Metabolite_name RefMet_name NACH-00288 NACH-00289 NACH-00290 NACH-00291 NACH-00292 NACH-00293 NACH-00282 NACH-00283 NACH-00284 NACH-00285 NACH-00286 NACH-00287 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 GROUP_ID:GOS 1-methyl-4-imidazoleacetate Methylimidazoleacetic acid 0.4020 0.9325 0.9943 1.0057 1.0405 1.1742 0.2020 0.9729 0.5033 1.5858 1.5233 1.9483 1-methyl-5-imidazoleacetate 1-Methyl-5-imidazoleacetic acid 0.6826 1.0117 1.2606 1.0525 0.5319 1.1123 0.2418 0.5518 0.9883 1.0682 0.4410 1.6055 1-methyladenine 1-Methyladenine 0.5309 0.3244 0.7239 1.0172 0.3244 0.3244 1.1144 0.9828 0.3472 1.1805 1.2428 1.1070 1-methylnicotinamide 1-Methyl nicotinamide 0.1748 0.1763 0.1748 0.1748 0.8086 0.1748 1.2412 1.1914 0.1748 2.4792 0.1748 0.1748 1-ribosyl-imidazoleacetate* Imidazoleacetic acid riboside 0.4549 0.4549 0.4549 0.8869 0.4549 0.4549 0.4549 0.4549 0.4549 6.2362 1.1131 0.4549 2_8-quinolinediol Quinoline-2,8-diol 0.5416 0.5416 0.5416 2.9630 0.5416 0.5416 0.5966 0.5416 0.5416 0.8775 1.1225 9.2501 2^-deoxyadenosine Deoxyadenosine 0.7162 0.5969 0.5706 1.1380 0.1035 0.8620 2.6810 0.1035 1.9087 2.7804 0.1035 2.5346 2^-deoxyadenosine 5^-monophosphate dAMP 0.6463 0.6463 0.6463 0.7663 1.7980 0.6463 0.6463 2.7271 0.6463 1 1.6983 0.7633 2^-deoxycytidine Deoxycytidine 0.8119 1.8052 0.7554 0.9521 0.4102 0.5332 1.7344 0.7014 1.2900 1.5702 1.1017 1.0479 2^-deoxycytidine 5^-monophosphate dCMP 0.3493 0.5755 0.3493 1.0188 1.0541 0.3493 0.9682 1.6947 0.3493 0.7205 1.0686 1 2-hydroxyglutarate 2-Hydroxyglutaric acid 0.5059 0.3825 0.8979 1.2299 0.7234 0.5308 1.4103 1.7164 0.3566 1.1021 3.0936 2.9685 2-methylbutyrylcarnitine (C5) CAR 4:0;2Me 0.2935 0.8450 0.2935 0.2935 1.1917 0.2935 0.2935 2.0615 0.2959 0.2935 1.1550 0.2935 2^-O-methylcytidine 2'-O-Methylcytidine 0.7569 0.4261 0.9222 1.0493 1.3155 0.6153 0.9507 1.6969 0.7774 2.0944 2.0103 1.4086 2-oxoarginine* 2-Oxoarginine 0.9890 0.7191 1.1555 1.0990 0.8125 0.9720 1.0111 0.5439 1.0161 1.2564 0.3747 1.0110 2-piperidinone 2-Piperidinone 1 0.3832 0.6850 0.2599 0.2599 5.0058 23.0011 1.4955 0.3689 1.1268 0.4535 3.9447 2-pyrrolidineacetic acid 2-Pyrrolidineacetic acid 0.9414 0.8372 0.7744 2.3334 0.6731 1.4078 0.6332 1.0586 0.5940 2.2377 2.6636 4.6570 3-aminoisobutyrate 3-Aminoisobutanoic acid 0.5999 1.1373 0.5054 0.6188 0.8362 1.7806 0.8627 1.6685 1.8318 1.6935 1.4861 0.6610 3-sulfo-L-alanine Cysteic acid 1.5190 0.9807 1.6523 1.0183 0.7089 0.8330 1.6424 0.4781 0.9555 1.4373 0.9817 2.6332 3-ureidoisobutyrate Ureidoisobutyric