Data for (Study ST000539)
(Analysis AN000818)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| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|
| 10-Hydroxycarbazepine | 0.5537 | 1.1088 | 1.3391 | 0.5287 | 1.5143 | 0.6413 |
| 1,2,4-Trimethylbenzene | 0.9009 | 0.7093 | 1.3307 | 0.9447 | 1.2751 | 0.8393 |
| 1,2-dioctanoyl-1-amino-2,3-propanediol | 0.9515 | 1.0424 | 1.1222 | 0.9262 | 1.1139 | 0.8439 |
| 1(2H)-Isoquinolinone | 1.0247 | 1.2119 | 1.0420 | 0.7839 | 0.8919 | 1.0456 |
| 12-OPDA | 0.7156 | 1.0822 | 0.6600 | 1.3655 | 1.0362 | 1.1406 |
| 1-5-diazabicyclononane | 3.3554 | 0.5927 | 0.4898 | 0.5279 | 0.4409 | 0.5933 |
| 1-5-diazabicyclononane 2 | 3.3554 | 0.5927 | 0.4898 | 0.5279 | 0.4409 | 0.5933 |
| 1,6-anhydrous-N-Acetylmuramyl-tetrapeptide | 1.0223 | 1.1293 | 0.8484 | NA | NA | NA |
| 1-deoxynojirimycin | 1.1271 | 0.9122 | 0.7684 | 1.0080 | 1.1314 | 1.0530 |
| 1-deoxyxylonojirimycin | 0.1166 | 0.1278 | 0.1383 | 1.7365 | 1.8601 | 2.0207 |
| 1-Methylnicotinamide | 1.3286 | 1.5460 | 1.6216 | 0.4514 | 0.5294 | 0.5229 |
| 1-Nitronaphthalene | 0.4179 | 1.0105 | 0.5407 | 3.1927 | 0.0940 | 0.7442 |
| 2,3,4,5-Tetrahydrodipicolinate | NA | NA | NA | 1.1959 | 0.6462 | 1.1580 |
| 2,3,4,5-Tetrahydropyridine-2-carboxylate | 0.9210 | 1.0874 | 0.9393 | 0.9006 | 0.8428 | 1.3088 |
| 2,3-Dimethylmaleate | 0.8363 | 0.7526 | 1.5056 | 0.7289 | 0.7757 | 1.4010 |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate | 0.8739 | 1.0548 | 0.8649 | 0.9445 | 1.0372 | 1.2246 |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 2 | 0.8739 | 1.0548 | 0.8649 | 0.9445 | 1.0372 | 1.2246 |
| 2-Aminobutan-4-olide | 0.5626 | 0.5863 | 0.7787 | 1.0601 | 1.1985 | 1.8139 |
| 2-Dehydro-3-deoxy-L-rhamnonate | 1.2078 | 0.9113 | 1.0463 | 0.6152 | 1.0585 | 1.1609 |
| 2-Methylcholine | 0.4896 | 0.9316 | 1.9401 | 0.3230 | 1.4435 | 0.8723 |
| 2-monooleoylglycerol | 1.9472 | 0.5260 | 0.9556 | 0.4306 | 1.4473 | 0.6933 |
| 2-Phenyl-1,3-propanediol monocarbamate | 0.3586 | 0.4301 | 0.9717 | 1.3005 | 1.2590 | 1.6801 |
| 3,4-Dehydrothiomorpholine-3-carboxylate | 1.7591 | 1.0994 | 1.2939 | 0.7318 | 0.2889 | 0.8270 |
| 3,4-Dehydrothiomorpholine-3-carboxylate 2 | 1.7591 | 1.0994 | 1.2939 | 0.7318 | 0.2889 | 0.8270 |
| 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene | 0.8688 | 0.7284 | 1.2995 | 0.9418 | 1.3840 | 0.7775 |
| 3,5-dihydro-5-methylidene-4H-imidazol-4-one | 0.2449 | 1.1158 | 0.2630 | 2.4623 | NA | 0.9141 |
| 3-(ADP)-2-phosphoglycerate | 0.2835 | NA | NA | 1.5952 | NA | 0.8825 |
| 3-beta-D-Galactosyl-sn-glycerol | 0.8695 | 1.0868 | 1.0437 | NA | NA | NA |
| 3-Butylidene-7-hydroxyphthalide | 1.9261 | 0.5217 | 0.6122 | 1.9857 | 0.3887 | 0.5656 |
| 3-Butynoate | 0.6778 | 0.7962 | 0.6790 | 1.2360 | 1.2619 | 1.3491 |
| 3-Dehydroteasterone | 2.1568 | 0.5605 | 0.8088 | 0.6695 | 1.1692 | 0.6353 |
| 3-(Dimethylamino)propyl benzoate | 0.5167 | 0.5850 | 0.4808 | 2.5708 | NA | 0.5403 |
| 3-Hydroxy-L-kynurenine | 0.3406 | 0.3660 | 0.4419 | 1.2924 | 0.6884 | 2.0338 |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 0.3192 | 0.3135 | 0.3015 | 1.7144 | 1.8251 | 1.5264 |
| 3-Methoxyanthranilate | 1.0361 | 1.2518 | 1.2674 | 0.7652 | 0.8161 | 0.8635 |
| 3-methyl-1-heptene | 1.3874 | 0.8745 | 0.6841 | 1.3677 | 0.9069 | 0.7794 |
| 3-Methylcrotonylglycine | 0.2909 | 0.5196 | 0.7017 | 0.2120 | 3.4361 | 0.6034 |
| 3-Methyleneoxindole | 0.5316 | 0.7956 | 0.6388 | 2.7774 | 0.5510 | 0.7057 |
| 3-nitro-2-pentanol | 1.2542 | 1.6571 | 0.6939 | 1.0811 | 0.4602 | 0.8534 |
| 3-Nitrotyrosine | NA | NA | NA | NA | NA | 1.0000 |
| 4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ester | 0.9503 | 1.1844 | 0.8685 | 1.0624 | 0.6636 | 1.2707 |
| 4,6-Dihydroxyquinoline | NA | NA | 0.7364 | 0.1269 | 2.0877 | 1.0491 |
| 4-8dimethylnonanoylcarnitine | 1.1144 | 1.1023 | 1.0321 | 0.7534 | 0.7342 | 1.2637 |
| 4-Aminobutanal | 0.9049 | 0.8884 | 0.8636 | 1.2333 | 0.9916 | 1.1181 |
| 4-Aminobutanoate | 0.5915 | 0.6076 | 0.6283 | 1.4011 | 1.3817 | 1.3897 |
| 4-Guanidinobutanal | 0.9799 | 1.0717 | 0.9523 | 0.9782 | 1.0442 | 0.9736 |
| 4-Hydroxy-4-methylglutamate | 0.5807 | 0.6451 | 0.6633 | 1.2180 | 1.3759 | 1.5169 |
| 4-Hydroxycinnamyl aldehyde | 1.7468 | 0.1256 | 0.6150 | 0.1634 | 1.3040 | 1.7664 |
| 4-Imidazolone-5-propanoate | 0.2431 | 0.3190 | 0.3170 | 1.5920 | 1.7906 | 1.7384 |
| 4-PIOL | 0.9199 | 0.8968 | 1.0611 | 0.8542 | 1.2321 | 1.0359 |
| 4-Trimethylammoniobutanoate | 1.2084 | 1.4061 | 1.4323 | 0.6317 | 0.6758 | 0.6457 |
| 5,6-Dihydrothymine | 0.4845 | 0.5692 | 0.5123 | 1.4873 | 1.4140 | 1.5327 |
| 5,6-Dihydrothymine 2 | 0.4845 | 0.5692 | 0.5123 | 1.4873 | 1.4140 | 1.5327 |
| 5,8,13,13a-Tetrahydrocolumbamine | 0.7280 | 1.2056 | 1.0775 | 0.8165 | 0.9345 | 1.2379 |
| 5-Aminopentanamide | 0.6844 | 0.6912 | 0.8108 | 1.1052 | 1.3639 | 1.3444 |
| 5-Guanidino-2-oxopentanoate | 0.8679 | 0.9498 | 0.9133 | 1.0827 | 1.0938 | 1.0925 |
| 5-guanidino-3-methyl-2-oxo-pentanoate | 1.2752 | 1.3286 | 0.6603 | 1.7306 | 0.2001 | 0.8053 |
| 5-Hydroxytryptophol | 0.6314 | 0.7799 | 0.8775 | 0.7313 | 1.4147 | 1.5652 |
| 5-Methoxytryptophol | 0.7196 | 0.8511 | 0.7983 | 0.6782 | 1.3249 | 1.6278 |
| 5-Methylcytosine | 1.0617 | 1.2629 | 1.0884 | 0.7328 | 0.8186 | 1.0356 |
| 5-Methylthioadenosine | 0.7255 | 0.9629 | 0.8647 | 1.4167 | 0.6304 | 1.3999 |
| 5S-HETE di-endoperoxide | 0.3376 | 0.5163 | 1.0719 | 0.4769 | 3.0971 | 0.5003 |
| (+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol | 0.4253 | 0.8505 | 1.4717 | 1.2793 | 0.7789 | 1.1943 |
| (+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydro-1(2H)- naphthalenone | NA | 0.3144 | NA | 1.3790 | 0.5411 | 1.3084 |
| 6-Acetamido-2-oxohexanoate | 0.6101 | 1.3332 | 0.3019 | 1.1899 | 0.5870 | 1.9778 |
| 7,8-benzoflavone | 0.5917 | 1.0467 | 1.0491 | 0.9639 | 1.2547 | 1.0938 |
| 7alpha-Hydroxycholest-4-en-3-one | 0.7618 | 1.4516 | 0.6936 | 0.6146 | 0.5545 | 1.9239 |
| Acetone cyanohydrin | 0.6041 | 0.5744 | 0.6335 | 1.3114 | 1.3579 | 1.5188 |
