Metabolite_name RefMet_name NACH-00276 NACH-00277 NACH-00278 NACH-00279 NACH-00280 NACH-00281 NACH-00271 NACH-00272 NACH-00273 NACH-00274 NACH-00275 Factors - GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:GOS GROUP_ID:GOS GROUP_ID:GOS GROUP_ID:GOS GROUP_ID:GOS 1-methyl-4-imidazoleacetate Methylimidazoleacetic acid 1.2107 1.2530 0.9024 0.9449 0.9048 1.6120 0.9641 0.9245 1.3855 1.2071 1 1-methyl-5-imidazoleacetate 1-Methyl-5-imidazoleacetic acid 1 1.2651 0.8561 1.5061 0.7569 3.5316 0.5353 0.8766 1.1309 2.9463 0.8367 1-methylhistamine 1-Methylhistamine 1.2996 1.3728 0.8805 1.0686 1 1.1086 0.7993 1.0587 0.7264 0.7842 0.9542 1-methylhistidine 1-Methylhistidine 0.8394 1.0903 0.9905 1.3639 1.0792 1.3230 0.4122 0.7994 0.7402 1.5964 1 1-methylnicotinamide 1-Methyl nicotinamide 1.2053 1.2920 1 1.1767 1.0282 2.1799 0.2598 0.8209 0.8065 0.9084 0.4092 1-ribosyl-imidazoleacetate* Imidazoleacetic acid riboside 2.2962 2.4263 0.5889 1.5147 0.9323 0.9700 0.2534 1 1.1447 2.3815 0.6215 2-aminoheptanoate 2-Aminoheptanoic acid 2.7792 1 1.9736 2.3590 1.8999 2.8227 0.8553 0.7379 0.5426 0.4917 0.4458 2^-deoxycytidine Deoxycytidine 0.9436 1.0930 1.0525 1 0.7631 1.2320 1.0007 0.6421 0.9694 1.2257 0.7671 2-hydroxyglutarate 2-Hydroxyglutaric acid 1.1094 1.0062 0.8242 0.8249 0.8531 0.9365 1.2431 1.0365 0.9821 1 1.1695 2-methylbutyrylcarnitine (C5) CAR 4:0;2Me 1.2453 1 0.7370 0.9806 1.0397 0.9453 2.2649 1.1936 0.9373 0.9531 1.4191 2-methylmalonylcarnitine (C4-DC) CAR DC3:0;2Me 0.9938 0.6210 2.1109 0.6210 0.6289 2.5524 0.6210 0.8126 1.5450 0.6210 1.0062 2^-O-methylcytidine 2'-O-Methylcytidine 1.4576 1.5212 1 0.6422 1.1803 0.9202 1.1189 0.8633 1.0183 0.8236 0.6594 2-oxoarginine* 2-Oxoarginine 1.1458 0.9654 0.8083 1.0149 0.9202 1.1741 0.6087 1.1178 1.1369 1 0.8565 3-amino-2-piperidone 3-Amino-2-piperidone 0.9665 1.0082 1.4784 1.1228 0.7844 4.0437 2.2092 0.8889 0.9592 1 0.9086 3-aminoisobutyrate 3-Aminoisobutanoic acid 1.3657 0.5168 2.0032 0.8437 1.3662 1.8237 3.0030 0.6350 1 0.5858 0.8686 3-hydroxyhexanoylcarnitine (1) CAR 6:0;3OH 0.3989 0.3989 0.4433 1.1226 0.3989 1.5925 0.8765 0.8774 0.3989 1.6682 1.1604 3-hydroxyhexanoylcarnitine (2) CAR 6:0;3OH 0.9997 1.1155 0.8811 0.9518 0.9917 1.6403 1 1.0989 1.0199 1.1880 0.9107 3-methylcrotonylglycine 3-Methylcrotonylglycine 1.5782 1.1130 0.7401 1 0.5792 1.2787 0.4999 0.6256 1.1241 1.4120 0.9109 3-methylcytidine 3-Methylcytidine 0.4907 2.2560 1.0068 0.7480 1.0243 0.4907 0.8694 0.9932 0.6620 1.2446 1.0127 3-methylhistidine 3-Methylhistidine 0.9273 1.2348 1.0151 1 1.1314 1.2499 0.6674 0.9938 0.8727 0.6833 1.2066 3-phosphoglycerate 3-Phosphoglyceric acid 1.0338 0.3131 1.0602 1.3781 1 6.9425 0.5892 0.5644 2.7716 0.6375 0.3355 3-ureidoisobutyrate Ureidoisobutyric acid 0.5038 0.5038 0.5038 0.5038 0.5038 0.5038 11.2370 0.5038 0.6591 1.3409 0.5038 3-ureidopropionate Ureidopropionic acid 1 1.1678 0.9917 1.0379 1.0019 0.7245 2.3325 0.8429 0.6074 0.9774 1.5042 4-acetamidobutanoate 4-Acetamidobutanoic acid 0.8998 1 0.9456 1.2295 1.0693 1.2645 0.6957 1.4010 0.9293 0.4593 1.6922 4-guanidinobutanoate 4-Guanidinobutanoic acid 1.1463 0.7423 0.5525 1.4190 0.7252 1 0.8337 1.1120 1.4162 0.8563 