Data for (Study ST001274)

(Analysis AN002115)

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

MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19
10-Formyldihydrofolate 0.8898 0.8639 1.8683 1.4233 1.0405 0.9484 0.9625 1.0699 0.9030 1.2097 0.9258 0.8737 0.8800 1.1529 0.8788 0.5484 0.6642 0.9936 0.9581
10-Formyltetrahydrofolate 1.4220 0.8205 0.9979 1.6470 1.4240 0.3905 1.4107 0.9535 1.0542 1.1440 0.2995 0.5171 0.7493 0.9215 0.8908 0.8786 0.8468 1.1146 1.5692
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1.0154 0.9577 1.0967 0.9180 0.9570 0.9843 0.8287 0.9291 0.9823 1.1037 1.1286 1.1518 1.0611 1.0327 1.0120 0.7864 0.9660 0.9826 1.0247
1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1.2122 0.7989 1.1917 1.1073 1.2382 1.1423 0.8626 0.9242 1.0058 1.0884 0.9577 0.8789 0.8375 1.1693 0.8623 0.5648 0.7148 1.2588 1.0872
1-18:2-2-18:2-monogalactosyldiacylglycerol 0.8825 1.2106 0.8932 0.7043 0.8017 0.8661 1.0463 0.6935 1.0663 1.2535 1.1545 0.9409 1.0970 1.0160 0.9050 1.1019 1.3553 1.1447 1.0054
1-18:2-lysophosphatidylethanolamine NA NA NA 0.1694 NA 0.1522 0.2944 0.2618 0.1877 0.1913 1.3086 1.9857 0.8881 NA 1.9789 NA NA NA NA
1-4-beta-D-Glucan 0.8232 1.1983 1.1476 0.7873 1.1189 1.3577 0.7976 0.6138 0.8961 0.8440 0.6201 0.8300 0.6796 1.1282 0.6798 2.0554 1.8066 1.2084 0.7497
1-deoxyxylonojirimycin 1.3702 1.0664 0.9225 1.1739 0.9594 0.7588 0.9689 1.0759 0.9959 1.0508 0.6173 0.8014 0.7463 1.3412 0.8032 1.0712 0.9046 0.9603 1.3993
1-(O-alpha-D-glucopyranosyl)-(3R,29S,31R)-dotriacontanetriol 1.1744 1.2158 1.0311 0.9089 0.8988 0.8846 0.8229 0.8982 0.9220 0.9546 0.9218 0.8275 0.9239 1.2602 0.7900 0.7904 1.3989 1.3436 1.0727
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphothreonine 0.8795 0.9958 1.7048 1.1205 1.0573 0.9671 1.1234 1.0070 1.1656 1.1811 0.6986 0.7594 0.7848 1.0172 0.7556 1.0639 0.9057 1.2969 0.8779
1-O-Hexadecyl-sn-glycerol 1.0906 1.4391 1.2487 1.1508 0.6914 0.8697 0.8849 0.8242 0.8459 0.9347 0.8747 0.8270 0.8247 1.0922 0.7953 1.1415 1.1313 1.4629 0.9890
1-O-Octadec-9-enyl glycerol 1.0414 1.2097 1.3980 1.1651 0.6770 0.8419 0.9229 0.9389 0.7895 0.9576 0.8446 0.8276 0.8520 1.1081 0.8819 1.0768 1.0636 1.5431 1.0329
1-O-Octadecyl-sn-glycerol 1.0814 1.1078 1.3234 1.0176 0.5905 0.9251 0.9334 0.9424 0.9286 0.9733 0.9831 0.8752 0.8870 1.1653 0.9037 0.8495 0.9264 1.5182 1.1669
(1-Ribosylimidazole)-4-acetate 0.3584 0.4918 0.6027 1.0369 0.4400 1.8415 1.6068 0.5802 0.8596 1.2698 3.9074 0.8584 1.8784 0.3855 0.9078 0.2975 0.3664 0.4610 0.3608
2,3,4,5-Tetrahydropyridine-2-carboxylate 1.6176 1.0309 0.7686 1.1701 0.8463 0.6365 0.8704 0.9149 0.9162 0.9977 0.5606 0.6672 0.6849 1.6485 0.7775 0.9745 1.0306 1.0888 1.6888
2,3-Dimethylmaleate 0.4415 0.9366 0.8088 1.3558 0.9639 1.7581 1.7944 1.3271 1.1536 1.4553 1.3813 0.6583 1.2792 0.4770 0.8964 0.8976 0.7782 0.6470 0.2053
2,6-Dihydroxypseudooxynicotine 0.4136 0.9867 0.8328 1.1443 0.4732 2.0480 2.0467 1.3546 1.4209 1.2182 1.1408 0.6224 0.9482 0.3727 0.6047 0.7401 0.9332 1.2865 0.2276
2-acetamidoglucal 0.9477 0.9476 0.8087 1.2092 1.3005 0.8878 0.9437 0.8281 1.0277 1.0202 1.1785 1.0552 1.1995 0.7596 1.2028 0.8625 0.8755 0.8090 0.9301
2-Acetolactate 0.2771 1.0914 0.9169 1.0925 1.0179 1.8780 1.4909 1.0556 1.2135 1.2430 1.8022 0.6479 1.2192 0.5668 0.7277 0.8894 0.9926 0.7283 0.2818
2-(alpha-D-Mannosyl)-3-phosphoglycerate 1.8075 0.4192 0.6702 1.5642 0.7355 0.6189 0.8333 0.8901 0.8476 1.0353 0.9159 1.0475 1.0389 0.8418 1.3235 0.5730 0.5134 1.4887 1.5485
2-(alpha-Hydroxyethyl)thiamine diphosphate 1.2130 0.7671 0.9006 1.1730 1.0745 0.7728 1.0073 1.2913 0.9719 0.9779 0.7244 1.0607 1.0260 1.2482 1.1999 0.6176 0.6255 1.0957 1.1247
2-chlorohexadecanol 0.9917 1.4190 0.9558 0.8235 0.7494 0.6191 1.1225 1.0250 0.9655 1.0037 0.6156 0.9214 0.7785 1.3005 1.1123 1.4192 1.1865 1.1700 1.0331
2-C-Methyl-D-erythritol 4-phosphate 0.2573 0.6520 0.7478 1.9004 0.8767 3.2019 1.4119 1.0090 1.1730 1.2399 2.3287 0.3995 1.1143 0.4852 0.5029 0.3931 0.5849 0.2711 0.1582
2-Hexenoylcarnitine NA NA NA NA NA NA 0.1744 NA NA NA NA NA NA NA NA 2.4026 NA 0.4230 NA
2-Hydroxy-2,4-pentadienoate 0.1042 1.0631 0.9011 1.2394 0.9327 2.1608 1.6337 0.9789 1.2312 1.5012 2.2036 0.5223 1.2782 0.3159 0.7112 0.7293 1.0029 0.4554 0.1431
2-hydroxy-4-methylthiobutanoate 3.1528 0.1565 0.7002 0.9136 1.2723 0.5264 0.3385 0.2677 0.5769 0.6877 0.5129 0.5092 0.2905 0.6956 0.3812 NA 0.5431 1.7396 2.9729
2-Hydroxyadenine 1.4200 0.6539 0.7157 1.1116 0.6579 0.4166 0.8081 0.8066 1.0005 0.9670 1.2281 1.9395 1.1474 0.7369 1.5118 0.9599 0.5947 0.7056 1.2574
2-Hydroxybutanoic acid 0.5827 1.0527 0.8006 1.2256 0.8447 1.3139 1.3396 0.8843 1.1029 1.3027 1.6920 0.8049 1.2286 0.6302 0.8389 0.8712 0.9946 0.9154 0.6837
2-Hydroxyethylphosphonate 1.0977 1.1342 0.9166 1.1308 1.1925 0.7898 0.8854 0.9633 0.9155 0.9612 0.7624 0.9550 0.9235 1.0977 1.0575 0.9794 1.0827 1.0640 1.0329
2-Methylaminoadenosine 1.2123 0.9479 1.1463 1.0901 0.9206 0.5968 0.7664 1.3957 0.9878 0.9154 0.5473 1.0768 1.2621 1.2603 1.3115 0.6390 0.6291 0.9274 1.2190
2-(Methylthio)ethanesulfonate 1.3354 0.6180 0.7527 0.7104 0.5289 0.3985 0.7553 0.6520 0.9946 0.9998 1.2985 1.6809 1.3775 0.7063 1.1291 0.9509 0.9666 0.5674 2.2371
2-Octenedioicacid 0.7667 1.0755 0.8089 0.5981 3.1348 0.6848 0.8576 0.8688 0.7843 0.9262 0.7353 0.9498 0.7278 0.9942 0.6244 0.9769 1.3874 1.0327 0.9764
2-oxobut-3-enanoate 1.2205 0.8867 0.7514 0.7256 1.2540 0.7428 0.5919 0.5744 0.9423 0.7347 0.9290 1.9825 0.8615 1.1760 1.8465 0.5259 1.0465 0.6916 0.9810
2-Oxobutanoate 0.5968 1.8028 0.7230 1.0075 0.9398 1.6916 1.3191 0.9425 1.1602 1.1025 1.6552 0.4354 1.3257 0.8550 0.5230 0.6516 1.1971 0.5622 0.4236
2-Oxoglutaramate 1.5293 0.7914 0.6875 1.1209 0.6412 0.8289 1.0591 1.1026 1.1437 1.2146 0.8653 0.9493 0.8752 1.3759 0.9820 0.5732 0.6402 0.9467 1.5150
2-Oxoglutarate 0.6853 1.8081 0.7330 1.0525 0.2163 0.7275 1.2444 1.5717 0.9883 1.0466 0.7670 1.0706 1.1889 0.8859 1.1762 1.6903 1.4465 0.5661 0.4565
2-Oxopentanoic acid 0.6694 0.7221 1.1869 1.5784 0.5448 1.4250 1.1399 0.7042 1.0082 1.2033 2.1346 1.0597 1.4994 0.5633 0.9489 0.3569 0.7417 0.6826 0.5865
(2R,4S)-2,4-Diaminopentanoate 1.3059 1.1767 1.0431 1.1580 0.9087 1.0452 0.9810 0.9210 0.9338 1.0837 0.9058 0.6636 0.8039 1.2728 0.7812 0.8335 1.0773 0.8307 1.2002
2-trans,6-trans-Farnesal 0.9451 0.6432 0.6270 0.5108 0.6636 0.5669 0.6630 0.5991 0.6183 0.7936 0.6667 0.7264 0.7394 1.1086 0.6198 7.1879 0.5997 0.6585 0.9992
3-(2-Hydroxyphenyl)propanoate 0.7876 0.1837 0.3252 0.7450 0.7473 0.4913 0.2601 0.1779 0.6349 0.5761 3.2878 2.6143 2.5785 0.1021 2.4549 0.2296 0.4256 0.4595 0.6910
3-(4-Hydroxyphenyl)lactate 0.9628 0.6625 0.6748 0.9009 0.8173 0.9195 0.8353 0.6940 0.9015 0.8519 1.7625 1.7179 1.8211 0.6037 1.6169 0.4560 0.7291 0.7728 0.7781
3-(4-Hydroxyphenyl)pyruvate 0.5397 0.3678 0.7421 1.0449 0.7736 1.2510 0.9491 0.6894 0.8152 0.9787 2.8926 1.4932 2.1614 0.3704 1.6411 0.2862 0.4028 0.6507 0.3286
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 1.2713 0.8152 0.4292 1.2866 0.6740 0.7387 0.6494 1.3855 1.3910 1.0918 0.7858 0.1746 0.4437 1.9741 0.9941 1.2847 1.2328 0.9966 1.4962
3^,5^-Cyclic AMP 0.1824 0.2008 0.1706 0.2257 0.2378 0.2024 0.2352 0.2117 0.2173 0.2458 0.2033 0.2220 0.2715 0.1417 0.2336 0.1760 0.2008 17.9094 0.3538
3,6,8-Trimethylallantoin 1.4496 0.5739 0.3984 0.1676 1.1467 0.1421 0.2335 0.3402 0.2755 0.2848 1.1432 2.2753 2.0050 1.4277 2.5354 0.7209 0.6578 0.1850 1.1788
3-beta-D-Galactosyl-sn-glycerol 1.1660 0.7565 0.5782 1.1015 0.8532 0.9813 1.0906 1.1010 1.0828 1.1076 1.0291 1.1640 1.1471 1.0879 1.2697 0.4958 0.6069 1.1581 1.0281
3-Butynoate 0.5010 0.8683 0.8942 1.4391 0.9378 1.8870 1.8298 1.2570 1.2964 1.4474 1.2657 0.6244 1.2349 0.5008 0.7677 0.9883 0.6957 0.6000 0.2168
3-Cyano-L-alanine 0.8846 1.3223 1.0231 0.7762 0.8028 0.8082 0.9979 0.7989 0.9872 1.0675 0.9736 0.9261 1.0637 1.0130 0.8167 1.1461 1.3896 1.4232 0.9875
3-Dehydroquinate 1.5845 1.2155 0.7297 1.1102 0.6203 1.0413 1.0158 1.0841 0.9849 1.1037 0.7828 0.7022 0.7483 1.2654 0.7697 0.8997 1.1351 0.8549 1.3040
3-deoxy-D-galactose 0.6736 0.9091 0.8193 1.4113 0.9795 1.7580 1.4745 0.9368 1.1269 1.3076 1.6702 0.6511 1.1897 0.5687 0.8031 0.6382 0.7478 0.8740 0.4420
3-Deoxy-D-manno-octulosonate 8-phosphate 0.9027 1.4959 0.5056 1.6008 0.2309 0.5391 1.0679 1.4848 0.9699 1.0120 0.8181 1.3510 1.4221 0.6986 1.5598 1.0857 0.9840 0.7092 0.5167
3-Methyl-2-oxobutanoic acid 0.6556 0.4728 1.1514 0.8334 0.7234 0.8957 1.5604 0.7582 1.2455 1.2957 2.2774 1.1306 1.6936 0.5317 0.5940 0.5251 0.9122 0.9128 0.9206
3-Methylbutanoic acid 0.9824 1.2385 1.1097 0.9075 0.8563 0.8554 0.8688 0.8542 0.8175 1.0772 1.0493 1.1208 1.1020 1.0185 0.9165 0.9444 1.4364 0.9157 0.9348
3-Methylguanine 1.3165 0.9554 0.7308 1.0344 0.8352 0.7884 0.7477 0.7539 0.9633 1.1302 1.0718 1.2924 1.0708 1.3444 1.2533 0.7133 0.6486 0.7815 1.1853
3-nitro-2-butanol 1.2120 0.9072 2.0450 1.0978 0.9362 0.4411 0.8497 1.2891 0.8290 0.6999 0.6547 1.3318 0.9337 1.1476 1.2823 0.6631 0.8758 1.0067 0.8616
3-nitro-2-pentanol 0.8213 0.5201 4.9730 1.0089 1.6683 0.7931 0.4497 0.7458 0.5902 0.6892 0.7050 1.0774 1.3002 0.9049 1.3720 0.1812 0.3727 0.3818 0.5412
3-Oxododecanoic acid 1.5332 0.4801 0.3747 1.3512 0.5007 0.5573 0.3873 1.7589 1.4976 0.9640 0.9171 0.1035 0.3807 2.2472 1.2856 1.0276 1.3841 0.9653 1.3739
3-Phospho-D-glycerate 0.6272 1.5794 1.1931 1.0899 0.8506 0.8347 1.1333 1.5226 0.8198 0.7858 0.7164 0.9154 0.8598 1.2640 1.3892 0.9418 0.7882 1.1722 0.6058
3-Propylmalate 1.8100 0.5796 0.7983 1.1592 1.5327 0.6385 0.7903 0.7821 0.8542 0.8055 0.5674 0.7866 0.7211 1.8072 0.7344 0.4235 0.4848 1.5071 1.8289
3-(Pyrazol-1-yl)-L-alanine 1.1601 1.2643 1.1457 0.8451 0.8965 0.8311 1.0455 0.7805 1.0154 1.0949 0.8482 0.7651 0.8467 1.0554 0.7176 1.2048 1.2731 1.2347 1.1739
(3R)-hydroxy-N-acetyl-(L)-arginine 1.5320 0.4763 0.3269 0.2185 1.2403 0.1635 0.2743 0.3516 0.3072 0.3181 1.0653 2.2230 2.1330 1.6041 2.6111 0.7656 0.5977 0.2476 1.3411
4,8,12-Trimethyltridecanoyl-CoA 0.7314 1.2415 0.9664 0.9593 1.3428 1.5634 1.3317 1.3825 1.0306 0.9081 0.6791 0.8074 0.7677 1.2915 0.8339 0.5419 0.9660 1.2717 0.4829
4-Acetamidobutanoate 0.5546 0.8917 0.9479 1.1818 0.7706 1.5377 1.3653 0.8689 1.0192 1.2525 1.9612 0.8838 1.2788 0.6208 0.8743 0.6417 0.8992 0.8300 0.5762
4-amino-4-deoxy-L-arabinose 1.4915 0.9932 0.7696 1.2160 1.0559 0.8823 1.0606 0.9212 0.9370 1.0203 0.6860 0.6876 0.7475 1.3451 0.7898 0.9534 0.9438 0.9218 1.4594
4-Aminobutanal 0.4130 1.1422 1.2843 0.9666 0.9684 1.6212 1.2715 0.9420 1.0814 1.3636 1.4286 0.8454 1.3317 0.5760 0.8340 0.9388 1.1148 0.7242 0.3325
4-Hydroxy-2-oxopentanoate 1.0373 0.7474 1.0216 1.4848 0.7826 0.6762 1.0950 1.4495 0.9517 0.9764 0.6796 1.2627 0.9101 0.9044 1.1834 0.5474 0.8040 1.7458 0.8880
4-Hydroxy-4-methylglutamate 1.6898 0.7483 1.3639 0.8722 1.3466 0.6291 0.8394 0.9929 0.8573 0.8697 0.6128 0.7838 0.7580 1.7344 0.8630 0.5821 0.6087 0.9509 1.6635
4-Hydroxybutanoic acid 0.6010 0.9908 0.7969 1.1816 1.2156 1.4268 1.2108 0.8574 0.9027 1.0343 1.8277 0.8274 1.2693 0.7415 0.8101 0.8787 0.7855 0.8377 0.6304
4-Hydroxyhexan-3-one 0.9110 1.2046 1.0024 0.7825 1.1660 0.8394 0.9194 0.8034 0.9763 1.0255 0.8194 1.0027 0.9632 1.1235 0.9923 1.2233 1.3302 0.8370 1.1072
4-Hydroxyphenylacetylglutamic acid 0.6918 1.4518 1.3099 0.7104 0.6156 0.8352 0.9907 0.8114 1.1344 1.1647 1.1672 0.8860 1.0772 0.8692 0.5418 1.2562 1.5020 1.4045 1.0153
4-Hydroxyphenylglyoxylate 0.8234 1.3364 1.0606 0.7577 0.7125 0.7738 0.9958 0.7772 0.9673 1.0278 1.0921 0.9129 1.0034 1.0974 0.7665 1.1936 1.3566 1.2159 0.9324
4-Imidazolone-5-propanoate 1.5384 0.7928 1.0063 1.2214 0.8101 0.8394 0.9821 1.0338 1.1777 1.1580 0.5576 0.7358 0.7787 1.3869 0.7608 0.6151 0.8669 1.2446 1.5148
4-Methyl-L-glutamate 0.8589 0.7107 0.7389 0.8888 0.5589 0.6532 0.5509 0.5265 0.6535 0.6442 1.4660 2.9281 1.2351 0.7187 2.5638 0.4897 0.6379 0.3992 0.8504
4-(Trimethylammonio)but-2-enoate 1.5446 0.9250 0.5424 1.1272 1.2439 0.8684 1.0423 1.1542 1.1406 0.7981 0.6146 0.7338 0.5756 1.4988 0.6973 1.0083 0.9785 0.8500 1.5349
4-Trimethylammoniobutanal 0.6093 1.3467 1.2411 0.5774 0.9275 0.8727 1.2148 0.9093 1.0313 0.7577 0.7884 0.4794 1.1545 1.1854 0.6920 1.3221 1.5439 1.9410 0.8958