| Acetylagmatine | NA | NA | NA | NA | NA | NA |
| Acetylcholine | 0.0018 | 0.0023 | 0.0026 | 2.1253 | 1.9090 | 1.9590 |
| Acetyl phosphate | 1.1626 | 0.8208 | 1.1274 | 1.1393 | 0.5406 | 1.2093 |
| Ac-Tyr-OEt | 0.9191 | 0.8416 | 0.9537 | 1.4445 | 0.8111 | 1.0300 |
| a Cysteine adduct | 1.7759 | 1.0322 | 1.2591 | 0.7597 | 0.4500 | 0.7230 |
| a Cysteine adduct 2 | 1.7759 | 1.0322 | 1.2591 | 0.7597 | 0.4500 | 0.7230 |
| Adenine | 0.8177 | 1.0798 | 0.8773 | 1.0849 | 0.8406 | 1.2997 |
| Ala-Ala-Ala | NA | NA | NA | NA | NA | NA |
| Ala-Asn-Gly | 1.0726 | 0.8308 | NA | 1.0640 | 0.5586 | 1.4741 |
| Ala-Asp-Asp-Gln | NA | NA | NA | 0.8716 | 1.1922 | 0.9362 |
| Ala-Asp-Cys-Gly | 0.6805 | 1.0362 | 0.8943 | NA | 1.0258 | 1.1502 |
| Ala-Asp-Cys-Ser | 0.3985 | 0.3926 | 0.3647 | 1.5934 | 1.5452 | 1.7055 |
| Ala-Asp-Gly | 1.2323 | 0.9659 | 1.0131 | 0.6588 | 1.0539 | 1.0761 |
| Ala-Asp-Gly 2 | 1.2323 | 0.9659 | 1.0131 | 0.6588 | 1.0539 | 1.0761 |
| Ala-Asp-Pro-Ser | NA | NA | NA | 1.0200 | NA | 0.9800 |
| Ala-Gln-Pro | NA | NA | NA | NA | 0.5924 | 1.2718 |
| Ala-Leu-Lys-Pro | 0.7258 | 0.7420 | 0.6212 | 1.1499 | 1.2178 | 1.5433 |
| Ala-Leu-Thr-Pro | 0.7140 | 1.0186 | 0.6041 | 1.7922 | 0.6686 | 1.2025 |
| Ala-Lys-Asn-His | 0.1771 | NA | 0.2362 | 1.2629 | 1.3880 | 1.4070 |
| Ala-Met-Pro-Tyr | NA | NA | NA | 0.9841 | 0.8444 | 1.1714 |
| Ala-Pro | 1.1266 | 1.4727 | 1.0851 | 1.4284 | 0.3113 | 0.5759 |
| Ala-Ser-Ser | 0.9453 | 1.0086 | 1.0462 | NA | NA | NA |
| Alatanin 2 | 1.8213 | 0.5948 | 0.7230 | 1.4285 | 0.6770 | 0.4203 |
| allopurinol | 0.7294 | 0.9065 | 0.7528 | 1.2172 | 1.1962 | 1.1979 |
| alpha-Methylstyrene | 1.0970 | 0.5878 | 1.3285 | 0.6514 | 1.5748 | 0.7605 |
| AMP | 1.1278 | 1.6256 | 1.4694 | 0.6391 | 0.5094 | 0.6288 |
| Anthranilate | 0.6914 | 0.8490 | 0.6867 | 1.1523 | 1.2608 | 1.3599 |
| Arg-Asn-Pro-His | 0.3986 | 0.4355 | 0.4578 | 1.2593 | 1.9279 | 1.5209 |
| Arg-Asp-Asp-Gly | 0.3127 | 0.2900 | 0.3350 | 1.3987 | 1.6729 | 1.9907 |
| Arg-Leu-Asn-Asp | 1.4482 | 0.9081 | 0.4655 | NA | NA | NA |
| Arg-Met-Asn-Gln | NA | NA | NA | NA | NA | NA |
| Arg-Met-Asn-His | NA | 0.8383 | 1.0539 | NA | NA | NA |
| Arg-Met-Val-Asp | NA | NA | NA | NA | NA | NA |
| Asn-Asn-Asn | 0.8065 | 1.3222 | 1.2643 | 0.5980 | 0.4535 | 1.5600 |
| Asn-Asn-Pro-His | 0.8539 | 1.0777 | 1.0587 | 1.3293 | NA | 0.6804 |
| Asn-Asp | 0.2552 | 0.3174 | 0.3130 | 1.1819 | 1.4266 | 1.3445 |
| Asn-Cys-Pro-Ser | NA | NA | NA | 1.0347 | 0.5931 | 1.3722 |
| Asn-Leu-Asn-Tyr | 1.8347 | 1.9110 | 2.0759 | 0.1012 | 0.0358 | 0.0413 |
| Asn-Pro | 1.5645 | 2.0981 | 1.9559 | 0.1199 | 0.1308 | 0.1308 |
| Asn-Tyr | 0.9530 | NA | NA | 1.0470 | NA | NA |
| Asp-Arg | 0.0648 | 0.1504 | 0.0876 | 1.3065 | 1.7869 | 1.3720 |
| Asp-Asp-Gly | 0.0924 | 0.0821 | 0.0910 | 2.4568 | 1.0301 | 2.2476 |
| Asp-Cys-Cys-Ser | 0.4369 | 0.3228 | 0.3845 | 1.2080 | 2.3480 | 1.2998 |
| Asp-Cys-Gln | 0.9049 | 1.0316 | 1.0223 | 1.1814 | 0.8296 | 1.0302 |
| Asp-Gly | NA | NA | NA | 0.7328 | 1.2170 | 1.0503 |
| Asp-Gly-Arg | 1.3209 | 1.3645 | 1.2423 | 0.7434 | 0.6802 | 0.6487 |
| Asp-Gly-Arg 2 | 1.3209 | 1.3645 | 1.2423 | 0.7434 | 0.6802 | 0.6487 |
| Asp-Gly-Pro | 1.0607 | 0.8232 | 0.8028 | 1.1039 | 0.9913 | 1.2181 |
| Asp-Gly-Pro-Ser | NA | NA | NA | 1.1838 | NA | 0.8162 |
| Aspidofractine | NA | NA | 0.2277 | NA | 1.3245 | 0.9329 |
| Asp-Leu-Ser-His | NA | NA | NA | NA | NA | NA |
| Asp-Met-Pro-Pro | NA | NA | NA | 0.3556 | 0.8745 | 1.3403 |
| Asp-Pro-Ser | 0.8159 | 0.8965 | 1.7145 | 0.5374 | 0.6381 | 1.3976 |
| ATP | 1.4446 | 1.0557 | 0.8870 | 1.3722 | 0.1774 | 1.0631 |
| Behenoylglycine | 0.7170 | 0.9664 | 0.8548 | 0.5918 | 1.2436 | 1.6264 |
| Bendiocarb | 0.6565 | 0.7798 | 0.8257 | 0.8723 | 1.2314 | 1.6343 |
| Benzimidazole | NA | NA | NA | NA | NA | NA |
| beta-Alanyl-L-arginine | 0.7594 | 1.0676 | 0.8758 | 0.5380 | 0.9382 | 1.6547 |
| beta-Carboline | 0.6470 | 2.2062 | 1.0608 | 0.4168 | 0.5085 | 1.1608 |
| beta-Citryl-L-glutamic acid | 0.0257 | 0.0220 | 0.0167 | 2.8531 | 0.5291 | 2.5534 |
| Betaine | 1.6532 | 1.7600 | 1.7192 | 0.2712 | 0.2797 | 0.3167 |
| Betaine aldehyde | 0.6886 | 0.7502 | 0.7143 | 1.2445 | 1.3770 | 1.2253 |
| Biotin amide | 0.8227 | 0.9907 | 1.1866 | NA | NA | NA |
| Bis(2-ethylhexyl)phthalate | 1.4116 | 0.8062 | 0.7040 | 1.3559 | 0.9024 | 0.8200 |
| Bis(glycerophospho)-glycerol | NA | NA | NA | 1.0104 | 0.8833 | 1.1063 |
| Boc-Asn | 0.2544 | 0.3285 | 0.2894 | 1.5089 | 0.8728 | 1.5760 |
| Butenylcarnitine | 0.8962 | 1.2281 | 1.0052 | 0.8309 | 0.7181 | 1.3215 |
| Calophyllin B | 0.0593 | NA | 0.2609 | NA | 1.9422 | 1.7376 |
| Carnosine | NA | 0.0544 | 0.0428 | 1.6225 | 1.5640 | 1.7162 |
| Casein K | 1.8938 | 1.4464 | 0.9028 | 1.0196 | 0.1957 | 0.5417 |
| Casein K 2 | 1.8938 | 1.4464 | 0.9028 | 1.0196 | 0.1957 | 0.5417 |
| CDP-choline | 0.0455 | 0.0514 | 0.0468 | 1.9648 | 1.7295 | 2.1619 |
| CDP-ethanolamine | NA | NA | NA | 0.9345 | 0.9699 | 1.0956 |
| CDP-ribitol | NA | NA | NA | 0.9720 | 0.9142 | 1.1137 |
| Cerulenin | 1.4399 | 1.7081 | 1.6463 | 0.4180 | 0.4002 | 0.3874 |
| Chelilutine | 0.4178 | 0.9383 | 0.9401 | 0.7725 | 1.4509 | 1.4803 |
| Choline | 0.2083 | 0.2428 | 0.2456 | 1.7465 | 1.7552 | 1.8015 |
| Choline phosphate | 0.2211 | 0.2648 | 0.2352 | 1.8090 | 1.6376 | 1.8321 |
| cis-5-Tetradecenoylcarnitine | 0.7407 | 0.8573 | 0.7912 | 1.2363 | 1.3250 | 1.0495 |
| CMP | NA | NA | NA | 1.1500 | 0.8192 | 1.0308 |
| CMP-2-aminoethylphosphonate | 1.1545 | 1.2440 | 1.3000 | 0.6964 | 0.7340 | 0.8711 |
| CMP-N-trimethyl-2-aminoethylphosphonate | 1.5369 | 1.7177 | 1.7348 | 0.3378 | 0.3145 | 0.3583 |
| Codonopsine | 0.9544 | 1.6800 | 0.7704 | 0.5285 | 1.1608 | 1.0220 |
| Costunolide | 0.9906 | 1.3502 | 0.5717 | 1.2104 | 0.6739 | 1.2032 |
| Creatine | 0.8460 | 0.9066 | 0.9074 | 1.1238 | 1.0276 | 1.1885 |
| Creatinine | 0.7169 | 0.8324 | 0.8935 | 0.7573 | 1.6375 | 1.1624 |
| CTAB | 0.8034 | 1.0525 | 0.7231 | 1.1544 | 1.1002 | 1.1663 |
| CTP | NA | NA | NA | 1.1851 | NA | 0.8149 |