1.3779 4-hydroxybutyrate (GHB) 4-Hydroxybutyric acid 3.2501 1.9263 1.8101 0.8672 2.3942 0.7451 0.7196 1 1.1017 0.5514 0.9095 4-imidazoleacetate Imidazoleacetic acid 1.0869 1.2835 0.7728 1.0931 0.7646 1.5490 0.9665 0.4841 1 1.0189 0.6306 5_6-dihydrothymine Dihydrothymine 0.5371 1.6817 0.9505 0.8296 0.6488 1.3023 2.3208 0.5910 1 1.6276 2.3126 5-aminovalerate 5-Aminopentanoic acid 1.0031 0.9546 0.4854 1.6317 0.9969 2.8677 2.6266 0.8988 0.7909 0.4854 2.2817 5-(galactosylhydroxy)-L-lysine 5-(Galactosylhydroxy)-lysine 0.5006 1.0874 0.5748 1 0.8954 2.3820 0.5006 0.5784 1.1099 1.1252 0.5006 5-hydroxylysine 5-Hydroxylysine 1.0356 1.1860 1.1410 1 1.2338 0.8790 0.7003 0.8711 0.7382 0.8723 1.3540 5-methyl-2^-deoxycytidine 5-Methyl-2'-deoxycytidine 1.0316 1.2037 1.0265 0.8782 1 1.2519 0.9201 0.7124 0.9957 1.0338 0.6870 5-methylcytidine 5-Methylcytidine 1.0865 1.3927 1.0402 0.9020 0.7936 1 0.8628 0.5901 1.1715 1.1268 0.6247 5-methylthioadenosine (MTA) 5'-Methylthioadenosine 1.0657 0.9174 1 1.1569 1.0712 2.4514 0.8190 0.9653 1.5803 0.8827 0.9285 5-methylthioribose** 5-Methylthioribose 0.9798 0.9212 1.4106 1.0417 1.1422 1.3317 0.6904 0.8813 1 0.9430 1.4944 7-methylguanine 7-Methylguanine 1.0865 1.2895 0.9516 0.8277 0.8686 1.5506 1 0.7816 1.2219 1.0248 0.6534 acetylcarnitine (C2) CAR 2:0 0.9903 1 1.0076 1.0478 0.9181 1.0961 1.0076 0.9604 1.0458 0.9508 0.9646 adenine Adenine 1.5727 2.4882 0.9444 1.0491 1.1293 1 0.6972 0.9866 1.1180 0.6950 0.8119 adenosine Adenosine 1 1.4110 0.9322 1.7702 0.7879 0.7709 0.0483 1.1057 0.4436 1.9446 1.0325 adenosine 5^-monophosphate (AMP) AMP 1.2357 1.2353 0.4645 1.4719 1 1.1349 0.0041 1.1083 0.6541 0.8772 0.5671 adipoylcarnitine (C6-DC) CAR DC5:0 1.0624 1.2075 0.9547 0.8042 0.7515 0.5457 1.8424 1 1.5650 0.8640 1.0392 alanine Alanine 0.9942 1 0.9890 0.9962 1.0343 1.3266 1.1882 1.0248 0.9389 0.8233 1.1507 anserine Anserine 1.1249 1.0598 0.9617 0.8145 1.0640 1.0670 0.5618 0.9000 1 0.7399 1.0669 anthranilate 2-Aminobenzoic acid 1 0.6629 0.6020 1.1773 1.2114 1.2339 1.0360 0.7315 0.9659 0.5542 1.0618 argininate* Argininic acid 1.6300 1.6490 0.8853 1 1.2922 0.5801 0.3952 1.2958 1.1458 0.8637 0.9590 arginine Arginine 1.0001 0.8116 0.9906 1.1052 1 1.3277 0.4449 0.8727 0.9142 1.0844 1.0414 argininosuccinate Argininosuccinic acid 0.9050 1 0.3956 0.8715 0.7987 1.1070 0.8415 1.5000 1.2918 1.5849 1.8889 asparagine Asparagine 1.0068 0.9388 0.9778 1.1903 0.9836 1.4272 1.7782 0.9571 0.9476 1 1.1974 aspartate Aspartic acid 0.9928 0.8994 1.0104 1.0800 0.9617 2.1332 1.1244 0.8662 0.9142 1.1737 1 beta-alanine beta-Alanine 1.0457 1.2646 0.8575 0.9066 1.1881 1.2950 0.8838 0.8491 0.9445 1.0450 1 beta-hydroxyisovaleroylcarnitine CAR 4:0;OH,Me 1.0641 1.2841 1 0.8341 0.8134 0.7681 1.0555 0.9885 0.9276 1.0790 1.0366 betaine Betaine 1.0304 1.0760 0.8959 1 0.9711 1.0130 1.8811 0.8441 0.9317 1.0124 0.7552 butyrylcarnitine (C4) CAR 4:0 0.8215 0.7824 0.6354 1.0395 0.8310 0.8556 1.1405 1.3617 1.0528 1.0635 1 carboxyethyl-GABA N-Carboxyethyl-gamma-aminobutyric acid 1.7309 1.4806 0.8080 1.3732 0.7691 1.3494 0.7768 1 0.7844 2.1074 0.7856 carnitine Carnitine 0.9903 1 0.8487 1.2047 0.9273 1.3036 1.0472 0.8722 0.9218 1.1954 