acid 1.0365 0.6234 0.9241 1.3318 0.7946 0.7174 3.1009 0.6619 4.1018 2.4624 1.4438 0.9635 3-ureidopropionate Ureidopropionic acid 0.4804 0.3352 0.4941 0.6975 1.7231 0.3170 1.6825 1.2995 0.7848 2.4344 4.1340 1.2152 4-guanidinobutanoate 4-Guanidinobutanoic acid 0.8998 0.9610 1.1723 0.9357 1.4511 0.7536 0.7881 1.3018 1.0390 1.3457 1.3460 0.9068 4-imidazoleacetate Imidazoleacetic acid 0.5955 1.1260 0.4490 0.7729 1.2076 0.4584 1.3912 1.4670 0.7344 2.5046 1.3745 0.8740 5-aminovalerate 5-Aminopentanoic acid 0.7785 0.6124 1.4763 0.8921 0.9640 0.7978 2.2100 1.0360 0.8614 1.6086 2.5555 2.8097 5-hydroxyindoleacetate 5-Hydroxyindoleacetic acid 0.9426 1.8092 1.0574 0.3956 5.2190 0.6932 1.4272 5.9371 0.5641 0.7774 6.5039 0.8613 5-methylthioadenosine (MTA) 5'-Methylthioadenosine 1.2736 0.5901 1.0595 0.6902 0.5018 1.0669 2.8414 1.3445 0.6752 0.5630 0.9405 1.3301 7-methylguanine 7-Methylguanine 0.9586 2.5123 1.0414 0.4897 0.7179 0.9020 4.0805 2.0128 4.7560 1.4886 0.3491 0.4457 acetylcarnitine (C2) CAR 2:0 0.6800 3.9303 0.4869 1.0709 10.1789 0.6773 0.5721 12.6820 0.9291 1.4810 12.6422 0.3744 adenine Adenine 1.0237 1.3206 0.5641 0.9065 1.0654 1.0722 1.1135 0.9763 1.0791 0.8816 0.7658 0.9569 adenosine Adenosine 0.9170 0.7481 0.5846 1.3061 0.4542 1.0830 2.6251 0.6322 1.4168 1.1401 0.8601 1.6669 adenosine 5^-monophosphate (AMP) AMP 0.3429 0.2945 0.2976 2.6146 2.1212 0.3759 1.6096 2.3329 0.5487 0.8823 4.7440 1.1177 agmatine Agmatine 0.3659 0.1742 0.3829 1 0.3942 2.0990 4.2014 0.2066 2.0229 2.0076 0.1742 1.8922 alanine Alanine 0.8710 1.0400 0.8067 0.9874 1.4671 0.6843 1.4611 1.7333 0.8133 0.8678 1.9416 1.0126 alanylleucine Ala-Leu 1.2287 0.1684 1.0229 2.4676 0.9729 0.9771 1.9302 0.7946 0.9217 1.5538 0.1900 2.1181 anserine Anserine 0.2867 0.2867 0.4039 0.2867 1.4873 0.2867 0.2867 1.9805 0.2867 0.2867 10.2520 0.5127 arginine Arginine 0.9452 1.0794 0.9557 0.7728 2.8293 0.5564 1.4981 1.7760 0.9904 1.0096 1.1595 0.7581 ascorbate (Vitamin C) Vitamin C 0.0048 0.0048 0.0048 0.0048 0.7555 0.0048 0.0048 1.2445 0.0048 0.0048 2.0637 0.0048 asparagine Asparagine 0.9814 0.9740 1.0690 1.2333 1.0186 0.6685 1.6481 1.0878 0.5107 0.4850 1.0416 0.5168 aspartate Aspartic acid 0.4248 0.3938 0.4620 1.0367 1.2710 0.5180 1.2673 1.4979 0.4822 0.9633 2.3980 1.4465 beta-alanine beta-Alanine 0.5591 1.0355 0.6744 0.7168 0.9065 0.6981 1.2895 1.4227 0.9645 1.0730 2.1989 1.0728 betaine Betaine 0.7608 2.8441 0.5530 0.5176 5.5936 0.5808 1.0476 6.4375 0.9524 1.0572 6.0020 0.6818 betaine aldehyde Betaine aldehyde 