.0793 1.1753 1.1717 0.0171 2.0089 1.3257 0.7462 0.4890 0.0236 1.8245 0.0390 1.2357 0.9724 1.3826 0.9637 1.7142 0.6156 0.0216 0.5684 0.0058 1.8121 1.9602 0.0329 4.9499 0.8886 0.6721
biphenyl 1.0505 0.5320 1.0361 0.6349 0.4097 0.5545 0.4076 0.9310 0.4590 0.5663 0.3818 0.6296 0.8226 0.2553 0.1909 0.5727 0.7186 0.4408 3.6595 0.7122 0.4977 0.5084 0.7057 0.6693 0.5684 0.5856 0.4097 0.3089 0.7701 0.4462 0.3454 2.0099 0.2209 2.8272 0.2231 6.2067 0.2746
butane-2,3-diol NIST 0.5092 0.0971 0.1095 0.1509 0.6732 17.2684 0.3801 0.1822 0.2712 0.0732 0.4314 0.1817 0.1414 8.1417 0.0486 0.1592 0.0418 0.0689 0.6282 0.4190 0.1465 0.2224 0.3062 0.1864 0.1056 0.1727 0.1055 0.1557 0.0748 0.1187 0.1007 0.0577 0.0412 1.4394 0.1064 0.0997 0.1126
butyrolactam NIST 0.6419 0.2152 0.1456 0.0933 0.3534 0.1542 0.0954 2.3087 1.3850 2.6056 2.0116 1.4954 2.2328 1.0890 0.1429 1.0367 0.7914 0.3794 0.7392 0.3864 0.1448 0.1173 0.1384 0.3139 0.0671 3.5820 1.7943 6.2704 1.1781 3.2450 0.7649 0.7400 0.8708 0.2036 0.1279 0.6912 0.1229
capric acid 1.2691 1.4411 0.4145 1.3008 1.3199 1.1711 0.7747 0.7184 0.7163 0.8523 1.0181 0.8417 1.1350 0.6355 0.5144 1.9809 0.6461 0.3900 0.7248 2.3827 0.7120 0.7290 0.8927 0.7503 0.9458 1.3135 1.0776 1.7131 0.7503 0.9430 0.8778 0.6461 1.0266 0.3826 2.2530 0.4612 0.7014
caprylic acid 1.1790 1.1025 1.6220 0.8638 1.2593 1.1158 0.7910 0.6066 1.3085 1.0072 1.5503 1.2070 1.3223 0.5656 0.5072 1.2480 0.3924 0.6143 0.4913 2.2788 0.7306 0.8843 1.4232 1.1654 0.5677 1.0421 0.7326 1.3781 0.7961 0.9761 0.8484 1.2552 0.8597 0.2244 1.1486 0.4862 0.3474
cellobiose 0.3005 0.9028 0.4326 2.4430 1.5456 2.2357 1.8716 0.2120 0.5612 3.4695 0.7111 5.0270 0.8563 0.0797 0.0730 0.0533 0.0388 0.5159 0.1220 0.1641 2.7567 2.1606 3.3718 3.1792 0.8372 0.1932 0.4337 0.3773 0.2042 0.2923 0.2416 0.2658 0.0421 0.0229 0.4233 0.1302 0.7455
cerotinic acid 0.5879 1.9777 1.4714 1.2547 0.5811 0.6806 1.2065 1.0932 2.0939 1.0972 0.5890 1.0735 1.2360 0.9928 0.4117 1.8496 0.3427 0.4678 1.1474 3.0610 2.3027 0.4038 1.2922 1.4084 1.0085 1.0302 1.5069 0.8608 1.2508 0.4708 0.5240 1.3513 1.5010 0.2935 1.8339 0.8125 0.6717
chenodeoxycholic acid 1.0982 1.9153 2.7929 0.6158 0.9184 0.8143 0.9981 0.6570 0.3369 1.0938 0.6978 0.5623 0.5529 0.1587 0.4625 1.9410 1.7348 0.5152 1.9210 2.8967 1.4089 0.8690 0.6865 1.1956 0.9927 0.4022 1.2051 1.2568 0.5679 0.5560 0.7480 1.9107 0.0727 1.4423 0.1455 0.6928 0.6224
cholesterol 1.2790 1.2906 1.8021 0.8785 0.5649 0.7875 0.8898 0.8442 0.6649 1.1894 0.6838 0.9062 0.7708 0.6077 0.7903 1.0137 0.7957 0.4496 1.0889 1.4741 1.0887 0.6166 0.7914 0.9828 0.8115 0.7114 1.4752 1.3117 0.6443 0.7282 0.6095 1.2855 1.4994 0.5322 2.5717 1.0487 0.3661
cholic acid 1.5141 2.2196 0.0350 3.7045 1.4777 1.2733 2.7909 0.0032 0.2016 1.2058 1.4150 0.0841 0.3667 0.1739 0.1770 1.4375 0.2169 0.2721 0.0696 4.0727 1.1164 0.0078 1.0782 1.1519 2.6605 0.5428 1.6418 0.0093 0.4736 0.3863 0.0053 0.3116 0.0794 0.0589 1.7580 0.4304 0.0721
cis-gondoic acid 1.3182 1.5014 1.0735 0.5091 0.4672 0.5073 1.0008 1.7618 1.3427 0.9344 0.7275 1.1510 1.1809 0.8497 0.2309 0.9665 0.5831 0.6098 1.0235 1.0512 0.6919 0.3843 1.0378 0.8836 0.4440 1.3579 1.9998 1.1992 1.0485 1.5091 0.2229 1.3900 0.9558 0.4083 0.2238 0.6772 0.6571
cis-sinapinic acid 1.5757 2.1458 0.3106 0.2665 2.6822 1.5105 0.9035 0.2100 0.4535 0.3229 0.7817 0.2418 0.5956 0.4641 0.5188 0.6282 0.1253 0.1738 0.2338 0.5717 4.7345 3.1552 2.3399 2.1187 0.7323 0.0776 0.7270 0.5770 0.6688 0.3182 0.2541 0.4835 0.2418 1.5529 0.3229 0.3220 0.0459
citric acid 3.6812 0.0892 0.0867 0.1161 0.0654 0.0705 0.0208 0.0416 0.0583 0.0791 0.0537 0.0786 0.0568 0.1744 0.0431 0.1019 0.0512 0.1805 0.0743 0.1698 0.0456 0.0512 0.0684 0.0847 0.0411 0.1115 0.1526 0.0826 0.0776 0.1308 0.1333 0.0679 0.2656 0.2525 13.1353 0.0659 0.1506
citrulline 1.5637 0.7764 0.9835 0.6390 0.9596 0.6396 0.6748 0.9992 0.5243 0.5167 0.6565 0.6199 0.6007 0.2122 1.0492 0.2071 2.5649 1.3283 0.8298 0.6637 0.7027 0.7243 0.4587 0.6097 1.0595 0.7970 0.5343 1.3615 0.4422 0.6702 0.6170 0.2943 1.2106 5.6005 0.2512 0.7279 1.3117
conduritol-beta-epoxide 1.0424 0.7194 0.2452 0.3671 1.6070 0.5064 0.5654 3.3968 0.7214 2.3391 2.5602 1.4023 1.7627 0.1628 0.0978 0.1541 0.1922 0.1728 0.0616 0.3443 0.8031 0.5814 0.9706 0.9970 0.2740 1.9680 2.6854 6.7032 1.0316 1.1823 2.1696 0.0985 0.0717 0.0630 0.1956 0.1933 0.1440
creatinine 1.7497 0.0520 0.0949 0.4482 2.3779 0.7900 0.8029 1.5530 1.0641 0.6930 1.2585 0.9485 1.2446 0.1454 0.0367 0.1785 0.3358 0.1826 0.0500 2.8999 0.1358 0.5218 0.9467 1.5050 0.1499 5.6158 0.2737 1.5687 0.7622 0.9362 1.8845 0.0345 0.0460 0.0893 0.0164 0.0532 0.1031
cysteine 0.9985 0.7793 0.6158 1.0145 0.8300 0.5982 0.6169 3.7966 1.2910 1.9019 2.4241 1.4982 2.6919 0.1806 0.0546 0.0379 0.0751 0.1333 0.1419 0.2494 1.1822 0.5626 1.1662 1.1041 0.2737 2.1509 1.2362 1.4321 1.7675 1.7214 3.1322 0.1334 0.0668 0.2505 0.2568 0.0952 0.1271
cystine 0.8477 0.1882 0.4530 0.2871 2.0389 0.4253 0.9860 0.9302 1.7391 0.8477 1.0514 0.8846 2.3386 0.5732 0.8933 1.4084 0.2435 0.6858 0.4059 0.4006 0.6062 1.2076 1.2328 1.3880 0.1581 1.9525 0.2202 1.3337 2.4404 1.1048 2.2784 0.8410 0.6722 0.2076 0.5742 2.1945 0.5762
cytosin 0.7718 2.2467 4.3086 2.7351 2.0303 4.1203 2.2583 0.1630 0.1778 0.1328 0.1729 0.1416 0.1367 0.1813 3.6101 2.1265 1.1139 0.2372 0.3162 4.1941 1.4083 0.2207 1.1371 0.9700 0.8040 0.1659 0.2614 0.1862 0.1602 0.1886 0.1040 0.3331 0.8784 0.3528 0.4308 0.8820 0.2143
daidzein 1.2086 1.6516 1.5031 0.5587 0.6828 0.7416 0.5908 2.0130 0.6740 0.9533 1.2260 1.3789 1.0420 1.1218 0.4633 1.1351 0.7405 0.2893 0.7737 1.3568 0.9378 0.6740 0.6584 0.7648 0.6784 1.5186 2.6382 1.4299 1.1706 0.7796 0.7183 1.1706 0.3791 0.7382 2.0219 0.6108 0.4035
deoxycholic acid 2.0252 0.0168 0.0054 0.3170 0.0034 0.6672 0.3058 0.0020 0.1119 0.2239 0.0076 0.0043 0.0124 0.8262 0.0067 0.1339 4.9741 0.4692 2.0965 0.2847 0.0154 0.0467 0.1180 0.6541 1.1996 0.1311 0.1578 0.0128 0.1369 0.0033 0.0186 2.3125 1.1037 0.0310 0.0307 7.0099 0.3915
D-erythro-sphingosine 1.4961 1.9904 3.4776 0.3798 0.4927 0.6557 0.5640 1.1060 0.4583 1.0128 0.9632 1.4364 0.4948 0.5978 0.5157 0.0766 0.3054 0.3119 0.1676 0.9156 1.2646 0.7552 0.6365 0.4562 0.7468 1.1559 0.0547 0.1363 0.6993 0.7836 0.0864 1.9377 2.9963 0.1883 2.6208 2.4769 0.0386
diglycerol 0.7953 0.7215 1.1101 0.9180 1.0588 0.7029 0.9216 0.9222 0.9701 0.7921 0.9852 0.9962 1.0080 2.5899 0.8627 0.3616 0.6094 1.7847 0.5843 0.4689 1.5027 0.8320 1.3103 1.5122 0.4892 0.4751 0.7475 1.1609 0.8142 0.8646 1.3822 0.4436 1.7902 0.5599 3.4579 0.8643 1.0615