| Cyclo(deltaAla-L-Val) | 0.9081 | 0.9142 | 1.1376 | 0.7120 | 1.3327 | 0.9954 |
| cyclo-dopa 5-O-glucoside | NA | NA | NA | 1.0607 | 0.7734 | 1.1659 |
| Cyclopamine | 0.2617 | 0.2891 | 0.2073 | 4.6544 | 0.4302 | 0.1572 |
| Cys-Lys-Met-Gln | 0.7954 | 1.1978 | 1.0610 | 1.2183 | NA | 0.7275 |
| Cys-Met-Tyr-Tyr | 1.5774 | 1.1037 | NA | 1.3433 | 0.5837 | 0.3918 |
| Cys-Thr-Cys-Cys | NA | NA | NA | 0.5260 | 1.5853 | 0.8888 |
| d1-piperidine-dicarboxylate | 0.5723 | 1.0651 | 0.6414 | 1.1938 | 0.9220 | 1.6054 |
| D-2-Amino-hexano-6-lactam | 3.4651 | 0.5661 | 0.5468 | 0.4680 | 0.4818 | 0.4722 |
| Daminozide | 0.0715 | 0.0715 | 0.2855 | 0.0462 | 2.6311 | 2.2752 |
| Dasytrichone | 0.0878 | 0.0601 | 0.4560 | 0.0376 | 3.0313 | 2.3272 |
| Deacetoxycephalosporin C | NA | NA | NA | 0.8366 | 1.2280 | 0.9354 |
| Deoxyvasicinone | 0.3374 | 0.8965 | 0.3426 | 2.3558 | 0.4338 | 1.2565 |
| Dethiobiotin | 0.6853 | 0.8274 | 0.9194 | 1.1803 | 1.1641 | 1.2234 |
| D-Galactosamine | 0.9156 | 0.8737 | 1.0132 | 0.6922 | 0.9537 | 1.5517 |
| D-Galactosamine 2 | 0.9156 | 0.8737 | 1.0132 | 0.6922 | 0.9537 | 1.5517 |
| D-Glucosamine 6-phosphate | NA | NA | NA | 1.0881 | 0.9162 | 0.9957 |
| Diacetylhydrazine | 1.0392 | 0.9755 | 0.4845 | 2.5109 | 0.1267 | 0.8631 |
| Diacetylmonoxime | 0.6963 | 0.7233 | 0.9232 | 0.7376 | 1.1216 | 1.7980 |
| Diethanolamine | 2.5724 | 0.7010 | 0.6465 | 0.7691 | 0.6957 | 0.6153 |
| Diethanolamine 2 | 2.5724 | 0.7010 | 0.6465 | 0.7691 | 0.6957 | 0.6153 |
| dihydrocapsaicin | 0.7156 | 1.0743 | 0.2934 | 1.3314 | 0.4204 | 1.6939 |
| Dihydroneopterin phosphate | NA | NA | NA | 0.8224 | 0.5814 | 1.5963 |
| di-n-Undecylamine | 0.0629 | 0.4088 | 0.0470 | 1.6135 | 2.1504 | 1.7175 |
| DL-2-Aminooctanoicacid | 1.7342 | 1.8951 | 1.9172 | 0.1448 | 0.1558 | 0.1530 |
| DL-Methionine sulfone | 0.3259 | 0.2651 | NA | 1.6165 | 0.6995 | 1.3784 |
| DMNT | 0.9547 | 0.6863 | 1.1974 | 0.8580 | 1.4266 | 0.8769 |
| D-myo-Inositol 1,2-cyclic phosphate | 1.2275 | 1.2964 | 1.3490 | 0.4971 | 0.3150 | 1.3150 |
| Dopaminequinone | 0.8249 | 0.8388 | 1.1221 | 0.7729 | 1.3633 | 1.0781 |
| D-Pipecolicacid | 0.8430 | 0.9915 | 0.9383 | 1.0074 | 1.0642 | 1.1556 |
| Ectoine | 0.6604 | 1.0881 | 0.8552 | 1.4947 | 0.7473 | 1.1542 |
| Elaidiccarnitine | 1.7055 | 1.7634 | 1.9079 | 0.1927 | 0.2349 | 0.1955 |
| Epinephrinesulfate | 1.1104 | 0.9769 | 0.8691 | NA | NA | NA |
| Ergothioneine | 1.7289 | 1.9277 | 1.3371 | 0.0030 | 0.0034 | NA |
| Erythrulose 1-phosphate | 0.3155 | 0.3150 | 0.5362 | 1.3904 | 0.8867 | 2.0996 |
| [FA (14:2)] 5,8-tetradecadienal | 0.9105 | 0.7226 | 1.3228 | 0.7308 | 1.4641 | 0.8492 |
| [FA (20:2)] N-(11Z,14Z-eicosadienoyl)-ethanolamine | 0.3082 | 0.5492 | 0.4913 | 3.9694 | 0.4375 | 0.2443 |
| [FA (20:5)] 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid | 0.7563 | 0.9278 | 0.5399 | 1.4955 | 0.9771 | 1.3035 |
| [FA (5:2)] 2,4-pentadienoic acid | 0.9005 | 1.0831 | 1.0164 | NA | NA | NA |
| [FA (6:0)] O-hexanoyl-R-carnitine | 0.5033 | 0.4946 | 0.4838 | 1.6188 | 1.5115 | 1.3880 |
| [FA (8:2)] 2,4-octadienal | 0.9913 | 0.6724 | 1.2213 | 0.9260 | 1.2085 | 0.9804 |
| [FA amino(11:0)] 11-amino-undecanoic acid | 0.8467 | 0.9207 | 0.9522 | 0.9707 | 1.1300 | 1.1797 |
| [FA hydroxy(9:1)] 4-hydroxy-2-nonenal | 0.7585 | 0.8543 | 1.4513 | 0.5815 | 1.4749 | 0.8796 |
| [FA methyl(4:1)] 3-methyl-2-butenoic acid | 0.7015 | 0.8306 | 0.8037 | 1.1627 | 1.2179 | 1.2836 |
| [FA methyl,hydroxy,ethyl,dimethyl(22:4)] N-(2R-methyl-3-hydroxy-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine | 0.3615 | 0.8786 | 0.5902 | 1.8316 | 0.3531 | 1.2805 |
| [FA] O-Palmitoyl-R-carnitine | 1.5182 | 1.8806 | 1.8147 | 0.2763 | 0.2493 | 0.2609 |
| [FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2Z-pentenyl)-cyclopentaneoctanoic acid | 0.8368 | 1.1594 | 0.7259 | 1.1571 | 0.8145 | 1.3063 |
| [FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone | 0.6143 | 0.8062 | 0.8938 | 0.9870 | 1.1785 | 1.5202 |
| Fasoracetam | 0.9605 | 1.0830 | 1.1748 | 0.7136 | 1.0104 | 1.0577 |
| FMLP | 0.1168 | 0.1461 | 0.1265 | 2.5918 | 0.8978 | 0.9596 |
| Folate | 1.6093 | 0.9525 | 0.9520 | 0.9262 | 0.5487 | 1.0113 |
| Fructoselysine | 1.2170 | 1.1769 | 1.4507 | 1.0909 | 0.0791 | 0.9854 |
| Fructoselysine 2 | 1.2170 | 1.1769 | 1.4507 | 1.0909 | 0.0791 | 0.9854 |
| Fructoselysine 6-phosphate | 0.1523 | NA | NA | 1.0194 | 1.0252 | 1.2379 |
| Furfural | 0.8506 | 0.8615 | 1.3826 | 1.0034 | 0.8327 | 1.0693 |
| [Fv] Desmosdumotin C | 2.8637 | 0.0922 | 0.1014 | 2.8061 | 0.0523 | 0.0842 |
| [Fv] Homoflemingin | 0.8476 | 1.3085 | 1.1339 | 0.6486 | 1.1666 | 0.8948 |
| [Fv] Ovalitenin A | 0.6180 | 1.2346 | 1.2160 | 0.3190 | 1.4204 | 1.1921 |
| Gamma-Aminobutyryl-lysine | NA | NA | NA | NA | 0.5436 | 1.4564 |
| gamma-Glutamyl-beta-aminopropiononitrile | 0.8806 | 1.0465 | 0.9443 | 0.8382 | 0.8355 | 1.4548 |
| gamma-Glutamyl-beta-cyanoalanine | 0.2683 | 0.5228 | 1.0850 | 0.3558 | 1.4164 | 2.0336 |
| gamma-Glutamyl-Se-methylselenocysteine | 0.3050 | 0.2720 | 2.0767 | 0.5697 | 0.2882 | 1.7658 |
| GDP | 0.7792 | 0.6672 | 0.6294 | 1.8127 | 0.5982 | 1.5133 |
| Gentianaine | 0.4735 | 0.4960 | 0.8003 | 0.5753 | 1.5120 | 2.1430 |
| Glabranin | 0.3728 | 1.0530 | 1.2218 | NA | 1.2198 | 1.1325 |
| Glaucarubolone | 0.1150 | NA | 0.0759 | 0.9554 | 1.7584 | 1.1842 |
| Gln-Leu-Lys-His | NA | 0.1296 | 0.2157 | 0.0904 | 2.4747 | 0.9029 |
| Glu-Arg | 0.8665 | NA | NA | NA | 1.2176 | 0.9159 |
| Glu-Arg 2 | 0.8665 | NA | NA | NA | 1.2176 | 0.9159 |
| Glu-Asp | 0.0386 | 0.0436 | 0.0516 | 1.9186 | 1.7378 | 2.2098 |
| Glu-Glu-Glu | 0.6525 | 0.6468 | 0.5469 | 1.3665 | 0.5328 | 1.3295 |
| Glu-Gly | NA | NA | NA | 0.9861 | 1.0267 | 0.9872 |
| Glu-Lys-Val | 0.3785 | 0.5137 | 0.4177 | 1.5431 | 1.6300 | 1.5169 |
| Glu-Met-Thr | 0.2126 | 0.6351 | 1.0282 | 0.4890 | 1.7643 | 1.8707 |
| Glu-Pro | 0.3259 | 0.3452 | 0.3292 | 1.4958 | 1.6916 | 1.8123 |
| Glutathione disulfide | 1.1387 | 1.1274 | 0.9350 | 1.3223 | 0.4749 | 1.0018 |