4-Trimethylammoniobutanoate 1.0713 1.0843 1.0350 1.1874 0.7633 0.9538 1.2402 1.7251 1.0736 1.0324 0.6718 0.7139 0.7101 1.1465 0.8169 0.8894 0.9194 1.1010 1.1188
5,6-Dihydrothymine 1.0671 1.2172 0.5033 1.1970 0.8630 1.1152 1.3165 1.4921 1.0348 0.9686 0.8195 0.6963 0.6810 1.1013 0.7061 1.1094 1.2871 0.9849 1.0138
5,6-Dihydrouracil 0.8371 0.7679 0.8310 1.3638 0.7176 1.0917 1.2432 0.9379 0.9160 1.0760 1.6110 1.1365 1.2634 0.8610 1.1426 0.6229 0.7212 0.9907 0.7032
5-6-Dihydrouridine 1.2468 0.9386 0.6537 0.8086 1.1456 0.7713 0.9153 0.8730 0.8005 0.9237 1.1027 1.1852 1.2203 1.1248 1.1602 0.8311 0.9550 0.8804 1.1715
5-Guanidino-2-oxopentanoate 1.0801 0.6830 1.4044 1.0110 1.1760 0.6527 0.7687 2.6750 0.8709 0.8174 0.6998 1.0774 0.9625 0.9915 1.1723 0.5622 0.5102 1.0959 0.9652
5-Hydroxyindolepyruvate 0.4101 0.5551 0.6286 0.9809 0.6350 1.1127 0.9703 0.5176 0.7363 0.9555 2.9451 1.5643 2.2404 0.4893 1.6779 0.2267 0.2476 0.4959 0.3087
5-Hydroxypentanoate 0.9522 0.8373 0.8473 1.2201 1.5449 1.2748 1.0731 0.8758 1.0125 1.1164 1.3453 0.8648 0.9359 1.0029 0.8344 0.6862 0.9483 0.7707 0.6896
5^-methylthioformycin 1.0194 0.5412 3.6185 0.9292 2.1440 0.7016 0.4705 0.6709 0.8202 0.6090 0.6435 1.2053 1.2210 0.8056 1.0884 0.3957 0.6843 0.4652 0.9001
6-Acetamido-2-oxohexanoate 1.5391 0.7602 0.9201 1.5813 1.4475 0.5827 0.8292 1.1306 1.2002 0.6915 0.3999 0.8127 0.6572 1.3946 0.6504 0.5556 0.6490 1.8575 1.2991
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate 1.2346 1.0997 0.7607 0.8685 1.0792 0.7131 0.9050 0.9129 1.0400 1.0421 0.7891 1.0548 1.0348 1.2637 1.0282 0.8769 0.9255 0.9618 1.2656
6-Amino-2-oxohexanoate 1.2179 0.9085 0.8002 1.0112 1.2225 0.9816 0.9660 1.1126 0.9848 1.0957 0.9448 0.7168 0.7703 1.2966 0.8966 0.8985 0.8714 0.8882 1.3202
6-Phospho-D-gluconate 0.6801 1.5951 0.6151 0.6300 0.9247 0.5824 1.6741 2.0412 0.6453 0.6575 0.4710 1.3051 0.9067 1.4967 1.1944 1.2723 1.2557 0.4671 0.7426
7,8-diketopelargonate 0.5405 0.7458 0.6815 0.4386 5.1162 0.5038 0.4820 0.5444 0.5830 0.6194 0.5261 1.2599 0.6989 1.2706 0.7116 0.7683 1.1068 0.6934 1.0791
7E,9E,11-Dodecatrienyl acetate 0.8267 1.2984 1.0778 0.9077 0.5427 0.8908 0.9495 0.5943 1.2452 0.7628 0.5282 0.5396 0.8072 0.6468 0.4895 5.2412 0.9107 0.8995 0.7616
9-Oxononanoic acid 0.7525 0.9084 0.8617 0.5221 2.9099 0.6209 0.6762 0.5894 0.7254 0.7182 0.8681 1.1602 0.9404 1.1386 0.8858 1.1938 0.9511 0.7712 1.4276
(Ac)2-L-Lys-D-Ala 0.9442 0.9032 0.3483 0.6670 0.6925 0.7126 0.8253 0.9004 0.8626 0.8273 1.2920 1.7453 1.5705 0.9999 1.7324 0.9273 0.9352 0.7952 0.9243
Acetoacetate 1.3186 1.0403 0.8257 1.1566 0.8121 0.9078 1.0188 1.0449 1.0670 1.1227 0.8043 0.7112 0.7965 1.2757 0.7330 1.0389 1.0906 0.9527 1.3229
Acetyl-CoA 1.2437 1.0171 0.7962 1.0371 0.8337 0.7297 1.0195 1.0504 0.9431 1.0577 0.7815 1.0109 1.1395 1.2561 1.1859 0.9864 0.9886 0.8305 1.0105
Acetyl phosphate 1.6348 0.5833 0.5860 0.9490 0.9174 0.3656 0.6197 0.5590 0.7792 0.8589 1.1145 1.6607 1.1302 0.8055 1.2250 1.0360 1.1007 0.8691 1.8076
a Cysteine adduct 0.8281 0.6912 0.9142 1.1869 0.9933 1.6793 1.6195 1.0349 1.1129 1.3712 1.5756 0.7541 1.2275 0.7955 0.7516 0.4811 0.6592 0.6363 0.6449
Adenine 1.2282 0.2217 0.6143 0.7476 1.4402 0.3283 0.3555 0.4370 0.8160 0.7790 1.4632 1.9162 0.9872 0.3692 1.0772 0.7676 0.9707 0.4011 3.3651
Adenosine 1.3430 0.6972 0.6138 1.0128 2.8960 0.6257 0.7750 0.7518 1.0351 0.8518 0.7823 1.1679 0.8387 0.8238 0.9013 0.7842 0.7265 0.7691 1.1809
ADP 1.0900 0.9104 0.9831 1.1066 0.9464 0.6740 1.0052 1.1511 1.0882 1.1378 0.7915 1.0067 1.2177 1.1090 1.0390 0.9950 0.9214 0.9849 0.9088
aeruginosin A 1.0779 1.1545 1.0175 0.7666 1.0153 0.7998 0.9940 1.1093 1.1721 0.9467 0.5877 0.9295 0.8104 1.0606 0.9131 1.3789 1.3080 1.0175 1.1766
Ajmaline 1.3124 1.8175 1.1337 0.6100 0.9376 0.6362 0.6252 0.6775 0.7113 1.0113 0.7503 0.3046 0.6440 1.5837 0.3574 1.5241 2.7761 1.0224 0.6722
Ala-Asp-Gly 1.1071 1.2145 1.0673 0.7744 1.3749 0.7703 0.9388 0.9476 0.8748 0.9138 0.6844 0.8527 1.0734 1.2233 1.0260 0.9303 1.0028 1.3708 0.8644
Ala-Leu-Asn-Gln NA 0.9285 3.3039 0.7104 NA NA 0.4483 0.2421 0.2168 0.2188 NA NA NA NA NA 0.6676 0.4803 1.2402 NA
Ala-Leu-Lys-Val 0.7745 0.3673 0.7879 0.7578 0.5028 0.5612 0.9148 0.9676 0.8287 0.7898 1.8272 2.1172 1.7717 0.6477 2.4773 0.2018 0.1777 0.4696 0.6044
Ala-Leu-Met-Val 0.8582 0.5712 1.4493 0.9678 0.8333 0.5038 1.0261 0.8414 0.9240 0.9425 1.1796 1.7876 1.0739 0.7894 2.0254 0.4408 0.5911 0.8464 1.1136
Ala-Leu-Phe-Phe 1.2781 0.8843 0.8679 1.0132 0.9941 1.0593 0.8484 1.2375 1.0431 1.0411 0.7536 0.8092 0.9939 1.5552 0.9421 0.8254 0.8814 0.7659 1.0839
Ala-Leu-Phe-Tyr 1.1614 0.9743 1.0275 1.0473 0.9915 1.3139 0.7561 0.9809 1.2339 1.0305 0.9649 0.9528 1.0828 1.3416 0.9530 0.6264 0.9324 0.6864 0.7610
Ala-Met-Asp-Tyr 0.8528 1.2892 1.1681 0.7601 0.8575 0.8805 1.0138 0.7955 1.0168 1.1014 0.9907 0.9619 0.9751 0.9781 0.7556 1.1906 1.5039 1.2057 0.9515
Ala-Phe-Val-Tyr 0.9843 0.9177 1.2203 1.1843 1.1071 1.1719 1.0152 0.9782 1.3894 1.1933 0.7455 0.9940 0.8590 1.2298 0.8822 0.5111 0.9363 0.6199 1.0264
Allantoate NA 0.5663 0.8598 1.1043 0.3913 2.0280 1.5905 0.8755 1.1432 1.2364 1.6989 0.4899 1.0649 NA 0.6187 0.4347 0.9067 0.4022 NA
Allantoin 0.4783 0.9222 1.0296 1.2215 0.9804 2.1216 1.5784 1.0377 1.1207 1.3524 1.5154 0.5754 1.1137 0.6771 0.7339 0.6798 0.8408 0.7603 0.3608
allopurinol 1.3645 0.9423 0.5143 2.3491 0.8313 0.8856 1.1499 0.6375 1.0273 1.2573 0.6979 0.5732 0.7413 1.0891 0.7076 0.6394 0.7312 1.3387 1.3464
alpha-D-Glucosamine 1-phosphate 1.2478 0.8616 0.9201 1.2235 0.7914 0.7048 0.7790 0.8931 0.8346 0.8471 0.8918 1.1907 1.1534 1.2345 1.2820 0.6836 0.6971 1.2598 1.2326
alpha-Irone 1.4738 0.6854 0.6052 0.5585 1.4358 0.5997 0.5572 0.5636 0.6144 0.6178 1.2225 1.3490 1.3704 1.6270 1.4379 0.6212 0.6615 0.6632 1.5619
AMP 1.3872 0.5017 0.5469 0.8664 0.5569 0.2269 0.5718 0.6495 0.8869 0.9771 1.3168 2.0466 1.3447 0.7387 1.5142 0.9128 0.6678 0.7180 2.0517
Anthranilate 1.2189 0.9986 0.6323 0.9428 1.1052 0.8166 0.8866 0.9868 0.9425 0.8719 0.7692 0.7800 1.7277 1.2013 0.7353 1.0073 0.9462 0.8397 1.3694
Arg-Lys-Pro-His 0.8733 1.1209 1.1499 0.7646 0.9707 0.8747 0.9632 0.8473 1.0597 1.1211 1.3159 0.7482 1.0491 1.0872 0.7112 1.2072 1.2861 1.1332 0.9084
Arg-OEt 0.6251 0.8676 0.9392 1.1465 1.0777 1.2500 1.4113 1.4555 1.2047 1.1229 1.2414 0.9236 1.1239 0.7058 0.9272 0.8169 0.7145 0.8998 0.6876
Arg-Phe-Phe-Arg 0.8045 1.3872 1.0268 0.7136 0.7342 0.8777 0.9470 0.7321 0.9935 1.0262 0.9995 0.9562 0.9692 0.9625 0.7300 1.4376 1.5931 1.4223 0.9814
Arg-Thr-Thr-Asp 0.9162 0.9351 1.2224 1.1278 0.7668 0.7838 1.1320 1.2302 1.0543 1.1073 0.8229 1.1056 1.0870 0.9843 1.3176 0.8015 0.7330 0.8303 1.0695
Asn-Gln-Tyr-Tyr 1.1826 1.1660 1.0704 1.3777 1.4590 0.9309 0.7913 0.8542 0.6999 0.7900 0.6001 0.6777 0.7309 1.7894 0.7765 0.8136 0.7453 0.9758 1.2537
Asp-Cys-Cys-Ser 0.1672 0.2727 1.1799 1.4846 0.3325 3.2846 0.8567 0.7614 0.9346 1.0882 3.9696 0.6720 1.4763 0.1768 0.8897 0.1754 0.2670 0.1119 0.2426
Asp-Lys-Lys-Tyr 1.1329 1.1388 0.9998 1.0123 0.9530 0.8725 1.0046 0.9588 1.0339 1.0871 0.8175 0.9670 0.8446 0.8968 0.8386 1.2117 1.1757 1.3599 0.9024
Asp-Met-Phe-Ser 0.8864 1.3000 1.1998 0.7461 0.7915 0.7928 1.0562 0.8268 1.0280 1.1526 0.9364 0.9102 0.9682 0.9905 0.8108 1.3171 1.4657 1.1413 0.9764
ATP 0.7352 1.2966 1.5413 0.8864 1.3479 0.9885 1.1139 1.5065 0.9815 0.9170 0.4052 0.6315 0.8662 1.3805 1.0054 0.9661 1.1146 1.0727 0.5465
Bakkenolide A 0.9391 0.7198 0.6370 0.4424 1.9302 0.5517 0.5768 0.4812 0.5477 0.5850 1.1596 1.7294 1.5548 1.2756 1.4214 0.6664 0.7498 0.6976 1.5699
Bathocuproine disulfonic acid 1.3408 0.9534 1.1314 1.4655 1.6345 1.0603 0.7555 0.5691 0.6362 0.6997 1.3704 0.7009 1.1691 0.7236 0.8925 0.8479 0.8378 1.0639 0.7829
Bergaptol 0.8405 1.2992 0.9410 0.6122 0.7889 0.9813 1.1001 0.6226 1.2418 1.1160 1.1281 0.9018 0.6526 1.0007 0.5313 1.2781 1.6882 1.6065 1.0675
beta-D-Digitalopyranose 1.7610 0.5593 0.6978 1.0355 1.7362 0.6430 0.7454 0.7380 0.8189 0.8208 0.6197 0.7257 0.7288 1.8960 0.7005 0.4433 0.5068 1.4131 1.9563
Betaine 1.7024 1.1474 0.6276 0.9341 1.0073 0.7730 1.0218 1.0330 1.0514 0.8399 0.6161 0.5720 0.5343 1.6820 0.6168 1.0469 1.0723 0.7397 1.8402
Betaine aldehyde 0.8201 1.3093 1.0585 0.7615 0.8489 0.9770 1.0535 0.8339 0.9771 1.0737 0.9284 0.9304 0.9350 1.0461 0.7429 1.2491 1.5104 1.2531 0.9434
Butanoylphosphate 1.0759 1.1294 0.9030 1.1722 1.1238 0.7402 0.9371 0.9443 0.8904 1.0800 0.7674 0.9739 0.9425 1.1293 1.0748 1.0184 1.0118 1.0592 0.9874
CAPS 1.0333 1.4136 1.0618 0.8398 1.0314 0.7490 1.0052 0.9885 1.0584 1.0123 0.5774 0.7740 0.7212 1.2759 0.7682 1.4743 1.3945 1.0099 1.0625
Carnosine 0.4535 1.0474 0.8487 1.2866 0.9168 1.6704 1.5652 1.0156 1.0672 1.2368 1.9065 0.6991 1.2344 0.4470 0.8297 0.8302 0.8767 0.7442 0.3701
CDP 0.8017 1.2816 1.0853 0.9940 0.7247 0.6518 1.4379 1.5864 1.1376 1.1128 0.4520 0.6395 1.0605 1.7148 0.9080 1.3596 1.0081 0.7911 0.6321
CDP-choline 0.9418 0.7145 1.6830 1.1145 0.6112 0.6303 0.7559 0.7798 0.9867 1.2080 0.8008 1.3644 1.1969 0.8518 1.3431 1.0159 0.9498 1.0235 1.1288
CDP-ethanolamine 0.5713 0.9079 2.7424 1.0570 0.5047 0.7867 1.0975 0.9959 1.0029 1.2155 0.5945 1.0538 1.3027 0.5879 1.3994 1.1330 1.0304 0.9796 0.5859
Cephamycin C NA NA 0.1844 NA NA NA NA NA NA NA 0.6589 2.1967 0.6367 NA 1.5768 NA NA NA 0.0853
Cer(d33:1) 0.8624 1.0598 1.3499 0.9661 0.9890 0.9303 0.9554 0.8726 0.8512 1.0020 1.0046 1.1306 0.9632 1.1387 0.9946 0.9020 0.9989 1.1227 0.9196
Cer(d35:1) 0.9553 1.1515 1.4804 0.8767 0.9494 0.8512 0.8176 0.8050 0.8825 0.9706 1.0075 1.0803 1.0650 1.0305 0.9888 1.0743 0.9186 1.1263 0.9873
CHAPS 1.2514 1.1686 0.9301 0.7311 1.1789 0.7218 0.8803 0.8613 0.9131 0.8935 0.7401 0.8777 0.9062 1.4366 0.8866 1.2783 1.1918 0.9182 1.2011
Chenodeoxyglycocholate 0.6064 1.1578 0.9383 1.3872 1.2585 1.2834 1.1693 0.8015 0.9046 1.0821 1.5137 0.7834 1.1330 0.5508 0.8292 0.8470 1.1041 0.9556 0.6448
Cholesterolsulfate 1.0831 1.0167 1.5060 1.4575 1.1700 1.0142 0.9689 0.9419 0.9499 0.9038 0.6294 0.6374 0.6904 0.9704 0.8103 0.9490 0.9391 1.4555 1.0599
Choline 0.9351 1.2970 1.5928 0.5521 0.7184 0.6758 0.9059 1.6020 0.8686 0.8323 0.6073 1.1540 1.0709 0.9598 1.2240 1.2789 1.1349 0.9176 0.9559
Choline phosphate 1.3741 1.0465 0.9408 0.9903 0.8159 0.6610 0.8863 1.1965 0.9060 1.0130 0.6365 0.9757 0.7766 1.1031 1.0714 1.2188 0.9946 1.3859 1.1424
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene 1.1105 1.1103 0.9516 0.8418 0.7799 0.7165 1.1647 1.1776 1.1235 1.1394 0.7022 0.9569 0.8753 1.1692 1.0308 1.1578 1.0300 1.0350 1.1217
cis-2-hydroxypenta-2,4-dienoate 1.4976 0.5857 0.6190 1.3172 1.1652 0.8591 0.6711 0.5752 0.9828 1.0477 1.3253 1.1447 1.2048 0.4708 1.0738 0.6531 1.2063 1.1782 1.1558
cis-Acetylacrylate 0.1971 1.0374 0.8785 1.2685 0.9028 2.0913 1.6150 1.0375 1.1828 1.4195 2.0022 0.5178 1.2668 0.4844 0.7905 0.7215 0.9971 0.4922 0.1831
Citrate 0.3728 0.9066 0.8629 1.8176 0.8084 1.6067 1.4780 1.3035 1.1338 1.3413 1.5722 0.7404 1.2942 0.5462 0.9006 0.6606 0.8033 0.5891 0.3047
CMP 1.1411 0.8003 0.8392 1.0473 0.8950 0.5322 0.8310 0.9105 1.1578 0.9975 0.8016 1.1876 1.3625 1.1316 1.1659 1.1631 0.7888 0.9392 1.2146
CMP-N-trimethyl-2-aminoethylphosphonate 0.9875 1.0671 1.4278 1.0088 0.5164 0.7790 0.9607 1.0666 0.8487 1.0882 0.8349 1.2907 1.1794 1.0133 1.2241 0.8693 0.9105 0.9375 1.0170
CoA 1.5796 0.6333 0.7147 0.9376 1.1626 0.4883 0.6494 0.6610 0.9778 1.1357 0.6775 1.2443 1.1462 1.1543 1.2337 0.8641 0.7802 0.8702 1.7526
Corydaline 0.5617 0.6498 0.8482 1.7886 1.7765 2.0277 1.4005 1.1475 1.4951 1.2488 1.1938 0.4409 0.9873 0.4298 0.6929 0.6059 0.5998 0.5945 0.4959
Creatine 1.1873 1.0286 0.6511 0.9604 1.0590 1.1584 1.0289 1.1614 0.8754 0.9024 0.9867 0.8070 0.9594 1.3581 0.8167 0.9123 1.0667 0.7078 1.1989
Creatinine 0.6434 0.8850 0.7988 1.4108 0.9086 1.7786 1.4158 1.0397 1.0592 1.2929 2.0426 0.7766 1.2863 0.4198 0.8962 0.6023 0.6778 0.6051 0.3334
CTP 0.5160 1.5831 1.5095 0.7159 0.9648 1.0489 1.5072 2.0402 0.9623 0.8545 0.3118 0.4952 0.7319 2.1798 0.8896 1.0038 0.9942 0.6501 0.4214
Cumene 1.1506 0.9416 0.7590 1.0487 0.6503 0.6851 0.3920 1.0494 1.6188 0.8993 0.8433 0.1431 0.3846 1.8095 1.0280 1.1731 1.5802 1.0382 1.0359
Cys-Leu-Cys-Tyr 0.7719 1.3587 1.1310 0.8767 0.7806 0.8041 1.0867 0.7667 0.9672 1.0423 0.9689 0.8306 1.0596 1.0065 0.7281 1.3204 1.4496 1.2645 1.0431