dihydrocholesterol 1.2944 1.1649 3.6366 0.9492 0.6373 0.7298 0.5842 1.8677 0.6428 1.1480 1.4161 0.7184 0.5913 0.5706 0.6293 0.9640 1.0235 0.5717 1.1322 1.6081 1.1286 0.7209 0.6753 0.4202 0.5605 0.6783 1.2882 2.6916 0.5740 1.1326 0.5018 1.0029 1.1561 0.9391 0.8720 0.5890 0.2220
docosahexaenoic acid 1.6731 0.3994 1.9789 1.3689 0.2114 1.3831 1.2000 0.3079 1.2474 1.5778 0.1598 0.8875 0.7856 0.8605 0.3612 1.0194 0.7381 0.2750 0.4465 1.7808 0.8347 0.1939 1.4338 0.6383 1.0876 1.2815 1.8765 0.3204 0.9994 0.4960 0.0757 0.4177 0.1623 0.4003 3.8879 0.5975 0.0599
erythritol 1.4460 0.5538 1.1549 1.9575 1.2278 1.3936 1.5520 1.0059 0.6267 0.7260 1.0814 0.8386 0.6551 0.4002 0.1933 0.2335 0.0698 0.5622 0.3245 0.6576 1.0745 1.3312 1.6143 1.2241 0.6858 1.0995 2.3583 1.4877 0.3071 0.7418 0.8662 0.5804 0.5040 0.8827 1.6859 0.2979 0.5822
erythrose 0.9647 0.6541 0.5716 0.1773 1.0514 1.1661 0.8421 2.2587 2.2863 1.7208 1.9959 1.7025 1.6444 0.1681 0.2812 0.2170 0.1100 0.2736 0.2033 1.1829 0.5624 0.7641 1.4610 1.7931 0.1559 1.8522 1.7667 2.4177 1.6750 1.2817 0.8314 0.2567 0.3973 0.1345 0.3821 0.4142 0.3393
ethanolamine 0.9826 0.9812 1.3078 1.7994 0.8950 1.3205 0.9080 0.3172 0.3104 0.3221 0.2846 0.4403 0.4371 0.9805 1.0608 1.4977 0.4876 1.3288 1.6765 1.1794 0.7275 0.9782 0.8340 0.8904 0.4838 0.6228 0.3699 0.3632 0.6200 0.8761 0.8319 2.5153 1.4346 1.5212 2.2866 1.7047 1.2472
ferulic acid 0.7042 1.1745 0.3304 0.9534 1.1044 0.8404 0.7321 0.4207 0.4127 0.1392 0.2456 0.2008 0.4252 5.2455 3.0823 2.2238 2.4167 1.8607 0.7766 0.7352 1.8648 1.1963 1.0047 1.5415 2.1359 0.0536 0.6038 0.2046 0.0892 0.3425 0.1178 1.8100 1.4815 0.2401 0.2432 2.0708 1.2585
fructose 0.6811 0.3752 0.5564 0.4292 4.2958 0.6433 0.8947 0.5994 0.0771 0.4282 0.2989 0.7134 0.3539 2.6331 1.4944 2.0931 0.8432 1.5733 1.2774 0.9642 0.6730 2.3976 2.2619 1.7313 0.9442 0.2706 0.9861 0.8749 0.4056 0.4233 1.7314 1.6398 0.9514 0.2019 0.0794 1.4363 1.7539
fucose 0.6139 0.7403 0.1615 0.7537 1.7974 0.6742 1.1730 2.7392 1.1779 2.1950 2.8641 1.7034 0.4169 1.6552 0.0583 0.4354 1.1251 0.8038 0.1080 0.6535 1.1869 2.0797 1.1815 0.9845 1.4018 2.8419 3.3821 1.0391 1.5784 1.2782 0.6643 0.0596 1.1326 0.0570 0.1334 0.0557 1.4938
fumaric acid 1.0894 0.8344 1.1543 0.7568 1.5832 1.2274 0.5848 0.6842 0.7591 2.4841 0.9322 0.6424 0.7938 0.2683 0.2961 0.4580 0.9067 0.3253 0.2315 0.8398 0.9986 1.1458 1.0265 2.0704 0.6958 0.4419 0.6599 0.8425 0.4410 1.7308 2.7775 0.2405 0.6205 0.5899 3.8250 0.2598 0.2203
galactinol 0.6724 0.1126 0.1098 0.0529 0.1137 0.1177 0.0842 1.6174 1.6067 2.6858 3.1325 2.4673 6.5669 0.0259 0.0204 0.0154 0.0114 0.0279 0.0076 0.0605 0.1009 0.0984 0.2990 0.0993 0.0389 3.0852 3.1921 1.8648 2.3991 1.6047 2.7737 0.0555 0.0144 0.0788 3.3034 0.0172 0.0442
galactonic acid 0.5012 0.3205 0.8271 0.3517 0.2656 0.3459 0.4993 0.4659 1.2276 0.3321 1.1868 3.5095 2.7724 0.7376 0.7245 0.1887 0.2767 1.1660 0.8108 0.5479 0.3844 0.2199 0.2485 0.2878 0.4297 1.4525 9.3338 0.4785 0.5398 2.2560 0.5041 1.3634 0.9448 0.4141 0.1766 0.4302 1.8449
galactose 1.5145 0.3429 0.2652 0.7773 0.5219 0.4929 0.9156 2.5125 0.3517 2.1045 1.0864 2.0513 0.5933 0.8369 0.6932 0.3802 0.3180 0.3606 0.2750 0.6352 0.6162 1.0480 0.3569 0.4886 1.4003 0.6935 0.5281 0.5966 6.0198 0.4806 0.7556 0.5003 0.7044 0.0261 0.5407 2.1335 0.1763
galacturonic acid 0.3763 0.7241 0.6431 0.6772 0.4578 1.3081 0.8892 0.5420 0.5574 0.8278 0.0470 0.6896 0.3279 1.4481 2.2152 0.2315 4.5175 3.3982 0.5819 1.0234 2.2730 0.6191 0.7932 0.5989 2.0599 0.8684 0.7213 0.7414 1.3102 0.3862 0.8190 0.6030 2.7444 0.3881 0.0746 2.1110 4.3665
glucoheptulose 1.2762 0.2030 0.3120 0.9783 0.2809 1.1268 0.8962 0.5646 0.5068 0.7703 0.6980 0.8205 0.5551 0.2368 0.2726 0.1484 0.5529 0.2356 0.1447 0.7001 0.5870 0.6037 2.2648 0.5514 0.5250 7.0722 0.5356 2.2242 0.4183 3.0893 1.0688 0.0837 0.5153 0.1063 1.1446 0.8389 0.4298
gluconic acid 0.3891 0.1267 0.0412 0.0301 0.0691 0.0397 0.0451 2.2132 1.2977 1.1590 1.1758 3.6784 2.7447 2.0488 0.2358 0.2151 0.2409 2.0443 0.6061 0.0670 0.1013 0.0352 0.0550 0.0863 0.0232 1.3596 9.7470 0.6961 0.5200 2.7459 0.2594 1.2981 0.9224 0.1417 0.1679 0.4056 1.8487
glucose 0.6600 0.2094 0.4446 0.9853 1.7881 0.8345 1.8407 1.2030 1.2268 1.8303 0.4541 2.1484 1.9539 0.4915 0.7061 0.4085 0.2721 0.7550 0.1317 0.6605 0.7455 2.0743 2.5336 2.0284 0.4590 1.0427 0.4847 1.0215 2.1421 1.2416 0.8661 0.2290 0.4358 0.0965 0.0461 0.9510 0.8422
glucose-1-phosphate 0.7494 0.8151 0.2059 0.4796 0.4634 0.5511 0.4162 0.7148 0.8821 1.0506 1.1116 1.0260 1.0921 2.4575 1.0209 0.4723 0.5328 1.2646 0.3892 0.5247 0.9828 0.7430 0.5938 1.0870 0.4442 1.0314 0.8324 1.1073 1.2183 0.9154 0.8286 0.7191 1.5796 0.3767 11.8026 0.4382 0.4037
glutamic acid 1.4314 0.7695 0.6447 0.8362 1.1621 0.6409 0.8836 0.0677 0.0207 0.0281 0.0322 0.1120 0.0282 0.3848 1.1555 0.1470 3.2271 2.1808 1.3555 0.7369 1.0089 0.4929 0.4327 0.7518 1.1742 0.0702 0.0177 0.0739 0.0264 0.1574 1.8356 0.3908 2.2327 4.4485 1.3961 1.5831 3.1449
glutamine 3.0747 0.4897 1.4014 0.9863 0.6372 0.4335 0.5267 0.2833 0.4501 0.1893 0.2315 0.2160 0.6865 0.1518 0.9026 0.1173 3.1089 0.1147 0.4605 0.0518 0.3750 0.5188 0.6495 0.5959 0.9345 0.3402 0.2668 0.3670 0.1469 0.2200 0.2648 0.1472 0.5663 0.6418 1.6286 0.4583 0.0894
glutaric acid 1.1851 2.2264 1.9079 0.9648 0.4205 1.2260 1.0730 0.1175 0.1979 0.1917 0.1361 0.2041 0.1330 0.8503 1.4069 1.3080 1.0328 0.8751 3.3426 2.0532 0.3896 1.0854 0.9895 0.6628 0.4422 0.4360 0.1824 0.2134 0.0773 0.1938 0.9957 1.1534 3.3983 1.5554 0.4082 1.9403 0.6648
glyceric acid 0.9243 0.2296 0.2207 0.9563 0.5696 0.6455 0.4788 0.4213 0.3021 0.4544 0.3854 0.4603 0.5858 1.4499 3.5808 0.8023 2.1780 2.6744 1.0970 0.5465 0.5380 1.0608 0.8430 0.7925 0.9820 0.5756 0.3175 0.2089 0.3581 0.5705 0.7813 1.0035 3.0970 0.9443 0.2227 3.2935 2.2439
glycerol 0.9515 0.4906 0.3303 0.2747 0.6629 0.7297 0.4784 0.4510 0.6475 0.4725 0.3818 0.4880 0.7107 2.0744 2.7955 3.5753 0.3021 1.4607 2.3272 0.5276 0.8241 0.9749 0.8232 0.8046 0.4710 0.6268 0.3185 0.6130 0.4961 0.5163 0.7499 3.7923 1.4618 0.8085 1.0076 2.0344 1.1589
glycerol-3-galactoside 0.5411 0.0896 0.2250 0.1498 2.2084 0.5089 1.2056 1.1213 2.3981 1.0302 0.2412 1.5392 2.6528 0.6012 0.9659 1.6942 0.0229 0.7461 0.2314 0.2459 0.6100 1.6322 1.4273 1.8865 0.0748 0.8746 0.4059 1.1960 3.1782 1.5222 1.8550 0.9633 0.6506 0.2114 0.2183 1.5884 0.5855
glycerol-alpha-phosphate 1.0840 0.5313 1.0931 1.8214 2.2138 0.7017 1.5844 1.1434 1.3630 0.5802 1.0180 0.5016 0.3971 0.3592 0.2076 0.2628 0.3464 0.2171 0.3804 0.5136 2.2634 0.8083 2.0877 2.7331 0.6326 0.9203 0.3932 0.8048 1.5862 0.6976 0.8558 0.1431 0.2416 0.5058 4.8315 0.2727 0.1459
glycine 1.1659 0.5093 0.7160 0.4303 0.7666 0.4764 0.8729 1.1121 0.5862 0.7970 0.9092 0.6645 0.5623 0.6249 0.8390 0.6444 2.3457 1.5272 1.6898 0.8552 0.5701 0.4268 0.3947 0.6686 0.6521 1.3263 1.0803 0.8869 0.4924 0.7865 0.9790 0.9437 0.9552 3.1109 0.7716 1.7483 2.0013