1.0044 carnosine Carnosine 1 1.0490 1.3210 0.8409 1.0661 1.5965 0.5108 0.8447 0.8446 0.7715 1.0433 choline Choline 1.0281 1 0.8618 1.0295 1.0219 1.3094 0.9022 0.8774 0.9718 1.2202 0.8495 choline phosphate Choline phosphate 0.9683 1.3054 1.1349 1.0876 0.9288 2.2650 0.6864 0.9139 1.7201 0.9699 1 citrulline Citrulline 1 0.8434 0.8923 1.1036 1.0098 1.2327 1.0090 0.9515 0.8992 0.9846 1.0012 creatine Creatine 0.9567 1.0147 0.8589 1.1044 0.8728 2.3596 0.8792 1 1.3556 1.6031 0.9665 creatinine Creatinine 1.2681 1.2753 0.9060 1 0.8860 1.6005 0.9747 0.8638 1.2259 1.4756 0.8810 cystathionine Cystathionine 1.0942 1.5068 0.7191 0.9484 0.8250 1.7694 1 0.8546 1.7272 2.0740 0.9187 cysteine Cysteine 0.9251 1.3255 0.9358 0.8025 1 1.5727 0.5481 1.0390 1.0059 0.9744 1.0475 cysteine-glutathione disulfide S-Glutathionyl-cysteine 1.0083 1.1769 0.6006 1 1.0335 1.1017 0.5719 1.0054 0.9566 0.5844 0.8105 cysteine sulfinic acid 3-Sulfino-alanine 1.0263 1.2532 0.7426 1.4451 1.0785 0.7192 0.7246 1.1057 0.9517 1 0.8749 cysteinylglycine disulfide* Cysteinylglycine disulfide 1.3588 1.7100 0.9873 0.8636 1.2689 0.9739 0.8261 0.8261 0.8261 1 1.2835 cystine Cystine 0.6709 0.4341 1.2664 1.7683 1.1519 1.3266 0.4162 1 0.4364 0.6195 1.1313 cytidine Cytidine 1.2702 1.3657 0.6926 0.8981 0.7791 1.1303 1.1350 0.6407 1 1.1327 0.5798 cytidine 2^ or 3^-monophosphate (2^ or 3^-CMP) 1.0012 1.2831 1 1.4245 0.7655 5.1983 0.3930 0.8442 1.5895 0.6075 0.2818 cytidine 5^-monophosphate (5^-CMP) CMP 1.1393 0.9637 1.2033 1.2113 0.8877 2.7323 0.6902 0.8611 1.4137 1 0.9922 cytosine Cytosine 0.7521 0.9433 0.3856 1.0567 0.6959 1.4911 1.6093 0.5021 1.1529 1.9606 0.3856 deoxycarnitine 3-Dehydroxycarnitine 0.9774 1.1617 0.8324 0.9409 1.0071 1.0136 1.3895 0.9421 1.0820 1 0.8998 dihydroxyacetone phosphate (DHAP) Dihydroxyacetone phosphate 0.9723 0.9655 1 1.6357 0.3881 6.5478 0.2963 1.3394 1.0846 1.2650 0.5508 dimethylarginine (SDMA + ADMA) Dimethylarginine 1.0240 1.0262 1.0474 0.9585 1.1194 1.1360 0.8030 0.8093 0.8527 0.7507 1 dimethylglycine Dimethylglycine 0.9310 1.1424 0.8496 1.0168 0.8894 1.0588 1.6908 1 0.9963 1.2516 0.8749 dimethyl sulfone Dimethyl sulfone 0.4774 0.4774 1.3169 0.4774 0.4774 0.8429 1.4981 0.8495 1.6080 0.4774 1 ergothioneine Ergothioneine 1.0095 0.8979 1 0.4713 1.0791 1.0099 1.0749 0.8530 1.9807 0.5056 0.6672 ethyl alpha-glucopyranoside 1.4427 0.5019 0.5573 0.4899 0.4899 3.4904 0.4899 0.4899 0.4899 1.7465 0.4899 formiminoglutamate Formiminoglutamic acid 0.7952 1.2317 0.6052 1.1900 0.4486 1.3053 3.3088 1 0.7500 0.7958 1.5486 fructosyllysine Fructosyllysine 0.8659 0.8275 0.6509 1.3044 1.1508 1.3420 0.6409 1.0948 0.8042 1.1827 1 gamma-glutamyl-2-aminobutyrate gamma-Glutamyl-2-aminobutanoate 0.5556 0.5556 0.5556 1.1259 1 0.5556 1.6491 0.8478 0.9489 0.5556 1.7930 gamma-glutamylalanine gamma-Glutamylalanine 1.5837 1.0471 0.5471 0.9529 0.5471 0.5471 1.6555 0.5971 0.5471 1.8133 0.7708 gamma-glutamyl-alpha-lysine gamma-Glutamyllysine 1.1824 0.9271 1.3645 0.8952 1.0444 1.0881 0.7119 0.8980 0.9386 1 1.5064 gamma-glutamylcitrulline* 1.1763 1 0.6174 0.9475 1.0099 0.1950 1.1134 1.0176 0.5315 1.2233 0.9181 gamma-glutamyl-epsilon-lysine