| Glu-Thr | 1.0806 | 1.1301 | 1.1427 | 0.9534 | 0.8518 | 0.8414 |
| Glu-Val | 0.7238 | 0.7241 | 0.6505 | 1.2721 | 1.4130 | 1.2165 |
| Glycylprolylhydroxyproline | NA | NA | NA | NA | NA | NA |
| Gly-Pro-Ser | 0.6543 | 0.6170 | 0.8452 | 0.7422 | 1.1345 | 2.0067 |
| GTP | 0.3188 | NA | NA | 1.4749 | NA | 0.9793 |
| Guanidinoacetate | 0.8105 | 1.0014 | 0.9240 | 1.1786 | 0.9968 | 1.0886 |
| Gyromitrin | 1.0842 | 1.2633 | 1.2764 | 0.7654 | 0.9420 | 0.6687 |
| Heptadecanoylcarnitine | 1.4158 | 1.5463 | 1.5660 | 0.5415 | 0.3482 | 0.4293 |
| Hercynine | 1.9096 | 2.0070 | 0.6975 | 0.0438 | NA | 0.0132 |
| Hercynine 2 | 1.9096 | 2.0070 | 0.6975 | 0.0438 | NA | 0.0132 |
| Hexadecasphinganine | 0.4294 | 0.5610 | 0.7376 | 1.2866 | 1.3985 | 1.5869 |
| Hexanoylcarnitine | 0.4753 | 0.5389 | 0.5757 | 1.5458 | 1.4108 | 1.4536 |
| Hexanoylglycine | 1.7901 | 0.8316 | 0.9046 | 0.7402 | 0.7270 | 1.0065 |
| Homoarginine | 0.3043 | 0.3154 | 0.7839 | 0.6533 | 2.1484 | 1.7947 |
| Homocystine | NA | NA | NA | 0.5931 | 0.9964 | 1.2088 |
| Homostachydrine | 1.1957 | 1.6008 | 1.4538 | 0.0592 | NA | 0.0652 |
| Hydroxybutyrylcarnitine | 1.2426 | 1.4170 | 1.5064 | 0.5880 | 0.5845 | 0.6615 |
| Hypaphorine | 1.6983 | 2.1583 | 1.7557 | 0.1457 | 0.1135 | 0.1285 |
| Hypoxanthine | 0.6626 | 1.1629 | 0.8753 | 1.1857 | 1.3294 | 0.7841 |
| Ile-Met-Met-Thr | 1.0174 | 0.8652 | 1.0215 | 1.0698 | NA | 1.0260 |
| Ile-Pro | 1.0220 | 1.2067 | 1.1318 | 0.8318 | 0.8733 | 0.9344 |
| Imidazole-4-acetaldehyde | 1.0700 | 0.9903 | 0.9814 | 0.9969 | 0.9236 | 1.0377 |
| Imidazole-4-acetate | 1.0332 | 1.3313 | 1.2618 | 0.7700 | 0.8265 | 0.7772 |
| Imidazole lactate | 0.9574 | 1.0725 | 1.1107 | 0.9324 | 0.8073 | 1.1198 |
| Indole | 1.0576 | 1.1551 | 1.1237 | 0.8215 | 0.7709 | 1.0713 |
| Indole 2 | 1.0576 | 1.1551 | 1.1237 | 0.8215 | 0.7709 | 1.0713 |
| Indole-3-acetamide | 0.2650 | 0.8384 | 0.5366 | 2.3864 | NA | 0.8191 |
| indole-3-acetonitrile oxide | 0.4108 | 0.7843 | 0.3984 | 2.5328 | 0.2325 | 1.6411 |
| Indoleacrylicacid | 1.6774 | 2.2201 | 1.7395 | 0.1202 | 0.1189 | 0.1239 |
| Indoleamine | 0.9405 | 1.1248 | 1.2113 | 0.6650 | 1.4768 | 0.5816 |
| Iridodial | 0.5743 | 0.5611 | 1.4679 | 1.1307 | 1.5429 | 0.7232 |
| Isopyridoxal | 0.9209 | 1.1574 | 0.9434 | 0.9202 | 0.9951 | 1.0630 |
| Isoquinoline | 0.9120 | 1.1047 | 0.9833 | NA | NA | NA |
| Isovalerylalanine | 0.9154 | 0.8961 | 0.8836 | 0.8237 | 0.9226 | 1.4863 |
| (-)-jasmonoyl-L-isoleucine | NA | 0.5637 | NA | 1.5322 | NA | 0.9041 |
| ketoconazol | NA | 0.6652 | NA | 1.2477 | NA | 0.7958 |
| L-1-Pyrroline-3-hydroxy-5-carboxylate | 1.2146 | 0.9974 | 1.1838 | 0.5638 | 0.9828 | 1.0576 |
| L-1-Pyrroline-3-hydroxy-5-carboxylate 2 | 1.2146 | 0.9974 | 1.1838 | 0.5638 | 0.9828 | 1.0576 |
| L-2-Amino-6-oxoheptanedioate | 0.6842 | 1.2920 | 1.0754 | 1.3978 | 0.6605 | 1.1395 |
| Lactosamine | 0.5856 | 0.8386 | 1.8268 | 0.5113 | 0.3783 | 1.8595 |
| L-a-glutamyl-L-Lysine | NA | 0.0698 | NA | 1.0889 | 1.1304 | 1.0907 |
| L-Alanine | 0.8277 | 0.8181 | 0.8026 | 1.1746 | 1.1100 | 1.2670 |
| L-Arginine | 1.0620 | 0.9442 | 0.9527 | 0.9226 | 1.0398 | 1.0787 |
| L-Asparagine | 0.7763 | 0.7317 | 0.7163 | 1.2330 | 1.2494 | 1.2934 |
| L-Carnitine | 1.3251 | 1.3713 | 1.4404 | 0.6111 | 0.5792 | 0.6730 |
| L-Citrulline | 1.6101 | 1.9403 | 1.9956 | 0.1861 | 0.1371 | 0.1307 |
| Leu-Ala | 1.6840 | 2.1036 | 2.0340 | 0.0551 | 0.0610 | 0.0623 |
| Leu-Asn-Ser | 0.8337 | NA | 0.4077 | NA | NA | 1.4625 |
| Leu-Asp | 0.3823 | 0.5726 | 0.6008 | 1.5814 | 1.4182 | 1.4446 |
| Leu-Asp-Gln | NA | NA | 0.7130 | NA | 0.6388 | 1.7917 |
| Leucyl-leucine | 1.1482 | 0.7508 | 0.9856 | 0.7194 | 1.1087 | 1.2873 |
| Leu-Gly-Ser | NA | NA | 1.0000 | NA | NA | NA |
| Leu-Leu-Pro | 1.0740 | 1.0392 | 0.9280 | 0.9548 | 0.9807 | 1.0232 |
| Leu-Lys-Asp | 1.5880 | 1.8083 | 1.8206 | 0.2884 | 0.2432 | 0.2515 |
| Leu-Lys-Pro | 1.4928 | 1.5677 | 1.6147 | 0.3943 | 0.5100 | 0.4205 |
| Leu-Pro | 1.1425 | 1.2505 | 1.2929 | 0.7108 | 0.7590 | 0.8443 |
| Leu-Ser | 0.3100 | 0.5534 | 0.7774 | 0.3586 | 1.8279 | 1.4150 |
| Leu-Thr-Thr | NA | NA | NA | NA | 0.5432 | 1.4568 |
| Leu-Val-Gly | NA | NA | NA | 1.4868 | 0.1457 | 1.3675 |
| L-Glutamate | 0.9793 | 0.9151 | 0.9772 | 1.0695 | 0.9486 | 1.1103 |
| L-Glutamate methylester | NA | 0.3594 | 0.4298 | 0.4331 | 1.4053 | 1.9944 |
| L-Glutamine | 0.6923 | 0.5949 | 0.6245 | 1.4017 | 1.2968 | 1.3898 |
| L-glycyl-L-hydroxyproline | 0.8509 | 0.9610 | 0.7841 | 0.9526 | 1.4704 | 0.9810 |
| L-Histidine | 1.0888 | 1.0881 | 1.0708 | 0.8147 | 0.9927 | 0.9449 |
| L-Homocitrulline | 0.9658 | 1.1057 | 0.9285 | NA | NA | NA |
| L-Homocitrulline 2 | 0.9658 | 1.1057 | 0.9285 | NA | NA | NA |
| Lichenin | 0.9116 | 1.0091 | 1.0918 | 0.7489 | 0.9179 | 1.3207 |
| Linamarin | 1.5936 | 1.5840 | 1.6483 | 0.3024 | 0.2411 | 0.3776 |
| Linatine | 1.2863 | 1.0556 | 0.8921 | 1.2903 | 0.1066 | 1.0714 |
| L-Indospicine | 1.6766 | 2.1139 | 0.8648 | 0.8840 | 0.1594 | 0.3014 |
| Linoelaidylcarnitine | 1.7153 | 1.7566 | 1.9188 | 0.1933 | 0.2463 | 0.1697 |
| L-Kynurenine | NA | 0.3872 | 0.7348 | 0.6157 | 1.7165 | 1.3201 |
| L-Leucine | 0.9156 | 1.0503 | 0.9808 | 0.9316 | 0.9935 | 1.1282 |
| L-Lysine | 0.9024 | 0.8231 | 0.8529 | 1.0578 | 1.2086 | 1.1552 |
| L-Lysine 1,6-lactam | 0.2499 | 0.2244 | 1.0406 | 0.2242 | 2.3604 | 1.9005 |
| L-Methionine | 1.0352 | 1.3054 | 1.1791 | 0.8967 | 0.6663 | 0.9173 |
| L-Methionine S-oxide | 0.5449 | 0.7031 | 0.8556 | 0.9438 | 1.6779 | 1.2747 |
| Lophophorine | 1.3168 | 1.5630 | 0.5871 | 0.3229 | NA | 0.9768 |
| L-Ornithine | 0.8777 | 0.9706 | 0.8688 | 0.9882 | 1.2415 | 1.0531 |
| L-Phenylalanine | 1.0003 | 1.2707 | 1.1438 | 0.7736 | 0.8667 | 0.9450 |
| L-Pipecolate | 0.9451 | 1.0061 | 0.9783 | 0.3617 | 1.9050 | 0.8037 |
| L-Pipecolate 2 | 0.9451 | 1.0061 | 0.9783 | 0.3617 | 1.9050 | 0.8037 |
| L-Proline | 0.9969 | 1.0223 | 0.9677 | 0.9374 | 1.0831 | 0.9927 |
| L-proline amide | 0.4114 | 0.7223 | 0.9888 | 0.3955 | 1.7583 | 1.7237 |