glycolic acid 1.1905 0.6899 0.7825 0.6830 1.0775 0.5808 0.9577 0.7781 1.1140 0.6710 1.1891 1.0326 0.6145 0.9885 1.4553 0.5437 1.3493 1.0175 0.7600 2.1056 1.1035 0.9869 1.1201 0.9193 0.6976 1.4982 0.7227 1.3792 0.5555 0.6828 1.4117 0.6177 2.2225 0.2630 0.3569 1.2873 1.2349
glycyl-proline 0.8475 2.1338 2.9945 1.1816 1.2000 0.5947 0.8362 0.9666 0.0780 0.8140 1.2606 0.9003 0.2938 1.1336 1.7755 0.9224 0.4493 1.3071 1.3690 0.4049 0.3086 0.9841 1.1479 0.9866 0.6108 0.4062 0.4392 0.4002 0.8458 0.6315 0.7672 1.5746 1.9168 0.8522 0.3852 3.2135 0.8405
guanine 0.8322 1.1273 1.8486 2.5803 2.0237 1.3495 1.9538 1.5289 1.0919 0.6727 0.8579 0.5186 1.2557 0.0652 0.1860 0.1942 1.2936 0.3289 0.2327 3.6030 1.0625 0.9721 0.9622 1.2761 2.6051 2.5811 1.0294 1.3788 1.0144 0.9766 1.1050 0.1482 0.1957 0.2197 0.1461 0.1108 0.0945
guanosine 1.2253 0.1465 0.4507 0.3233 1.4540 0.6625 1.0415 1.9605 2.1213 1.1944 0.7565 0.9755 2.0019 0.0526 0.0733 0.1656 0.3711 0.0414 0.1155 0.4969 0.5685 1.4986 2.0226 2.9080 0.5717 1.9334 0.4125 0.8393 1.3394 1.1636 3.1501 0.0589 0.0605 0.1099 0.2134 0.1242 0.0366
heptadecanoic acid 1.2575 1.5937 1.4636 0.8448 0.7746 1.0423 0.9399 0.7919 1.1953 0.4993 0.6133 0.7029 0.8263 0.9563 0.6017 0.9070 0.9015 0.5496 1.1555 1.3119 0.9257 0.6305 1.0841 1.2128 1.1245 0.9968 0.9042 0.8400 0.8033 0.7263 0.3093 2.5923 1.3492 0.6788 1.5576 0.4170 0.8314
hexadecylglycerol NIST 0.9293 1.2200 0.9999 0.3843 0.6393 0.5689 0.5660 1.6676 0.7146 1.3349 1.3209 1.1420 0.9885 0.5943 0.6739 0.5000 0.7643 0.6787 1.2346 1.1393 0.8140 0.6114 1.0205 1.1243 0.4887 1.1789 2.4847 1.3803 1.0500 1.3986 1.1265 1.5317 1.7852 0.8435 0.6187 1.1280 0.7088
hexitol 0.6611 0.2183 0.1113 0.3012 0.5220 1.3222 2.0687 1.1704 0.8884 2.0984 1.0940 1.6280 2.0080 0.7094 0.1392 0.7514 0.0926 0.0771 0.0878 0.1777 0.4467 3.0962 4.7599 0.9600 0.0525 1.7568 1.2752 1.3107 0.7099 1.0629 1.7823 0.4133 0.1343 0.4729 0.4318 2.0820 1.1948
histidine 1.4668 0.1899 0.2980 0.3534 0.6512 0.1415 0.3443 0.6759 0.1839 0.8473 1.8758 1.6100 0.7196 0.6153 1.1946 0.0635 1.5475 1.1571 1.1185 0.2077 0.2482 0.5320 0.3467 0.6339 0.5098 2.0996 0.7270 0.6089 0.2714 1.7909 1.1988 0.7668 1.5195 2.4395 0.1012 1.5979 1.1394
homoserine 0.8398 0.9014 0.7328 0.8826 1.0309 1.0174 1.0449 1.3678 0.5903 0.5922 0.6822 0.5968 2.1186 0.6785 0.8294 0.9054 2.6396 1.3720 1.1412 1.4548 1.8972 0.9405 0.8855 1.0298 1.0021 0.8250 0.6058 0.6169 0.2915 0.8228 0.8903 0.9833 0.5966 2.2430 0.7549 0.9267 0.9486
homovanillic acid 1.9715 0.3099 0.3725 0.3338 0.1699 2.2321 0.3293 0.1073 0.0745 0.1579 0.1699 0.0969 0.0939 0.2623 4.9262 0.6527 0.2056 3.5643 0.3293 0.2831 0.1997 0.3457 0.2623 1.7702 0.3546 0.1907 0.3517 0.1818 0.0656 0.1281 0.0775 0.3010 0.1699 3.3586 0.3248 1.4826 0.1520
hydrocinnamic acid 1.3539 1.8166 0.1567 1.9426 1.9849 1.5849 0.8822 0.3417 1.5335 0.2932 0.2058 0.5407 0.6260 0.3035 0.0498 0.0323 0.5838 0.3316 0.6783 2.9678 0.9413 0.0974 1.1593 0.9174 1.7992 0.4635 0.3041 0.6066 0.5280 0.4877 0.6322 0.6981 0.4302 0.0596 0.6880 4.4762 0.0325
hydroxylamine 0.8859 2.0023 2.3707 1.0820 0.9067 1.4858 0.8074 0.1942 0.9383 0.7070 1.0092 0.8413 0.7084 0.7627 0.7260 4.2394 0.8921 0.6212 1.0879 1.1060 1.1126 1.0026 0.9655 0.9642 0.5965 0.4759 1.9542 1.1760 1.2404 0.6505 0.6157 1.5629 0.8155 0.1778 2.5265 0.3751 0.3981
hypoxanthine 0.8679 0.6932 0.5474 1.9293 0.6029 0.9349 1.2348 0.7691 0.5343 0.6303 0.5948 0.5377 0.6790 0.6352 1.3414 1.1932 5.3155 1.9839 1.3457 2.1224 0.7691 0.4167 0.6288 0.7093 1.3590 1.0511 0.4648 0.5853 0.7173 0.6364 0.6673 0.9556 0.5777 1.3896 0.1432 0.8152 2.7191
indole-3-acetate 0.7918 0.9173 1.2941 0.6570 1.5318 0.4964 2.9291 0.0465 0.0437 0.0311 0.0664 0.0754 0.0584 0.3999 1.2240 0.8730 0.5347 0.8612 0.9793 1.3227 0.2394 0.5449 0.4690 2.5383 0.7249 0.0783 0.0424 0.6365 0.0418 0.0471 0.2146 1.5513 1.8084 2.3445 9.6923 1.0639 1.2766
indole-3-lactate 1.6618 3.1042 3.4211 2.1116 1.2140 1.5826 1.9581 0.1622 0.2989 0.1630 0.0777 0.1775 0.2276 0.5343 0.4862 0.3702 0.0346 0.1917 1.0562 3.4405 1.8230 1.5195 0.2025 1.2430 2.1588 0.3514 0.1642 0.2191 0.6044 0.1992 0.1192 1.4630 0.2487 0.0407 0.0637 0.2936 0.0225
inosine 1.3417 0.1761 0.2302 0.1151 0.9921 0.3242 0.5985 2.9745 1.3069 1.3594 0.8397 1.2350 1.7302 0.0406 0.1304 0.2573 0.3149 0.3394 0.0863 0.2743 0.1422 0.3809 0.9142 2.2759 0.4605 1.1258 0.5299 1.3459 2.2736 1.4429 6.0285 0.1117 0.0372 0.1676 0.2235 0.1431 0.4182
inositol-4-monophosphate 0.7517 1.6144 3.4058 1.9203 0.4388 1.2138 0.8998 0.2254 0.3865 0.2496 0.1570 0.3080 0.2516 0.4992 1.2762 0.8374 4.9034 1.0829 2.0793 0.6401 0.6482 0.9380 1.0548 1.8640 1.5821 0.2174 0.4549 0.5073 0.2657 0.2751 0.1973 0.6723 2.6772 3.0395 0.5958 0.6643 0.9098
isoleucine 1.0299 0.7186 0.7042 0.8768 0.4483 0.6815 0.5505 0.8216 0.8776 0.7896 1.3604 0.5572 0.4333 0.7632 1.1960 1.3330 2.6591 1.6651 1.9381 0.5409 0.5667 0.4857 0.2537 0.4261 1.1414 1.0374 1.7104 0.5714 0.2533 0.7791 1.0679 1.3968 1.2494 3.2247 0.5867 1.6350 1.4992
isomaltose 0.5311 0.0072 0.0078 0.0449 2.7943 0.1146 1.1136 3.2621 2.6805 2.9017 0.1819 3.6887 4.5834 0.0372 0.0642 0.0711 0.0073 0.0879 0.0077 0.0418 0.1039 0.7317 1.0736 1.3630 0.0096 0.9820 0.2971 1.3999 4.1689 2.0405 1.1139 0.0214 0.0650 0.0140 0.0266 0.2695 0.1062
isopentadecanoic acid 0.7513 0.7813 0.8326 0.2907 0.2923 0.4487 0.2064 0.1217 1.1733 0.5933 0.0295 0.4658 7.0240 0.2003 1.0892 0.1288 0.2918 0.3957 1.2396 0.3600 0.1159 0.3399 0.1481 0.5841 0.7080 0.3132 0.0287 0.0365 0.2887 0.1073 0.0915 2.5511 1.5018 1.1607 12.4787 0.8840 0.3854
isothreonic acid 1.0940 0.4654 0.5531 1.0985 0.7514 0.8244 0.8484 1.2961 0.8829 0.8251 0.8592 1.1062 0.9625 0.8689 1.1076 0.3618 1.0137 1.8725 0.3054 0.4237 1.2669 0.7632 0.5482 1.2015 0.4376 1.2238 1.5939 0.7027 0.3854 0.9241 0.9601 0.4501 1.8228 0.7542 0.5239 1.7981 2.2138
ketohexose 0.5821 0.1985 0.5641 0.3453 0.3241 0.3970 0.5170 1.0638 1.3166 0.9738 0.7236 0.8428 1.0765 1.5227 3.1285 1.1435 1.2317 2.9631 1.8837 0.7550 0.3249 0.4818 0.3894 0.4159 0.3419 0.8347 1.3547 0.5726 0.5438 0.5873 0.4725 2.3778 2.2073 0.6693 1.8196 2.1174 3.3109
lactamide 1.9818 0.5901 0.2270 0.1699 0.6545 1.0572 0.3090 0.8537 4.3268 0.6047 0.6428 1.0403 2.9578 0.2636 0.0542 0.4832 0.0791 0.2021 0.1757 0.3002 4.0413 0.3075 0.3163 0.6301 0.1640 2.6356 0.4071 0.6501 0.9503 0.8058 0.6047 0.2504 0.1567 0.0293 0.1479 0.0783 0.3412
lactic acid 2.1149 0.7485 0.0862 0.0673 0.8800 1.6534 0.2631 1.1116 3.0322 0.8070 0.7489 1.6797 1.8027 0.4142 0.0464 0.0504 0.0330 0.2106 0.1671 0.2124 3.9006 0.2950 0.3726 0.5851 0.0290 0.5645 0.5077 0.3606 1.7074 1.1636 1.0544 0.1859 0.0926 0.0179 0.0889 0.1055 0.3107