Cys-Lys-Cys-Cys 1.2008 1.0198 0.9190 1.0894 1.3270 0.6191 0.8350 0.9210 1.0604 1.0548 0.6430 1.0524 0.8012 1.1303 0.9905 0.9234 1.0769 1.2691 1.0818
Cys-Met-Phe-Thr 0.8985 1.2511 1.2455 0.7524 0.7981 0.8507 1.0269 0.8040 0.9557 1.0626 0.9073 0.9013 0.9403 1.0844 0.7995 1.2163 1.4756 1.2936 1.0063
Cys-Ser 1.8479 1.0284 0.9159 0.6894 1.0025 0.5810 0.6848 0.6928 0.7198 0.7179 0.6900 0.8497 0.8261 1.8697 0.8877 1.0575 1.1438 0.6467 1.7932
CysteineMercaptoethanol disulfide 0.0671 0.8702 0.8485 1.3663 0.7313 2.0581 1.6991 1.0413 1.1963 1.4944 2.3200 0.7103 1.4148 0.3280 0.8584 0.6590 0.7041 0.5802 0.1083
Cytidine 0.6188 0.6091 0.8622 1.2149 1.2848 1.4571 1.0929 0.9900 1.5265 1.0365 1.4392 0.9294 1.4084 0.6620 1.1566 0.5542 0.5396 0.8985 0.5945
Cytidine 2^-phosphate 0.5582 0.9453 2.5981 0.9822 0.4881 0.8323 0.9977 0.9566 1.0044 1.3330 0.6632 1.1037 1.2349 0.6345 1.3066 1.1821 1.1035 0.9608 0.6488
dADP 1.6732 0.8508 0.3971 0.9718 0.6099 0.5714 0.9258 1.1654 0.8958 1.0333 0.9318 1.1906 1.2160 1.0578 1.1918 1.0339 0.9139 0.7146 1.4251
dAMP 1.4281 0.4325 0.4101 0.5028 0.3939 0.1519 0.4746 0.6696 0.5649 0.6492 1.3656 2.2176 1.2370 0.6827 1.5030 1.0989 0.7426 0.4446 3.2941
D-Arabitol 0.7759 1.1008 0.8035 1.2504 0.8928 1.2143 1.3888 0.9519 1.0671 1.2818 1.5048 0.8413 1.1812 0.3979 1.0855 0.8045 1.1031 0.8752 0.5482
dATP 1.1119 1.3623 0.7526 0.8122 1.0138 0.8362 1.0983 1.5880 0.9354 0.9245 0.4950 0.6747 0.8733 1.6398 1.0660 1.0440 1.2227 0.8953 0.7691
dCDP 1.6076 1.2150 0.4376 0.9214 0.4810 0.2222 1.0788 1.1802 0.8105 0.9909 0.7425 1.1210 1.1879 1.5065 1.0341 1.4723 0.8125 0.7003 1.1541
dCDP-ethanolamine 0.9436 1.2912 2.2003 0.9940 0.4419 0.6232 0.8781 0.9741 0.8684 1.0937 0.5084 1.1570 1.0086 0.8886 0.9953 1.1388 1.1275 1.2853 0.9735
dCMP 1.1945 0.6591 0.3752 0.5322 NA NA 0.7978 0.5031 0.5080 0.6276 0.9182 1.5912 1.1243 0.7310 0.9953 1.0493 0.8719 NA 1.8093
dCTP 1.0436 1.7779 0.8626 0.7316 0.7861 0.7009 1.4369 1.8905 0.7958 0.7868 0.3445 0.5116 0.7155 2.3932 0.8311 1.2257 0.8800 0.8082 0.6492
D-Cysteine 1.0242 1.5715 0.9234 0.6242 0.8867 0.7299 1.5308 1.3386 1.2496 0.9600 0.2760 0.4435 0.7705 0.9927 0.5922 1.5792 1.9417 0.9974 1.1982
deacetylcolchicine 1.1473 1.2020 1.0071 0.8516 1.1113 0.9805 0.9334 0.4538 0.8246 1.0633 1.3195 0.6051 0.9661 1.4728 0.5394 1.0196 1.1227 1.0324 1.2117
Deoxycytidine 1.2191 1.0418 0.8884 1.0715 0.6217 1.0349 1.1470 1.0866 1.0790 1.0454 0.9266 0.8088 0.8968 1.2615 0.9351 0.9048 0.9615 0.8758 1.1907
Deoxymannojirimycin 1.4928 1.0649 0.8572 1.0362 0.8307 0.8805 1.1424 1.0296 1.0508 1.0985 0.7930 0.7240 0.7468 1.1887 0.7894 0.9613 0.9488 0.9336 1.4365
Deoxyribose 1.4474 0.6034 0.9338 1.3559 0.7548 0.7296 0.8607 1.0020 0.9674 0.9622 0.7589 1.1908 1.0377 1.2502 1.0791 0.3172 0.3739 1.8551 1.3380
D-Erythrose 4-phosphate 2.0428 0.4277 0.5587 0.4465 0.8845 0.4844 0.5565 0.6391 0.5547 0.4590 1.2824 1.6608 1.7141 1.3003 2.4910 0.3615 0.4244 0.4165 1.1445
D-Fructose 0.1274 0.8870 1.2465 1.2257 0.7713 2.3038 1.5607 1.0637 0.9863 1.2108 1.9215 0.4782 2.0083 0.3797 0.5558 0.7111 0.8322 0.6648 0.1341
D-Fructose 1,6-bisphosphate 0.7774 0.7211 4.6496 0.4128 1.6362 0.3879 0.4541 1.7799 0.4769 0.3951 0.3718 0.3378 0.3324 0.6427 1.2878 2.0009 2.0467 1.1772 0.3568
D-Fructose 6-phosphate 0.8336 1.7829 1.2091 1.2694 0.9257 1.4152 1.1770 1.0214 0.7045 0.8420 0.7450 0.6641 0.8359 0.8576 1.0784 1.0273 1.1517 1.0253 0.4735
dGDP 0.7303 1.2339 1.4986 0.9943 1.4359 0.8558 1.0760 1.6891 0.9895 0.8979 0.3913 0.6287 0.8973 1.4724 1.1126 0.8469 0.8967 1.0407 0.5460
D-Gluconic acid 1.0901 1.0163 0.8535 1.0485 0.8173 0.8689 1.1067 1.1949 1.1454 1.2168 0.8287 0.9429 0.9697 1.0959 1.0739 0.9188 0.9318 0.8560 1.0798
D-Glucono-1,5-lactone 1.0054 1.1021 0.8696 0.8620 0.7911 0.7486 1.2414 1.4224 1.2054 1.1356 0.6119 0.9207 0.8822 1.1672 1.0103 1.1541 1.0249 1.0669 1.0583
D-Glucono-1,5-lactone 6-phosphate 0.6383 1.6072 0.5954 0.6400 0.9679 0.5612 1.6820 1.9867 0.6558 0.6507 0.4830 1.3633 0.9679 1.4440 1.1337 1.3347 1.2663 0.4626 0.7177
D-Glucose 0.0821 0.9862 0.8103 1.2651 0.9674 2.3831 1.6634 0.9614 1.1561 1.4918 2.3101 0.4611 1.2941 0.3797 0.6527 0.7078 0.8981 0.4346 0.1256
D-Glucose 6-phosphate 0.6299 1.5978 1.0774 1.1806 1.2372 1.4222 1.2478 1.1694 0.8160 0.8950 0.7625 0.5860 0.8391 1.0455 1.0998 0.8960 1.1465 1.0472 0.3779
D-Glucuronolactone 1.3291 0.5017 1.1161 1.3846 0.8167 0.9930 1.1294 1.1049 0.9478 1.2848 1.2164 1.0777 1.0878 1.0091 1.0499 0.4100 0.3872 1.1522 0.8848
D-Glutamate 1.1049 0.6714 0.7659 1.0823 0.8115 1.0184 0.8888 0.7979 0.9990 1.0261 1.2746 1.0860 1.2281 1.1452 1.2191 0.6556 0.6841 1.0664 1.1956
D-Glycerate 0.8716 0.7851 0.6905 1.2506 0.5667 1.0139 1.3459 1.3788 1.3935 1.3649 0.9475 1.1394 1.0327 0.7905 1.1647 0.7195 0.8309 0.8734 0.9893
dGMP 1.3195 0.8455 0.8373 1.2897 1.0026 0.5637 0.9350 1.1607 1.0823 1.0961 0.7159 1.0545 1.2154 1.1087 1.1542 0.8335 0.7733 0.9191 1.0023
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 0.9984 1.1786 1.3641 0.8139 0.8235 0.8692 0.9004 0.9645 1.0094 1.0810 0.7923 0.9485 0.9226 1.0952 0.7131 1.0172 1.4864 1.2533 1.0373
Dihydrobiopterin 0.3968 1.1135 1.1406 1.0916 0.9331 1.4416 1.4219 0.9809 1.0723 1.3048 1.5734 0.8815 1.3257 0.5949 0.9488 0.8145 1.0135 0.7416 0.3314
Dihydrogenphosphate 1.2193 1.1752 0.9864 0.9734 0.8918 0.5236 0.9929 1.0739 0.9295 0.9420 0.7039 1.0095 0.8845 1.3239 1.0501 1.0650 1.2175 1.0495 1.0523
di-n-Undecylamine 1.1275 NA NA NA 1.0291 0.3456 NA NA NA NA NA NA NA 1.4187 NA NA NA NA 1.0791
DL-Methionine sulfone 1.7613 0.8619 0.9009 1.1773 1.0413 0.8709 0.8775 0.7526 0.9037 0.9338 0.6732 0.5989 0.7062 1.8077 0.6459 0.7411 0.7708 0.9338 1.7448
D-Lysine 1.1070 0.7352 0.3906 0.3973 1.9966 0.3637 0.4659 0.6090 0.5137 0.4763 1.3358 1.7924 1.4979 1.4204 1.7210 0.8140 0.7952 0.5512 1.1708
D-Methionine 0.8867 0.7561 3.9736 0.6520 1.8603 0.7125 0.7441 0.6631 0.8972 0.7249 0.6178 0.9479 1.1124 0.8359 0.9583 0.6915 0.6209 0.8594 0.7790
D-myo-Inositol 1,2-cyclic phosphate 1.1971 0.9978 0.7511 0.8600 0.7724 0.7700 0.9714 1.0422 1.0021 1.0932 0.8615 1.1652 1.1169 1.2519 1.1840 0.9221 0.9191 0.8047 1.1938
Docosahexaenoicacid 0.7311 0.5155 0.5234 0.7936 1.0195 1.2977 0.7414 0.5779 0.8367 0.8501 1.9685 2.0171 1.1104 0.3904 1.4150 0.6330 0.6231 0.5684 1.7256
Docosanoic acid 0.9885 1.1202 1.2725 1.0419 1.2110 1.2004 0.9989 0.9393 0.7833 0.9811 0.8572 0.8644 0.7162 1.2035 0.8280 0.7328 0.8774 1.2201 1.1146
Dodecanoic acid 0.8029 1.2314 1.0716 0.4612 2.6323 0.9711 0.8218 0.5732 0.3490 0.5932 0.4180 0.5432 0.6637 2.2095 0.3022 1.0613 1.3370 0.5455 2.0003
D-Ribose 0.1904 1.0759 0.8280 1.2220 1.0001 2.0430 1.5181 0.9522 1.1416 1.4174 2.0735 0.5982 1.2951 0.4273 0.7559 0.7782 0.9663 0.5294 0.2203
D-Ribose 5-phosphate 1.8123 0.5422 0.5123 1.0114 0.9670 0.2940 0.5869 0.6221 0.7428 0.7744 1.0338 1.6710 1.1541 0.8040 1.2984 0.9167 0.8999 0.7901 2.0281
D-Sedoheptulose 1,7-bisphosphate 1.4885 0.9779 1.5772 0.8978 1.7633 0.6416 0.8855 1.4177 0.8407 0.6470 0.4056 0.5971 0.7731 1.6268 0.8990 0.6712 0.8937 1.4547 0.6386
D-Sedoheptulose 7-phosphate 1.6175 1.1984 1.0426 0.8402 1.4741 0.6740 0.8227 0.8383 0.6510 0.6507 0.7047 0.9699 0.7967 1.5143 0.9546 0.7576 0.8560 1.3659 1.0168
dTDP 1.2995 0.6076 0.8466 0.9946 0.7775 0.4130 0.6516 0.7582 0.8424 0.8966 1.2772 1.7410 1.5306 0.8603 1.5256 0.7269 0.6303 0.7512 1.3953
dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose 1.7305 1.1375 0.8387 1.1143 0.9632 0.6121 0.9141 0.8750 0.7753 1.0196 0.5374 0.8474 0.6616 1.2575 0.9293 1.1180 0.8676 0.8729 1.7483
dTMP 1.2490 0.4987 0.5560 0.6409 0.7775 0.4153 0.4898 0.7025 0.6549 0.7843 1.4405 2.2589 1.2709 0.6830 1.4384 0.9281 0.7974 0.6714 2.1388
dTTP 0.7974 1.0666 1.5631 0.8579 1.5248 0.8696 0.9178 1.2757 0.9459 0.8576 0.5270 0.8907 1.0714 1.4101 1.2919 0.7385 0.7881 0.9289 0.6809
dUMP 1.6042 1.2870 0.5792 0.8123 0.9082 0.3984 0.8968 1.0671 0.6785 0.7714 0.8579 1.0627 0.8931 1.3681 0.9385 1.3167 1.0077 0.7138 1.5963
D-Xylonate 0.5048 0.9304 0.8887 1.2536 0.9694 1.6859 1.3403 0.9812 1.0633 1.3037 1.6690 0.7814 1.2301 0.6288 0.8937 0.8143 0.8440 0.7094 0.4942
D-Xylonolactone 1.5598 1.2229 1.2221 0.7348 0.4469 0.4506 0.5757 0.7220 0.6660 0.8200 0.8600 1.4730 1.1087 1.3414 1.1942 0.9348 0.9486 1.4482 1.1046
D-Xylose 1.0153 0.8216 1.5978 1.1903 1.0574 0.7593 1.0375 1.1409 1.1117 1.1393 0.7364 0.9026 0.9248 0.9833 0.8950 0.7953 0.8506 1.2599 1.0143
(E)-3,7-Dimethylocta-1,6-diene-3,8-diol 0.9933 1.4742 1.2281 0.7908 0.8151 1.0555 1.3053 0.6280 1.0262 1.1433 0.6649 0.5580 0.8675 0.8704 0.6705 1.8312 1.0162 1.3035 1.1282
Epinephrinesulfate NA 0.7842 0.8941 1.2358 0.3808 1.7979 1.5971 0.8658 1.0927 1.1360 1.6934 0.6978 1.0137 NA 0.8024 0.4854 0.6762 0.7112 NA
Epsilon-(gamma-Glutamyl)-lysine 1.1261 0.9933 0.3685 1.1091 0.7304 0.7893 1.0937 1.5031 1.2016 1.0031 0.5887 1.2406 1.0428 1.0304 1.2063 1.0492 0.8123 1.0320 1.0955
Erythritol 0.5377 0.7913 0.7588 1.4283 0.8380 1.9597 1.4504 1.0063 1.1342 1.4020 1.9677 0.7070 1.3733 0.4265 0.9385 0.5906 0.6762 0.5189 0.3789
Ethanolamine phosphate 0.8095 0.7434 1.9701 1.1466 0.7614 1.0069 0.8904 0.8650 1.0965 1.3451 0.7136 1.0428 1.1399 0.5426 1.1569 0.8245 1.2190 1.3278 0.7829
ethyl-(2R)-methyl-(3S)-hydroxybutanoate 0.8400 0.8109 0.7062 0.7933 4.8545 0.6087 0.6061 0.3999 0.5744 0.5718 0.2484 0.3019 0.6359 1.3760 0.2117 1.7475 0.7285 0.5264 1.9232
Ethyl (R)-3-hydroxybutanoate 2.6558 0.4597 0.7160 1.2351 1.2185 0.6078 0.4127 0.3488 0.6715 0.6955 0.9390 1.0328 0.7092 0.6652 0.7012 0.3843 0.5118 1.5189 2.8311
Ethyl (R)-3-hydroxyhexanoate 1.0554 1.4187 1.0117 0.8049 1.4857 0.6387 0.7815 0.5988 0.8481 0.8167 0.8228 1.0609 1.3476 1.1977 0.6766 0.9693 1.6789 0.7881 0.8710
FA (13:2) tridecadienoic acid NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.2779 NA 0.1662 NA
FA (14:2) tetradecadienal 1.0269 1.3777 0.7638 0.8053 0.8874 1.0085 1.2178 0.9015 1.0170 1.2179 0.7133 0.3245 0.6197 1.3015 0.7421 1.7959 1.1904 1.1879 1.2240
FA(16:1) 0.7765 0.4131 0.3245 0.4950 0.7147 0.7266 0.4680 0.4134 0.6383 0.9198 2.1869 3.0411 1.4421 0.3336 2.2784 0.7179 0.4890 0.3619 1.3425
FA (16:2) 1.1124 1.2756 0.6639 0.9827 0.8348 0.8176 1.0822 0.9068 1.2919 1.0558 0.6669 0.2734 0.5854 1.3303 0.7695 1.8279 1.0810 1.3227 1.4272
FA (17:0) 0.7721 0.8805 0.7750 0.5867 1.2770 0.8482 0.7029 0.6439 0.7293 0.8155 1.3326 1.8558 1.0120 0.9074 1.4884 0.9867 1.0627 0.6297 1.2801
[FA (17:1)] 7-heptadecynoic acid 0.3953 0.1732 0.4730 0.3258 0.2084 0.3687 0.3561 0.3094 0.4223 0.3441 2.2083 3.5786 1.5278 NA 2.8817 0.2340 0.2878 0.1670 0.8593
[FA (18:1)] 9Z-octadecenamide NA 1.3403 0.6459 0.6696 0.6156 NA NA 0.8764 0.8015 0.5431 NA 0.5842 NA 0.9515 NA 0.9221 0.9634 2.2167 NA
[FA (18:1)] 9Z-octadecenoic acid 0.6697 0.7506 0.6051 0.5839 0.9777 1.1696 0.6553 0.6545 0.7364 0.7822 1.7304 2.2188 1.1149 0.6231 1.8585 0.8835 0.8118 0.4958 1.0843
[FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acid 0.6033 0.5351 0.6430 0.4541 1.0798 1.3606 0.5147 0.7202 0.4108 0.5917 1.7120 2.6067 1.2279 0.7431 2.0513 0.5651 0.6780 0.3896 1.2416
FA (20:0) 0.9258 1.1584 1.1566 0.7975 1.7292 1.2143 0.8711 0.8733 0.6213 0.8333 0.5921 0.6320 0.6299 1.4458 0.5977 1.0615 1.2893 1.0588 1.4535
[FA (20:1)] 11Z-eicosenoic acid 0.9198 0.8018 0.9117 0.7368 1.2470 1.0158 0.6817 0.8789 0.7991 0.7726 1.3896 1.6388 0.9375 0.5796 1.6490 0.9351 0.8028 0.8795 1.0884
FA (22:0) 0.7991 0.9825 0.7120 0.6349 0.6333 1.6360 0.9674 0.8720 1.1016 0.8382 2.0138 0.9976 1.6910 0.8291 1.0359 0.5726 0.9206 0.6645 0.7601
[FA (22:1)] 13Z-docosenoic acid 1.0711 1.7475 1.1111 0.7622 1.1041 0.8120 0.8486 0.9005 0.9818 0.8765 0.9401 1.0833 0.7164 1.0985 0.7540 1.4349 0.9404 1.0574 0.7973
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid 0.8406 0.5066 0.6547 0.7107 1.0322 0.8224 0.5710 0.5473 0.7145 0.6798 1.7098 2.5484 1.2270 0.4654 2.0750 0.5605 0.5394 0.6514 1.3731
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 0.7064 0.5534 0.5746 0.6567 1.0589 1.0091 0.6459 0.5488 0.6860 0.6935 1.8354 2.4681 1.0616 0.4589 1.9291 0.6435 0.5810 0.5639 1.5595
[FA (24:0)] 15Z-tetracosenoic acid 1.0793 0.8598 1.4291 1.1152 1.2426 1.0273 1.0234 0.9173 0.7752 0.8826 0.8412 0.8763 0.8959 1.0761 0.9293 0.6922 0.7099 1.4800 1.1248
[FA (6:0)] hexanal 1.0281 1.3232 1.0254 1.0823 0.8001 0.9425 0.9670 1.0156 1.0678 1.4521 0.7321 0.7210 0.6370 1.3651 0.7494 0.8622 1.7051 0.8522 0.9085