Epsilon-(gamma-Glutamyl)-lysine 0.7950 1 0.9817 1.2165 0.9316 3.2431 0.4469 0.7847 1.0799 4.3617 1.0559 gamma-glutamylglutamate gamma-Glutamylglutamic acid 1.1403 1 0.9145 0.9444 0.9463 1.0103 1.5331 0.8628 1.2208 0.9018 1.2395 gamma-glutamylglutamine gamma-Glutamylglutamine 1 0.8996 0.8961 1.0427 1.0318 0.5350 1.5405 0.9645 0.6525 1.0141 1.1490 gamma-glutamylglycine gamma-Glutamylglycine 0.9696 1.0499 1.0598 0.8683 1.0326 1.0596 0.9362 0.9785 1.0541 0.9568 1 gamma-glutamylhistidine gamma-Glutamylhistidine 0.7366 0.7257 0.7103 1.2862 0.9978 1.8263 1.2506 1.1275 0.8227 1.3470 1 gamma-glutamylisoleucine* gamma-Glutamylisoleucine 1.0479 0.9284 1.0574 0.9455 0.8691 1.1606 0.8044 1 0.9245 1.0832 1.5920 gamma-glutamylleucine gamma-Glutamylleucine 0.9769 0.7969 1.1086 1 0.9621 1.2243 1.0155 1.0620 0.9247 0.8391 1.8149 gamma-glutamylmethionine gamma-Glutamylmethionine 1.0843 0.8564 0.4909 1.1204 0.9358 0.0771 1 1.1297 0.2828 1.0989 1.1297 gamma-glutamylphenylalanine gamma-Glutamylphenylalanine 1.0857 0.8642 1.1013 0.8732 0.9919 1.0121 2.2622 1 0.9575 0.8742 1.7329 gamma-glutamylserine gamma-Glu-Ser 0.8718 0.8907 1.0658 1.0316 1 1.1924 1.2320 0.9445 0.7436 0.9789 1.1578 gamma-glutamylthreonine gamma-Glutamylthreonine 1.0681 0.9734 1.0572 0.9542 1 1.2075 0.7942 0.8781 0.9738 1.1774 1.1181 gamma-glutamyltryptophan gamma-Glutamyltryptophan 1.1473 0.7577 1.3602 1 0.7859 0.7577 3.0619 0.9731 0.8200 0.7577 2.0039 gamma-glutamyltyrosine gamma-Glutamyltyrosine 0.8175 0.7834 0.9324 0.8446 0.9249 1.7155 2.5705 1.0297 1 1.5141 2.0200 gamma-glutamylvaline gamma-Glutamylvaline 1.0073 0.8710 1 0.8749 0.9082 1.2248 0.8669 0.9547 1.0741 1.0680 1.4412 glutamate Glutamic acid 1.0681 0.9613 0.8686 1 0.9548 1.5775 1.3041 0.8672 1.3119 0.9775 1.2374 glutamine Glutamine 1.0400 1 0.9974 1.0307 0.9432 1.1289 1.6041 0.8328 0.9456 0.8427 1.0448 glutarylcarnitine (C5-DC) CAR DC5:0 1.0251 1.3993 0.9315 0.5753 1 0.4404 2.5089 1.3381 2.2632 0.5671 0.6014 glutathione_ oxidized (GSSG) Oxidized glutathione 0.8390 1 0.7386 1.7056 1.0522 2.8564 0.4840 0.9266 1.7740 1.4829 0.4931 glycerol 3-phosphate sn-Glycero-3-phosphate 1 1.0296 0.9400 1.1400 0.9833 2.1167 0.7977 0.9143 1.3509 1.4023 0.9744 glycerophosphorylcholine (GPC) sn-Glycero-3-phosphocholine 1.2259 0.9881 0.8437 1.2347 1.1765 1.2575 0.6557 0.9980 1 1.1289 0.9921 glycerophosphoserine* sn-Glycero-3-phosphoserine 0.9255 0.8655 0.8637 1.5312 1.3304 2.0844 0.6742 1 1.2633 1.0218 0.8302 glycine Glycine 0.9689 1.0641 0.9825 0.9862 1.0220 1.2753 1.0394 1 1.0359 0.9395 0.9236 glycylvaline Gly-Val 1 0.6731 0.8647 1.3944 0.7945 1.2085 1.6907 1.1934 1.0224 0.8134 0.9354 guanidinoacetate Guanidoacetic acid 0.8143 0.8708 0.5648 1.3963 0.7638 2.9581 2.2274 1.0770 1 2.0112 0.7259 guanosine 5^- monophosphate (5^-GMP) GMP 1.1498 1.1078 0.6801 1.5065 1 1.6007 0.0065 0.9032 0.8222 1.2662 0.6739 hexanoylcarnitine (C6) CAR 6:0 1.0091 1.0154 0.6653 1.0474 0.7661 0.6647 1.5219 1.4535 0.9667 1 0.8497 histamine Histamine 1 0.7490 0.8697 0.8693 1.0239 3.7063 1.0646 0.7970 2.2880 0.8094 1.3294 histidine betaine (hercynine)* Hercynine 1.1251 0.4669 0.3804 1.0356 1 1.4999 1.2697 0.7561 1.3439 0.5891 0.9535 homoarginine