lactose 0.4000 0.0745 0.3692 2.4096 0.0355 0.7655 1.8356 2.0215 0.8214 1.7288 0.2599 2.5059 1.6376 0.1030 0.1048 0.0667 0.0708 0.2193 0.0147 0.1591 2.7130 0.3996 3.3971 2.2955 0.8794 0.4259 0.4377 0.3296 2.7134 1.3626 0.7582 0.2731 0.0791 0.0351 6.5729 0.2741 0.8814
lanosterol 0.9563 0.1169 4.2943 1.3202 0.0250 0.6341 1.5035 0.0190 0.5037 1.4411 0.8245 0.6971 2.3625 0.0470 2.2156 1.3731 0.3648 0.2748 2.4050 1.9428 0.9894 0.0660 0.6006 0.7895 1.7509 0.7065 1.7729 0.2119 0.6956 0.5260 1.6829 0.3278 2.2536 0.0170 0.0760 0.8180 0.5057
leucine 0.9923 0.6972 0.6163 0.8926 0.4343 0.7866 0.4816 1.0335 0.8423 1.6787 2.0925 0.7503 0.7131 0.7500 0.8541 1.1825 1.5531 1.5180 1.6799 0.3504 0.6759 0.4742 0.3320 0.3858 1.0594 1.3407 1.8487 0.4806 0.5896 1.4433 1.4822 1.2199 0.8241 2.2593 0.5865 1.1761 1.2351
levoglucosan 1.0340 0.1570 0.1151 0.3154 0.8537 0.2739 0.4089 2.9667 0.8816 0.7877 1.0371 2.2582 0.8563 9.6364 1.0481 0.2068 0.4782 0.8383 0.2552 0.3645 1.0371 1.2967 0.8500 0.9620 0.3630 1.1845 1.2072 1.2835 0.7239 0.8542 0.9644 0.5251 0.7100 0.0682 0.3674 0.6289 0.7430
lignoceric acid 0.5709 1.9438 1.3882 1.0343 0.6925 1.1351 1.0128 1.2622 1.6176 1.2783 0.7016 1.2146 1.2469 1.0814 0.3196 1.3966 0.6465 0.7515 1.4112 2.4010 2.0617 0.5124 0.4854 1.2348 0.4277 0.7513 1.5961 0.8473 1.0752 0.7799 0.4697 1.4175 1.5844 0.0687 2.1936 1.0354 0.8064
linoleic acid 1.3853 2.1134 0.5859 0.8635 0.9498 0.9322 0.6267 1.3403 1.2985 0.6884 0.8325 0.8789 1.1021 0.6247 0.3381 1.7398 1.4311 0.3553 1.3391 0.6441 0.3867 0.9122 1.7569 0.9859 0.8299 1.4390 1.3341 1.1294 1.4394 1.0119 0.6040 0.9541 0.4670 0.3940 0.2925 0.3367 0.2366
linolenic acid 0.6892 3.5889 0.9331 1.4871 1.6536 0.6096 1.0431 0.2550 2.2637 1.2353 1.4243 1.5546 0.9441 1.0841 0.4939 2.9360 0.7531 0.4704 1.0664 1.0331 0.3771 0.0784 1.4329 0.8161 1.3903 0.2938 0.5742 2.2341 2.3833 1.0579 1.1869 0.9888 0.7445 0.7094 0.3363 0.5706 0.4082
lysine 1.4732 0.3617 0.6270 0.7188 0.9137 0.2883 0.6725 0.3892 0.2537 0.2486 0.1625 0.5007 0.4711 2.1602 2.0318 0.1516 0.7055 1.6727 1.9892 0.2597 0.5176 1.0757 0.7196 0.5615 0.9187 0.4283 0.0394 0.1229 0.3929 0.4106 0.3622 1.5311 2.1878 3.2209 0.0786 2.6946 1.7208
lyxitol 0.9756 0.2774 0.4475 1.5538 0.4420 0.4616 0.3145 1.4166 0.8750 1.0858 1.6688 0.0795 1.1458 0.9330 1.0251 0.5285 2.6742 1.0862 0.8272 0.9020 0.5476 0.8725 0.6315 0.5344 0.3853 1.0843 2.2831 2.4146 0.6327 0.9513 1.5331 0.5673 0.9362 3.1416 3.4129 0.7854 1.1384
lyxose 0.9321 0.8371 2.5059 1.2984 0.9406 2.4250 0.9525 0.0051 0.0303 0.0214 0.0243 0.0357 0.0326 3.8665 2.3675 1.3830 0.4447 1.2715 0.4679 1.6280 1.0035 8.3272 1.1462 1.1413 1.5114 0.0273 0.0389 0.0325 0.0244 0.0232 0.0251 0.6043 1.1767 0.0468 0.7195 1.4848 0.8770
maleimide 1.4269 0.5652 0.5488 0.9367 1.2236 0.7268 0.6113 2.2644 1.5951 0.9761 1.0453 0.7679 1.6359 0.1514 0.1868 0.1758 0.2266 0.1591 0.3518 0.2375 1.1982 0.7017 1.3232 1.8097 0.5847 0.9597 0.5224 1.4841 0.6823 1.6575 3.2759 0.2346 0.3307 0.2610 0.8302 0.3648 0.1449
malic acid 1.1889 0.7399 1.5189 1.7429 1.3154 1.2640 0.7492 0.1911 0.1213 0.5138 0.2713 0.3772 0.3350 0.7893 0.5118 0.2754 1.2003 1.4984 0.5662 0.6228 0.3309 0.5693 0.6433 2.0129 1.1037 0.2877 0.6187 0.2857 0.1377 0.2864 0.6166 0.6228 1.5662 2.9268 5.4015 0.6988 2.1211
malonic acid 0.8469 1.3466 2.7061 1.8149 0.3513 1.1124 1.1156 0.3513 0.5725 0.5920 0.1561 0.5334 0.3383 0.7156 0.3643 0.7221 2.6346 0.9107 1.1579 2.4069 0.9432 0.6635 0.6505 0.8652 0.9563 0.2082 0.9953 0.8066 0.2082 0.3860 0.4098 0.8001 0.7351 1.6848 9.0747 0.1496 1.4246
maltitol 0.1873 0.2514 0.1492 0.0752 0.5929 0.3764 0.3396 2.5452 0.2599 3.7645 0.3297 3.2897 0.5748 0.1248 0.1419 0.1150 0.0322 0.1728 0.0361 0.2402 0.9404 1.0441 2.0961 0.4687 0.0562 1.7846 1.0262 0.5701 0.5462 0.2641 26.4558 0.0603 0.1714 0.0240 0.1084 0.2445 0.1676
maltose 0.4247 0.0580 0.5749 0.4771 1.9335 0.8103 1.0953 2.1399 0.9219 0.8714 0.4632 1.4497 2.2875 0.0972 0.0412 0.0226 0.1279 0.1049 0.0106 0.2817 0.3189 1.7202 2.2347 3.0266 0.0561 0.3755 0.5682 0.2902 2.2141 1.4152 1.6352 0.0277 0.0504 0.0584 10.5055 0.1536 0.1138
maltotriitol 0.6503 0.0943 0.2050 0.1468 0.2067 0.2860 1.2514 1.7004 2.6711 4.7261 0.2101 5.6441 2.7606 0.0141 0.0316 0.0525 0.0407 0.0150 0.0361 0.1502 0.1960 0.1621 2.1369 1.7563 0.0525 0.5009 0.1434 0.4602 1.0752 3.2332 0.6195 0.0243 0.0136 0.0604 0.0169 0.0520 0.0762
maltotriose 0.8073 0.1887 0.5106 0.3226 0.5393 0.1023 0.5302 3.1022 1.5885 3.3084 0.9723 4.5749 2.8355 0.0548 0.0214 0.1619 0.1129 0.1049 0.0472 0.0827 0.0490 0.0940 0.8144 1.2875 0.0729 1.3141 0.6217 1.7656 3.3388 2.1902 2.7386 0.1579 0.0290 0.0160 0.0646 0.1029 0.0483
mannose 1.0148 0.1332 0.1064 0.1776 0.1688 0.1597 0.1794 5.0195 8.9441 0.0853 2.6529 2.5027 0.0557 0.3735 0.1888 0.2864 0.1394 0.2232 0.1753 0.2589 0.1524 0.2313 0.1148 0.1406 0.3615 0.0982 1.3289 0.0490 0.1049 4.7127 1.8299 0.2218 0.1167 0.0394 0.0180 1.0117 0.4601
melezitose 0.1122 0.0159 0.0152 0.0089 0.0374 0.0186 0.0392 6.6086 0.3805 0.3535 0.5995 0.3409 7.4927 0.0040 0.0157 0.0225 0.0046 0.0073 0.0171 0.0204 0.0270 0.0204 0.1069 0.0811 0.0047 0.5328 1.0116 0.3373 15.1390 2.7182 7.1925 0.0062 0.0250 0.0083 0.0204 0.0072 0.0026
melibiose 0.0547 0.0027 0.0039 0.0034 0.0986 0.1491 9.1448 0.8107 0.3396 0.4715 0.0901 0.5614 0.4326 0.0109 0.0099 0.0089 0.0031 0.0137 0.0033 0.0031 0.0089 0.0235 8.0862 8.1629 0.0016 0.2553 0.1141 0.2290 0.7486 0.1921 0.2877 0.0030 0.0118 0.0008 0.0575 0.0112 0.0167
methanolphosphate 1.5907 0.1410 0.3588 0.1217 1.9973 0.1650 1.0075 1.0507 2.0838 0.1041 0.3956 0.9586 1.8884 0.1169 0.9530 0.1073 0.5382 0.4397 0.4509 3.7240 0.5814 0.0705 0.1698 1.6193 0.1025 1.4223 0.1682 2.7806 0.1057 0.5868 0.1329 0.1490 1.4816 0.4068 2.5083 0.8409 0.6103
methionine 1.0463 1.4860 1.5519 2.4733 1.0464 1.2033 1.2692 1.4821 0.7204 1.2802 1.8898 0.8951 0.9141 0.0140 0.0488 0.0346 0.5734 0.1089 0.2065 0.9835 1.2262 1.1000 1.0226 0.8604 2.5342 1.7562 2.1810 0.7312 0.5979 1.4655 2.2786 0.0394 0.1616 1.7042 0.5821 0.3788 0.0617
methionine sulfoxide 1.0364 0.3399 0.4745 0.5011 0.2870 0.3171 0.3941 0.1370 0.1803 0.1648 0.2148 0.1327 0.1436 1.5635 2.5955 0.8427 1.9033 2.5785 2.3813 0.5828 0.3147 0.3233 0.2532 0.3309 0.6281 0.2894 0.2900 0.1943 0.1737 0.4649 0.6279 1.2300 3.4494 6.1575 0.1967 2.9772 2.4477
monomyristin 2.6056 0.9308 2.3208 0.2706 0.5372 0.7524 1.6463 0.5125 0.3854 0.4428 0.4223 0.3998 0.3567 0.0943 0.2788 1.0497 0.3526 0.1579 0.7852 0.9349 1.0005 0.3485 1.9559 0.8953 0.6848 0.7791 0.2337 0.5043 0.6930 0.4483 0.4018 1.0538 0.1968 0.0984 0.2911 0.1312 0.0738