[FA (7:0/2:0)] Heptanedioic acid 1.0195 1.5890 1.1745 0.7448 1.2587 0.7183 0.9821 0.8434 0.8119 0.9612 0.6906 1.0543 0.8960 1.2097 0.8779 0.9691 1.5594 0.7376 0.9118
FA (8:0) octanoic acid 0.9795 1.2361 1.0747 0.8460 0.9419 0.9126 0.9467 0.9488 1.0338 1.0519 0.8231 0.8918 0.8945 1.0175 0.8487 1.5615 1.3088 0.9185 0.9747
FA (8:1) octenal 1.2300 1.1529 0.7981 1.0484 0.6875 0.9028 0.9563 1.0679 1.1967 1.1665 0.7178 0.3018 0.6070 1.3545 0.8467 1.4981 1.1647 1.2929 1.2947
[FA amino(4:0)] 2R-amino-butanoic acid 0.8724 1.4506 1.0280 0.7490 0.8641 0.7709 1.1033 0.8420 1.0693 0.9472 0.9641 0.9276 0.9558 0.9443 0.7356 1.3470 1.3213 1.3425 1.0149
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid 0.4472 0.6802 0.5100 0.3814 0.5496 1.0155 0.6707 0.4082 0.7628 1.8880 0.9628 3.1584 0.8220 0.4827 1.0534 2.3012 0.6139 0.6455 0.8988
FA dimethyl(20:3) 1.0218 0.5217 0.6373 0.8306 1.5352 1.0061 0.3431 0.6702 0.9657 0.8401 1.4942 1.9822 1.2304 0.5376 1.5664 0.3952 0.5673 0.7864 1.2504
Fagomine 1.8674 0.8229 0.8920 1.1460 0.8889 0.6217 0.9361 0.8456 0.9945 0.9702 0.7258 0.7107 0.6409 1.6629 0.7077 0.7785 0.7875 1.0234 1.7843
FA hydroxy(10:0) 0.9656 1.3915 1.1607 0.9349 0.8864 0.9463 1.1310 0.9393 1.1136 1.1300 0.6140 0.6580 0.6798 1.2122 0.7223 1.4230 1.4838 1.0600 0.9078
FA hydroxy(18:0) 0.9258 1.1915 0.9312 0.7005 1.1890 1.0683 0.8998 0.9039 0.7051 0.9377 0.7256 0.7929 0.7881 1.0473 0.7247 2.5536 1.2047 0.8895 1.0772
FA hydroxy(18:1)] 1.2179 0.6709 0.4688 1.1351 0.5941 0.5645 0.4166 1.7330 1.4872 0.9522 1.0478 0.2508 0.4207 1.8637 1.3777 0.7666 1.3817 0.8024 1.1993
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone 1.0877 0.9693 1.4474 1.1442 0.7646 1.5606 0.5782 0.5151 0.6757 0.8844 0.7069 0.5432 0.5251 0.6969 0.6739 1.1970 0.5419 3.9418 0.9914
FA hydroxy(6:0) 2.6887 0.4282 0.5577 1.0251 1.8216 0.4963 0.4676 0.2642 0.5763 0.5284 0.4485 0.6844 0.4858 0.8238 0.6461 0.5825 0.5521 1.5889 3.6132
FA hydroxy(8:0) hydroxy-octanoic acid 0.7058 1.0421 0.7943 0.6207 3.0711 0.8333 0.7633 0.7395 0.6757 0.7762 0.8646 0.8947 0.8590 0.9993 0.7821 1.0292 0.9287 0.8122 1.4381
FA methyl(12:0) dodecanoic acid 0.7505 1.0587 0.9200 0.6800 0.9577 1.0985 1.0304 0.8397 0.8649 1.3295 0.8560 1.3625 0.8590 0.9069 0.8183 1.9979 1.1283 0.8241 0.9509
FA methyl(14:0) 0.7456 0.9119 0.6485 0.5409 1.0655 0.8432 0.6191 0.6108 0.7537 0.9987 1.2416 2.2734 1.0675 0.7082 1.4611 1.2856 0.9530 0.6165 1.2765
FA methyl(15:0) tridecanedioic acid 1.2072 0.0897 0.7482 1.1903 0.2276 0.2635 0.1392 2.0740 2.5997 0.8799 1.0269 0.0247 0.1554 2.1306 1.6345 0.2324 2.2649 0.5366 1.0556
FA methyl(16:1) 0.6818 0.5822 0.4288 0.5147 0.7793 0.8048 0.5571 0.5226 0.7455 1.0264 1.9920 2.9859 1.3306 0.3466 2.0522 0.7597 0.6528 0.4107 1.1023
FA methyl(18:0) 0.8312 0.9855 1.0899 0.8903 1.3770 1.1230 0.7540 0.8328 0.8621 0.8284 0.8908 1.2909 0.7616 0.8657 1.1537 0.9449 1.0292 1.0877 1.2584
FA methyl(6:0) 0.9004 1.2549 1.0549 0.8408 0.9687 0.9845 0.9797 0.9160 0.9994 1.0733 0.8650 0.7768 0.8376 1.0794 0.7475 1.6598 1.3466 1.0241 0.9540
FA methyl(8:0) 0.6386 0.9037 0.6689 0.5631 0.6488 0.7195 0.7127 0.6293 0.7482 0.6764 0.7519 0.6663 0.7006 0.7155 0.6070 7.1546 0.8822 1.0133 0.7209
FA oxo(16:0) 0.8825 1.0174 0.8451 0.7377 1.0224 1.2653 0.9195 0.8186 0.8966 1.0888 1.1645 0.8828 0.9718 1.1406 1.0462 1.2034 1.2108 0.7558 1.0646
FA oxo(18:0) 0.8633 1.0583 0.8728 0.6575 1.2313 1.0654 0.9886 0.8308 0.7936 0.9303 1.0124 0.7631 0.9113 1.1223 0.8592 2.0954 1.2019 0.6632 1.1733
[FA oxo(5:0)] 3-oxo-4-pentenoic acid 0.4299 0.8828 0.9277 1.4103 0.9081 1.9716 1.4956 0.9634 1.1698 1.4914 1.8553 0.6712 1.2299 0.5030 0.8136 0.6638 0.7427 0.6019 0.2821
[FA oxo(6:0)] 2-oxo-hexanoic acid 0.8064 0.8747 0.9064 1.4406 0.7449 1.6449 1.3222 0.8500 1.0495 1.3079 1.7479 0.7392 1.2269 0.6409 0.8279 0.6592 0.7784 0.7547 0.5846
FA oxo(7:0) 0.9051 1.3535 1.0334 0.7906 1.0334 0.7286 0.9800 0.7167 0.8794 1.1724 0.7601 1.0788 0.9776 1.2466 0.8028 1.1033 1.5770 0.9023 1.0494
FA oxo(8:0) oxo-octanoic acid 1.0054 1.0589 0.9866 0.8165 1.5556 0.7930 0.9071 0.6750 1.0401 1.0036 0.9754 0.9079 1.1414 1.0524 0.7627 1.1363 1.3023 0.8607 0.9970
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acid 1.1407 0.7434 1.0944 1.8272 0.7452 1.5949 1.2571 0.8565 1.1869 1.3692 1.3178 0.6316 0.8576 0.7736 0.5928 0.5562 0.7579 0.9747 0.7354
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 0.4745 0.8841 0.8507 1.3727 0.8837 1.8009 1.3123 0.9908 1.0865 1.3030 1.9804 0.7948 1.3095 0.6019 0.9801 0.5611 0.6512 0.6152 0.3894
[FA trihydroxy(6:0)] 3,4,5-trihydroxy-hexanoic acid 0.7943 0.7140 0.8733 0.4343 4.3439 0.5601 0.5728 0.4376 0.5471 0.6718 0.7886 0.7729 0.9273 1.6502 0.5859 0.7417 0.9319 0.4493 1.2255
FMN 1.2510 0.9267 0.8229 1.0406 0.9735 0.8349 0.8702 0.9436 0.9251 1.0127 0.8091 1.0710 1.0450 1.2345 1.1209 0.8418 0.8281 0.9881 1.2684
Folate 1.1207 0.9446 0.7887 1.1191 1.5437 1.1704 0.9866 0.7886 1.2504 1.1775 1.0006 0.7535 0.9294 0.8103 0.7798 0.9348 0.9163 1.0006 0.9451
Furfural 1.3435 0.8048 0.6548 0.8950 0.7848 0.3837 0.7871 0.7329 0.8850 0.9096 1.0741 1.4816 1.1136 0.8034 1.0184 1.3702 1.3263 0.8543 1.6570
gamma-L-Glutamyl-L-cysteine 0.9095 0.6195 2.6700 0.8827 1.1742 0.5569 0.7040 1.0268 0.9757 0.8149 0.6387 1.4502 1.3403 0.9032 1.5186 0.6866 0.5083 0.7663 0.8918
GDP 1.1297 0.9267 1.1210 1.1403 0.9192 0.6421 0.9334 1.2743 1.1822 1.0238 0.7180 0.9715 1.0911 1.2563 0.9350 0.9341 0.8398 0.9157 1.1021
GDP-mannose 0.8324 0.5862 1.7018 1.2744 1.3934 0.8878 1.0881 1.2691 1.0160 1.1599 0.8775 0.8987 1.1317 0.6956 1.2771 0.6607 0.7249 0.7087 0.8984
Gln-Leu-Lys-Tyr 0.8875 1.3022 1.2235 0.5922 0.7930 0.9317 0.9641 0.8322 0.9873 1.0788 0.9840 0.9483 0.9533 1.0722 0.6872 1.2382 1.3701 1.4161 1.0158
Gln-Met-Met-Thr NA 0.8728 0.8489 1.0439 1.0070 2.0459 1.3872 0.6649 0.9015 1.2036 1.7076 0.2173 1.0290 0.6402 0.4940 0.6468 0.7454 0.2266 NA
Glucosylgalactosylhydroxylysine 1.1325 1.2709 1.1010 1.2092 1.2329 0.9396 0.8658 0.6388 0.6764 0.7233 1.1793 1.1737 1.2213 0.7141 0.6721 1.1571 1.1323 1.0624 0.7329
Glu-Glu 1.0264 1.0477 2.0500 1.0314 0.8429 0.7475 1.0455 1.6102 1.0319 0.9309 0.6679 0.9264 0.9361 1.0258 1.1150 0.7888 0.7163 0.7809 0.9171
Glu-Glu-Glu 1.0365 0.9692 1.6066 1.3508 1.1557 0.6742 0.9693 1.2439 1.1225 0.8486 0.6295 0.9190 0.8632 1.1184 1.0905 0.7017 0.7113 1.1078 0.9593
Glu-Glu-Glu-Glu 0.4364 1.7161 1.3884 0.4665 0.4527 0.4649 1.1163 1.4294 0.8924 0.9369 0.5305 1.1337 0.6663 0.7380 0.8398 1.9311 2.0174 1.4542 0.5517
Glu-Ser-Thr NA 0.8460 0.9788 1.2886 1.7879 1.9679 1.1483 0.5426 1.1223 1.2658 1.7218 0.4743 0.9013 0.5968 0.5575 0.5457 0.7781 0.7181 0.3777
Glutathione 0.7024 0.5968 1.6023 0.9053 0.9133 0.6104 1.0868 1.7133 1.1440 1.1806 0.3776 1.5920 1.2443 0.5644 1.5179 1.2265 1.0327 0.5875 0.7954
Glutathione disulfide 0.3788 0.6215 1.7724 1.3639 0.5715 1.6976 0.6571 1.4413 0.8739 0.8843 1.8552 1.0909 1.6124 0.4731 1.1819 0.5987 0.5703 0.4392 0.4285
Glycerol 0.9394 0.5248 0.8158 1.8786 0.5955 2.5905 1.7155 1.0157 1.3696 1.6989 1.9433 0.5858 0.9916 0.1805 0.6307 0.2711 0.3955 0.6293 0.2055
Glycerone phosphate 1.2055 1.0316 1.4555 0.9291 1.4131 0.7458 0.9189 1.1121 0.8471 0.8013 0.6150 0.5011 0.6073 0.9634 0.9883 1.2331 1.4920 1.3781 1.0713
Glycerophosphoglycerol 1.1393 0.8542 0.9068 1.2650 0.7386 0.7286 0.8109 0.9566 0.9067 0.9166 0.9225 1.2736 1.1675 1.1468 1.3518 0.6181 0.6627 1.2961 1.1065
GMP 1.4385 0.6045 0.7203 1.1053 0.6347 0.4131 0.7968 0.7648 0.9123 0.9626 1.1860 1.9417 1.2853 0.8078 1.5848 0.9431 0.5781 0.6049 1.2863
GTP 0.7954 0.9643 1.6813 1.0177 1.1873 0.8919 1.0996 1.8046 1.2362 0.9078 0.5138 0.6944 0.9474 1.2757 1.0694 0.8307 0.8178 0.7725 0.7800
Guanine 0.7488 0.1102 0.6265 1.1753 1.1253 0.2469 0.5337 0.6385 1.1441 0.9886 1.9911 1.8769 1.5465 0.2625 1.7383 0.7856 0.8063 0.2064 1.8809
Guanosine 1.3033 0.5599 1.1663 1.1759 1.7611 1.0316 0.6363 0.9083 1.8928 0.6422 0.5601 0.8006 1.0101 1.0563 0.9990 0.6058 0.5066 1.0847 1.1598
HEPES 0.2995 0.8630 0.9549 1.2682 0.8229 1.7725 1.4889 0.9771 1.1395 1.4057 2.0057 0.8484 1.4280 0.4878 0.9287 0.6507 0.7948 0.6173 0.2536
Hexadecanal 1.0926 1.4599 1.2999 1.1897 0.6461 0.8780 0.8759 0.8719 0.8461 0.9552 0.8628 0.8259 0.8128 1.0920 0.7554 1.1781 1.0547 1.4206 1.0081
Hexadecanoic acid 0.7873 0.9478 0.8029 0.5673 1.4897 1.2064 0.7267 0.7672 0.6725 0.7137 1.1059 1.3219 0.9307 1.1680 1.1047 1.0187 1.3381 0.5962 1.3932
Homoarginine 0.9764 0.8545 0.5312 0.9543 0.6320 0.8067 0.8768 1.8431 0.9211 0.8446 1.3065 1.3746 1.2455 0.6733 1.4325 0.9500 0.8485 0.8745 0.9764
Homostachydrine 1.3040 0.9844 0.6539 1.2425 1.0303 1.1284 0.9700 1.0398 0.8388 0.8219 1.1289 0.8822 0.8395 1.3153 0.8533 0.7309 0.8502 0.8337 1.2368
Hydantoin 0.9150 1.2194 0.9766 0.8168 0.7860 0.9091 1.0422 0.8379 0.9801 1.3650 1.0452 0.9269 0.9838 1.1078 0.8876 0.9322 1.3477 1.2784 0.8323
Hydantoin-5-propionate 2.2443 0.2991 0.2569 0.3215 1.0931 0.2280 0.2474 0.1214 0.2533 0.3053 1.9111 1.1430 1.7094 2.4592 1.5312 0.4060 0.4133 0.1538 2.0448
Hydroxyacetone phosphate 1.0737 1.1444 0.9149 1.1706 1.1406 0.7421 0.8670 0.9948 0.9799 1.0201 0.7291 0.9296 0.8916 1.1381 1.0313 0.9494 1.0272 1.1311 1.0955
Hydroxymethylphosphonate NA NA 0.1443 NA NA NA NA NA NA NA 0.6218 2.7568 0.5192 NA 1.4172 NA NA NA 0.1129
Hypotaurine 1.2983 1.2248 0.6331 0.7850 0.9772 0.9399 1.0431 1.0768 1.0687 0.9869 0.6487 0.6346 0.6392 1.3783 0.7608 1.3001 1.2610 1.0539 1.3954
Hypoxanthine 0.1154 0.2306 0.3176 0.3225 0.6275 0.5161 0.3877 0.2321 0.3185 0.3640 5.2541 1.8829 3.4528 0.2000 2.0217 0.2366 0.3417 0.1269 0.6325
Icosadienoic acid 0.8553 0.6847 0.6360 0.7200 1.1197 1.0996 0.6125 0.7147 0.7768 0.8860 1.6130 2.1570 1.1135 0.6056 1.7043 0.8451 0.6558 0.6430 0.9999
Icosatrienoic acid 0.6472 0.4897 0.5610 0.6721 0.9337 1.0900 0.6699 0.5593 0.7463 0.7140 1.9833 2.5990 1.3146 0.3563 2.2058 0.5455 0.6103 0.5464 0.9939
Ile-Lys 0.3313 0.3945 0.9927 0.6849 0.7251 1.5663 0.6299 0.5727 0.5532 0.5245 2.7402 0.9340 2.2503 0.7003 0.9783 NA 0.3211 0.6401 0.7110
Ile-Phe-Pro-Pro 0.9720 1.0081 0.8256 0.9119 0.7639 1.0916 0.8408 1.2406 1.1220 1.0367 0.9545 0.9644 1.2556 1.2561 1.0764 0.8972 1.0468 0.7489 0.9265
Ile-Ser-Val NA 1.1591 2.7665 0.9769 NA NA NA 0.2246 0.3191 0.3734 NA NA NA NA NA 0.5257 0.6889 0.9991 NA
Imidazol-5-yl-pyruvate 1.7619 0.6896 1.0301 1.6338 0.7280 0.7751 0.9161 0.6939 1.0091 1.0542 0.8789 1.2098 0.9678 0.8732 0.9343 0.6088 0.6100 1.1129 1.2713
IMP 1.9236 0.3776 1.4746 0.4943 1.1635 0.2993 0.3613 0.5779 0.5994 0.5592 0.6742 1.2002 0.9578 0.5293 1.1683 0.8530 0.7643 0.9493 3.6075
Indolelactate 0.5997 0.3447 0.3543 0.5342 0.7539 0.6743 0.4824 0.3915 0.5461 0.5268 2.8948 2.7500 2.5399 0.2689 2.4212 0.3815 0.4524 0.3415 0.6110
Indolepyruvate 0.3476 0.3904 0.3854 0.6301 0.9054 0.8238 0.6664 0.4960 0.5542 0.6443 3.5628 1.9783 2.7153 0.4396 2.0820 0.3491 0.4300 0.2680 0.2795
Kievitone hydrate NA NA NA NA 0.3779 0.2297 0.1620 NA NA NA 2.1113 0.6918 1.4229 NA 1.0540 NA NA NA 0.2936
L-1-Pyrroline-3-hydroxy-5-carboxylate 0.3874 0.8434 0.9082 1.2829 0.4832 1.6651 1.4005 0.9380 1.1190 1.4244 2.1597 0.9236 1.5240 0.3961 1.0062 0.5996 0.8020 0.7705 0.3567
L-2-Amino-6-oxoheptanedioate 1.5062 0.4365 0.3461 0.3151 0.8961 0.2514 0.4026 0.3709 0.3963 0.3766 1.3822 2.1482 1.6181 1.9514 2.3393 0.5062 0.5705 0.3708 1.6502
L-2-Aminoadipate 0.2937 0.7815 0.9830 0.9442 0.6345 2.2943 2.1997 0.7800 0.8273 1.5436 2.3587 0.5256 1.0144 0.5471 0.6731 0.7088 1.2068 0.6573 0.2530
L-3-Amino-isobutanoate 1.3406 1.2754 0.9026 0.9178 0.8101 0.7965 0.9269 0.9166 1.1721 1.0676 0.6864 0.8419 0.7682 1.1438 0.7292 1.1823 1.1553 1.3030 1.2203
Lacto-N-tetraose 1.2884 0.8097 0.8447 1.0288 1.5059 0.7220 0.7135 0.8389 1.0154 0.7588 0.7607 1.1347 1.0617 1.2700 1.3033 0.7012 0.6546 0.9775 1.2363
L-Alanine 1.2032 1.0341 1.0999 0.9224 0.9122 0.8310 1.0558 0.9648 0.9661 0.9710 0.7716 0.9419 0.9129 1.2479 0.9080 0.9337 1.0465 1.1227 1.1946
L-Arginine 1.0473 1.0387 1.1080 0.9286 1.0603 0.7117 0.8817 1.0624 1.0159 1.0899 0.6127 0.9806 1.0792 1.1123 1.0805 1.2754 1.0354 0.9023 1.0700
L-Arginine phosphate 0.7391 2.0072 1.8106 0.7045 1.1907 0.9918 0.9086 1.4929 0.6966 0.8240 0.4419 0.5936 0.6369 1.4473 1.0158 1.3234 1.1113 0.9166 0.4182