Homoarginine 1.1532 0.8451 1.0587 1 1.1368 0.9195 1.1729 0.9187 0.8461 0.7999 1.3239 homocitrulline Homocitrulline 0.8899 1 1.4201 0.5152 1.2565 0.5152 0.6608 1.0323 0.8875 0.5152 1.4097 homostachydrine* (S)-Homostachydrine 1.1465 0.4979 1 1.8120 0.2986 1.5358 0.2986 0.2986 0.2986 0.9021 0.2986 hydroxyasparagine** Hydroxyasparagine 1 1.0466 1.1487 0.8731 1.0116 1.1809 0.5226 0.8571 0.8469 1.0608 0.9757 hydroxy-N6_N6_N6-trimethyllysine* 1.1102 1.1073 1 0.8504 1.6758 2.0013 0.5321 0.8867 1.8438 0.9257 0.5974 imidazole lactate Imidazolelactic acid 1.3520 1.7012 0.7170 1 0.8600 1.2652 0.7138 0.7500 1.4367 1.9420 0.5225 imidazole propionate Imidazole propanoate 1.9636 0.9628 0.4152 1 0.4659 1.2709 0.6111 1.2804 2.0086 0.6264 1.0001 indoleacetate Indoleacetic acid 0.6280 0.7950 0.5955 0.7593 1 1.1180 1.5741 1.2356 0.9453 1.3519 1.9923 indolelactate Indolelactic acid 0.8310 1.0706 0.8659 0.9844 0.8424 0.9140 1.6131 1.0359 1 1.2998 1.2882 indolepropionate 3-Indolepropionic acid 1.1743 1 1.0122 1.2208 1.2215 0.3598 1.0962 0.5022 0.5626 0.3704 0.5864 indolin-2-one Indolin-2-one 1.1317 1.0491 0.7149 0.8802 1.0532 1.2986 1 0.7563 1.2930 0.6951 0.2470 inosine 5^-monophosphate (IMP) IMP 0.8438 0.9920 0.5080 1.2297 0.7220 2.7829 0.4668 1.4172 1.2558 1.0080 0.4668 isobutyrylcarnitine (C4) CAR 3:0;2Me 1.2501 1.0831 0.7062 0.9359 0.7842 0.5247 1.6824 1.1410 1.1677 0.6751 1 isocaproylcarnitine Isocaproylcarnitine 1.1015 1.3021 0.7497 0.9600 0.7110 0.5521 1.4998 1.2727 1.3800 0.9312 1 isocitrate Isocitric acid 0.7086 1.5628 0.7985 1 0.6919 1.3237 0.7621 0.9191 1.0476 1.1065 1.4904 isoleucine Isoleucine 1.1415 1.1055 0.9203 1.2129 0.8713 1.1000 1 0.9017 0.8628 0.8179 1.1972 isovalerylcarnitine (C5) CAR 4:0;3Me 0.8797 0.4206 0.7394 1.1997 0.3912 1.0193 1.1663 1.1152 1 0.6643 1.1555 kynurenine Kynurenine 1.0245 0.7678 0.7339 0.9858 0.7527 1.1397 1.3328 0.8637 1 1.0945 1.0125 leucine Leucine 1.1302 1.0592 1 1.2074 0.9450 1.0595 0.9516 0.9428 0.9305 0.7395 1.2650 lysine Lysine 1.0587 0.9361 1.1362 1.1078 1 1.1964 0.9398 0.8798 0.9236 0.9380 1.1923 methionine Methionine 0.9806 0.8924 1.1068 1.0978 0.9388 1.2928 1.1858 1 0.9354 0.9010 1.1703 methionine sulfone Methionine sulfone 1.0672 1 0.7597 0.5625 0.6075 0.8041 2.1728 1.1969 1.1269 0.9783 1.3114 methionine sulfoxide Methionine sulfoxide 1.2091 0.6913 0.7623 1.4497 0.9079 1.2326 1.4871 1 0.7741 0.8388 1.6430 methyl indole-3-acetate Indole-3-methyl acetate 0.9788 0.4779 1.0737 1.1153 0.8865 1 2.9367 1.2560 0.9473 2.5444 0.8380 methylphosphate Methanolphosphate 0.9579 0.8357 1 1.6246 1.1288 3.4646 1.6107 0.7296 1.6057 0.9714 0.6490 mevalonolactone Mevalonolactone 1.6171 0.5249 1.2652 0.9473 1.6207 1.9296 0.9932 1 1.1552 0.9065 0.6640 N1-Methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide 1.6565 1.5944 0.3078 0.7420 1 2.2623 0.6428 0.6000 1.0417 2.2989 0.7748 N1-Methyl-4-pyridone-3-carboxamide N1-Methyl-4-pyridone-3-carboxamide 1.6053 2.1078 0.9648 1 1.0666 2.5988 0.4815 0.7723 0.9306 2.6957 0.6118 N1-methyladenosine 1-Methyladenosine 1.1690 1.2753 1.1079 0.9338 1.1213 1.4611 0.9200 0.9021 0.9901 0.9205 1 N1-methylinosine 1-Methylinosine 1.5088 1.4415 0.8254 0.9188 