| L-Serine | 0.7399 | 0.8061 | 0.7592 | 1.2386 | 1.1741 | 1.2821 |
| L-thiazolidine-4-carboxylate | 1.4003 | 1.3636 | 0.7570 | 0.5249 | 0.6677 | 1.2866 |
| L-Tryptophan | 1.0528 | 1.2334 | 1.1070 | 0.7676 | 0.8423 | 0.9970 |
| L-Tyrosine | 1.0629 | 1.0712 | 1.0519 | 0.8825 | 0.9556 | 0.9759 |
| L-Tyrosyl-L-arginine | NA | NA | NA | 1.0088 | 1.0569 | 0.9343 |
| L-Valine | 1.0431 | 1.0766 | 1.0752 | 0.8153 | 1.0249 | 0.9650 |
| Lys-Asn-Gly | 0.1277 | NA | 0.1513 | 1.2787 | 1.4183 | 1.1596 |
| Lys-Asp-Gly | 0.7982 | 1.0073 | 1.0956 | 0.8823 | 1.1726 | 1.0439 |
| Lysergic acid | 1.2113 | 1.3448 | 1.2400 | 0.6080 | 1.1910 | 0.4049 |
| Lys-Lys-Met-Pro | 1.5015 | 0.9361 | 0.2046 | 1.5863 | 0.7974 | 0.1271 |
| LysoPC(17:0) | 0.9973 | 0.9527 | 1.0400 | 1.1066 | 0.8728 | 1.0306 |
| LysoPC(18:0) | 1.0517 | 0.9602 | 1.0489 | 1.0123 | 0.9255 | 1.0015 |
| LysoPC(18:1(9Z)) | 0.9368 | 0.9595 | 0.9327 | 1.2615 | 0.8622 | 1.0472 |
| LysoPC(20:1(11Z)) | 1.1241 | 0.9814 | 1.1910 | 0.9779 | 0.7890 | 0.9366 |
| LysoPC(20:4(5Z,8Z,11Z,14Z)) | 0.5000 | 0.4790 | 0.4536 | 2.2104 | 1.0887 | 1.2682 |
| LysoPC(22:4(7Z,10Z,13Z,16Z)) | 0.4304 | 0.3520 | 0.3906 | 2.5589 | 0.9925 | 1.2756 |
| LysoPC(O-18:0) | 0.8902 | 0.9244 | 0.9132 | 1.1141 | 1.0080 | 1.1500 |
| LysoPE(0:0/18:2(9Z,12Z)) | 0.7858 | 0.7870 | 0.6381 | 1.7715 | 0.7510 | 1.2666 |
| LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 0.8507 | 0.5703 | 0.6864 | 2.5690 | 0.5482 | 0.7754 |
| LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) | 0.6088 | 0.4519 | 0.5134 | 2.1782 | 0.9991 | 1.2487 |
| LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 0.9519 | 0.6371 | 0.8196 | 1.7038 | 0.8534 | 1.0342 |
| LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.8898 | 0.6458 | 0.9012 | 1.7409 | 0.8826 | 0.9397 |
| Lys-Pro | NA | NA | NA | NA | 1.1828 | 0.8172 |
| Lys-Ser-Ser-Ser | NA | NA | NA | NA | NA | NA |
| Lys-Trp-Asn | 0.3174 | 0.4916 | 0.4386 | 1.6610 | 1.3169 | 1.7745 |
| Lys-Val | 0.3950 | 0.4235 | 0.3994 | 1.4350 | 1.7651 | 1.5821 |
| Lys-Val-Val | 1.8878 | 1.9661 | 0.9749 | 0.6757 | 0.0967 | 0.3988 |
| Maleimide | NA | NA | 0.2142 | 0.8984 | 0.8515 | 1.5120 |
| Maltose | NA | NA | NA | 1.0821 | 0.7852 | 1.1327 |
| Medicagol | 1.3721 | 0.8577 | 0.7752 | 1.2328 | 0.8892 | 0.8731 |
| metabolite 1 | 0.9294 | 1.0090 | 0.7793 | 1.2044 | 0.9647 | 1.1131 |
| metabolite 2 | 1.0051 | 0.7919 | 1.0331 | 1.4691 | 0.7595 | 0.9412 |
| metabolite 3 | 0.3551 | 0.3403 | 1.5704 | 0.8596 | 0.6670 | 2.2077 |
| metabolite 4 | 0.7655 | 1.7967 | 0.8730 | 0.8087 | 1.0887 | 0.6673 |
| Met-Ala-Gly | 0.7645 | 0.9174 | 1.3181 | NA | NA | NA |
| Met-Ala-Tyr | NA | NA | NA | NA | NA | NA |
| Met-Asp-Gly | NA | NA | 1.0319 | NA | 1.0009 | 0.9672 |
| Met-Gly | NA | NA | 0.4221 | 0.5995 | 1.8066 | 1.1718 |
| methiin | 0.8768 | 0.7820 | 0.7764 | 1.0289 | 1.2659 | 1.2701 |
| Methyl 2-diazoacetamidohexonate | 0.8508 | 0.9396 | 1.2096 | NA | NA | NA |
| Methyl cinnamate | 1.7723 | 0.3539 | 0.4995 | 0.3643 | 1.2248 | 1.7852 |
| Met-Met-Gln | NA | NA | NA | 1.0843 | NA | 0.9157 |
| Met-Met-Met | 0.6021 | 0.7259 | 0.8696 | 0.3119 | 2.2769 | 1.2137 |
| Met-Met-Val | 1.3150 | 1.0736 | 1.0047 | 1.3739 | 0.1239 | 1.1089 |
| Met-Thr-Asp | 0.3948 | 0.5254 | 0.5303 | 1.5625 | 1.4092 | 1.5778 |
| Met-Trp-Trp-Tyr | NA | NA | 0.9599 | NA | NA | 1.0401 |
| mildronate | 0.2961 | 0.3569 | 0.3899 | 1.3295 | 1.9358 | 1.6918 |
| N1-Methyl-2-pyridone-5-carboxamide | 0.9739 | 1.1081 | 1.0802 | 0.8276 | 0.9009 | 1.1093 |
| N1-Methyl-4-pyridone-5-carboxamide | NA | NA | 0.9343 | NA | 0.6871 | 1.3567 |
| N1,N8-diacetylspermidine | 0.2578 | 0.2986 | 0.1691 | 1.7430 | 1.4611 | 2.0704 |
| N-(2,3-Dihydroxybenzoyl)-L-serine | NA | NA | NA | 1.0311 | 0.9366 | 1.0323 |
| N2-Acetyl-L-lysine | 0.8531 | 0.9913 | 1.0956 | 0.9853 | 1.0009 | 1.0737 |
| N2-(D-1-Carboxyethyl)-L-arginine | 1.1753 | 1.2492 | 1.3636 | 0.6702 | 0.6655 | 0.8762 |
| N2-(D-1-Carboxyethyl)-L-lysine | 0.6907 | 0.7184 | 0.6410 | 1.3903 | 1.0510 | 1.5087 |
| N2-Succinyl-L-arginine | 0.8363 | 0.5149 | 0.6604 | 0.4095 | 1.5835 | 1.2784 |
| N2-Succinyl-L-ornithine | 0.4322 | 0.5019 | 0.4476 | 1.5298 | 1.4403 | 1.6482 |
| N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate | 1.0440 | 1.1309 | 1.1007 | 0.7744 | 0.6720 | 1.2781 |
| N-(3-acetamidopropyl)-4-aminobutanal | 0.0943 | 0.0944 | 0.1694 | 0.2226 | 4.1538 | 1.2655 |
| N-(3-Oxooctanoyl)homoserine lactone | NA | 0.4514 | NA | 1.5512 | NA | 0.6317 |
| N4-Acetylaminobutanal | 0.5301 | 0.5374 | 1.2756 | 0.4853 | 2.5058 | 0.6657 |
| N5-acetyl-N5-hydroxy-L-ornithine | 0.2107 | 0.2950 | 1.0497 | 0.1504 | 1.7806 | 2.5136 |
| N5-(L-1-Carboxyethyl)-L-ornithine | 0.9457 | 1.3682 | 1.0436 | 0.6957 | 0.7528 | 1.1940 |
| N6-Acetyl-L-lysine | 0.9563 | 1.2955 | 1.2289 | 0.8708 | 0.7867 | 0.8617 |
| N6-Acetyl-N6-hydroxy-L-lysine | 0.2242 | 0.2557 | 0.9173 | 0.8050 | 1.4544 | 2.3434 |
| N6-Acetyl-N6-hydroxy-L-lysine 2 | 0.2242 | 0.2557 | 0.9173 | 0.8050 | 1.4544 | 2.3434 |
| N6-Hydroxy-L-lysine | NA | NA | NA | 0.8726 | 1.1897 | 1.0641 |
| N6-Methyl-L-lysine | 0.4892 | 0.5164 | 0.5183 | 1.2727 | 1.6884 | 1.5149 |
| N6,N6-Dimethyladenosine | NA | NA | NA | 1.0451 | NA | 0.8646 |
| N6,N6,N6-Trimethyl-L-lysine | 0.2817 | 0.3337 | 0.3074 | 1.7350 | 1.6824 | 1.6599 |
| N-Acetyl-ala-ala-ala-methylester | NA | NA | NA | NA | NA | NA |
| N-Acetyl-aspartyl-glutamate | 1.0187 | 1.0787 | 0.8890 | NA | 0.8274 | 1.1863 |
| N-Acetyl-aspartyl-glutamate 2 | 1.0187 | 1.0787 | 0.8890 | NA | 0.8274 | 1.1863 |
| N-Acetyl-aspartyl-glutamate 3 | 1.0187 | 1.0787 | 0.8890 | NA | 0.8274 | 1.1863 |
| N-acetyl-demethylphophinothricin | 0.6543 | 1.2551 | 1.0859 | 1.0289 | 0.8515 | 1.1243 |
| N-acetyl -D- glucosaminitol | 1.1383 | 1.5429 | 1.3584 | 0.5524 | 0.6585 | 0.7495 |
| N-acetyl -D- glucosaminitol 2 | 1.1383 | 1.5429 | 1.3584 | 0.5524 | 0.6585 | 0.7495 |
| N-Acetylindoxyl | 1.2322 | 1.2543 | 1.2191 | 0.6904 | 0.8072 | 0.7967 |
| N-acetyl-(L)-arginine | 0.8044 | 0.6202 | 0.7919 | 1.0164 | 1.3055 | 1.4616 |