L-Asparagine 1.0192 0.9846 1.5039 0.9578 0.8761 0.7548 1.1199 1.2384 1.0220 1.0019 0.6520 0.9189 0.9731 1.0243 0.9615 0.9895 1.0717 1.2004 1.0169
L-Aspartate 0.5906 1.3042 1.6918 1.0410 1.4935 1.1749 1.3265 0.9653 0.8286 0.9240 0.6762 0.3954 0.7049 1.3764 0.6019 1.2344 1.2793 0.6152 0.9922
L-Carnitine 1.5407 0.9370 0.7357 1.2259 0.8077 0.7127 0.9289 1.1096 1.0817 1.1469 0.6096 0.7147 0.7290 1.4925 0.7617 1.0433 0.9695 0.8921 1.5378
L-Citrulline 1.4303 0.9939 0.9118 1.2679 0.7654 0.9612 1.2189 1.0492 1.0335 1.0225 0.9072 0.6347 0.7585 1.2719 0.7957 0.9032 0.8517 0.8765 1.3128
L-Cystathionine 1.2633 1.0107 0.8309 0.9469 0.7964 0.7112 1.0518 1.1801 1.0480 1.0713 0.7176 0.9528 0.9056 1.4085 1.1573 0.9476 0.8253 0.8448 1.2796
L-Cysteine 0.5284 1.0018 0.7045 0.9949 0.3696 2.3665 1.8027 0.6987 1.0791 1.2885 2.8571 0.3673 0.7779 0.5651 0.4912 1.0440 0.9826 0.5677 0.5542
L-Cystine 0.1675 1.0988 0.6559 0.9610 0.3975 2.6004 2.0427 0.7691 1.2419 1.4831 2.8930 0.4102 0.8179 0.2404 0.4511 1.2506 1.0106 0.5162 0.2347
L-Fuculose 1-phosphate 0.4152 0.2951 0.8609 0.6942 0.7072 0.2738 0.7615 0.6347 0.5182 0.5633 2.1826 2.8369 1.7233 0.3592 3.3225 0.2561 0.3793 0.1731 0.5204
L-Glutamate 0.6823 1.6284 1.2309 0.7939 0.3822 0.8090 1.1900 1.2923 0.9592 1.0742 0.7755 0.9081 1.0821 1.0147 0.9551 1.6780 1.7889 0.5649 0.6350
L-Glutamate 5-semialdehyde 1.0956 1.1496 1.2559 1.0396 0.5968 0.8843 1.0290 1.1366 1.1818 1.1665 0.7599 0.7735 0.8849 1.0638 0.7290 1.1700 1.2656 1.0265 1.0990
L-Glutamine 1.8187 0.9106 0.7500 1.0291 1.1172 0.8437 0.8130 0.5829 0.7715 0.8196 1.0209 0.5208 0.7731 1.7470 0.8074 0.7847 0.7841 0.8662 1.7823
L-Glycericacid 0.6243 1.4787 1.1915 1.0571 0.7997 0.8572 1.2172 1.5227 0.8518 0.8493 0.7322 0.9145 0.8410 1.2364 1.4206 0.8336 0.8850 1.1915 0.6312
L-Histidine 1.3050 1.1792 1.3196 0.7861 0.7617 0.9924 1.0190 0.7586 0.9553 1.0833 0.8114 0.6633 0.8207 1.3909 0.6331 1.0604 1.2528 0.9570 1.3516
L-Homocitrulline 1.6022 0.9998 0.8387 1.1063 0.8871 0.8625 1.0487 0.9370 0.9566 1.0207 0.7108 0.6317 0.6793 1.4781 0.7338 0.7977 0.9051 1.0297 1.6578
Linoleate 0.4407 0.3550 0.5898 0.4133 0.4329 0.6288 0.4663 0.4897 0.4459 0.4075 2.3510 3.8400 1.4860 0.3653 3.1380 0.3519 0.4332 0.3674 0.8852
L-Isoleucine 1.4134 0.8639 0.8545 1.1535 1.7318 1.2240 1.1344 0.8222 1.1928 0.9770 1.1733 0.5095 0.9073 0.6579 0.6530 0.7280 0.8337 0.7983 1.2067
L-Leucine 1.7565 0.9031 0.9843 1.0805 1.5568 1.0760 0.9796 0.7095 1.0764 0.8678 0.7020 0.4558 0.8692 0.7868 0.6141 0.9068 1.0332 0.9332 1.5812
L-Lysine 1.0047 0.7278 1.6516 1.3854 1.2409 1.4313 1.0442 0.8465 1.1337 0.9577 1.1587 0.6826 0.9708 0.8134 0.8069 0.5857 0.6121 1.1529 0.7892
L-Lyxonate 0.4950 1.0271 0.9752 1.2436 0.8764 1.6346 1.3106 0.9476 1.0741 1.3117 1.6235 0.8190 1.2014 0.6002 0.8862 0.7585 0.9054 0.8036 0.5281
L-Methionine 1.9376 0.9227 0.8856 1.3788 1.4490 1.1003 1.0284 0.6720 1.0494 0.9283 0.7242 0.3277 0.5717 0.9666 0.4536 0.8227 0.9181 1.0630 1.6421
L-Ornithine 1.0510 0.8351 1.8850 1.1083 1.9398 0.6934 1.0476 1.2402 0.8105 0.7554 0.5398 0.5397 0.6062 1.4478 0.5916 0.8207 0.8567 0.8014 1.4843
L-Phenylalanine 0.6059 0.5209 0.5471 0.3832 0.9290 0.8568 0.4969 0.2910 0.7365 0.7550 3.7216 1.4293 2.6080 0.0684 1.7978 0.6306 0.8936 0.3131 0.5812
L-Pipecolate 1.3365 1.0158 0.9284 1.3234 1.0109 0.8089 1.0757 1.2644 1.0298 0.9145 0.5864 0.6522 0.6865 1.3577 0.6891 0.7708 0.8887 1.2491 1.4417
L-Proline 1.2959 1.5619 1.1864 1.1361 0.6754 0.8065 1.0728 1.0262 0.9120 1.0801 0.5305 0.5761 0.6619 1.2994 0.7507 1.1379 1.1621 1.0394 1.2430
L-Serine 1.1165 1.2243 1.2117 0.9790 0.8383 0.8204 1.1856 1.0779 1.1333 1.0371 0.6446 0.8131 0.8114 0.9984 0.7362 1.1883 1.3405 1.0748 1.0809
L-Threonine 1.3220 1.2057 1.0097 1.0766 0.8269 0.8492 0.9422 1.1056 1.1787 1.0080 0.6594 0.7558 0.7233 1.2183 0.8223 1.0008 1.1343 1.0561 1.2141
L-Tryptophan 0.3551 0.2792 0.2351 0.2643 0.5256 0.3583 0.3344 0.2493 0.3819 0.3138 4.6935 1.8590 3.6598 0.2052 2.6412 0.3188 0.3596 0.2054 0.3602
L-Tyrosine 0.4498 0.4989 0.6270 0.6175 0.8225 1.6058 0.7982 0.5334 0.8310 0.7580 3.3504 1.1445 2.5271 0.2322 1.5564 0.5169 0.6002 0.4084 0.3900
L-Valine 1.5393 0.8551 0.9554 1.2037 1.5398 1.1933 1.0934 0.8682 1.0102 0.9423 0.8917 0.5504 0.8498 0.8322 0.5963 0.7624 0.9198 0.9762 1.3025
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 0.6523 1.2400 0.8422 0.8065 0.6608 0.8813 0.7723 0.7753 0.9560 0.7353 1.5147 1.9301 1.0703 0.6027 1.8148 1.1869 1.2772 0.6541 0.4272
LysoPC(16:0) 0.4899 2.6031 1.0059 0.9974 0.5874 1.3874 0.8607 0.7014 0.8718 0.6880 0.6073 0.6340 0.4928 0.4296 0.6492 2.7629 2.1519 1.1820 0.4534
LysoPC(16:1(9Z)) 0.5338 0.6826 0.5911 0.5801 0.4529 0.6385 0.6313 0.4727 0.5629 0.5699 1.8770 3.3406 1.4887 0.4666 3.1965 0.5099 0.4888 0.4482 0.5366
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 0.8445 2.0097 1.1609 1.2198 0.9600 1.0351 0.7664 0.8436 0.7727 0.9208 0.4905 0.6746 0.5944 0.5314 0.6047 2.1929 1.6292 1.4000 0.7706
LysoPC(18:0) 0.5783 2.6288 1.2196 1.0915 0.6660 1.4434 0.7336 0.6904 0.7861 0.5989 0.4395 0.4073 0.3949 0.3764 0.4293 2.6941 2.6582 1.4350 0.4326
LysoPC(18:1) 0.5194 0.8731 0.5741 0.6778 0.5284 0.8543 0.5522 0.4998 0.6829 0.4939 2.0870 3.0266 1.2213 0.3884 2.5758 0.8369 0.7967 0.6187 0.4565
LysoPC(20:2) 0.3431 0.5545 0.6165 0.5782 0.4862 0.6982 0.5621 0.5160 0.5724 0.3765 2.1083 3.5177 1.6410 0.2299 3.3032 0.2647 0.4240 0.5130 0.2708
LysoPC(20:3) 0.4564 0.4395 0.6631 0.5385 0.4003 0.6816 0.5778 0.5455 0.6074 0.4294 2.2752 3.6001 1.4928 0.3629 3.1966 0.3740 0.5073 0.4548 0.4366
LysoPC(22:4(7Z,10Z,13Z,16Z)) 0.3621 0.3626 0.6455 0.5853 0.3682 0.6329 0.5334 0.5170 0.6066 0.4203 2.2226 3.6952 1.6087 0.2793 3.6368 0.2380 0.3267 0.5389 0.3765
LysoPC(22:5) 0.3668 0.3565 0.5457 0.4681 0.3473 0.5374 0.4683 0.4640 0.4867 0.3617 2.3831 3.8644 1.7967 0.2661 3.7802 0.2360 0.3273 0.3856 0.3768
LysoPC(O-16:1) 1.3713 1.0703 0.9590 1.5181 0.9958 0.8456 0.8453 1.0055 0.8605 0.8683 0.7783 0.7709 0.6212 1.2282 0.7242 1.1218 0.8799 1.3245 1.1777
LysoPC(O-18:2) 1.3298 0.9195 0.9756 1.1880 1.5174 0.8306 0.8281 0.8524 0.8504 0.6715 1.0057 0.9930 0.8403 0.9620 0.8786 0.8367 0.7254 1.4586 1.1360
LysoPE(16:0) 0.3752 0.6625 0.4041 0.5746 0.3966 0.5772 0.5252 0.5638 0.5417 0.4820 2.2231 4.2814 1.2768 0.4342 2.8677 0.5208 0.4849 0.4334 0.3637
LysoPE(16:1) NA NA NA NA NA NA NA NA NA NA 0.6818 1.6896 0.3780 NA 1.2506 NA NA NA NA
LysoPE(18:0) 0.5460 1.8339 0.8815 0.8063 0.6745 1.0670 0.8050 0.6332 0.7467 0.6553 1.1421 1.8570 0.7916 0.5875 1.4058 1.6354 1.3587 0.9185 0.5628
LysoPE(18:1) 1.2730 0.8434 0.7878 1.2629 1.1810 0.6132 0.7555 0.9347 0.4789 0.8396 0.8795 1.0583 1.0520 1.3897 1.0556 0.6378 0.5747 1.6741 1.3791
LysoPE(18:2) 0.6468 0.5664 0.5815 0.8274 0.7449 0.8412 0.6844 0.7555 0.8613 0.7436 2.0054 2.6959 1.1338 0.5097 2.3282 0.4785 0.6055 0.8118 0.5586
LysoPE(20:0) 0.5504 2.2087 1.0216 1.0246 0.5956 1.3558 0.8766 0.6303 0.9372 0.6248 0.7462 0.6424 0.5414 0.4742 0.6778 2.9293 2.0801 1.1963 0.4608
LysoPE(20:1) 0.5629 0.6425 0.6226 0.6786 0.4126 0.7202 0.6044 0.5653 0.6451 0.5513 2.4067 2.5681 1.5358 0.3893 3.1584 0.4968 0.5619 0.5576 0.4711
LysoPE(20:2) 0.2654 0.3299 0.4918 0.4725 0.2710 0.5717 0.7032 0.4805 0.5213 0.4989 2.5853 3.9180 1.5323 0.2714 3.5704 0.2001 0.3074 0.3596 0.3725
LysoPE(22:0) 0.6325 2.2424 1.2982 1.0362 0.8055 1.2691 0.8605 0.6817 0.7861 0.6202 0.3994 0.3319 0.4486 0.3441 0.4191 2.3764 1.8286 1.3810 0.7444
Lys-Ser-Tyr NA 1.5892 3.0515 0.8365 0.1308 NA 0.1695 0.1548 0.1315 0.2326 NA NA NA NA NA 0.9837 0.9080 1.5451 NA
Mannitol 0.6236 1.0001 0.9136 1.3712 0.9925 1.7425 1.3444 0.8956 1.1253 1.3592 1.7515 0.6691 1.2443 0.4597 0.8581 0.6224 0.9047 0.7152 0.3772
Margaroyl-EA NA 1.1684 0.9487 0.5510 NA 1.1928 1.2114 0.8571 1.0784 1.0432 NA NA NA NA NA 1.1523 1.0881 0.7378 NA
meso-2,6-Diaminoheptanedioate 1.9906 0.3684 0.4898 0.2315 2.2407 0.3036 0.2786 0.3614 0.3304 0.2671 0.9626 1.5712 1.2128 1.9939 1.8040 0.6227 0.4855 0.3815 1.7533
Met-Ala 0.6005 0.9137 1.0571 1.0582 0.9627 1.2334 1.0662 0.9172 1.1280 1.3322 1.5838 1.0097 1.2720 0.7744 0.9046 0.8278 1.0822 0.8332 0.5040
Methylcysteine 1.8242 1.1488 0.6815 1.0855 1.1404 0.9445 0.9712 0.7595 0.8483 0.8397 0.7027 0.5538 0.6998 1.4511 0.6940 0.9294 0.9437 0.8338 1.6499
methylmethanesulfonate 0.9554 1.3438 1.1257 0.7722 0.7849 0.7990 1.0633 0.8986 1.0210 1.0336 0.9086 0.8295 0.8784 1.1290 0.8468 1.2743 1.5417 1.1186 0.9449
methylphoracetophenone 0.8103 1.3374 1.1790 0.7108 0.7919 0.7988 1.0078 0.7870 1.0218 1.0990 0.9544 0.9594 0.9895 1.0070 0.8188 1.2794 1.4962 1.3304 0.9213
methylphosphate 0.6007 0.7475 0.9934 0.8643 0.5266 0.3133 0.7347 0.7113 0.5981 0.5661 1.3181 3.2520 1.1545 0.4034 3.0215 0.6174 0.7151 0.8790 0.4369
Met-Met-Pro NA 1.0777 0.9238 1.1756 0.9034 1.7972 1.3986 0.9002 1.1077 1.4460 1.7906 0.4898 1.2502 0.4607 0.6722 0.7233 0.9746 0.5307 0.1719
monomethyl proline 1.0684 0.6963 1.0669 0.8326 0.6689 0.7963 0.9327 0.8871 0.8196 0.8854 1.4906 1.9493 1.6313 1.0584 1.4145 0.3594 0.5543 0.6127 0.8049
myo-Inositol 0.7195 1.1591 0.7352 1.1716 0.9873 1.4995 1.1693 0.7926 0.8654 1.1888 1.5989 0.7601 1.2995 0.7149 0.8577 1.0686 1.1470 0.5881 0.5655
N-(11Z,14Z-eicosadienoyl)-ethanolamine NA 1.1217 NA 0.4174 0.8206 0.7414 0.6633 0.4846 0.7063 0.4279 NA 0.4713 NA NA NA 2.9335 1.1657 0.6495 NA
N-(11Z-eicosaenoyl)-ethanolamine NA 0.9927 0.3832 NA 0.4367 0.8341 0.7384 0.4317 0.6060 0.5316 0.3500 0.2784 0.4862 NA NA 4.1206 0.7896 0.5141 0.3561
N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine 1.0211 0.0684 0.1142 0.0879 0.5290 0.0896 0.0870 0.1187 NA 0.0562 1.8950 2.1397 2.2829 0.9635 2.5667 0.0989 0.7997 0.0630 0.8478
N2-Acetyl-L-aminoadipate 1.3241 0.9315 1.3746 0.9543 1.4494 0.6028 0.8778 0.9054 0.8698 0.9161 0.7832 1.0476 0.8991 0.9510 1.0214 0.8767 0.9503 1.1811 1.0718
N2-Acetyl-L-aminoadipate semialdehyde 1.3260 0.8778 1.0834 1.2230 1.1584 0.5640 0.9284 0.7210 1.1971 0.7105 0.4714 0.9339 0.6571 1.4221 0.9089 0.6904 0.8259 1.7001 1.5647
N2-(D-1-Carboxyethyl)-L-arginine 1.4759 0.5799 1.4214 1.7178 1.5013 0.5925 0.8291 1.2848 0.7954 0.8036 0.5090 0.7152 0.7843 1.4302 0.9173 0.4309 0.3555 1.4504 1.2482
N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine 1.0156 0.8160 1.6276 1.2980 1.2144 1.0206 0.8556 0.8165 1.1422 0.8968 0.7219 0.8907 0.8746 0.9494 0.9401 0.8584 0.6795 1.4281 0.9840
N4-Acetylaminobutanal 1.5565 1.0212 0.7409 1.1710 0.9664 0.8010 0.9572 1.0661 1.0520 0.8993 0.6553 0.6742 0.7161 1.4677 0.7543 0.7860 0.8621 1.0461 1.6590
N4-(Acetyl-beta-D-glucosaminyl)asparagine 1.2083 0.8617 0.7506 0.8993 0.9283 0.6478 0.8439 0.8646 0.9634 0.8631 0.9072 1.3255 1.2758 1.1495 1.3282 0.8846 0.8007 1.1023 1.1635
N5-acetyl-N5-hydroxy-L-ornithine 1.6723 0.4784 0.6219 0.4934 2.6115 0.3283 0.4558 0.4392 0.6233 0.5261 0.9762 1.2893 1.1905 1.9562 1.4637 0.5084 0.4630 0.5670 1.3866
N5-(L-1-Carboxyethyl)-L-ornithine 1.3313 0.9783 0.9002 1.2347 1.0682 0.8699 1.0457 1.0805 1.0168 1.0298 0.7776 0.7777 0.7611 1.3854 0.7794 0.7963 0.8529 0.9486 1.2833
N6-(1,2-Dicarboxyethyl)-AMP 0.8985 0.5099 1.2873 0.7547 1.0232 0.3733 0.6944 0.9045 0.5945 0.5826 0.8199 1.6466 1.2206 1.1682 1.2245 1.1278 1.0235 0.4325 2.3750
N6-Acetyl-L-lysine 1.5483 0.6838 1.6077 1.2211 1.4312 0.6804 0.9290 0.9933 0.9446 0.7303 0.4251 0.6851 0.6931 1.5920 0.6379 0.6476 0.6578 1.3002 1.5442
N6-Acetyl-N6-hydroxy-L-lysine 1.3225 0.6691 1.6862 1.6727 1.5615 0.7404 0.9728 1.3096 0.9192 0.9808 0.4912 0.6704 0.6732 1.2638 0.7560 0.4732 0.4404 1.2071 1.1872
N6-Methyl-L-lysine 0.9113 1.0203 1.4864 1.0862 0.8112 0.9933 1.0431 1.7770 1.0252 0.9574 0.8440 0.8603 0.8917 1.1587 0.8686 0.8400 0.7426 0.8554 1.0091
N6,N6,N6-Trimethyl-L-lysine 0.8534 0.7415 1.2780 0.8549 0.9499 0.6513 0.9330 3.0941 0.8352 0.8860 0.8125 0.9965 1.0252 0.9004 1.1489 0.9238 0.8941 0.6307 0.9594
N-Acetylanthranilate 0.3319 0.8000 0.8334 1.3440 0.8872 2.0276 1.5218 0.9796 1.0283 1.4763 2.3418 0.7399 1.4134 0.3666 0.8389 0.4655 0.7697 0.5047 0.2243
N-Acetyl-D-glucosamine 0.9166 0.8763 0.8257 1.3426 1.3248 0.8384 0.9004 0.8119 0.9721 0.9971 1.1769 1.0129 1.1670 0.7828 1.1820 0.9020 0.8654 0.8433 1.0412
N-acetyl -D- glucosaminitol 1.4720 1.0818 0.7422 1.0917 0.7832 0.6607 0.9766 1.1091 1.0784 1.0991 0.5981 0.7153 0.7438 1.4388 0.7431 1.1175 1.0971 0.9863 1.5167