1 1.4245 0.5960 0.7398 1.1395 1.3494 0.8293 (N(1) + N(8))-acetylspermidine Asparagine 1.0729 1.5457 1.0054 0.6724 1 0.2859 1.7983 0.9061 0.3638 0.6105 1.1222 N2-acetyl_N6_N6-dimethyllysine N2-Acetyl,N6,N6-dimethyllysine 1.2349 1.4795 0.6291 1.3051 0.9354 1.1508 0.6291 0.8467 0.9327 1.0646 0.6627 N2_N2-dimethylguanosine N2,N2-Dimethylguanosine 1 1.3580 0.8274 0.8253 0.9279 1.1577 1.6478 0.7235 1.0878 1.2934 0.6357 N4-acetylcytidine N4-Acetylcytidine 1.3030 2.0271 0.8397 0.5637 0.7354 2.2398 0.5637 0.5638 1.1603 0.5637 0.5637 N6-carboxymethyllysine N(6)-Carboxymethyl-lysine 1.1465 0.7266 1 1.0745 1.2876 2.5123 0.6789 0.6248 1.4762 0.6553 0.5165 N6-methyllysine N(6)-Methyllysine 0.9303 0.9797 1.1456 1.0592 0.9540 1.1528 1.4628 0.9780 0.8020 1 1.5734 N6_N6-dimethyllysine N(6),N(6)-Dimethyl-lysine 1.0605 1.1402 1.0626 1 1.1158 0.9537 0.8770 0.8667 0.8682 0.8554 1.0011 N6_N6_N6-trimethyllysine N-6-Trimethyllysine 1.1129 0.7800 1 1.1653 1.6344 2.1820 0.8310 0.7930 1.6205 0.6749 0.7406 N-acetyl-1-methylhistidine* N-Acetyl-3-methylhistidine 1 1.5066 0.5390 1.0287 0.7315 1.4385 0.3676 0.7959 1.2001 1.3463 0.4979 N-acetyl-3-methylhistidine* N-Acetyl-3-methylhistidine 1.1701 1.1795 0.4125 0.9938 0.5909 1.0062 0.2966 0.8378 1.3885 1.9808 0.2966 N-acetylarginine N-Acetylarginine 1 0.6462 0.6859 1.1628 0.8389 1.0131 0.7652 1.2356 1.1102 0.9832 1.0901 N-acetylasparagine N-Acetylasparagine 0.7892 0.6034 1 1.0227 0.8198 1.3751 1.2183 1.0958 0.9163 0.8353 1.2734 N-acetyl-aspartyl-glutamate (NAAG) N-Acetyl-Asp-Glu 0.9294 1.0545 1.2407 1 0.9713 1.1948 0.7133 0.8808 1.0412 1.0217 0.8530 N-acetylcarnosine N-Acetylcarnosine 1.2397 1.2103 0.4947 1.3355 0.7509 1.2421 0.6102 0.4947 1.5861 0.7348 0.7897 N-acetylglucosamine/N-acetylgalactosamine N-Acetylhexosamine 0.9757 0.9958 1.0465 1.2293 1 1.4430 0.7955 0.9774 0.8015 1.1589 1.1563 N-acetylglucosaminylasparagine Aspartylglycosamine 1.0911 1 0.9763 1.1812 1.5730 2.6456 0.7509 0.8815 2.2698 0.8356 0.7824 N-acetylglutamate N-Acetylglutamic acid 0.8105 0.8224 0.8297 0.7463 0.6126 1.0258 1 1.0036 1.2695 1.1826 1.1558 N-acetylglutamine N-Acetylglutamine 0.9054 0.8532 1.0091 1.5798 1.2314 1.6197 0.7351 1 0.7540 0.8087 1.2248 N-acetylhistidine N-Acetylhistidine 1.3408 1.3058 0.5924 1.0494 0.7870 1 0.9632 0.9625 1.2285 1.6742 0.8530 N-acetyl-isoputreanine N-Acetylisoputreanine 0.9567 2.0446 0.8752 0.8752 1.0433 0.8752 1.3904 0.8752 0.8752 0.8752 0.9220 N-acetylkynurenine (2) N-Acetylkynurenine 1 0.5496 0.6219 0.5496 0.5496 0.7947 1.6740 1.4686 1.2132 1.3883 0.7162 N-acetylmethionine sulfoxide N-Acetylmethionine sulfoxide 1.2368 0.5485 0.5988 1.5571 0.7067 1.1135 1.2364 1 0.5532 0.6798 1.9092 N-acetylproline N-Acetyl-proline 1 0.3249 0.4505 2.3818 0.8922 1.4495 2.2512 1.0340 0.6924 0.7990 1.6710 N-acetylputrescine N-Acetylputrescine 1.0925 1.3326 1.0257 1 0.9935 1.2915 1.4336 0.9947 0.7048 0.8440 0.9980 N-alpha-acetylornithine N-Acetylornithine 1.0399 0.6732 0.2973 1 0.2973 0.5789 2.1842 0.3936 1.0294 1.9242 0.2973 N-glycolylneuraminate N-Glycoloylneuraminic acid 0.8254 1.0774 1 1.2143 0.9670 3.0489 0.6968 0.8354 1.3151 1.4638 0.9944 nicotinamide Niacinamide 1.2240 1.0762 