| N-Acetyl-L-citrulline | 1.2286 | 0.9779 | 1.2108 | 0.5711 | 1.0013 | 1.0103 |
| N-Acetyl-L-glutamate | 0.3875 | 0.4624 | 0.3999 | 1.5663 | 1.4186 | 1.7652 |
| N-Acetylornithine | 0.8917 | 1.0690 | 1.1190 | 0.8249 | 0.7624 | 1.3328 |
| N-Acetylputrescine | 0.4421 | 0.4381 | 0.3995 | 1.6271 | 1.6491 | 1.4440 |
| N-Acetylvanilalanine | NA | NA | NA | NA | NA | NA |
| NAD+ | 0.5052 | 0.4688 | 0.6246 | 1.4943 | 1.2332 | 1.6739 |
| NADP+ | 1.0607 | 1.0315 | 0.8731 | 1.2753 | 0.5748 | 1.1847 |
| N-Benzyloxycarbonylglycine | 1.0983 | 1.2652 | 0.5654 | 1.2728 | 0.8673 | 0.9310 |
| N-Carbamoyl-L-aspartate | 1.4862 | 1.5812 | 1.5063 | 0.4508 | 0.3910 | 0.5845 |
| N-Carbamyl-L-glutamate | 0.1803 | 0.2054 | 0.2269 | 1.6354 | 1.8165 | 1.9355 |
| N-Decanoylglycine | 1.1548 | 1.3810 | 0.8392 | 0.6008 | 0.6105 | 1.4137 |
| N-dimethylethanolamine | 0.8380 | 1.0129 | 1.0338 | 1.1917 | 0.9341 | 0.9893 |
| Ne,Ne dimethyllysine | 0.1703 | 0.1806 | 0.1692 | 1.8911 | 1.6678 | 1.9210 |
| Neopterin | 0.1197 | 0.0695 | 0.0800 | 1.2452 | 1.2391 | 1.4260 |
| N-Ethylglycocyamine | 0.4161 | 1.1125 | 1.5116 | 0.6169 | 0.6040 | 1.7389 |
| N-Ethylmaleimide | 0.7274 | 0.8582 | 0.7927 | 1.0680 | 1.2203 | 1.3333 |
| N-Ethylmaleimide 2 | 0.7274 | 0.8582 | 0.7927 | 1.0680 | 1.2203 | 1.3333 |
| N-ethylsuccinimide | 0.6648 | 0.6823 | 0.9711 | 0.5863 | 1.1569 | 1.9386 |
| N-Formimino-L-glutamate | 1.0765 | 1.1075 | 0.6309 | 1.5163 | 0.6533 | 1.0155 |
| NG,NG-Dimethyl-L-arginine | 0.2040 | 0.2126 | 0.1883 | 2.0030 | 1.7080 | 1.6841 |
| N-Heptanoylhomoserine lactone | 0.7791 | 0.9465 | 0.8444 | 1.4387 | 0.8672 | 1.1242 |
| N-hydroxyvaline | 0.4817 | 0.6216 | 0.5017 | 1.6920 | 1.0551 | 1.6480 |
| Nicotinamide | 1.0751 | 1.1533 | 1.2036 | 0.7418 | 0.9513 | 0.8749 |
| nicotinamide riboside | 0.8973 | 0.8787 | 0.7698 | 1.0860 | 0.9229 | 1.1425 |
| nitrocyclohexane | 0.7962 | 0.8096 | 1.0853 | 0.9581 | 1.1232 | 1.2277 |
| N,N-Dimethylglycine | 0.9203 | 1.0735 | 1.0388 | 0.9371 | 0.9854 | 1.0449 |
| N-Nonanoylglycine | 0.9388 | 1.1011 | 1.1555 | 1.4356 | 0.6158 | 0.7531 |
| N-(octanoyl)-L-homoserine | 1.2316 | 1.2965 | 1.1783 | 0.7630 | 0.7013 | 0.8292 |
| nornorcapsaicin | 1.1752 | 1.3470 | 0.7918 | 0.5535 | 0.6124 | 1.5201 |
| N-palmitoyl phenylalanine | 1.0879 | 0.9576 | 1.0214 | 0.4999 | 1.0912 | 1.3420 |
| N(pi)-Methyl-L-histidine | 0.9546 | 0.9956 | 1.0249 | 0.9364 | 1.0376 | 1.0510 |
| N-stearoyl histidine | 0.2166 | NA | NA | 1.5509 | 0.5764 | 1.1339 |
| N-stearoyl tyrosine | 1.1378 | 1.2544 | 1.5425 | 0.0678 | 0.0640 | NA |
| N-succinyl-L-citrulline | 0.3136 | 0.2890 | 1.0075 | 0.0847 | 1.1274 | 3.1778 |
| O-Acetylcarnitine | 0.6711 | 0.7635 | 0.7121 | 1.2395 | 1.2194 | 1.3943 |
| O-Acetylcarnitine 2 | 0.6711 | 0.7635 | 0.7121 | 1.2395 | 1.2194 | 1.3943 |
| O-Acetylneuraminic acid | 0.9710 | 0.8230 | 1.2026 | 1.0191 | 0.7841 | 1.2002 |
| O-Butanoylcarnitine | 1.3015 | 1.5640 | 1.4858 | 0.5988 | 0.5116 | 0.5383 |
| Octylamine | 0.4583 | 1.2305 | 0.9923 | 0.2901 | 1.9935 | 1.0352 |
| O-Phospho-L-serine | NA | NA | NA | 1.1070 | 0.8251 | 1.0680 |
| O-Propanoylcarnitine | 1.2695 | 1.6181 | 1.7066 | 0.4346 | 0.4746 | 0.4966 |
| O-Succinyl-L-homoserine | 0.3195 | 0.3947 | 0.4823 | 1.6179 | 0.6906 | 2.4950 |
| O-Succinyl-L-homoserine 2 | 0.3195 | 0.3947 | 0.4823 | 1.6179 | 0.6906 | 2.4950 |
| Ovothiol disulfide | 0.8854 | 1.2556 | 0.8590 | NA | NA | NA |
| p-aminobenzoyl glutamate | 0.8061 | 0.5860 | NA | 1.5613 | 0.5180 | 1.3906 |
| [PC (14:0/18:1)] 1-tetradecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine | 0.9524 | 0.9891 | 1.1067 | 0.9439 | 0.9808 | 1.0271 |
| [PC (14:0/18:2)] 1-tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | 0.8841 | 0.8387 | 0.9876 | 1.0352 | 1.2033 | 1.0511 |
| [PC (14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine | 1.0252 | 1.1084 | 1.0740 | 0.9992 | 0.7893 | 1.0038 |
| PC(14:1(9Z)/15:0) | 1.6433 | 1.5056 | 1.7227 | 0.3914 | 0.3534 | 0.3836 |
| [PC (15:0/15:0)] 1,2-dipentadecanoyl-sn-glycero-3-phosphocholine | 1.0057 | 1.0646 | 1.1526 | 0.9172 | 0.8236 | 1.0363 |
| [PC (15:0)] 1-pentadecanoyl-sn-glycero-3-phosphocholine | 0.8334 | 1.1892 | 1.1323 | 0.8669 | 0.7757 | 1.2025 |
| [PC (16:0/16:0)] 1-hexadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine | 0.5744 | 0.6286 | 0.5486 | 1.4454 | 1.2736 | 1.5293 |
| [PC (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine | 0.9257 | 1.0332 | 0.9462 | 1.0210 | 0.9913 | 1.0826 |
| [PC (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | 1.2935 | 1.3716 | 1.3507 | 0.6653 | 0.6657 | 0.6532 |
| [PC (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine | 1.0321 | 1.0218 | 1.1861 | 0.9586 | 0.9646 | 0.8368 |
| [PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocholine | 1.0224 | 0.9926 | 1.0544 | 0.9916 | 0.9197 | 1.0193 |
| [PC (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine | 0.6848 | 0.6753 | 0.7578 | 1.3222 | 1.4144 | 1.1455 |
| [PC (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | 1.0687 | 1.0771 | 1.2863 | 0.8649 | 0.8907 | 0.8123 |
| [PC (16:0/3:0)] 1-hexadecanoyl-2-(2E-propionyl)-sn-glycero-3-phosphocholine | NA | 0.1704 | 0.3647 | 0.1839 | 2.0541 | 0.7063 |
| PC(16:0/5:0(CHO)) | 0.3894 | 0.7678 | 0.3998 | 1.4845 | 0.8697 | 2.0889 |
| PC(16:0/5:0(COOH)) | 0.5012 | 0.9706 | 0.7624 | 0.6217 | 1.0097 | 2.1344 |
| PC(16:0/P-18:1(11Z)) | 1.0760 | 1.1405 | 1.0368 | 0.7395 | 0.9722 | 1.0350 |
| [PC (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine | 1.2886 | 1.2866 | 1.3545 | 0.4353 | 0.9475 | 0.6875 |
| [PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine | 0.9557 | 0.9151 | 0.9881 | 1.1767 | 0.8973 | 1.0672 |
| [PC (18:0/22:4)] 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine | 0.8463 | 0.9344 | 1.0324 | 1.1990 | 1.0693 | 0.9186 |
| [PC (18:0/22:5)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine | 0.9525 | 1.0425 | 1.2388 | 1.0006 | 0.9502 | 0.8155 |