myo-inositol 0.8521 0.9485 0.2923 0.2072 0.8034 0.5917 0.5672 1.7245 1.0889 1.7679 0.9604 1.4889 2.2091 2.1753 1.9658 0.7792 0.3011 0.9322 0.8157 0.4267 1.0182 0.5307 0.6463 0.6313 0.1750 1.4197 1.0012 1.3383 1.8475 1.0646 1.5351 0.8899 1.1720 0.2308 1.9632 1.0827 0.9551
myristic acid 1.6356 1.7080 1.4392 1.0153 0.8623 1.0651 0.9531 0.6620 0.4916 0.4010 0.3421 0.5502 0.5555 0.7434 0.7325 0.8644 0.6073 0.4377 1.2857 1.3486 0.8796 0.7635 0.9004 1.2158 0.9914 0.7293 0.7667 0.8355 0.5177 0.5649 0.3872 2.6810 1.1367 0.5544 0.4017 0.8912 0.4274
N-acetylaspartic acid 0.4646 0.1546 0.6262 2.3504 1.5351 1.5096 2.0093 0.2402 0.0849 0.3428 0.2820 0.4354 0.2615 2.6737 1.8666 1.2829 0.5743 1.2709 0.2750 2.6897 2.4991 2.6347 3.6400 2.0406 2.4169 0.2881 0.2280 0.6817 0.3367 0.2537 1.2714 0.6464 1.1765 0.1214 0.6043 1.0462 1.1421
N-acetyl-D-galactosamine 0.7415 0.8027 0.5740 1.3974 1.1892 0.9693 1.3434 0.4500 0.2259 0.6699 0.6764 0.5163 0.3199 1.4678 1.1474 0.9468 0.9980 1.3824 1.1219 1.4563 1.0571 2.0953 0.9068 1.1370 3.9236 0.3701 0.5489 1.3016 0.5517 0.6656 1.2519 1.4213 1.7588 0.5567 0.3271 1.6753 1.7062
n-acetyl-d-hexosamine 0.5565 0.3440 1.0598 0.4868 0.8103 0.9090 1.1057 2.2352 2.5862 0.8697 0.6345 0.8049 1.2580 1.5091 1.4228 1.5452 0.2767 1.9467 0.6104 1.6867 0.5774 0.8248 1.1743 1.1879 0.4982 1.2062 1.3006 0.5147 2.0519 0.8687 0.9657 1.7389 1.2035 0.1320 0.2224 1.4258 1.7101
N-acetyl-D-mannosamine 0.7061 0.5494 0.2183 1.3531 0.8248 1.0500 0.8710 0.4930 0.8700 1.4568 0.7805 1.1239 1.1186 0.9532 0.8617 0.6669 0.8608 2.0949 0.9055 1.7636 1.1907 1.4740 0.3417 0.6395 2.5469 1.6404 1.0116 0.5596 0.8440 0.9290 0.8573 1.8113 1.8119 0.2269 0.4668 1.0075 2.7488
N-acetylglutamate 1.0787 1.1656 0.6754 1.1193 0.5147 0.7203 0.7884 0.4657 0.3921 0.9804 0.4984 0.7571 0.4085 0.1089 0.2097 0.6481 0.3213 1.4134 1.1846 1.6830 0.7080 0.4139 0.6073 1.1628 0.5065 1.1601 0.6808 1.9471 0.6236 1.0067 2.1514 0.2723 2.7505 2.1133 2.3665 0.9150 2.1677
N-acetylornithine 0.8987 0.8479 0.8714 0.9653 0.3863 0.9575 0.8588 0.4124 0.1750 0.2567 0.3337 0.4149 0.7406 3.1116 1.6456 3.1465 0.4262 1.9084 2.4361 3.2997 0.4393 1.3145 0.6312 0.7766 0.8474 0.5567 0.2600 0.5087 0.1704 0.5014 0.2407 1.9961 1.5695 0.4881 0.0324 1.4738 1.7677
N-acetylputrescine 0.3221 0.2548 1.0078 0.9701 0.4011 0.4551 1.1920 0.0658 1.4805 2.2131 1.3335 1.1674 0.6425 0.6165 0.4297 0.3542 0.4732 0.9398 2.3985 2.8214 0.5060 0.6020 0.1827 0.5665 1.0410 1.6118 2.2253 4.6864 0.8676 2.8245 0.7833 0.7254 0.4751 0.3143 0.0677 1.9075 0.3672
nicotinic acid 0.9380 1.4466 1.9323 2.1259 0.7036 1.6371 1.5638 0.8539 0.3938 0.3440 0.2992 0.5594 0.2898 0.8523 1.0520 0.9754 0.3711 0.7171 0.7254 2.6339 1.4159 1.1447 1.6234 1.1339 1.7019 0.4861 0.4346 0.5477 0.4054 0.5016 0.3397 0.9035 0.7790 0.7909 4.9220 0.8570 0.5971
N-methylalanine 1.1201 0.8501 0.5706 0.3363 0.4176 0.9179 0.5152 0.7638 3.4979 0.6468 1.7276 1.0406 0.9744 0.4292 0.2244 0.5379 0.6587 1.3107 1.7430 0.2385 0.6105 0.3478 0.5458 0.5100 0.2139 2.2988 1.3753 3.4927 0.4899 0.8456 2.6889 0.9558 0.6195 0.5952 0.0721 0.9497 1.5042
nonadecanoic acid 0.8473 1.0553 1.1696 0.7650 0.9668 0.9324 1.0291 2.2511 0.9950 1.7162 1.3587 1.3929 1.0058 0.6199 0.4662 0.6558 0.4357 0.6417 0.6119 1.1312 0.9133 0.9696 0.4787 1.2732 0.6410 1.5416 1.1243 2.0142 1.2721 1.0715 1.1151 0.9876 0.5807 0.2771 0.9691 1.6972 0.5527
norleucine 0.7408 0.8057 4.7442 1.5818 1.2069 0.9284 3.1713 0.0148 0.1175 0.0274 0.1073 0.0593 0.0756 0.7880 0.3578 0.4599 0.4479 0.5304 1.4819 1.5658 0.0884 1.7758 1.2280 2.4256 0.2973 0.0633 0.1330 0.0576 0.0919 2.8851 0.0405 0.7692 0.3612 2.4937 0.0348 0.6528 0.4594
norvaline 0.9577 0.7855 3.9675 0.2730 0.4221 1.1514 3.7898 0.6829 0.2253 0.4372 1.6540 0.5036 0.7293 0.6080 0.2346 0.5611 0.2487 0.3590 2.6972 2.1421 0.1571 0.7338 1.0947 0.8624 0.1076 0.5418 1.7486 2.4867 0.3698 0.5671 1.2814 0.6293 0.3171 0.6484 0.0610 1.0131 0.2710
O-acetylserine 0.6405 1.2653 0.7417 1.5457 0.5224 1.2432 0.6051 2.2827 2.2671 3.0232 2.3426 1.7470 2.3611 0.2253 0.0599 0.5476 0.1917 0.1162 0.1600 1.1455 1.1707 2.1580 1.7926 0.7166 1.2761 2.4432 1.2522 0.5176 2.2779 2.0230 0.1642 0.2253 0.1594 0.1450 0.0911 0.1875 0.0611
octadecanol 1.6677 1.0767 2.6729 0.7895 0.8158 0.9274 0.8576 0.2552 0.5115 0.4508 0.5424 0.4605 0.6110 0.6739 1.5390 1.3936 0.5950 0.7249 0.5933 0.9257 1.0321 0.5046 0.6579 1.2319 0.6922 0.4211 0.6327 0.9806 0.4382 0.5042 0.3295 2.9349 1.8170 0.7552 0.6694 0.6940 0.6019
octadecylglycerol 0.9004 0.9414 1.2495 0.4138 0.7746 0.4818 0.8458 2.8615 0.9391 1.1597 0.8228 1.6446 1.7872 0.4705 0.8547 0.3686 0.7177 0.3755 0.8939 1.0883 0.3467 0.3774 0.4710 1.2820 0.5416 1.0823 1.4011 1.2007 0.8588 1.6253 0.8835 2.5936 1.5384 0.7004 0.2062 1.0798 0.2923
oleamide NIST 1.0812 1.0027 0.9760 0.2226 2.0729 1.8136 0.9316 1.7326 0.8227 0.2749 2.1102 1.0594 1.2603 0.2470 0.5554 0.9808 0.4499 0.7295 0.5119 1.0750 1.1575 0.5966 1.0949 1.4444 0.9703 3.6928 0.2463 0.5026 0.8400 0.8996 0.0397 0.4694 0.9839 0.1410 0.6750 1.0576 0.4149
oleic acid 1.5321 1.6075 1.4419 0.5249 0.7547 1.0664 1.1451 0.7772 1.0691 0.3084 0.4155 0.4815 0.8190 0.6274 0.6635 1.1465 0.8220 0.7340 1.4133 1.4407 0.6128 0.6039 1.9082 1.0828 0.6150 1.1273 0.6000 0.7935 0.9799 0.5937 0.3463 1.7053 0.9503 0.5269 0.1367 0.7838 0.7261
ornithine 1.0813 0.3079 0.6923 0.8920 0.2697 0.2191 0.7021 0.7679 1.1589 1.6553 1.5905 0.9182 0.5587 2.2096 1.3469 0.1849 0.5840 0.9793 1.1904 0.8994 0.3679 0.4762 0.0685 0.3269 0.9176 2.1841 1.7565 1.7777 0.7468 1.9887 0.7002 0.9534 0.9502 1.2435 0.0878 2.0256 1.1830
orotic acid 1.0385 1.0863 2.6717 1.3140 0.2578 0.5402 1.6668 0.3304 0.1657 0.1832 0.3450 0.1507 0.1647 0.4981 0.1987 0.8169 4.1834 1.5481 3.3665 1.9507 0.5398 0.1948 0.1706 1.1419 1.0098 0.3905 0.3847 0.3586 0.0397 0.2048 0.5834 1.3063 2.2792 1.5292 1.1929 1.1653 1.3509
oxoproline 1.1547 0.4644 0.5109 1.3393 1.5349 0.7352 0.7653 1.3199 1.0532 0.9689 1.3398 1.5140 2.2751 0.2105 0.3603 0.1215 0.7341 0.4077 0.4045 0.4089 0.8232 0.8662 0.6821 1.5841 0.6039 1.3361 1.0800 1.6161 1.4582 1.1652 1.7448 0.2756 0.3370 0.9626 1.5348 0.4217 0.3164
palatinitol 0.7717 0.1355 0.0719 0.0436 1.3091 0.2245 0.5162 3.7356 2.7309 1.3174 1.9405 3.0052 2.8406 0.0146 0.0663 0.0308 0.0600 0.0465 0.1292 0.0719 0.2577 0.7164 1.2740 0.9647 0.0357 2.4255 1.8724 0.1684 5.2546 2.1382 2.0106 0.0373 0.0336 0.0255 0.7235 0.1234 0.0683
palmitic acid 1.4562 1.4728 1.5179 0.9271 0.9987 1.0205 1.0156 0.7932 1.2662 0.5021 0.5783 0.6789 0.9216 0.7960 0.4503 1.2373 0.6889 0.6735 1.0214 1.2678 0.9884 0.6905 1.2289 1.1534 0.7192 0.9453 0.8299 1.0339 0.9433 0.7512 0.3730 1.2568 0.9989 0.3950 0.4681 0.7083 0.8200