N-Acetylglutamine 1.4040 0.8838 0.5366 1.0698 0.3968 NA NA 0.6247 0.9119 NA NA 0.4343 NA 1.5829 0.4800 1.0431 0.7307 0.4649 1.6408
N-Acetyl-L-citrulline 2.0585 0.9754 0.9207 1.1636 1.0549 0.6161 0.6825 0.5901 0.8825 0.7478 0.6104 0.6040 0.6589 1.6878 0.7611 0.8284 0.8738 1.0235 1.8971
N-Acetyl-L-glutamate 0.6555 0.6479 0.9807 2.4967 0.4326 1.5399 1.1044 1.1201 1.1484 1.1033 1.7188 0.9347 1.1237 0.3714 1.2277 0.3542 0.3852 0.9418 0.4975
N-Acetyl-L-glutamate 5-semialdehyde 2.2292 0.6578 0.3510 0.3950 0.9286 0.2314 0.3707 0.3658 0.3419 0.3832 1.0690 1.5971 1.2995 2.6330 1.8009 0.5270 0.8172 0.2953 1.5694
N-Acetyl-L-histidine 0.3094 0.7057 0.8081 1.2769 0.6756 2.0285 1.6203 0.8824 1.0298 1.3834 2.5273 0.7598 1.5598 0.4437 0.8111 0.5147 0.5681 0.6935 0.2767
N-Acetylmethionine 1.5387 1.0287 0.9421 0.8501 0.8053 0.7123 0.9393 0.9750 0.9293 0.9500 0.6471 0.7776 0.6442 1.5672 0.8920 0.9984 1.3223 0.7604 1.5853
N-Acetylneuraminate 0.3020 0.8504 0.9289 1.4191 0.8681 1.9520 1.5705 1.0347 1.1410 1.4410 1.9974 0.7240 1.3788 0.4651 0.8627 0.5706 0.6815 0.5509 0.2412
N-Acetylornithine 1.1369 0.8126 1.5918 1.1555 1.9519 0.7394 0.9005 1.2547 0.9468 0.8811 0.5614 0.6209 0.6483 1.2134 0.8013 0.8971 0.7987 0.7453 1.3463
N-Acetylputrescine 0.6896 0.8423 1.9644 1.2487 0.5904 1.0791 1.2977 1.3824 1.0724 1.1179 0.9245 0.9332 0.9786 0.7677 1.0999 0.7641 0.7656 0.9746 0.8417
NAD+ 1.0621 0.9915 1.3593 1.1738 0.9743 0.7816 1.0376 1.1760 0.9790 1.0643 0.7820 1.0145 0.9787 0.8569 1.1147 0.8080 0.7933 1.1760 0.9748
NADH 1.1324 0.8365 1.3287 1.0545 1.5729 0.5997 0.9759 1.0952 1.0041 1.0381 0.5559 0.8160 0.9631 1.4305 0.9082 0.6472 0.6535 1.2116 1.1645
NADP+ 1.4203 0.7992 0.7841 1.2970 0.6855 0.9093 0.6914 0.6825 0.9059 0.9388 1.1543 1.6589 1.1258 0.6729 1.5303 0.6591 0.7333 0.9227 1.0081
NADPH 0.8710 1.0122 0.7057 1.0671 1.1078 0.8035 1.3243 1.2494 1.1946 1.2653 0.7394 0.8179 1.0772 1.2147 1.0554 0.9046 0.9563 0.6455 1.0496
Nalpha-Methylhistidine 0.7954 0.9623 0.8625 1.3462 0.8711 1.5011 1.2927 1.2729 1.0495 1.1730 1.2869 0.6480 0.9576 0.9389 0.7861 0.7390 0.9131 0.7441 0.8715
N-Carbamyl-L-glutamate 1.1052 1.0134 1.1580 1.0975 0.7004 0.8548 1.0139 0.9364 1.0546 1.0784 0.9153 1.0213 1.0663 1.0319 1.1540 1.0347 0.8194 0.9735 0.9883
N-Decanoylglycine 0.1502 0.7428 0.4601 0.1966 0.4291 0.4500 0.6773 0.2661 0.3050 0.3453 NA 0.2636 0.2360 0.1601 0.2562 11.7785 0.5738 1.6503 0.1472
N-dimethylethanolamine 0.7981 1.5120 1.4991 0.7278 1.7160 0.9436 1.3247 0.6119 0.6421 1.4301 0.6587 1.2376 0.8305 0.8219 0.6018 0.6198 1.5247 0.9168 0.7252
N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol) 1.0719 1.1967 0.9578 1.0908 0.9491 0.9397 1.2092 1.0521 1.1069 1.1360 0.4968 0.7979 0.8120 1.1339 0.9398 1.0947 0.9946 1.1388 1.0539
N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 0.9601 0.9541 1.1831 1.0606 0.9264 1.1022 1.1031 1.0562 1.0555 1.0612 0.9004 0.8759 1.0109 0.7563 1.0119 0.7748 0.8138 1.5037 1.0276
Ne,Ne dimethyllysine 1.0843 1.0147 1.5276 0.9902 0.7527 0.8827 1.1208 1.9842 0.9934 0.8841 0.7870 0.8363 0.8566 0.9788 1.1181 0.9332 0.7472 0.7741 0.9750
N-Glycolyl-D-mannosamine 6-phosphate 1.3076 0.9198 0.7233 0.8998 0.7928 0.7163 1.0507 0.9570 1.0282 1.0185 0.7546 1.1439 1.0437 1.3217 1.0142 1.1416 0.8744 0.9274 1.2947
N-hydroxyisoleucine 1.7641 0.8906 0.7813 1.0746 1.0314 0.9900 0.9416 0.8706 0.9019 0.8377 0.7012 0.6163 0.7527 1.6782 0.6777 0.8764 0.8251 0.8518 1.6584
N-methylalanine 1.4093 1.3361 0.9796 0.6535 0.7502 0.6174 1.0315 0.9556 1.1467 1.1880 0.8075 0.8478 0.7883 0.8558 0.7688 1.2410 1.2856 1.2484 1.3579
N-Methylethanolamine phosphate 0.9791 0.7798 0.6435 0.9895 0.6844 0.7940 1.1515 0.8682 0.9191 0.9481 1.1608 1.2703 1.2829 1.0215 1.4633 0.8040 0.8813 1.1355 1.0610
N,N-Dimethylglycine 0.6900 1.6406 1.1975 0.8452 0.4252 0.8458 1.1310 1.2129 0.9675 1.1107 0.8259 0.9574 1.1102 0.9706 0.9315 1.4865 1.7790 0.5739 0.6635
N-Nonanoylglycine NA 0.4587 0.1651 NA 0.3680 0.2254 0.5537 0.1952 0.1459 0.1590 0.0589 0.1019 0.2031 0.0994 0.1435 9.5603 0.2606 1.3199 0.0640
N-(octadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 0.7694 1.0458 1.3054 1.1005 0.7639 1.0302 1.0534 0.9275 1.0582 1.1625 0.9851 0.9721 1.0643 0.8292 0.7858 0.9877 1.0872 1.5487 0.8057
nonulose 9-phosphate 1.2187 1.0308 0.8394 1.0386 0.7282 0.6909 0.8773 0.9949 0.9161 0.9144 0.8747 1.1531 1.0458 1.2062 1.1759 0.9418 0.8869 1.0165 1.2966
Norepinephrinesulfate 0.9652 1.3732 1.1140 0.9721 0.3269 0.8150 1.3683 2.1469 1.1653 1.2091 0.6274 0.8300 1.0103 0.9071 1.0435 1.1990 1.0626 0.4621 0.8337
N(pi)-Methyl-L-histidine 1.7953 0.8710 0.8279 1.2597 0.9464 0.8440 0.9633 0.9577 0.8856 0.8862 0.8736 0.4938 0.5824 1.7046 0.5695 0.7019 0.7512 1.0130 1.8199
N-Succinyl-L-glutamate 0.4673 1.7021 1.0442 1.6871 0.1945 0.7332 1.3635 2.1890 1.2291 1.0807 0.5616 0.9360 0.8937 0.4245 1.3111 1.2919 1.2154 0.6142 0.3667
N-Undecanoylglycine 0.0455 0.4324 0.1204 0.0608 0.1682 0.3605 0.6924 0.1371 0.1571 0.1738 0.0235 0.0733 0.0632 0.0574 0.0612 16.9552 0.1906 2.3759 0.0520
O-Acetylcarnitine 0.9737 1.5034 0.8985 1.2884 0.7516 1.2936 1.4493 2.0359 0.7935 0.8155 0.5544 0.6429 0.5486 1.3839 0.9185 0.8277 0.9230 0.9194 0.6437
O-Acetyl-L-homoserine 1.0310 0.7688 0.9741 0.7627 0.6365 0.7512 1.0039 0.8412 0.8654 0.8344 1.2115 1.5615 1.6801 1.2399 1.5329 0.5994 0.7373 0.7408 0.8766
O-Butanoylcarnitine 0.4109 0.8524 0.9308 1.3649 0.8376 1.8703 1.6433 0.9119 1.0957 1.2060 1.9263 0.7332 1.2444 0.5644 0.7971 0.6799 0.6643 0.8242 0.4313
Octadecanal 1.1373 1.0344 1.5019 1.0473 0.7087 0.8966 0.9399 1.0961 0.8033 1.0479 0.8802 0.8239 0.7816 1.1995 0.8043 0.8671 0.8488 1.5755 1.1758
Octadecanoic acid 0.8587 1.0581 1.0247 0.6369 1.7326 1.1934 0.7706 0.8710 0.6932 0.7654 0.7217 0.8694 0.7274 1.4077 0.7755 1.1739 1.4189 0.6882 1.4642
Octadecanoyl-CoA 0.7517 1.2900 1.2068 1.0379 1.2948 0.9868 1.5624 1.4528 0.9148 0.8220 NA 0.2498 0.3745 2.2282 0.5318 0.6959 0.8890 0.8761 0.4081
octulose 8-phosphate 1.4653 0.8909 0.9603 1.1601 0.9174 0.6462 0.7207 0.7728 0.7635 0.7797 0.8185 1.1317 1.0475 1.4923 1.1832 0.6595 0.7114 1.1097 1.3885
Octylamine 0.8621 1.2858 1.2630 0.8254 0.8039 0.7994 1.0473 0.8185 1.0038 1.0948 0.9819 0.9546 0.9472 1.0456 0.7512 1.1744 1.4015 1.2385 0.9617
O-Propanoylcarnitine 0.2968 0.8421 0.7850 1.4624 0.8497 1.7341 1.4984 1.1410 1.1966 1.3324 2.0647 0.7311 1.4613 0.5303 0.7742 0.7454 0.7051 0.5939 0.2551
Orotate 0.6747 0.9219 0.6099 1.2199 1.4629 0.7660 1.0798 0.9589 0.8498 0.9395 1.1115 0.8126 1.1144 0.9284 0.9091 1.0985 1.9973 0.7131 0.8933
Orotate(Fragment) 1.0645 0.6388 0.8543 1.0497 1.3737 0.8972 0.9238 0.7901 0.9495 1.0702 1.0806 1.0328 1.2016 0.6319 1.0546 0.9223 1.0917 1.0950 1.2017
Orthophosphate 1.0366 0.9688 1.2834 0.7457 0.7468 0.7900 0.8020 1.1202 1.1796 0.9859 0.7892 1.0221 0.9804 1.7458 0.7994 0.8472 0.9965 0.7559 1.3971
Ovothiol A 1.1340 0.9892 1.3453 0.7361 1.0601 0.6828 0.9871 1.3889 1.1722 1.0139 0.5099 1.0597 0.9223 1.2584 1.2076 0.9234 0.8935 0.7264 1.1019
Oxalate 0.7465 1.3830 1.1512 0.7999 0.8096 0.7957 1.0418 0.8599 0.9329 1.0269 1.1041 0.9145 0.9769 0.9663 0.7783 1.1768 1.4506 1.3233 1.0026
Oxycarboxin 0.7310 0.8982 0.6196 0.9208 1.5471 1.3682 1.0273 0.9956 0.7966 1.0057 1.9935 0.7204 1.5453 0.7342 0.9421 0.8812 0.8651 0.7426 0.3991
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate 0.5348 2.4152 1.2324 0.9728 0.6211 1.1712 0.8875 0.8500 0.8805 0.6958 0.6883 0.5596 0.5120 0.5834 0.5479 2.5981 1.9034 1.6017 0.4067
PA(18:2(9Z,12Z)/0:0) 0.4549 0.4936 0.6237 0.5686 0.4596 0.7060 0.6213 0.5524 0.6986 0.4889 2.4019 3.2254 1.6861 0.3973 2.8316 0.3891 0.5085 0.5889 0.4214
PA(34:1) 0.9715 1.1666 0.7230 0.9316 1.1336 1.2974 1.0189 1.1086 1.2459 0.9672 0.8783 0.7317 0.8532 1.1070 0.9190 0.9794 1.0349 0.9249 1.0080
PA(34:2) 0.9559 1.0714 0.7757 0.9464 1.3091 1.2513 1.1300 1.1474 1.2563 0.9802 0.8011 0.8017 0.8428 1.0939 0.8764 0.9370 0.9733 0.9262 0.9554
PA(36:2) 1.0130 0.9941 1.0654 0.9318 1.1087 1.1524 1.0561 1.0909 1.1456 0.8770 0.8747 0.8377 0.8506 1.1804 0.9181 0.9829 0.9856 0.9630 1.0135
PA(36:3) 1.0580 1.0325 0.8310 1.0450 1.2541 1.3919 0.9442 1.0920 1.0545 0.8963 0.7890 0.8433 0.9512 1.0989 1.0178 0.7587 0.9680 0.9085 0.9284
PA(36:4) 1.0036 0.9375 1.0172 1.0580 1.2002 1.4188 1.1225 1.0964 1.1836 0.9231 0.7097 0.7778 0.8469 1.2223 0.8492 0.8287 0.8039 1.0775 0.9362
PA(38:4) 0.9890 0.9014 1.0763 1.0255 1.1620 1.2046 1.1253 1.0703 1.1616 1.0557 0.7546 0.8039 0.9295 1.1588 0.9259 0.8194 0.9601 0.9874 0.9526
PA(38:5) 1.0074 0.9466 0.9790 1.0811 1.2491 1.2251 0.9600 1.0523 1.0846 0.8035 0.8001 0.8258 0.9665 1.1816 1.0085 0.8776 0.9407 0.8606 1.0393
PA(38:6) 1.0388 0.9336 1.0050 0.9821 1.1910 1.2911 0.9661 0.9712 1.0441 0.8624 0.8064 0.8122 0.8818 1.1876 0.9640 0.9569 0.9425 1.0100 1.0928
Palmitoyl-CoA 0.8849 1.1888 0.8607 1.0808 1.6422 1.4428 1.1299 1.5702 1.0227 0.8849 0.4268 0.6245 0.5569 1.5651 0.8500 0.7132 0.9989 1.0884 0.5355
p-aminobenzoyl glutamate 1.2865 1.0640 0.8005 1.1761 0.8949 0.8002 0.7252 0.6817 0.9547 1.2824 1.0060 1.2757 0.9232 1.2431 1.1371 0.7155 0.7254 0.7561 1.2121
Pantothenate 0.6082 0.6058 1.1890 1.3807 0.6676 1.5656 1.3862 1.0146 1.0480 1.0617 1.8987 0.7552 1.1606 0.6827 0.8045 0.6418 0.6996 1.2933 0.6198
[PC(18:1/22:6)] 1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 0.7827 2.2723 0.3794 0.6636 0.3801 0.6566 0.3525 2.0050 2.5583 2.7423 1.0222 0.3586 0.3243 0.3473 0.4033 0.3014 0.2217 2.4746 1.5125
PC(18:2) 0.4687 0.3969 0.5124 0.6081 0.4651 0.6289 0.6097 0.5487 0.6616 0.4350 2.7859 3.5487 1.3500 0.2958 3.1001 0.3314 0.4008 0.4632 0.3796
[PC(18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 0.8685 1.1220 0.4589 0.7859 0.7451 0.4770 0.4492 0.9183 1.0109 0.3744 1.2255 3.6686 0.9801 0.7956 2.5695 0.2541 0.4023 0.3124 0.6270
[PC(18:2/22:6)] 1-(9Z,12Z-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 1.4288 1.4071 1.6908 0.8127 0.2913 0.4176 0.4001 0.9501 1.6051 1.3903 1.4193 0.5691 0.6567 0.3221 1.3638 1.4464 1.4205 1.5853 0.4450
[PC(22:6)] 0.3432 0.3512 0.6332 0.4448 0.2869 0.5503 0.4493 0.4432 0.4838 0.3546 2.4481 3.9548 1.6531 0.2615 3.8735 0.2279 0.3203 0.3910 0.3552
PC(34:2) 0.9054 1.2043 0.7196 1.0148 0.9323 1.0455 0.9470 0.8743 1.0567 1.1519 1.0602 1.0357 0.9330 1.0238 0.9872 0.9523 1.1729 1.0423 0.9200
PC(36:2) 1.0204 1.0996 1.1395 0.8301 0.8731 0.9842 0.8342 0.8237 0.9186 1.0236 1.1088 1.0225 0.9246 1.1127 1.0021 0.9815 1.0897 1.2259 0.9944
PC(38:4) 0.9921 1.0751 1.0163 1.0516 0.8403 1.0742 0.9394 0.8119 0.9436 1.0652 1.0783 1.0312 0.9392 1.0838 0.9744 0.9573 1.0288 1.1971 0.8902
PC(38:5) 1.0260 1.0454 0.9448 0.7868 0.8980 1.0379 0.9332 0.8061 0.9211 1.0073 1.1528 1.0591 0.9745 1.1578 1.0413 0.9780 1.0636 1.1270 0.9844
PC(38:6) 1.0233 1.0070 0.9352 0.9987 0.8562 1.0958 0.9174 0.8332 0.9523 1.0525 1.1066 1.0143 0.9447 1.1499 1.0175 0.9259 1.0237 1.1240 0.9630
PC(40:4) 1.0229 1.1139 1.1604 1.0408 0.8387 1.0563 0.9137 0.8553 0.8599 1.0058 1.0976 0.9301 0.9302 1.1415 0.8940 0.9954 1.0922 0.9641 1.0489
PC(40:5) 1.0771 1.1466 1.0932 0.9966 0.8525 1.0374 0.9194 0.8198 0.8797 0.9879 1.0979 0.9741 0.9427 1.2135 0.7927 0.8074 1.0588 1.1815 1.0581
PC(40:6) 1.0404 1.0867 1.0709 1.0022 0.8588 1.0067 0.9492 0.8598 0.9443 1.0109 1.1160 0.9868 0.9709 1.1998 0.6585 0.9682 1.0316 1.1971 1.0492
PC(40:7) 1.0115 0.9926 1.1322 0.9414 0.9001 1.0598 0.9345 0.8533 0.9901 0.9774 1.1444 0.9761 0.9835 1.1955 0.9224 0.9135 0.8874 1.1320 1.0076
PC(40:8) 0.9848 0.9890 1.2059 0.9939 0.9073 1.0582 0.9910 0.9059 0.9945 1.0386 1.0503 0.9126 0.9292 1.1993 0.9505 0.8770 0.9149 1.1309 0.9808
PC(40:9) 1.1775 0.8172 1.0050 0.9631 1.0775 0.8979 1.1714 0.8287 0.9321 0.9355 1.2141 0.9658 0.9181 1.2774 0.9833 0.6984 0.8386 1.0014 1.1500
PC(42:10) 1.3516 0.8676 0.8620 0.8394 1.2639 0.8932 0.8017 0.7692 0.8905 0.9595 1.0699 0.8657 0.9214 1.5639 0.9015 0.7404 0.7581 0.9179 1.4376
PC(42:8) 1.2960 0.9213 0.9016 0.8407 1.1050 0.9575 0.8324 0.7929 0.8895 0.9392 1.1326 0.9556 0.8861 1.4740 0.9387 0.7026 0.7491 1.0310 1.3639
PC(44:8) 1.0558 0.9351 1.0312 1.0033 0.9520 1.2034 0.8206 0.7405 1.0473 0.9870 0.9202 0.9144 1.0593 1.2874 0.9060 0.7999 0.8494 1.1392 1.2017
PC(44:9) 1.2433 1.0088 1.1184 0.8923 1.0128 0.9750 0.7836 0.7828 0.7535 1.0438 0.9615 1.0061 0.9512 1.2795 0.9145 0.8318 0.9698 1.0302 1.2697