| PC(18:0/P-18:1(11Z)) | 0.2110 | 0.2452 | NA | 1.0951 | 1.1446 | 1.2749 |
| [PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine | 0.8911 | 0.9683 | 1.0196 | 1.0032 | 1.0492 | 1.0686 |
| [PC (18:1/18:1)] 1-(9Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine | 1.4171 | 1.4712 | 1.4416 | 0.5711 | 0.5725 | 0.5264 |
| [PC (18:1/20:3)] 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine | 0.8546 | 0.8603 | 0.9649 | 1.1503 | 1.1767 | 0.9933 |
| [PC (18:1/22:5)] 1-(11Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphocholine | 1.1973 | 1.2220 | 1.3605 | 0.8112 | 0.7363 | 0.6727 |
| [PC (18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | 1.0749 | 1.0870 | 1.1163 | 0.9341 | 0.9329 | 0.8547 |
| [PC (19:3)] 1-(10Z,13Z,16Z-nonadecatrienoyl)-sn-glycero-3-phosphocholine | 0.0918 | 0.0329 | NA | 1.9433 | 0.8490 | 1.1356 |
| PC(22:2(13Z,16Z)/P-18:1(11Z)) | 0.6259 | 0.6233 | 0.7297 | 1.4190 | 1.3787 | 1.2233 |
| PC(22:4(7Z,10Z,13Z,16Z)/P-18:0) | 0.5748 | 0.5260 | 0.5726 | 1.4530 | 1.6400 | 1.2335 |
| PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) | 0.4563 | 0.4806 | 0.5157 | 1.4312 | 1.7381 | 1.3780 |
| [PC (22:6)] 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | 0.9148 | 0.6058 | 0.8762 | 1.6400 | 1.0366 | 0.9265 |
| [PC acetyl(16:1)] 1-(9Z-hexadecenoyl)-2-acetyl-sn-glycero-3-phosphocholine | 0.7691 | 0.8787 | 0.4044 | 2.4487 | 0.5346 | 0.9647 |
| [PE (16:0/16:0)] 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine | 1.4790 | 1.6954 | 1.6013 | 0.4200 | 0.3627 | 0.4416 |
| [PE (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine | 1.2872 | 1.1724 | 1.3140 | 0.8387 | 0.6449 | 0.7428 |
| [PE (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine | 1.4343 | 1.4276 | 1.6526 | 0.5539 | 0.4947 | 0.4369 |
| [PE (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | 0.8702 | 0.8389 | 0.9357 | 1.1767 | 1.2109 | 0.9676 |
| [PE (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine | 0.8529 | 0.9034 | 1.0018 | 1.1989 | 1.0207 | 1.0224 |
| [PE (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoethanolamine | 0.8908 | 0.9048 | 0.8779 | 1.2594 | 0.8514 | 1.2157 |
| [PE (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine | 0.6031 | 0.7027 | 0.4794 | 1.9091 | 0.8960 | 1.4097 |
| [PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | 1.3007 | 1.1921 | 1.4912 | 0.4986 | 0.9207 | 0.5967 |
| PE(18:3(6Z,9Z,12Z)/P-18:1(11Z)) | 1.3371 | 1.3336 | 1.4004 | 0.5017 | 0.8706 | 0.5566 |
| [PE (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | 0.6023 | 0.4402 | 0.4859 | 2.1260 | 1.0979 | 1.2477 |
| PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) | 1.2266 | 1.2670 | 1.4844 | 0.4856 | 1.0504 | 0.4860 |
| PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) | 1.3272 | 1.3096 | 1.6227 | 0.4499 | 0.7857 | 0.5049 |
| Perillyl alcohol | 0.8936 | 0.6960 | 1.2332 | 0.8137 | 1.4985 | 0.8651 |
| Phe-Gly | 1.8196 | 1.5114 | 0.8609 | 0.5338 | NA | 0.2744 |
| Phenylethylmalonamide | 1.6224 | 1.6562 | 0.8703 | 0.5171 | NA | 0.3340 |
| Phe-Pro | 0.9674 | 1.5089 | 1.6375 | NA | 0.1820 | 0.1472 |
| Phe-Trp | 0.4771 | 0.6172 | 0.6182 | 0.7585 | 1.6447 | 1.8842 |
| Phosphocreatine | 0.0490 | 0.0498 | 0.0464 | 2.2751 | 1.4821 | 2.0976 |
| Phosphonoacetaldehyde | 0.5128 | 0.6789 | 0.7022 | 1.3779 | 1.2535 | 1.4746 |
| Picolinamide | 0.5719 | 0.6359 | 0.5751 | 1.3617 | 1.3106 | 1.5448 |
| Piperidine | 0.9602 | 0.9635 | 0.9786 | 1.1898 | 0.9856 | 0.9225 |
| Pro-Arg-His | 0.9395 | 1.0424 | 0.9753 | 0.9832 | 1.0129 | 1.0466 |
| Pro-Arg-His 2 | 0.9395 | 1.0424 | 0.9753 | 0.9832 | 1.0129 | 1.0466 |
| Pro-Pro | 0.3724 | 0.9186 | 0.3872 | 2.1301 | 0.7632 | 1.4285 |
| Pro-Ser-Ser | 1.5716 | 1.5331 | 1.5828 | 0.3323 | 0.3810 | 0.5992 |
| Protoporphyrin | NA | NA | NA | 1.4792 | 0.5363 | 0.9845 |
| PS(12:0/15:0) | 1.1277 | 1.4277 | 1.1106 | 0.5681 | 0.5501 | 1.2156 |
| PS(18:0/18:1(9Z)) | 0.7313 | 1.5163 | 0.5341 | 1.0284 | 0.6590 | 1.5310 |
| [PS (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine | 1.0217 | 0.9702 | 1.1295 | 0.9681 | 1.0259 | 0.8846 |
| PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) | 1.3277 | 1.1557 | 1.4448 | 0.7102 | 0.7408 | 0.6208 |
| PS(22:1(11Z)/0:0) | 0.6911 | 1.1943 | 0.6592 | 1.3064 | 0.5958 | 1.5531 |
| PS(36:2) | 0.6506 | 1.3623 | 0.6720 | 1.9608 | 0.5430 | 0.8113 |
| PS(38:2) | 0.7049 | 1.1344 | 0.5738 | 1.1273 | 0.8471 | 1.6126 |
| PS(38:5) | 0.9598 | 0.8844 | 1.0177 | 1.1023 | 1.1293 | 0.9065 |
| PS(40:4) | 1.0545 | 1.0447 | 1.2324 | 0.9404 | 0.9056 | 0.8225 |
| psicoselysine | 0.7021 | 0.8414 | 0.9707 | 1.1995 | 0.5025 | 1.7838 |
| PS(O-16:0/22:2(13Z,16Z)) | 1.2235 | 1.3118 | 0.7221 | 1.4342 | 0.5327 | 0.7757 |
| PS(O-18:0/20:3(8Z,11Z,14Z)) | 0.8272 | 1.0789 | 0.5888 | 1.6181 | 0.7869 | 1.1001 |
| PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) | NA | 0.4026 | NA | 1.8111 | 0.3730 | 0.7962 |
| PS(O-18:0/22:4(7Z,10Z,13Z,16Z)) | 0.7728 | 0.6196 | 0.5032 | 1.5172 | 1.1673 | 1.4199 |
| PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 0.6564 | 0.6752 | 0.5259 | 1.7407 | 0.8670 | 0.9960 |
| Pyridoxal | 0.8905 | 0.9753 | 1.2398 | 0.4512 | 1.5652 | 0.8781 |
| Pyridoxamine | 0.8046 | 0.8737 | 0.9907 | 0.6986 | 1.6359 | 0.9965 |
| Pyridoxine | 0.5500 | 0.5451 | 0.4378 | 1.4746 | 1.3497 | 1.6428 |
| Quinolin-2-ol | NA | 1.0110 | NA | 1.3212 | NA | 0.6678 |
| Retronecine | 1.5035 | 1.8855 | 1.9424 | 0.1971 | 0.2397 | 0.2318 |
| Riboflavin | 0.8484 | 1.0192 | 0.8765 | 0.8773 | 0.6127 | 1.6369 |
| Ricinine | 1.1864 | 1.1774 | 1.1002 | 0.6933 | 0.7728 | 1.0699 |
| S-Adenosyl-L-homocysteine | 0.7467 | 1.6010 | 1.6053 | 1.0617 | 0.5625 | 0.4229 |
| S-Adenosyl-L-methionine | 0.5613 | 0.6187 | 0.7150 | 0.9101 | 1.9781 | 1.2168 |
| (-)-Salsolinol | 0.9798 | 0.8144 | 0.8298 | 0.9015 | 1.0477 | 1.1592 |
| Sanguinarine | 0.4481 | 0.6354 | 1.2607 | 0.5406 | 2.2471 | 0.8680 |
| S-Butyl-DL-homocysteine-[S,R]-sulfoximine | NA | 0.5576 | NA | 0.7832 | 1.0266 | 1.3377 |