palmitoleic acid 2.4399 1.2036 1.0122 0.2280 0.4537 0.6936 0.4302 0.6384 0.5939 0.0372 0.2488 0.3558 0.6671 0.4518 0.7567 0.9530 0.9311 0.5543 1.4186 0.7835 0.2652 0.3427 1.5244 0.7199 0.4043 0.8463 0.2476 0.3024 0.5902 0.5388 0.4140 1.6475 1.0628 0.1732 0.1018 1.1168 0.6982
pantothenic acid 0.8508 1.1748 3.4698 1.4837 0.6291 1.5082 2.0820 0.3120 0.3344 0.2204 0.3319 0.4433 0.3069 1.2196 2.1571 0.9243 0.4779 0.9035 1.7008 2.5007 1.2022 0.8816 1.2944 0.9126 1.6832 0.4265 0.6240 0.3380 0.1094 0.3661 0.1074 2.3052 1.7072 1.4064 0.0702 1.1720 1.1804
parabanic acid NIST 1.8686 0.8263 0.7734 0.4204 0.6033 0.9113 0.4210 0.3348 0.8578 0.2540 0.8287 0.3831 0.6449 0.2934 0.4921 0.4441 1.5286 1.9104 0.8873 0.6106 1.2212 0.6385 0.3536 1.2410 0.4514 0.4800 1.1713 0.5450 0.6215 0.4083 0.6130 0.4198 0.7448 1.4879 2.2898 0.4669 1.9423
pelargonic acid 1.0693 1.8103 1.5620 1.1043 1.4054 1.3562 1.0180 0.5622 0.9482 0.8727 0.7585 0.7769 1.0216 0.3688 0.5592 2.1841 0.4215 0.3765 0.6061 2.7202 1.0946 1.2459 1.3607 1.1777 1.0320 0.8784 0.9361 1.5171 0.7037 0.7917 0.5811 0.9461 0.7972 0.2615 1.9429 0.4628 0.5189
pentadecanoic acid 0.9804 0.9539 1.1057 0.9096 1.2139 0.8860 0.9674 0.8786 0.5670 0.6642 0.3011 0.8535 0.9686 0.7383 1.1933 0.7054 1.4543 0.7800 1.5179 0.7278 0.5823 1.0305 1.3801 1.5238 1.3443 0.5447 0.4299 0.5421 0.8145 0.5537 0.3807 3.7795 1.9317 1.1546 0.1847 1.3315 0.8605
pentitol 0.6504 0.0688 0.5929 0.1093 0.4238 0.3500 0.4881 0.9683 0.3968 0.6211 0.9582 0.8449 0.7288 2.5464 2.0978 1.1306 0.0541 0.3404 0.2023 0.2153 0.5636 0.6098 0.7372 0.4828 0.6008 0.6718 1.5849 1.0055 0.3709 0.4618 0.7665 0.9796 1.6886 0.3190 18.2286 1.5161 0.7598
phenylacetic acid 1.4693 3.2174 4.1583 1.0450 0.3256 0.5312 1.1702 0.0164 0.0141 0.0149 0.0409 0.1273 0.0773 1.1641 1.5473 1.0777 0.1909 0.8608 1.5090 1.8248 0.0619 0.3873 0.3065 0.7448 1.3911 0.2350 0.3572 4.5752 0.0134 0.0336 0.7183 1.8862 2.7088 0.4108 0.0480 1.1096 0.9949
phenylalanine 0.9441 0.6589 0.6508 0.6239 0.6077 0.6983 0.5981 0.9836 0.9683 1.6928 1.5125 0.8149 0.5837 0.5354 0.7370 0.6192 1.8910 0.9982 1.4664 0.7467 0.4027 0.5076 0.3854 0.4628 0.8004 1.6156 1.9708 1.2422 0.6770 2.0656 1.4867 0.9029 1.3799 2.1150 0.4361 1.2629 1.0346
phenylethylamine 1.5487 4.8104 0.4885 0.1188 0.1107 3.6248 0.0826 0.0675 0.0432 0.0319 0.0780 0.0475 0.0554 0.4671 0.1216 1.1524 0.2416 1.0586 4.1164 0.1087 0.8368 0.3342 0.1535 0.1793 0.0869 0.0606 0.0545 0.0885 0.0727 0.0792 0.0364 4.2140 2.8402 0.1289 0.0998 1.3112 2.7484
phosphate 2.0408 0.9023 1.3088 1.1018 0.6278 0.7780 0.3465 0.4821 1.8469 0.4709 0.5513 0.4623 1.0964 0.5936 0.3239 0.5852 1.5258 0.4427 0.7181 0.9556 0.7866 0.1641 0.5718 0.7373 0.5080 0.6851 1.2735 0.6314 0.8470 0.6105 0.5163 0.9956 0.7739 1.1275 2.3304 0.3653 0.6016
phosphoethanolamine 1.1521 1.4846 2.8364 1.6053 1.0984 1.1647 0.8308 0.3259 0.4224 0.2132 0.4023 0.3581 0.4486 0.2173 0.9213 0.6558 1.9795 1.1406 1.0742 0.9294 1.8145 0.8127 0.2253 1.1989 1.0018 0.3178 1.5731 0.5834 0.6075 0.3996 0.2253 1.1386 1.8065 1.7099 2.2691 1.2955 0.7282
p-hydroxylphenyllactic acid 1.5773 0.5578 0.8336 0.2927 0.9572 1.2673 1.0702 1.6981 1.0636 0.6452 0.6276 0.9115 0.8787 1.1702 0.2879 0.5817 0.1214 0.4023 0.7350 0.8501 3.1258 0.9775 1.4482 1.1696 0.1475 1.5216 1.2896 1.1733 1.4924 0.9301 0.6919 0.3633 0.3420 0.1028 0.1193 0.4121 0.5134
phytosphingosine 1.2053 1.6725 3.2808 0.5203 0.9826 0.5359 0.6502 0.7867 0.4718 0.4941 0.7186 2.8262 0.7183 1.1182 0.7651 0.3293 0.4067 0.6198 0.1718 1.0353 0.7473 1.1273 0.6455 0.6507 1.1342 0.6840 0.7936 0.7976 0.6722 0.5944 0.8447 1.2358 4.0151 0.2744 0.4938 1.6320 0.6506
pinitol 0.8350 0.2228 0.6137 1.9085 1.5233 0.1673 0.6097 3.8285 1.3530 2.4979 2.9211 2.4304 1.9291 0.0381 0.0350 0.4611 0.1267 0.0510 0.0498 0.0816 0.9027 0.6484 0.3944 0.4972 0.0616 1.7974 4.7005 4.8135 1.1319 1.1491 2.6894 0.0378 0.0593 0.0064 0.0784 0.2170 0.0345
pipecolinic acid 0.9948 1.7624 3.3560 1.1832 0.4144 1.1581 0.5185 2.2404 0.3172 1.1269 1.9727 1.0024 1.9384 0.5022 0.4431 1.1191 0.5039 0.8160 0.9217 1.5982 0.3509 1.4289 1.9541 0.7368 1.1922 0.5123 0.4679 0.3936 0.8626 0.6834 0.3273 1.8754 1.1325 1.7118 0.0799 0.5112 0.2356
piperidone 1.3676 2.2177 1.8254 0.5416 0.1395 1.4967 0.6294 0.0528 0.0505 0.0572 0.0473 0.0395 0.0470 1.3353 0.6427 1.8650 0.1577 1.5730 4.3442 0.6503 0.5652 0.5179 0.5040 0.7953 0.9156 0.0850 0.0420 0.1463 0.0242 0.0774 0.0424 1.0817 0.4041 5.5291 0.3823 1.6127 1.0303
proline 0.7172 0.7265 1.4730 1.3298 0.5415 0.5243 0.7006 1.5143 0.2660 1.8586 2.4577 0.8716 0.5492 1.0455 1.1332 0.9570 1.0841 2.3426 2.1493 0.8960 0.3398 0.2613 0.5640 0.3467 1.1395 0.6727 1.1681 0.2112 0.9933 1.0819 0.9742 1.4301 0.7590 2.8524 0.3739 1.3494 1.8285
propane-1,3-diol NIST 0.7195 0.3606 0.1201 0.0976 3.0853 0.4983 0.1783 2.7930 1.2012 1.7545 2.6000 3.9190 1.5952 0.2257 0.0377 0.1601 0.0433 0.0686 0.1428 0.2608 1.1700 0.1433 0.5084 0.6241 0.0551 4.0900 1.9607 3.2453 2.9948 1.9598 2.1532 0.0946 0.0828 0.0200 0.0690 0.0502 0.1016
pseudo uridine 1.7908 1.0028 0.8003 1.3308 0.8116 1.1148 0.9860 0.4061 0.2934 0.1832 0.2186 0.5874 0.3335 0.2197 0.5393 0.5077 1.1502 1.1039 0.4915 1.4682 0.4611 0.8614 1.1321 0.9875 1.2820 0.8612 0.4670 0.2865 0.1348 0.4810 0.8742 0.4389 0.5307 1.5753 4.5520 0.6636 0.9449
putrescine 0.9353 3.3019 7.9340 1.9579 0.8419 2.3509 1.5098 0.2658 0.1816 0.1700 0.1573 0.3832 0.3934 0.0636 0.4507 0.2778 0.1220 0.6585 0.6661 0.2579 1.6760 1.0252 1.0289 0.3634 2.0914 0.2133 0.3226 0.9491 0.7000 0.6653 0.2484 2.7878 0.7381 1.5735 0.0356 1.4243 0.4807
pyruvic acid 1.0681 2.5072 0.5524 1.0723 2.0907 1.0933 0.3555 0.6321 1.6280 1.0011 0.4354 1.6834 1.3183 0.0861 0.1151 0.1079 0.4759 0.0879 0.2933 1.2428 1.2002 1.3566 0.6520 0.9551 0.7258 3.0492 1.4977 0.9604 0.4143 1.5212 6.1451 0.1382 0.2023 0.2840 0.2140 0.1453 0.0815
raffinose 0.8399 0.0149 0.0282 0.0310 0.0091 0.0150 0.0256 0.0039 6.5466 3.5948 3.9989 3.7640 5.9861 0.0039 0.0014 0.0047 0.0016 0.0020 0.0035 0.0250 0.0066 0.0061 0.0896 0.1236 0.0074 4.2544 2.0169 0.0195 0.0037 2.6844 0.0126 0.0372 0.0021 0.0016 0.0118 0.0033 0.0048
ribitol 0.9107 0.7384 0.4881 0.3343 1.6835 0.9793 0.5727 2.4811 1.5553 0.4565 3.0130 1.1811 0.3262 2.0500 1.6223 0.7115 0.6307 1.7194 0.3936 0.5917 1.1097 2.0357 0.5088 0.8370 1.1813 0.6924 0.7900 0.6572 1.5140 0.5953 1.0119 0.5317 1.8200 0.4320 0.1645 1.5061 1.5231
ribonic acid 0.8970 0.2457 0.1780 0.1410 0.5967 0.3490 0.2776 1.6019 0.4444 0.8496 1.1698 1.0940 1.0777 3.8872 1.9551 0.2138 0.6929 2.8702 0.5647 0.2491 1.5812 0.5961 0.7187 0.7849 0.2043 1.2554 1.4625 1.3942 0.8642 0.9606 1.2297 1.1228 0.9532 0.9202 0.3302 1.8882 1.7956