0.8517 1 1.0388 1.9717 0.8385 0.7738 1.6489 0.9633 0.6205 nicotinamide N-oxide Nicotinamide N-oxide 0.9091 0.5989 1.1182 1.3648 1.1034 1.8573 0.1165 0.6760 1 1.1382 0.5911 nicotinamide ribonucleotide (NMN) Nicotinamide ribotide 1.5343 0.5541 0.9636 1 2.7160 0.5541 2.6353 0.9421 1.7370 0.5541 0.8629 nicotinamide riboside Nicotinamide riboside 1 1.3827 0.2600 1.1918 1.0118 1.0733 0.8195 1.2080 0.9880 0.6895 0.7373 nicotinate ribonucleoside D-Ribosylnicotinate 0.9871 1.0425 0.8379 0.9271 1.1742 0.3718 2.1055 1.7667 1.2584 0.6665 1 N-methylproline N-Methyl-proline 1 0.8580 1.1216 2.7278 1.8488 1.6450 0.8845 0.7749 1.0767 0.9273 0.9124 N-monomethylarginine Targinine 1 1.0708 1.0221 0.9420 1.1433 1.0404 1.0383 0.8230 0.9157 0.8203 0.7714 N_N-dimethylalanine N,N-Dimethylalanine 1.0559 0.9441 4.0694 4.0092 0.1973 0.1973 0.1973 0.2850 0.1973 1.6726 0.7185 N_N_N-trimethyl-5-aminovalerate N,N,N-trimethyl-5-aminovalerate 1.2664 0.7905 1.0469 0.6995 1.2001 1.0265 0.9385 0.9444 1 0.7297 1.0279 N_N_N-trimethyl-alanylproline betaine (TMAP) N,N,N-Trimethyl-alanylproline betaine 0.9614 1.0731 2.3425 0.7420 1 4.1315 0.6572 0.9651 2.1388 0.9007 1.4030 ophthalmate Ophthalmic acid 1.2113 1 0.6892 0.6307 0.7676 1.8290 3.4844 0.7372 3.7020 1.3755 0.7422 ornithine Ornithine 0.9649 1.0630 0.8258 1.2477 0.9493 1 2.1129 1.0284 0.9113 0.8483 1.0436 pantothenate Pantothenic acid 0.7758 1.0797 0.9268 0.9348 0.8201 1.3341 1 1.0212 1.1773 0.8991 1.1227 phenylacetylglycine Phenylacetylglycine 1.1927 1 1.1743 1.4058 1.4507 2.1144 0.2899 0.9764 0.9611 0.7305 0.4807 phenylalanine Phenylalanine 1.1331 1.1170 0.9840 1.1651 0.9602 1 1.5720 0.9504 0.9679 0.8743 1.1014 phosphate Phosphoric acid 1.0110 1 0.9787 1.2744 0.9684 2.5392 0.7722 0.8066 1.0324 1.3788 0.7541 picolinate Picolinic acid 0.7542 0.5970 0.4808 0.5679 0.5373 1 1.1878 1.1238 1.0793 1.1779 1.0789 picolinoylglycine Picolinoylglycine 1.5711 1.3814 0.7860 0.7458 0.4084 5.5468 1 0.8984 1.6862 2.2354 0.5180 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) CAR DC7:0 0.4085 1.3100 1.0560 0.6720 1.6639 0.2451 0.9440 0.8440 2.4421 0.2451 2.3267 pipecolate Pipecolic acid 1.3094 1.2963 0.8907 1 1.1426 1.1925 0.5061 0.7142 0.9827 0.9241 1.0762 pro-hydroxy-pro Pro-hydroxyPro 1.4001 1.5573 1 1.0835 1.2351 0.9721 0.7368 0.5219 1.2598 0.8786 0.6767 proline Proline 1 0.7931 0.8538 1.1204 0.9234 1.6898 1.2899 1.0822 0.9640 0.9388 1.3553 prolylglycine Pro-Gly 1.6406 1.2601 0.7348 1 0.6438 0.8510 1.3889 0.6539 1.1431 1.0103 0.5188 propionylcarnitine (C3) CAR 3:0 0.9588 1 0.7751 1.0302 1.0300 0.5850 1.4931 1.1274 0.9652 0.7228 1.3464 putrescine Putrescine 1.2535 1.1319 1 1.0051 1.0281 1.0947 0.9540 0.9276 0.6830 0.6964 0.9701 pyridoxal Pyridoxal 0.9556 1.0356 1 0.9088 0.7395 1.3516 0.9275 1.0907 0.9504 1.3479 1.2784 pyridoxamine Pyridoxamine 1 0.5755 0.4216 0.4216 0.8299 3.3735 0.8796 1.2479 0.4216 1.7720 1.1299 pyroglutamine* Pyroglutamine 1.0172 1 0.6281 0.8931 0.6827 1.4417 1.4636 0.7170 1.2445 1.4194 0.6403 quinolinate Quinolinic acid 1 0.6593 0.4045 0.8377 0.8321 1.6458 0.7084 1.4963 1.8698 1.3015 1.2652 (R)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 1.1296 1.1054 1 0.9120 