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine 0.2753 1.7576 1.0434 0.8023 0.8795 0.5303 1.2482 1.3241 0.7142 0.7200 0.6601 0.7206 0.9612 1.8728 1.0880 1.7268 0.7875 0.9362 1.0772
PC(O-36:3) 1.2228 0.7022 1.2991 1.2449 1.4652 1.1272 0.9731 0.9684 1.1554 0.8487 0.8320 0.8591 0.7183 1.0640 0.8893 0.5997 0.5424 1.1132 1.1239
PC(P-36:2) 1.0176 0.8836 1.6301 1.0921 1.1834 1.0045 0.9018 0.8046 1.0597 1.0405 0.9223 0.9356 0.8418 1.1193 0.8741 0.7268 0.7443 1.3001 0.9699
PC(P-38:3) 1.1180 0.8163 1.7384 1.1063 1.2316 1.0982 0.8738 0.8993 1.0319 1.0607 0.9845 0.8013 0.7517 1.2657 0.6765 0.5648 0.5429 1.3858 1.0767
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 1.1732 1.1801 0.9301 1.6032 0.8721 0.7084 0.8864 0.8014 0.6884 0.8164 0.9488 0.7914 0.7853 1.1683 0.8846 0.9087 0.9136 1.7110 1.1426
PE(32:1) 0.9128 1.2143 0.8711 0.9113 1.1664 1.2475 1.1065 1.2451 1.2858 1.1634 0.7623 0.7297 0.7918 1.0446 0.7612 1.0876 1.1842 0.8484 0.8641
PE(36:2) 0.7987 1.4113 1.0755 0.6819 0.6477 0.8586 1.2378 0.8360 1.0512 1.0885 0.9460 0.8879 0.9225 0.9089 0.7021 1.4586 1.7177 1.3263 0.8907
PE(36:3) 1.0173 1.0119 1.0828 0.9604 1.0914 1.2431 1.0207 1.0175 1.1985 1.1144 0.7685 0.8007 0.9185 1.1420 0.8078 0.9432 1.0541 1.0305 0.8921
PE(36:4) 0.8095 1.3134 0.8453 0.7665 0.5910 1.0064 1.3393 1.0001 1.0830 1.2046 0.9769 0.8749 0.7085 0.9209 0.8156 1.2512 1.6975 1.2968 0.9281
PE(36:5) 0.9770 0.9507 1.0104 0.8200 1.2114 1.3387 1.0362 1.0367 1.2947 1.0848 0.7388 0.8080 0.9236 1.0547 0.9140 1.0625 1.0724 0.8838 0.9020
PE(37:2) 0.3685 0.7362 1.1589 0.9741 1.1552 0.3309 0.4096 0.8197 1.7643 1.5603 0.7683 0.6649 0.8352 1.5888 0.7621 0.8643 1.5229 1.6748 1.4846
PE(38:4) 0.8607 1.3130 1.1377 0.7851 0.6601 0.9404 1.1581 0.8940 1.1039 1.0854 0.9954 0.8583 0.9463 0.8775 0.8095 1.2905 1.3659 1.4452 0.8431
PE(38:5) 0.8218 1.2738 0.8965 0.7424 0.7032 0.8616 1.1469 0.8392 1.1010 1.0523 1.0507 0.9056 0.8761 1.0958 0.8506 1.4311 1.4436 1.2534 0.9455
PE(38:6) 0.9245 1.3012 0.8621 0.9785 0.7260 0.9525 1.0884 0.8931 0.9844 1.1018 0.9365 0.8720 0.9282 1.0351 0.8267 1.2681 1.4252 1.2061 0.8967
PE(39:2) 1.1471 1.0132 1.0537 0.9345 0.8951 1.2198 0.8271 1.0579 1.0807 0.8134 1.1905 0.8746 1.0203 0.9543 1.0260 0.7908 0.7981 0.9607 1.1879
PE(40:4) 1.0485 0.9777 0.7122 0.9322 0.7813 1.0735 1.0382 0.8126 1.0487 1.2618 1.0678 0.9811 0.9891 1.1034 1.0501 1.0085 1.0302 1.1489 0.9496
PE(40:6) 0.9456 1.3542 0.9679 0.7466 0.7801 0.9643 1.1239 0.9319 1.0557 0.9929 0.8841 0.9041 0.9902 0.9573 0.8097 1.3146 1.1832 1.4027 0.9342
PE(41:5) 0.2522 0.5193 0.6983 0.4300 0.7775 2.0255 1.5784 0.4210 1.8217 1.8390 1.9256 1.1330 0.3496 0.3451 0.8306 0.4299 1.8288 1.8915 0.5301
PE(41:6) 0.2774 2.2802 2.0960 0.5510 0.5984 0.4108 0.2421 0.3014 2.1962 2.4144 0.2925 0.2465 0.7787 0.2647 2.1457 1.9248 0.5202 1.3819 0.8462
PE(42:4) 1.1564 1.0790 1.0223 1.0561 0.8307 1.0907 0.8980 0.7860 0.8819 1.0064 1.2690 1.0875 0.6619 1.0849 0.8288 0.9584 1.0488 1.2478 0.9677
PE(42:5) 0.9965 1.1220 0.9674 0.9037 0.8358 0.9372 0.8744 0.8056 0.9588 0.9165 1.2858 1.0664 1.0577 1.1663 1.0318 0.8054 0.9878 1.0919 1.0410
PE(42:6) 0.9310 1.0625 0.8509 0.8290 0.9207 0.9523 0.8637 0.7786 0.8594 1.0463 1.2220 1.1141 1.0903 1.1013 1.1168 0.9880 1.0728 1.0533 1.0252
PE(42:7) 0.9742 1.0818 0.8067 0.8726 0.7210 1.0372 1.0295 0.8091 0.9229 1.0327 1.2270 1.2047 1.1769 1.0883 1.0294 0.9606 0.9592 0.8413 1.0654
PE(43:4) 1.2230 0.4716 0.6670 0.7820 0.6446 0.6342 1.0440 1.0000 1.2680 1.2185 1.4202 1.2408 0.5006 0.6066 1.2662 1.0774 1.1034 1.7632 1.3539
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine 1.1768 0.9743 0.8283 1.2918 1.2577 0.7466 0.8212 0.8406 0.6192 0.9159 0.9352 0.9659 0.9474 1.1135 1.0356 0.8086 0.6933 1.6934 1.1398
PE(O-36:2) 0.9857 0.9760 1.1877 0.9574 0.9625 1.0882 0.9964 0.8611 0.9612 1.0397 1.2190 0.8803 1.0841 0.9944 1.0351 0.6985 0.8811 1.2557 0.9059
PE(O-36:3) 1.1962 0.8670 0.9842 1.0614 0.9961 1.1295 0.9231 1.0095 1.0587 0.9576 1.1632 0.8784 0.9192 1.0856 1.0600 0.7432 0.7235 1.0845 0.9463
PE(P-20:0) 1.2686 0.9092 1.2231 1.1310 1.0161 0.8518 0.9224 0.8452 0.8402 0.9033 0.9348 0.8850 0.9894 1.2117 0.9280 0.7028 0.6940 1.2220 1.3597
PE(P-34:1) 0.8215 1.4274 1.1190 0.9547 0.8634 0.9642 1.0426 0.8839 1.0323 1.1112 0.9511 0.7511 0.8716 0.8829 0.7430 1.2880 1.4255 1.3093 0.8604
PE(P-34:2) 0.8124 1.4312 0.9894 0.9961 0.7605 0.9403 1.0814 0.8588 0.9749 1.1068 0.9746 0.8333 0.8708 0.9175 0.7484 1.2141 1.3810 1.4799 0.9002
PE(P-36:0) 1.1900 0.9269 0.7609 0.9918 1.2097 1.2661 0.8580 1.0705 1.0307 0.8147 1.0505 0.8482 0.8734 0.9654 1.0981 0.8278 0.8516 1.0509 1.1310
PE(P-36:1) 0.8504 1.1977 1.1558 0.7106 0.9516 0.8332 1.1386 0.8072 1.0136 1.0648 1.0960 0.9144 0.9786 1.0278 0.8372 1.1363 1.3331 1.1945 0.9695
PE(P-36:2) 0.9541 1.2079 1.2143 0.8521 0.8504 0.8770 1.0271 0.8443 1.0225 1.0622 1.0300 0.9712 0.9916 1.0520 0.8117 1.0131 1.1799 1.2365 0.9520
PE(P-36:3) 0.9047 1.2258 1.0258 0.8256 0.8234 1.0196 1.0863 0.8303 0.9746 1.1361 0.9648 0.8955 0.9174 1.1056 0.7832 1.1877 1.4454 1.2576 0.8265
PE(P-38:2) 0.8204 1.1854 1.9056 1.1888 1.1015 1.2689 0.9939 1.0657 1.1192 0.9513 0.7815 0.7988 0.7104 0.7329 0.7080 0.7959 0.6155 1.6617 0.8718
PE(P-38:3) 0.8409 1.1115 1.5602 0.9308 0.8777 0.9521 0.8466 0.8817 1.0841 1.0812 0.8512 0.9270 0.9301 1.0540 0.8304 1.0583 1.1235 1.3477 0.9567
PG(40:4) 1.1718 0.9471 1.6456 1.2491 0.7366 1.2184 1.0057 0.8838 0.9239 0.8980 0.9771 0.8211 0.8422 0.8739 0.9025 0.6615 0.7777 1.5207 1.0227
PG(40:5) 1.2373 0.9487 1.3851 1.1806 0.8018 1.1474 0.8863 0.8228 0.9154 0.8631 1.0389 0.8972 0.9131 0.9335 0.9238 0.7123 0.8139 1.4475 1.0928
PG(40:7) 1.3153 0.8872 1.1432 1.2452 0.9080 1.0780 0.7554 0.8236 0.7990 0.8300 1.1521 0.9320 0.9680 0.9706 1.0508 0.6545 0.7026 1.4477 1.1256
PG(O-36:2) 1.2004 0.8097 1.2202 1.0938 1.1731 1.1249 0.8399 0.9230 1.0692 0.9979 0.9315 0.8752 0.8741 1.1966 0.8827 0.6110 0.6890 1.2739 1.1199
PG(O-36:3) 1.0330 0.9044 1.3111 1.0364 1.0801 1.1110 0.9066 0.9176 1.1832 0.9816 1.0043 0.9031 0.9130 1.1203 0.9000 0.6726 0.8139 1.1752 1.0231
Phenolsulfonphthalein 0.2972 0.8032 1.0020 1.2381 0.6236 1.8578 1.1846 0.6339 0.9909 1.2276 2.9712 0.9367 1.6822 0.3543 0.8591 0.4144 0.8477 0.5388 0.2468
Phenyllactate 1.0046 0.2864 0.3223 0.8917 1.4995 0.5638 0.3228 0.2814 0.7069 0.5559 1.5283 1.9719 1.9577 0.2120 2.7852 0.5708 0.4803 0.6986 1.3447
Phenylpropanoate 0.8787 0.2186 0.2590 0.2614 2.9310 0.2686 0.1976 0.2972 0.2957 0.3063 1.1250 2.4941 1.9759 1.3916 2.0789 0.1366 0.2627 0.2324 1.8857
Phenylpyruvate 0.2333 0.5522 0.6354 0.9205 0.6974 1.4492 0.9873 0.5719 0.7669 0.9640 3.4984 1.3512 2.3924 0.3147 1.4668 0.4096 0.4725 0.4377 0.1900
Phe-Val-Pro-Pro 0.9731 1.0868 0.4085 0.9789 0.7457 1.2496 1.0140 1.3276 1.2819 1.0069 0.9837 0.9393 1.1920 1.1699 1.0468 0.9136 1.0961 0.6327 0.8733
phosphinomethylisomalate 1.4410 0.4972 0.4368 0.8212 0.5120 0.1936 0.5460 0.6367 0.8124 0.9155 1.3273 2.2521 1.3030 0.7112 1.5846 0.9344 0.6264 0.7075 2.1450
phosphinomethylmalate 1.4841 0.9694 1.3202 1.2022 1.0170 0.7492 0.8288 0.9815 0.9967 0.8722 0.5976 0.7860 0.7038 1.5230 0.8212 0.7422 0.7159 1.2511 1.3652
Phosphodimethylethanolamine 1.1906 0.7567 0.5974 1.1748 0.7763 0.5971 0.8599 0.8174 0.7993 0.8181 1.0315 1.6483 1.2445 1.2017 1.7660 0.5702 0.5296 1.0136 1.1081
Phosphoenolpyruvate 0.5415 1.7299 1.1330 1.0245 1.0256 0.7336 1.2461 1.5321 0.7345 0.7479 0.7354 0.9431 0.8772 1.3637 1.4665 0.7967 0.6205 1.1320 0.6020
Phosphonoacetaldehyde 1.0849 1.1138 0.1033 0.9451 1.0621 0.8062 1.2143 1.0804 1.1048 1.1271 0.8285 0.8926 0.9722 1.1866 1.0016 1.2060 1.1479 1.1041 1.0404
Phthalate 0.9626 1.3075 1.1946 0.7682 0.8808 0.7589 0.9609 0.8517 1.0332 1.0756 0.9061 0.8835 0.9146 1.0373 0.7817 1.1723 1.4350 1.2670 1.0560
Phytuberin 0.7309 1.2577 1.0055 0.9691 0.5234 0.9324 0.8924 0.5311 1.3942 0.7890 0.4501 0.4052 0.6544 0.5881 0.4880 5.8334 0.8197 0.9043 0.8734
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-myo-inositol) 0.7595 0.6953 1.0460 0.8629 1.3796 0.8173 0.7913 1.1212 1.3717 0.8051 0.8070 1.4672 1.5207 0.7537 1.3454 0.7220 0.8454 1.1360 0.7124
PI(22:4(7Z,10Z,13Z,16Z)/0:0) 0.9340 0.5948 1.3041 1.0488 1.7838 1.0072 0.7302 0.9392 1.4706 0.9143 0.6639 1.0644 1.0147 0.8263 1.1802 0.5675 0.7272 1.2615 0.9459
PI(34:1) 0.8095 1.1062 0.5703 0.8688 0.8119 0.9823 1.2020 1.0438 1.0514 0.9271 1.1330 1.1228 0.9937 1.0713 1.1191 0.9697 1.1687 0.9379 1.0783
PI(34:2) 0.8808 0.9200 0.6170 0.8654 0.9837 0.9774 1.1360 1.0361 1.0483 0.9350 1.1152 1.2124 1.0634 1.0940 1.2318 0.7675 0.8637 1.0212 1.0873
PI(36:1) 0.8773 1.0176 0.9457 0.8147 0.8815 0.8837 1.0667 0.9111 0.9601 0.8695 1.1197 1.2807 1.0441 0.9911 1.1779 0.9890 1.0748 0.9502 1.0863
PI(36:2) 0.9102 0.8638 1.0645 0.8431 0.9797 0.8738 1.0609 0.9145 0.9270 0.8411 1.1294 1.2738 1.0659 1.1129 1.2107 0.7818 0.8519 1.0622 1.1091
PI(36:3) 0.8509 0.8126 0.6608 0.8606 1.0160 0.9657 1.1296 0.9855 1.0073 0.9713 1.1992 1.2793 1.1294 1.0843 1.2334 0.7371 0.8340 0.9977 1.0763
PI(38:4) 1.0684 0.8483 1.0621 0.9891 1.0736 0.9661 1.0982 0.9718 1.0784 0.9459 0.8709 1.0019 0.8101 1.2137 0.9168 0.8014 0.8346 1.1036 1.3191
PI(38:6) 1.0127 0.7899 0.5359 0.9330 1.0994 0.9521 0.9783 0.9104 0.9264 0.8373 1.1398 1.1655 0.9928 1.2569 1.2337 0.7830 0.7735 1.0934 1.2955
PI(40:4) 1.0591 0.8546 1.0499 1.0049 1.0224 0.9049 1.0111 0.9081 0.9219 0.8473 0.9321 1.0905 0.8789 1.2266 0.9679 0.8319 0.9254 1.1529 1.3217
PI(40:5) 1.1186 0.8974 0.9903 0.9531 1.0551 0.8801 0.9787 0.9078 0.8942 0.8089 0.9830 1.0721 0.8975 1.2436 0.8890 0.9072 0.9678 1.1023 1.3426
PI(40:6) 1.1235 0.8756 0.8742 0.8614 1.0472 0.8626 0.9013 0.8227 0.8387 0.7588 1.0052 1.1636 0.9379 1.3330 1.0434 0.9200 1.0221 0.9706 1.4151
PI(40:8) 1.1115 0.7646 0.7278 0.9841 1.2446 0.8524 0.8714 0.9854 0.9980 1.0046 1.0136 1.1379 0.9831 1.0364 1.0838 0.8019 0.7667 1.0313 1.3978
Picolinamide 0.5921 0.9839 0.9154 1.4497 1.3116 1.7265 1.6299 1.4880 1.1340 1.1133 1.3435 0.6581 1.0224 0.7660 0.7362 0.5513 0.7737 0.5827 0.2688
PIP(16:0/20:2(11Z,14Z)) 0.9458 1.1702 0.9633 0.7237 0.8157 0.9789 1.1312 1.2428 1.1140 1.1381 0.8690 0.6994 1.0599 1.3454 0.6786 1.1979 1.1973 1.0827 0.9128
PIP(16:0/22:4(10Z,13Z,16Z,19Z)) 1.0442 0.8579 0.9892 0.9996 0.8978 1.1698 1.0347 1.3825 1.3013 1.0297 0.7346 0.8118 0.8010 1.4274 0.7882 0.8693 1.0077 0.8474 1.1212
PIP(34:1) 0.9435 1.1890 0.3952 0.7627 0.6370 1.2964 1.1149 1.3349 1.2081 1.0716 0.9704 0.7537 1.0405 1.2489 0.7914 1.2088 1.3468 0.8908 0.9383
PIP(34:2) 1.0299 0.8344 0.5810 1.1327 0.9427 1.1579 0.9176 1.2590 1.2461 1.0830 1.0441 0.9610 1.2096 1.2380 0.9930 0.7129 0.7795 0.8114 0.9138
PIP(36:1) 0.8996 0.7666 0.9103 0.8540 0.7818 1.1048 0.9133 1.2954 1.2393 1.0558 0.8467 0.8840 1.1543 1.3103 1.0580 1.2020 1.1689 0.7868 0.9109
PIP(36:2) 0.9073 0.7876 1.0792 0.9520 0.8429 1.1169 0.9998 1.3596 1.1406 0.9620 0.8343 0.8705 1.1034 1.3180 0.9947 0.8833 0.9144 0.9036 1.0905
PIP(38:4) 1.0429 1.0625 0.9970 0.7783 0.8307 1.2557 1.0698 1.2107 1.2139 1.1612 0.7117 0.6178 0.9672 1.4810 0.6563 1.0297 1.0640 0.9533 1.0712
PIPES 1.1436 1.3688 1.0373 0.8262 1.1525 0.6791 0.9601 0.9395 0.9368 1.0338 0.5616 0.7613 0.7209 1.3466 0.7936 1.4633 1.4192 0.9637 1.0805
[PR] Abietic acid 0.4600 0.9504 0.3514 0.5043 1.3613 1.5225 2.0453 0.2901 0.4596 0.3926 1.5550 2.0617 0.8607 0.1404 2.6907 0.2858 0.5973 0.1807 0.8425
Propanoyl phosphate 1.0208 1.1856 1.5189 0.8412 0.7446 0.6860 0.8724 1.1076 0.9478 1.0468 0.7653 1.1119 1.1107 0.9503 1.1679 0.9892 1.0307 1.0141 1.0201
PS(34:2) 0.8406 1.1431 0.5805 0.9073 0.6049 1.1063 1.2186 1.0895 1.2320 0.8924 1.1911 1.1380 0.9597 0.9602 1.1252 0.9319 1.0074 1.1237 0.9665
PS(36:0) 1.0410 0.9917 1.0598 0.9414 0.8519 1.0589 0.8133 0.8424 0.8858 0.8698 1.1774 1.1171 1.0317 1.1121 1.1041 0.7396 0.9069 1.2526 1.0450
PS(36:4) 0.9125 1.1744 0.8148 0.9105 0.7242 1.2318 1.1824 1.1169 1.2352 0.9956 0.9936 0.9579 0.8130 1.0558 0.8138 0.8840 1.1131 1.2566 0.9636
PS(38:1) 1.0892 0.9389 1.1739 1.0911 0.8512 1.1086 0.7866 0.8534 0.9097 0.9487 1.1071 1.1028 0.9625 0.9690 0.9677 0.7367 0.8219 1.4094 1.0818
PS(38:4) 1.0219 1.0151 1.1379 1.0884 0.8105 1.1119 0.9153 1.0089 1.2143 1.1198 0.9151 0.8742 0.8098 1.0846 0.8064 0.9126 0.9300 1.3052 1.0541