ribose 0.6385 1.1658 1.1567 2.5998 1.6072 1.3135 2.0462 0.5418 0.5066 0.5169 0.3976 0.6724 0.5279 1.1482 1.8428 1.4744 1.0892 0.9493 0.2313 3.8169 1.3500 1.4735 1.7223 1.3339 2.8804 0.6005 0.3724 0.7358 0.5765 0.5163 0.5269 0.4338 1.0234 0.1777 0.8617 1.2569 0.8323
sarcosine 1.5160 1.2542 1.2608 1.0068 1.3648 1.2308 1.5991 0.6359 1.1398 0.8648 0.9006 0.8451 0.1135 0.5187 0.4972 0.8268 0.2635 0.2505 0.4676 1.8782 1.2672 0.6857 2.4184 1.7001 0.3729 0.8011 0.8288 1.3824 0.6177 0.8782 0.6108 0.6212 0.7482 0.0710 0.6429 0.3674 0.3605
serine 1.2386 0.6528 0.4571 0.6773 0.7092 0.5981 0.4732 0.4158 0.4346 0.5001 0.2823 0.4097 0.2975 1.1206 1.3860 0.8231 3.2608 1.8334 1.3808 0.8546 0.7623 0.5663 0.2698 0.4938 1.1962 0.8816 0.4444 0.4415 0.3012 0.6905 1.4150 1.1823 1.9338 1.6858 1.2917 2.3379 2.2156
shikimic acid 1.1565 0.6451 0.7054 0.8232 1.0447 0.9431 0.9514 1.6058 1.2089 1.2304 1.3219 0.8933 0.6411 0.9335 0.5089 1.1156 0.4643 0.5681 0.6458 1.0085 0.9460 0.9179 1.5183 1.4774 0.8478 0.6067 1.1375 1.8170 1.2518 1.3566 1.1469 0.6460 0.6018 0.3067 1.1464 0.7900 0.4040
sinapinic acid 1.2478 2.1646 0.5316 0.6745 1.6664 1.4732 1.4589 0.6374 0.1003 0.3398 0.3843 0.3444 0.5024 1.2891 0.3766 0.4530 0.1455 0.2673 0.3139 0.6620 2.7161 2.0882 2.6885 4.1062 1.4666 0.1661 0.5334 0.5500 0.2737 0.3239 0.3196 0.7546 0.2171 0.0727 0.2054 0.3187 0.1492
sophorose 0.5063 0.0336 0.0841 0.0862 2.6970 0.2089 1.2528 3.6199 1.8839 2.4703 0.0715 3.8717 4.1070 0.0351 0.0452 0.0685 0.0165 0.0816 0.0113 0.1174 0.1561 0.8086 1.1373 1.6453 0.0232 1.0798 0.1446 0.9780 3.4435 2.4478 1.4606 0.0292 0.0427 0.0101 0.0617 0.1961 0.0883
sorbitol 0.9231 0.3780 0.3571 0.4446 0.6770 0.6369 0.9056 3.0633 0.2648 2.0584 2.0695 1.3689 2.2158 0.3490 0.6058 0.1496 0.9877 0.8579 0.2236 0.1287 0.8030 0.5177 1.0978 0.7243 0.4789 1.6644 1.5631 0.7889 2.0311 1.7862 1.8826 0.2449 0.7044 0.4556 1.0197 1.0154 1.0802
squalene 2.0151 0.8149 0.7436 0.3851 0.4293 0.6264 0.4962 1.3265 0.7961 0.5314 0.4563 0.4835 0.8734 0.9906 0.5410 0.2772 0.6084 0.5742 1.1641 1.1287 0.6021 0.2941 0.6440 0.6256 0.2599 0.6228 0.6426 0.6483 0.8004 0.6405 0.6209 1.5027 0.8120 0.9602 3.0222 1.2365 0.6661
stearic acid 1.1803 1.6929 1.5900 0.9526 0.9661 1.1026 1.1602 0.8320 1.5971 0.7263 0.6718 0.8312 1.0389 0.8966 0.4933 1.3073 0.6714 0.6023 0.9344 1.4610 1.1594 0.6642 1.0809 1.1533 0.7218 0.9207 1.0994 1.1396 1.0119 0.9202 0.4517 1.2951 1.0950 0.3876 0.4671 0.6538 0.7965
succinic acid 1.0228 0.4738 3.2388 0.6010 2.5992 3.0887 2.7237 0.4263 0.3215 0.2349 0.3029 0.4204 0.4601 0.4953 0.0523 0.0338 0.0374 0.1582 0.0499 0.1521 0.8833 0.4505 2.1631 5.3373 0.1592 0.5071 0.0570 0.4337 0.5313 0.4064 0.2915 0.0685 0.4091 0.0264 0.0413 0.2512 0.2226
sucrose 0.7392 0.0253 0.1126 0.0743 0.2679 0.0482 0.2265 2.8499 2.2107 1.7645 0.6510 3.7964 4.7018 0.0436 0.1217 0.0831 0.0304 0.0550 0.0131 0.2953 0.0875 0.4612 0.1250 0.2859 0.0083 1.5140 2.1031 2.8655 3.2460 3.0880 2.7132 0.0094 0.0460 0.0371 0.1055 0.0417 0.1297
tagatose 0.5885 0.2001 0.4677 0.3480 0.3266 0.4001 0.5639 1.1030 1.3971 0.7601 0.8088 0.6605 1.1162 1.9195 3.2388 1.1970 1.1047 3.0789 1.6271 0.8319 0.3275 0.4788 0.3924 0.4084 0.3027 0.8191 1.3654 0.5771 0.2710 0.6090 0.5147 2.2700 2.2512 0.4335 1.8340 2.2670 3.5064
taurine 1.6845 0.4754 0.4565 1.7857 1.4307 0.3851 0.7382 0.8733 0.2480 1.0283 2.5955 1.1567 0.2416 0.5256 0.3779 0.6727 0.4319 1.7835 1.0096 0.1449 0.7256 0.1694 1.0405 1.2233 1.3515 0.3762 0.1321 0.1945 0.3322 0.6740 0.2129 0.4832 0.3221 2.9104 0.2151 1.0762 1.4847
threitol 0.9973 0.9884 5.5024 1.3324 1.1713 2.0078 2.7591 0.4449 0.3417 0.3544 0.5485 0.4089 0.3383 0.3245 0.4177 0.4318 0.1358 0.5026 0.1498 1.6890 1.7334 1.2871 2.2846 2.1702 1.5080 0.5648 1.0522 0.5576 0.1996 0.3536 0.3870 0.3082 0.3856 0.1005 1.3116 0.6807 0.4014
threonic acid 1.3831 0.2746 0.3283 0.3749 0.6996 0.5253 0.3844 0.6949 0.5110 0.6877 0.8011 0.8346 1.2071 1.6882 1.4697 0.5671 1.1354 2.0016 0.8172 0.4274 0.8166 0.5779 0.6614 0.9631 0.4131 0.7056 0.8584 0.5659 0.5600 0.6415 1.7634 0.5349 3.5281 1.0733 0.3092 1.0113 2.3807
threonine 1.1339 0.9304 0.6922 0.9305 0.9017 0.8857 0.7156 1.1088 0.4868 1.4155 1.2525 0.8136 0.7098 1.2121 1.0918 0.8340 1.6622 0.7759 0.9552 1.0509 1.1852 0.7184 0.4269 0.6294 1.3964 1.4324 1.3253 0.8641 0.7990 1.2889 1.0690 0.8569 1.3611 0.6580 1.2585 1.3405 0.4584
thymidine 0.5475 0.5292 1.3594 5.2656 0.6007 1.8962 3.4947 0.4493 0.7085 0.4796 0.2900 0.1856 0.2549 0.1126 0.5970 2.7696 0.1580 0.2047 0.2910 9.5254 0.5995 0.7575 2.1968 1.1491 2.5874 0.1968 2.2671 0.6618 0.3809 0.4634 0.8144 0.1883 0.1102 0.2144 0.4045 0.0939 0.0739
thymine 0.9105 1.5398 0.9914 1.7357 0.6390 1.4615 0.6635 1.3065 1.1982 0.7695 0.8505 0.7030 0.7125 0.5753 0.8921 0.9956 1.3949 1.6927 1.1578 1.7606 0.6895 0.5580 0.4947 0.7764 1.2462 1.9536 1.3843 0.5344 0.4985 0.9629 1.3511 1.4622 0.6515 1.0185 0.5916 0.7059 1.4897
tocopherol acetate 1.0873 2.3021 2.4831 0.9452 0.5944 1.1126 1.1022 1.2216 1.1656 0.8922 0.4099 0.6968 0.6724 1.2018 1.3469 0.4376 1.0283 0.3630 2.0521 2.4055 1.5138 0.7455 1.1408 0.9325 0.6927 0.7943 0.9496 0.7859 0.9139 0.4691 0.5438 1.1233 1.1693 1.4776 0.1371 0.6429 0.1283
tocopherol alpha- 0.9121 1.7099 3.0599 1.6214 0.9879 0.9445 1.3242 1.0854 0.9081 1.2403 1.1158 0.9576 1.1631 0.6679 0.4596 0.7415 0.3741 0.2938 1.0117 2.0564 1.3958 0.8458 0.9857 1.4232 1.2299 0.8947 1.5763 1.6556 0.9638 0.9097 1.0078 0.9231 0.3159 0.4089 0.1063 0.5489 0.1431
tocopherol beta- 0.9109 2.2340 1.4015 1.5739 1.0665 0.8707 1.2365 1.3768 0.8990 1.6946 1.0985 1.1823 1.2488 0.7906 0.5813 0.9064 0.8596 0.3362 1.0148 1.4803 1.1847 0.9236 1.0394 1.2989 1.1576 0.6133 2.2931 1.6478 0.9409 0.6831 0.9828 0.9261 0.7709 0.3473 0.2512 0.4409 0.3325
tocopherol delta- 1.0325 2.3099 2.1081 1.6498 1.3000 1.0519 1.2232 1.4085 1.2384 1.4986 1.0110 0.5453 1.4246 0.4833 0.3595 0.6125 0.3587 0.2519 0.7605 1.6603 0.5568 0.9771 1.0207 1.2387 1.1316 0.8622 1.6493 1.6552 1.3407 1.0377 1.2701 0.4020 0.5374 0.4744 0.3730 0.3782 0.2933
tocopherol gamma- 1.2015 2.2546 1.9977 1.6868 0.6472 0.9184 0.9899 1.6486 0.9001 1.5308 1.3583 1.1311 1.3001 0.5550 0.4365 0.3387 0.4283 0.2805 0.8013 1.1415 0.9664 0.8573 0.7749 1.0798 1.1721 0.8645 1.8799 1.8270 0.8858 0.7397 1.2866 0.7149 0.4538 0.6421 0.1495 0.4074 0.2679
trans-4-hydroxyproline 0.8420 0.1448 0.4498 0.6899 0.7996 0.3769 0.5612 1.4272 0.4211 0.9745 1.4271 1.1066 1.1243 0.3546 0.3490 0.2702 1.0514 0.9518 1.9085 0.3143 0.3521 0.3945 0.7604 0.8042 0.7040 1.1951 0.7455 2.6331 0.9649 1.0670 0.5466 0.5268 0.4291 5.4385 3.0194 1.7972 1.0874
tryptophan 1.0774 1.6775 2.7071 1.5853 1.7109 1.2896 1.1691 0.7562 1.1541 1.0329 1.2578 0.8514 0.9452 0.1111 0.0841 0.0296 1.1019 0.2240 0.2768 2.1968 1.4869 1.3824 1.3815 1.2084 1.1607 1.3059 0.1515 0.9967 1.4091 1.4581 1.1368 0.0453 0.2983 1.3862 0.2095 0.2997 0.2810