0.9315 0.8877 1.4861 1.0788 1.1573 0.7198 0.8987 S-1-pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 0.6164 0.6920 1.0700 1.1749 0.7223 2.4014 1.4684 0.8432 1.1578 0.6291 1 (S)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 0.9880 1.0473 1.3700 0.6862 0.7504 1.9016 1.2240 1 1.5112 0.8001 0.9451 sarcosine Sarcosine 1.0768 1.0527 0.7033 0.8133 0.5924 0.8174 1 1.2352 1.5457 0.5432 1.1166 serine Serine 0.9834 1.0058 1.0211 1.0893 0.9891 1.4470 1.4584 0.9892 0.9670 0.9949 1 serotonin Serotonin 1.5155 1.6056 0.9159 1.3045 0.8890 0.5277 0.8128 1.1186 0.6505 1.3308 1 S-methylcysteine sulfoxide 2-amino-3-methanesulfinylpropanoic acid 0.8130 0.6747 0.6747 0.6747 0.6747 0.6747 2.2688 0.6747 0.6747 0.6747 1.1870 S-methylmethionine S-Methylmethionine 0.0786 0.1333 0.0645 1 1.8324 4.2991 18.7042 7.5125 7.0648 0.5466 0.9013 spermidine Spermidine 1 1.3222 1.2908 0.6121 1.7190 1.3172 0.9365 0.8983 1.5006 0.6136 0.9204 spermine Spermine 0.9472 1.8636 3.1886 0.4630 1 1.2809 0.5440 0.4630 2.9337 0.4630 0.8350 stachydrine Stachydrine 0.2808 0.9851 0.4769 1.2531 0.8130 1.9187 0.4841 2.5042 2.2539 1.4706 1 succinylcarnitine (C4-DC) CAR DC4:0 1.1990 0.7530 1.3087 0.7602 1.0468 4.3283 0.7859 0.8201 2.2125 0.6529 1 taurocyamine Taurocyamine 0.2532 0.2532 0.6474 0.2532 0.2532 1.2708 0.2532 0.2532 1.3074 1.0437 0.9563 thiamin monophosphate Thiamine monophosphate 1.2283 1.6241 1 0.6616 0.7632 0.9461 0.6495 1.3745 1.2820 0.6495 0.6495 thiamin (Vitamin B1) Thiamine 0.9609 1.7704 1.2271 0.8030 1 0.7661 0.2652 1.9825 1.3292 0.8803 1.0282 thioproline Thioproline 0.7542 1.6689 0.6653 0.6913 0.7185 1.6846 0.2480 1.2086 1 1.4056 1.3298 threonine Threonine 1.0564 0.9424 1.0125 1.0638 0.9189 1.2188 1 0.9710 0.8966 0.9179 1.1124 tigloylglycine Tiglylglycine 2.5691 2.2721 0.7193 1 0.8648 0.5333 0.6211 1.0980 1.2040 0.9717 1.4908 tiglylcarnitine (C5:1-DC) CAR DC5:1 0.4104 0.4104 0.6510 0.4104 0.4104 2.0695 1 1.1677 0.9139 0.4104 1.1851 trans-4-hydroxyproline trans-4-Hydroxyproline 1 0.9908 1.0940 1.1485 1.1152 1.4343 0.5881 0.8623 0.6857 0.8807 1.0622 trans-urocanate Urocanic acid 0.5043 1 6.2528 1.0160 0.4606 16.9707 3.0779 0.7625 0.5014 0.6737 2.1972 trigonelline (N^-methylnicotinate) Trigonelline 0.6612 1.3401 0.6567 0.5119 1.1951 1.0699 0.2216 2.5046 0.9218 1 2.4647 trimethylamine N-oxide Trimethylamine N-oxide 1.4464 1.0292 1.3216 1 0.7602 0.7042 0.2665 0.5633 1.0025 0.8735 1.2393 tryptophan Tryptophan 1.0788 0.8481 1.0177 1.1568 0.9559 1 1.5923 0.8596 0.9469 0.8507 1.1821 tyrosine Tyrosine 1.0426 0.9577 1 0.9694 0.9672 1.2054 2.2678 1.0567 0.9265 0.9331 1.6061 uracil Uracil 1.0067 1.1100 0.9698 1 1.2626 1.1017 1.4612 0.9642 0.7686 0.7406 0.8854 urea Urea 1.0007 0.9858 0.9684 1 0.8590 1.2732 0.7417 1.0383 1.1072 1.1437 0.9680 uridine 5^-monophosphate (UMP) UMP 0.9431 1.0686 0.6485 1.5050 0.9552 2.1288 0.6485 1.0448 0.8664 1.1076 0.6807 valine Valine 1.1859 1.0255 0.9983 1.0720 0.8325 0.9894 1.1445 1 0.9413 0.7092 1.1310 valylglycine Val-Gly 0.6156 1.3844 0.6156 0.6156 0.6156 0.6156 0.6156 0.6156 0.6156 0.6156 0.6156 xanthurenate Xanthurenic acid 0.8404 0.8549 0.8169 1.0422 0.8871 2.1773 1 1.4199 0.7742 1.3634 1.2936