PS(38:6) 1.0234 0.9126 0.8430 1.0499 0.8335 1.1260 1.0680 1.0480 1.0021 0.9362 1.1202 0.9246 0.8736 1.0376 0.9842 0.8599 0.7995 1.2839 1.2340
PS(40:2) 0.9820 0.9220 1.3917 1.2395 0.7973 1.1919 0.8682 0.9108 0.9384 0.9261 0.9793 0.9702 0.8541 1.0958 0.9335 0.6583 0.7792 1.5675 1.0043
PS(40:3) 1.0630 0.9211 1.2251 1.1310 0.8588 1.1249 0.7992 0.8577 0.9121 0.8570 1.0555 0.9779 0.9763 1.1473 0.9361 0.7372 0.8193 1.4316 1.0788
PS(40:4) 1.0471 0.9309 1.1590 1.1067 0.8409 1.0936 0.8155 0.8557 0.9239 0.8824 1.0757 1.0128 0.9897 1.1148 1.0486 0.7378 0.8821 1.4150 0.9857
PS(40:5) 1.0746 1.0162 0.9966 0.9688 0.8403 1.0054 0.8306 0.8636 0.9559 0.9718 1.0995 1.0692 1.0202 1.1239 0.9783 0.8964 0.9541 1.2059 1.0475
PS(40:6) 1.0898 1.0018 1.0116 0.9338 0.8755 1.0423 0.8643 0.9499 0.9506 0.9197 1.0879 1.0330 0.9793 1.1090 0.9009 0.9437 1.0326 1.2187 1.0284
Pseudouridine 1.1611 1.0772 0.5517 0.8785 1.1392 0.8164 0.9154 1.1152 0.9086 1.0117 0.8912 0.9986 1.0779 1.2061 1.1313 1.0272 0.9916 0.7832 1.1439
PS(O-36:2) 0.9619 0.9086 1.3817 1.1026 1.0291 1.0768 0.9382 1.0338 1.0914 1.1362 0.8792 0.9400 0.8936 1.0380 0.8300 0.7469 0.8181 1.2662 1.0308
PS(O-36:3) 0.9662 0.9064 1.4659 1.1125 1.0117 1.0712 0.9441 1.0657 1.1330 1.1818 0.8858 0.9178 0.8773 1.0318 0.7953 0.7323 0.7988 1.2625 0.9858
Pyruvate 0.7953 0.7265 0.8319 1.3522 0.6455 1.2062 1.1979 0.9131 0.9377 1.1060 1.7295 1.2610 1.4905 0.7564 1.2410 0.4992 0.5146 0.9381 0.5922
(R)-3-Amino-2-methylpropanoate 1.3249 1.0613 0.6878 0.9813 0.9361 0.8754 1.1065 0.9394 1.0482 0.9173 0.7967 0.9018 0.8333 1.3020 0.7508 1.0482 0.9689 1.1724 1.3199
(R)-3-Hydroxy-3-methyl-2-oxopentanoate 1.3984 0.7597 0.8390 1.2347 0.5549 0.5001 0.9368 0.9775 1.0146 1.3042 0.8156 1.4101 1.0688 0.8278 1.1644 0.5968 0.6742 1.2964 1.2223
(R)-3-Hydroxybutanoate 0.7350 0.8874 0.7676 1.1578 0.9635 1.3736 1.2209 0.8180 0.9568 1.0691 1.6773 0.9819 1.2782 0.8690 0.9547 0.8277 0.7879 0.8093 0.6786
(R)-Lactate 0.2966 1.0054 0.9667 1.1189 0.9060 1.8961 1.6063 1.0035 1.1450 1.3369 1.8643 0.5809 1.2679 0.5427 0.7357 0.8622 1.0119 0.6498 0.3487
(S)-1-Pyrroline-5-carboxylate 0.8886 0.7649 1.0731 1.1567 1.0805 1.5832 1.3391 1.2228 1.1044 1.1606 1.3411 0.7266 1.1509 0.9692 0.8932 0.4430 0.5947 0.6225 0.7753
(S)-2-Aceto-2-hydroxybutanoate 0.9750 0.7076 0.9462 1.2755 0.5426 0.9006 1.2299 1.6042 1.1887 1.1145 0.9341 1.1131 1.1928 0.8303 1.0318 0.5236 0.6299 1.3849 1.0303
(S)-2-Acetolactate 0.5201 1.0741 0.9186 1.2016 0.8632 1.8171 1.4261 0.9970 1.1776 1.3050 1.6858 0.5194 1.1250 0.6222 0.7323 0.8704 1.0079 0.7642 0.4889
(S)-2-Aminobutanoate 0.9179 1.3188 1.1475 0.7696 0.6889 0.8282 1.0378 0.7937 0.9946 1.0219 0.9920 0.9962 0.9452 0.9541 0.6863 1.5590 1.4224 1.3064 0.9403
S-Adenosyl-L-homocysteine 1.2540 0.6830 0.6295 1.0303 0.6801 0.5378 0.8169 1.0164 0.9810 1.0666 0.9346 1.5333 1.0542 0.9498 1.3068 0.9375 0.8289 0.8847 1.6649
S-Adenosyl-L-methionine 0.8948 0.6300 4.0541 0.7040 2.0217 0.6935 0.6909 0.6136 0.8052 0.7807 0.6211 0.9793 1.1474 0.8498 1.0173 0.5685 0.5495 0.7714 0.8158
(S)-Dihydroorotate 0.9759 2.4653 0.4439 0.8360 0.8671 0.4708 1.7397 1.5251 0.6823 0.7426 0.3535 0.5118 0.4950 2.3156 0.4170 1.4471 1.0333 0.8247 0.9629
Sedoheptulose 7-phosphate 2.1532 0.8285 0.5651 1.1743 0.8194 0.3507 0.6647 0.5885 0.8232 1.1111 0.5380 1.0435 0.9038 0.9889 1.1425 0.6457 0.8567 1.6390 1.8868
(S)-Lactate 0.3885 0.7361 0.8241 1.2899 0.7711 1.9659 1.4521 0.8976 1.0854 1.3485 2.2621 0.9426 1.4901 0.4029 0.8630 0.5192 0.6970 0.5688 0.3432
Slaframine 0.9474 0.8000 0.7663 0.9585 0.7541 0.9163 0.8567 1.7683 0.8854 1.0085 0.8735 1.2551 1.3226 0.9495 1.2606 1.0110 0.7595 0.9573 0.9528
(S)-Malate 0.7554 0.9975 0.8500 1.5056 0.9044 1.0257 1.6986 1.2302 1.2209 1.3349 0.6329 0.7050 0.8883 1.0919 0.8801 0.8148 0.9820 0.7290 0.9680
SM(d18:0/24:1(15Z)) 0.7707 1.5989 1.0087 1.0221 0.9324 1.5137 1.0279 0.9255 1.1952 1.0254 0.7799 0.4849 0.5878 0.4616 0.6106 1.6335 1.7303 1.4260 0.7580
SM(d18:1/24:1(15Z)) 0.7447 1.6392 0.9819 0.9639 0.8853 1.6067 1.2546 0.9281 1.1380 1.1684 0.7647 0.4160 0.5609 0.5277 0.4978 1.8198 1.7100 1.2605 0.6971
SM(d32:1) 0.8083 1.2269 1.3955 1.0140 0.8966 0.9739 0.9654 0.7959 1.0774 0.9947 0.9374 0.9538 0.9591 0.9053 0.8735 1.1167 1.0771 1.3446 0.8757
SM(d33:1) 0.7442 1.0155 1.1911 0.9765 0.8474 0.9991 0.9734 0.8420 1.0325 1.0210 1.0748 1.0476 1.1395 0.9273 1.0210 1.0544 1.0339 1.2470 0.9106
SM(d34:1) 0.8280 1.0849 1.2742 0.9382 0.8591 1.0102 0.9926 0.8730 1.0690 1.0679 0.9847 0.9619 1.0273 0.9570 0.9383 1.0693 1.0946 1.2052 0.9260
SM(d35:1) 0.8095 0.9512 1.2457 0.8780 0.8773 0.9532 0.9054 0.8492 1.0231 1.0333 1.1379 1.1176 1.2085 0.9754 1.0756 0.8929 1.0030 1.1761 0.9192
SM(d40:1) 0.6934 1.6420 1.2566 0.9049 0.9877 1.4364 1.1871 0.9802 1.1193 1.2141 0.8725 0.4648 0.5029 0.5362 0.5882 1.5168 1.5913 1.2621 0.7753
sn-glycero-3-Phospho-1-inositol 1.0495 1.1049 1.0455 1.0690 1.0203 0.7715 0.9749 0.9749 1.0666 1.0692 0.7862 0.9844 0.9495 1.0515 1.0060 0.9600 0.9847 1.1675 1.0246
sn-glycero-3-Phosphocholine 1.0857 1.1543 0.9092 1.1183 1.1505 0.7651 0.9054 0.9754 0.9342 1.0096 0.7301 0.9512 0.9137 1.1000 1.0144 1.0184 1.0552 1.1253 1.0671
sn-glycero-3-Phosphoethanolamine 1.1218 1.0225 0.6575 1.3621 1.4224 0.7045 0.8786 0.7999 0.7769 0.9690 0.8340 1.0435 0.9990 1.0188 1.1362 0.7892 0.8016 1.4339 1.0051
sn-Glycerol 3-phosphate 1.3605 0.9994 0.8286 1.1300 0.8916 0.8124 0.8964 0.8247 0.9913 1.1083 0.9443 0.9900 1.0360 0.8710 1.0218 0.8264 1.0081 1.1774 1.1970
(S)-N-Methylcanadine NA 1.0732 0.4867 1.9420 0.6529 1.7285 1.2454 1.1420 0.9986 1.1457 1.2801 0.4784 0.9615 0.4200 0.6844 0.3296 NA 0.3880 NA
sodium dodecyl sulfate 0.4873 2.3019 0.8265 0.6080 0.9554 0.9818 1.1822 0.7106 0.5175 1.6955 0.4539 1.3190 0.7102 0.5004 0.6646 2.3277 1.5821 0.7989 0.7868
[SP (14:0)] 1-deoxy-tetradecasphinganine NA 0.3107 0.3945 0.1305 0.1833 0.1701 0.1942 0.1848 0.2094 0.3528 0.2667 6.0297 0.2264 0.2870 0.2925 0.2856 1.0833 0.4677 0.2633
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 0.9614 1.2244 1.4463 0.9841 1.0104 0.9379 0.8526 0.8074 0.8259 0.9696 0.9726 0.9640 0.9773 1.0001 0.8234 1.1350 1.0085 1.1774 0.9773
[SP] 1-deoxy-sphinganine 1.1650 0.5906 1.1466 1.2575 1.2594 0.9352 0.8807 1.0643 0.8254 0.8812 0.9599 1.0439 1.1129 1.1980 1.1447 0.4439 0.4224 1.1806 1.1990
Sphinganine 1.1200 1.0747 0.4030 0.9553 1.6226 0.9585 0.8381 1.3253 0.9352 0.8525 0.5951 0.8585 0.7395 1.0861 0.8752 1.3036 1.3090 0.8160 1.2775
Sphingomyelin(d18:1/12:0) 0.7802 0.9909 1.3370 1.0138 0.7574 1.0085 1.1112 0.8589 1.1282 1.1130 1.0126 1.0172 1.1354 0.9279 0.8258 0.8192 1.0267 1.5729 0.8049
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganine 1.0024 1.2490 1.6502 0.9459 1.0081 0.8873 0.8453 0.8442 0.7204 0.9780 0.9108 0.8695 0.8598 1.0454 0.7506 1.1142 1.2093 1.2621 1.0035
S-Sulfo-L-cysteine 0.1184 0.9210 0.9699 1.5665 0.4325 2.3203 1.6971 1.0223 1.1972 1.5902 2.3687 0.6168 1.2757 0.2071 0.8076 0.6411 0.7550 0.4763 0.1035
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 0.8721 1.8216 1.0413 0.8125 1.0000 1.3026 0.9225 0.9386 1.0971 0.8831 0.5778 0.4946 0.5083 0.8323 0.5997 1.8596 1.5534 1.4114 0.8981
[ST hydrox] 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid 1.0436 1.6434 1.1652 0.8428 1.0540 0.7097 1.0406 1.0002 0.9734 0.9093 0.5704 1.0124 0.7513 1.1020 0.8949 1.3093 1.5378 0.8421 0.7924
Succinate 1.6843 0.9894 0.7022 1.2600 0.8735 0.6300 0.7969 0.7082 0.9019 1.0377 0.9002 0.9580 0.9582 1.0591 1.0146 0.6357 0.8913 1.3309 1.4191
Succinate semialdehyde 1.0188 0.8425 0.8897 1.3377 0.7633 1.0374 0.9344 0.8442 0.9331 1.1291 1.3355 1.1456 1.1937 0.9682 0.8999 0.8048 0.9533 0.7795 1.0063
Taurine 1.3379 1.1489 0.7597 0.8660 1.0594 0.9293 0.9730 0.9225 0.9410 0.9708 0.8521 0.6898 0.6613 1.6554 0.7184 0.9977 1.1328 0.8231 1.4410
Terephthalate 0.9170 1.0869 1.2378 0.7406 0.7390 0.7688 1.0614 0.9428 1.0292 1.1361 0.9461 0.9133 1.0072 1.1033 0.7815 1.2301 1.3874 1.3026 1.0007
Tetracosanoic acid 0.9466 1.1013 1.1604 0.9831 1.0357 1.2445 0.8448 1.0130 0.8092 0.9856 0.9984 1.0799 0.8529 0.9481 1.0419 0.7312 0.7278 1.1161 1.2265
Tetradecanoic acid 0.8852 0.9619 0.7495 0.5684 1.4095 0.7560 0.7090 0.6106 0.7461 0.9126 1.0958 1.5233 1.0486 1.0488 1.1340 1.2523 1.1054 0.6775 1.4964
Tetraethylammonium 1.0552 1.2837 1.6173 0.6312 1.0548 1.1573 1.3424 0.7334 0.8749 1.2064 0.5936 0.7649 0.9257 1.0257 0.5209 0.9331 1.1661 1.3374 1.0790
Thiamin 1.0862 0.7713 2.6086 1.0373 1.0206 0.9955 0.9781 0.6963 1.0198 0.7225 0.9934 0.9028 1.1906 1.0374 0.9811 0.6500 0.6095 0.8236 0.9025
Thiamin diphosphate 1.2200 1.1104 1.0821 0.8465 1.2661 0.5898 0.7790 0.9271 0.9037 0.9006 0.7417 0.9865 0.9184 1.3183 1.0545 1.1775 1.1840 0.6845 1.2189
Thymidine 0.2062 0.3071 0.2848 0.4443 0.5293 0.6909 0.4954 0.3676 0.4118 0.4511 4.9513 1.9377 3.3397 0.2745 2.0916 0.2730 0.2832 0.2106 0.1445
trans-2-Hydroxycinnamate 0.4389 0.4584 0.5723 1.1489 1.2757 1.2364 1.5186 1.0264 1.0293 0.8588 1.8333 0.8648 1.6172 0.4964 1.9476 0.8446 0.5275 0.6874 0.3837
Tributyl phosphate 0.6949 1.1602 1.3235 0.8437 1.2753 1.1098 0.8991 0.6866 0.9511 1.2986 1.4212 1.1153 0.8616 0.8877 0.3974 0.3932 1.9130 0.5084 0.8258
Tridecanoylglycine NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.5576 NA 0.1636 NA
Trimethylaminoacetone 0.8974 1.3066 1.1233 0.7241 0.7851 0.8094 1.0540 0.8362 0.9963 1.1999 0.8629 0.9775 0.9211 0.9793 0.8097 1.3484 1.5048 1.2256 0.9605
tropine 0.8318 1.2478 1.1583 0.8071 0.8099 0.8883 1.0044 0.7823 1.0105 1.0958 1.0156 0.8045 0.8630 0.9140 0.7685 1.4378 1.5867 1.5494 0.8305
Trp-Trp-Tyr-Tyr 0.4298 1.0033 1.0428 1.1756 0.8133 1.6550 1.3555 0.8569 1.0818 1.2851 1.8273 0.8230 1.3898 0.5742 0.9185 0.8207 0.9912 0.7046 0.2862
Trypanothione disulfide 1.2212 1.0269 1.3057 1.0184 0.9244 0.6342 0.8191 1.2477 1.0188 0.9393 0.6285 1.0371 1.1312 1.2127 1.2028 0.7385 0.7091 0.9036 1.2010
UDP 1.2571 0.9334 0.7928 1.1298 0.9648 0.5788 0.9475 1.0035 1.1174 1.0946 0.7295 0.9865 1.1592 1.2196 1.0486 0.9711 0.8781 0.9677 1.1631
UDP-glucose 0.9712 0.9309 1.6574 1.1873 1.3423 0.7659 0.9351 0.9561 0.8607 1.0240 0.7509 0.9456 1.0412 0.9471 1.0900 0.8945 0.8831 0.9724 0.8900
UDP-N-acetyl-D-glucosamine 0.9668 1.0835 1.4790 0.9675 1.5031 0.6643 0.8936 0.9549 0.8983 0.9369 0.7234 0.8669 0.9844 1.1535 0.9883 1.0218 0.9794 1.0195 0.9609
UMP 1.3971 0.4648 0.4410 0.7947 0.5817 0.2218 0.5038 0.5123 0.9238 0.8918 1.5186 2.0295 1.3004 0.7587 1.4296 0.9037 0.6503 0.7032 2.3555
Uracil 1.4767 0.4668 0.6183 0.8062 0.4932 0.4397 0.6580 0.6652 0.9490 1.0161 1.3361 1.6466 1.3983 0.7473 1.3704 0.8106 0.7694 0.5401 2.2987
Urate 0.2816 0.8466 0.8956 1.5016 0.8996 2.0380 1.4891 1.0934 1.1809 1.4538 1.9918 0.7022 1.3071 0.4379 0.8516 0.5556 0.6748 0.5573 0.2165
Urocanate 0.8176 1.2477 0.9605 0.7938 0.7315 0.9493 0.9532 0.8030 0.9217 1.1919 1.0225 1.2647 0.9540 0.9763 0.6727 1.3548 1.5171 1.0917 0.9742
UTP 0.6974 1.2787 1.3995 0.9790 1.6480 1.0260 1.1392 1.6023 1.0369 0.8616 0.3442 0.5281 0.7986 1.5213 0.9632 0.7928 0.9076 1.0942 0.5899
Val-Arg 0.9905 1.1388 1.5907 2.2104 0.6442 0.7579 1.1993 1.5598 1.4355 1.6078 0.3150 0.4721 0.4028 0.5927 0.5232 0.8939 0.8669 1.8389 0.7079
Xanthine 0.7582 0.1880 0.5545 1.0991 1.1158 0.6617 0.5263 0.4558 0.9149 0.9667 2.0464 1.8002 1.5048 0.2314 1.3321 0.6251 0.7684 0.3261 2.4090
Xanthosine 5^-phosphate 1.2955 1.0393 1.5796 0.7794 1.1288 0.7735 0.9511 1.4924 0.8153 0.7480 0.4147 0.7431 0.7620 1.1379 1.0884 0.5418 0.4493 1.6574 1.6614
(Z)-2-Methyl-5-isopropylhexa-2,5-dienal 1.1741 1.2242 0.7666 0.8612 0.9168 1.0203 0.9905 0.9064 1.0602 1.1232 0.6432 0.4090 0.6490 1.1934 0.6812 1.8776 1.0857 1.1765 1.3398
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Drug treatment:DMSO
F2Drug treatment:MMV099637
F3Drug treatment:MMV652003
F4Drug treatment:MMV676600
F5Drug treatment:MMV676604
F6Drug treatment:MMV687706
F7Drug treatment:MMV688179
F8Drug treatment:MMV688271
F9Drug treatment:MMV688279
F10Drug treatment:MMV688467
F11Drug treatment:MMV688776
F12Drug treatment:MMV688796
F13Drug treatment:MMV688797
F14Drug treatment:MMV688798
F15Drug treatment:MMV688958
F16Drug treatment:MMV689028
F17Drug treatment:MMV689029
F18Drug treatment:MMV690027
F19Drug treatment:MMV690028
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