| (S)-Coclaurine | 0.9971 | 0.9948 | 1.0739 | 0.9766 | 1.0865 | 0.8710 |
| Slaframine | 1.2271 | 1.2219 | 1.2075 | 0.7462 | 0.7691 | 0.8281 |
| Slaframine 2 | 1.2271 | 1.2219 | 1.2075 | 0.7462 | 0.7691 | 0.8281 |
| SM(d16:1/18:1) | 1.1045 | 0.9807 | 1.1419 | 0.8999 | 0.9149 | 0.9580 |
| SM(d16:1/22:1) | 1.2032 | 1.1676 | 0.9772 | 0.7468 | 0.8018 | 1.1034 |
| SM(d18:0/24:1(15Z)(OH)) | 0.6529 | 0.6826 | 0.3272 | 2.5390 | 0.6939 | 1.1043 |
| SM(d18:1/14:0) | 1.0929 | 1.0560 | 1.2959 | 0.8537 | 0.8075 | 0.8939 |
| SM(d18:1/17:0) | 1.2278 | 1.2900 | 1.1777 | 0.6493 | 0.5298 | 0.8517 |
| SM(d18:1/18:0) | 1.1658 | 1.1570 | 0.8016 | 0.9148 | 0.8470 | 1.1138 |
| SM(d18:1/18:1(9Z)) | 1.1022 | 1.0075 | 1.1855 | 0.8841 | 0.8660 | 0.9547 |
| SM(d18:1/22:0) | 1.1375 | 1.2400 | 1.0917 | 1.0024 | 0.6459 | 0.8824 |
| SM(d18:1/22:1(13Z)) | 1.1721 | 1.3938 | 0.8932 | 0.8262 | 0.7636 | 0.9510 |
| SM(d18:1/24:1(15Z)) | 1.2175 | 1.1544 | 0.9579 | 0.9394 | 0.7145 | 1.0164 |
| sn-glycero-3-Phosphocholine | 1.5221 | 1.7225 | 1.7377 | 0.3775 | 0.2739 | 0.3663 |
| sn-glycero-3-Phosphoethanolamine | 1.1921 | 1.4820 | 1.2546 | 0.8750 | 0.4484 | 0.7479 |
| (S)-Norcoclaurine | NA | NA | NA | 0.6696 | 1.1031 | 1.2273 |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine | 0.4988 | 0.5158 | 0.5627 | 1.4760 | 1.5497 | 1.3970 |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine | 0.9503 | 0.8406 | 0.8740 | 1.0919 | 1.0146 | 1.2286 |
| [SP (2:0)] sphinga-4E,14Z-dienine | 0.9423 | 1.3292 | 1.2047 | 1.2771 | 0.6314 | 0.6152 |
| [SP] 3-dehydrosphinganine | 0.0660 | 0.0720 | 0.0849 | 1.8342 | 1.9585 | 1.9844 |
| [SP amino,tetramethyl(4:0/18:0/3:0)] 2S-amino-5,9,13,17-tetramethyl-8E,16-octadecadiene-1,3R,14-triol | 0.9571 | 0.8595 | 0.7617 | 0.8553 | 0.9895 | 1.5770 |
| [SP hydrox] 6-hydroxysphing-4E-enine | 0.9959 | 1.0984 | 1.3030 | 0.9467 | 0.7082 | 0.9478 |
| [SP] Sphing-4-enine-1-phosphate | NA | NA | NA | 0.9309 | 1.0533 | 1.0158 |
| [SP] Sphinganine-1-phosphate | NA | NA | NA | 1.0507 | 0.9279 | 1.0213 |
| S-Succinylglutathione | 0.7303 | 1.0029 | 0.2964 | 1.7088 | 0.7994 | 1.4621 |
| [ST (2:0)] 5alpha-cholesta-8,24-dien-3beta-ol | 0.8414 | 1.1354 | 0.6916 | 0.7892 | 0.7841 | 1.7582 |
| [ST (20:5)] cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) | 1.1206 | 0.8285 | NA | 1.1148 | 0.9332 | NA |
| [ST (3:0)] (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholatriene-1,3,23-triol | 0.6228 | 0.3274 | 0.4476 | 1.8657 | 1.5594 | 1.1771 |
| [ST (3:0)] (5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol | 1.5784 | 0.9806 | 1.0608 | 0.6790 | 1.0163 | 0.6850 |
| [ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol | 0.7197 | 1.6050 | 0.5221 | 0.7927 | 0.8074 | 1.5531 |
| [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene | 0.9638 | 0.9467 | 1.1374 | 0.9645 | 0.9311 | 1.0565 |
| [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 2 | 0.9638 | 0.9467 | 1.1374 | 0.9645 | 0.9311 | 1.0565 |
| Stachydrine | 1.7313 | 2.1300 | 2.1087 | 0.0099 | 0.0104 | 0.0097 |
| Stearoylcarnitine | 1.5756 | 1.8439 | 1.9789 | 0.2049 | 0.2020 | 0.1947 |
| [ST hydroxy(5:0)] 3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one | NA | NA | NA | 0.7602 | 0.8424 | 1.3974 |
| Suberylglycine | NA | NA | NA | NA | NA | 1.0000 |
| Succinyl proline | 0.7449 | 1.4786 | 0.9316 | 0.6085 | 1.1621 | 1.0515 |
| Tazettine | 1.2208 | 0.1422 | 0.4907 | NA | 1.0470 | 1.5274 |
| Tenuazonic acid | 0.5233 | 0.6092 | 0.6982 | 2.6308 | 0.6140 | 0.9245 |
| Tetradecanoylcarnitine | 1.2392 | 1.3622 | 1.4908 | 0.6142 | 0.7384 | 0.5552 |
| Tetrapentylammonium | 0.0747 | 0.0446 | 0.0554 | 1.6650 | 2.2964 | 1.8639 |
| Thalicsessine | 0.6371 | 0.6183 | 0.5069 | 1.1537 | 1.2765 | 1.8076 |
| Thiamin | 0.8795 | 0.8270 | 0.7699 | 1.0526 | 1.2628 | 1.2082 |
| Thiomorpholine 3-carboxylate | 0.2554 | 0.4766 | 0.9442 | 2.3139 | 0.9467 | 1.0633 |
| Thiomorpholine 3-carboxylate 2 | 0.2554 | 0.4766 | 0.9442 | 2.3139 | 0.9467 | 1.0633 |
| Thr-Ala | 0.2574 | 0.2753 | 0.2734 | 1.6371 | 1.6495 | 1.9073 |
| Thr-Ala-Asp | 1.6096 | 1.5465 | 1.4650 | 0.5704 | 0.4006 | 0.4078 |
| Thr-Cys | 0.4056 | 0.4756 | 0.3081 | 1.5063 | 1.5449 | 1.7596 |
| Thr-Cys 2 | 0.4056 | 0.4756 | 0.3081 | 1.5063 | 1.5449 | 1.7596 |
| trans-Hexadec-2-enoylcarnitine | 1.4326 | 1.5906 | 1.6671 | 0.4152 | 0.5074 | 0.3872 |
| Tributyl phosphate | 0.9351 | 1.0220 | 1.4947 | 0.6932 | 0.9720 | 0.8829 |
| Tris(butoxyethyl)phosphate | 1.1073 | 1.0262 | 0.9804 | 0.7592 | 1.1899 | 0.9370 |
| Trp-Trp-Tyr-Tyr | 0.4774 | 0.4691 | 0.4649 | 1.4258 | 1.2048 | 1.9581 |
| Tyr-OEt | NA | 0.6588 | NA | 1.4628 | 0.6132 | 1.2652 |
| UDP | 0.2621 | 0.3098 | 0.3104 | 1.6982 | 1.5765 | 1.8429 |
| Urethane | 0.2718 | 0.2851 | 0.2313 | 0.4717 | 2.5830 | 1.1815 |
| Urethane 2 | 0.2718 | 0.2851 | 0.2313 | 0.4717 | 2.5830 | 1.1815 |
| Urocanate | 0.6740 | 2.0299 | 0.6288 | 0.7511 | 0.6195 | 1.2967 |
| Val-Asn-Asp | 0.8812 | 0.6310 | 0.6955 | 1.3479 | 1.1290 | 1.3154 |
| Valeroidine | 0.4284 | 0.5465 | 0.4666 | 1.9000 | 0.9337 | 1.3565 |
| Val-Gly | 0.9466 | 1.7935 | 1.8425 | 0.4345 | 0.3880 | 0.5949 |
| Val-Pro-Arg | 1.0819 | 1.4665 | 1.0766 | 0.4988 | 0.5567 | 1.3196 |
| Val-Ser | 0.4639 | 0.4892 | 0.9593 | 0.2409 | 1.6731 | 2.1736 |
| Verticine | 0.8412 | 1.0500 | 1.1184 | 0.5335 | 1.1426 | 1.3143 |
| (Z)-4-Hydroxyphenylacetaldehyde-oxime | 0.8579 | 0.9647 | 0.9177 | 1.3878 | 0.9205 | 0.9514 |
| ZAPA | 0.6794 | 0.3828 | 0.7801 | 0.9934 | 1.3166 | 1.6420 |
Factors:
| F1 | Cell type:Mature erythrocyte | Glucose labelling:C13 glucose | timepoint:1 hour |
| F2 | Cell type:Mature erythrocyte | Glucose labelling:C13 glucose | timepoint:20 hours |
| F3 | Cell type:Mature erythrocyte | Glucose labelling:unlabelled | timepoint:20 hours |
| F4 | Cell type:Reticulocyte | Glucose labelling:C13 glucose | timepoint:1 hour |
| F5 | Cell type:Reticulocyte | Glucose labelling:C13 glucose | timepoint:20 hours |
| F6 | Cell type:Reticulocyte | Glucose labelling:unlabelled | timepoint:20 hours |