tyramine 1.4384 4.5651 0.1155 0.3404 0.4915 2.2940 0.3205 0.2123 0.1199 0.1128 0.0717 0.2328 0.2205 0.3257 0.9616 1.1828 0.0986 1.4297 2.3744 0.0803 1.9950 0.5481 0.3515 0.2866 0.1576 0.1877 0.0309 0.0545 0.1805 0.1886 0.1585 2.7286 2.9866 2.1427 0.0338 2.4942 1.7862
tyrosine 0.9576 0.2792 0.5122 0.7237 0.7388 0.3760 0.7375 1.3283 0.9724 1.2884 1.7316 1.0387 0.7228 0.8652 0.7434 0.4794 1.4532 0.9034 1.1808 0.8332 0.7022 0.7114 0.7555 0.6734 0.8406 1.7711 2.1388 1.4408 0.8009 1.8866 1.2432 0.5081 0.9709 2.1115 0.3836 1.2728 0.9946
tyrosol 1.5762 1.4031 2.9967 0.4460 0.3043 1.3219 1.5663 0.1477 0.1196 0.1093 0.2585 0.2592 0.1300 0.6321 0.7695 0.8123 0.2836 1.1860 2.3476 3.8224 0.6809 0.4903 0.7739 0.7478 0.5199 0.2954 0.4032 1.8403 0.1285 0.1551 0.2599 1.3366 2.3543 0.2083 0.3294 0.8529 0.8995
UDP-glucuronic acid 0.4595 0.5749 1.4480 0.3637 1.0675 0.5316 0.7924 0.9652 0.8070 5.0200 2.4261 2.7611 2.3036 0.2825 0.3038 0.1986 0.5383 0.4152 0.1400 0.3648 0.7611 1.0123 0.5884 0.9110 0.6202 2.9560 1.3007 2.5222 2.8837 1.6696 1.7574 0.4231 0.5336 0.0322 0.3610 0.2273 0.7489
uracil 0.9033 1.5680 0.8161 1.7584 0.6028 1.4467 0.8490 0.6267 0.3549 0.4011 0.4108 0.3456 0.2574 0.6733 1.4021 1.6346 2.5518 2.9158 1.6839 1.6709 0.4201 0.4760 0.6028 0.6869 2.3353 0.7457 0.6141 0.4587 0.0817 0.5040 0.6303 1.1311 0.6589 1.3204 0.9373 1.3777 1.8553
urea 3.0710 1.2072 0.0249 0.0114 0.0341 0.5746 0.0258 0.0451 3.2882 0.0219 0.0689 0.1949 1.2929 0.2121 0.0270 0.0360 0.0740 0.0436 0.0499 0.0516 0.0372 0.0109 0.7635 0.2681 0.0305 0.6818 1.9323 0.0446 1.5377 2.3777 1.4391 0.0790 0.0018 0.0751 0.0938 0.0289 0.0308
uric acid 1.6359 0.4898 0.8040 1.6080 0.2270 0.7227 0.3841 0.3249 0.4408 0.2222 0.4205 0.2795 0.2174 0.2963 2.0810 0.6523 0.4193 3.2464 1.3195 1.4562 0.1075 0.4169 0.1661 0.3556 1.0310 1.5482 0.1911 0.1601 0.1553 0.3233 0.5209 1.6462 0.3823 0.2437 0.0430 0.2282 9.1185
uridine 0.6997 0.3631 0.4240 1.2086 0.9161 0.8047 0.8974 0.7037 0.6945 0.8887 0.6617 0.6410 0.7493 1.1121 1.1584 0.3086 0.6553 0.7504 0.3174 1.6739 1.4563 1.2004 1.3054 1.5413 1.4953 1.0400 0.1038 2.1037 0.6979 0.5813 0.5165 0.4842 0.8939 0.2967 11.0984 0.8020 0.5509
urocanic acid 0.9648 0.6678 0.1612 0.2307 0.0776 0.1830 0.1397 0.0776 0.1912 0.0669 0.1045 0.0735 0.1554 0.9340 1.2489 0.6759 6.8929 2.0452 2.9184 0.5273 0.0375 0.2267 0.0928 0.3134 0.6293 0.1116 0.0735 0.5573 0.0816 0.1462 0.2601 2.9546 1.3949 9.3323 0.1202 2.0341 3.1808
valine 0.9851 0.6790 0.6033 0.7417 0.4051 0.7266 0.4655 0.9982 0.8440 1.5105 2.0388 0.7434 0.6527 0.7807 0.9729 1.2229 2.9372 1.4314 1.9396 0.3792 0.5430 0.4075 0.2424 0.3544 0.9751 1.2263 1.8879 0.6912 0.4820 1.2225 1.4043 1.2159 0.9888 1.9822 0.6818 1.1669 1.3392
vanillic acid 0.5391 1.0269 0.5656 0.5946 0.4958 0.5030 0.5832 0.2031 0.1370 0.1274 0.1807 0.1790 0.1579 0.7870 0.4110 0.4297 0.6982 0.6023 0.3842 1.0673 0.6996 0.7518 0.9879 0.4525 0.6603 0.2905 0.2578 0.2677 0.2060 0.1578 0.1719 0.7757 0.7253 0.7118 30.9581 0.3816 0.4679
xanthine 0.9541 0.3797 0.6585 2.1503 0.2830 0.8368 0.6687 0.3848 0.2838 0.1861 0.2059 0.0981 0.1026 0.3757 3.3141 1.2728 5.9309 1.9653 2.4914 2.0561 0.1981 0.5543 0.4896 0.4905 1.4594 0.3610 0.1422 0.3227 0.0655 0.1533 0.1178 1.5008 0.6380 1.9549 0.0189 1.1252 5.6925
xylitol 0.5744 0.8974 0.9339 0.4318 0.8555 0.4232 0.7101 1.7542 1.2896 1.9494 1.9077 1.6241 1.6237 2.4809 1.7358 0.5913 0.5677 1.5579 0.5389 0.8374 0.4482 0.8877 0.8133 0.6706 0.5823 1.5501 0.3031 3.2451 0.8030 1.1635 1.7143 0.6858 1.3361 0.0875 1.0262 1.2305 1.0482
xylonic acid isomer 0.8512 1.3653 0.2603 0.8192 0.4543 0.8802 0.5211 1.0493 0.7053 0.5496 1.5210 0.7989 0.7059 2.0207 1.1178 0.0430 0.5914 2.0311 0.3405 0.5938 0.8424 0.6426 0.5392 2.3375 0.9633 1.0260 0.9528 2.4994 0.7111 0.8835 1.3769 0.5926 1.8580 0.4032 2.0962 0.8715 1.0806
xylose 0.5703 1.3968 0.8796 2.3860 1.7377 1.2980 1.7626 0.0602 0.0301 0.0847 0.0591 0.0890 0.0308 3.0726 3.2859 2.3314 0.7577 1.8752 0.5798 2.8562 1.8544 2.5168 2.4187 1.4087 2.4662 0.0639 0.0529 0.1404 0.0702 0.1439 0.8315 1.0077 1.9204 0.0687 0.2446 0.8436 1.5166
xylulose NIST 0.3342 0.9812 0.2651 1.3208 0.5033 0.4695 0.8554 0.1464 0.4904 0.2050 0.1375 0.2257 0.3944 9.8339 6.1040 3.5126 0.6878 2.0686 0.7037 1.4883 0.8915 1.3306 0.6265 0.4648 1.5130 0.1772 0.1223 0.2566 0.3214 0.1675 0.1149 1.3261 1.7232 0.0322 0.2495 3.5749 1.4816
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-
F2Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:3
F3Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:6
F4Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:7
F5Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:8
F6Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5
F7Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:6
F8Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:3
F9Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:6
F10Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:7
F11Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:8
F12Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5
F13Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:6
F14Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:3
F15Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:6
F16Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:7
F17Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:8
F18Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5
F19Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:6
F20Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:3
F21Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:6
F22Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:8
F23Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:3
F24Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5
F25Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:6
F26Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:3
F27Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:6
F28Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:8
F29Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:3
F30Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5
F31Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:6
F32Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:3
F33Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:6
F34Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:8
F35Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:3
F36Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5
F37Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:6
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