0.8260 13.3633 0.4736 0.4736 16.9616 0.6514 0.4736 15.7484 0.5206 1.0607 22.3274 0.9393 biotin Biotin 1.2536 0.8686 0.9636 0.7955 0.7955 1.1091 0.7955 0.7955 1 1.2886 0.9441 1.1663 butyrylcarnitine (C4) CAR 4:0 0.5014 1.3665 0.4594 0.6558 6.2330 0.5749 0.4170 5.2400 1 1.3135 5.4893 0.4170 cadaverine Cadaverine 0.0720 0.6450 0.0720 0.0720 1.6140 0.0720 0.0720 1.3550 0.0883 0.0720 1.5835 0.0720 carboxyethyl-GABA N-Carboxyethyl-gamma-aminobutyric acid 0.9718 0.5423 1.1163 1.7742 0.4657 1.0800 0.8710 0.7124 0.4352 1.0282 1.5943 2.6650 carnitine Carnitine 0.7320 2.4344 0.7139 0.8586 4.8413 1.0151 0.9329 5.6911 0.9849 0.9841 6.2093 1.0399 choline Choline 0.8992 2.4644 0.9520 0.6788 4.3621 0.7582 0.8823 4.5290 1.0239 1.8791 6.6411 0.9761 choline phosphate Choline phosphate 0.3237 2.9861 0.2714 1.0885 9.1683 0.4067 1.4125 13.6873 0.2187 0.2462 18.2031 0.9115 citrulline Citrulline 1.1148 0.7727 0.8852 1.7003 0.5790 1.4913 1.6097 0.7090 0.6106 0.7974 1.2672 1.7721 creatine Creatine 0.8800 2.2485 0.8754 0.9121 2.4146 0.9831 0.9816 3.8509 1.0174 1.0169 4.5156 0.9568 creatinine Creatinine 0.7565 1.2643 0.4895 0.9655 3.1872 0.6439 0.6124 6.3837 0.8099 3.1620 7.2317 1.0345 cystathionine Cystathionine 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 1 0.7051 0.7051 3.1304 0.7051 cysteine Cysteine 0.9524 0.8339 0.7228 0.9096 3.5127 1.0476 1.4274 4.3351 0.6015 0.7386 4.2749 1.8851 cysteine sulfinic acid 3-Sulfino-alanine 1.1209 1.0274 0.7144 0.6931 1.2157 0.6184 1.1273 0.8866 1.1529 0.6972 0.9726 1.0479 cysteinylglycine Cys-Gly 0.7594 1.2896 0.7540 0.5889 3.1990 1.1640 0.5965 4.0277 0.9076 1.0924 6.7178 0.4663 cysteinylglycine disulfide* Cysteinylglycine disulfide 1.2615 6.8567 0.2503 0.5996 4.4015 0.4081 0.2503 3.9529 0.2503 0.7385 14.6196 0.2974 cystine Cystine 1.1584 1.1240 0.5852 0.8346 1.3869 0.4507 0.8492 0.9990 1.0010 0.6900 3.2057 1.6250 cytidine Cytidine 0.7862 1.0346 0.7031 1.0549 0.9654 0.4888 1.1081 1.3483 1.2390 0.8424 1.1853 0.7491 cytidine 5^-monophosphate (5^-CMP) CMP 0.6365 0.6696 0.7484 1.4425 1.8285 0.4875 2.1009 2.5221 0.8043 0.7704 4.7389 1.1957 cytosine Cytosine 1.0172 0.9828 0.7313 1.1521 0.5416 0.9189 1.3764 0.6082 1.1633 1.2861 0.8200 1.7202 deoxycarnitine 3-Dehydroxycarnitine 1.0413 0.4464 1.0113 0.9887 0.4332 1.2713 1.0426 0.6587 0.4366 0.8644 1.8466 1.4236 diacetylspermidine* 2.2984 0.6611 1.9110 0.2417 0.2417 0.6847 1.1138 0.2417 0.8862 0.6061 1.1742 2.4248 diaminopimelate 2,6-Diaminopimelic acid 1.0114 0.1677 0.6287 1.6706 1.9891 0.9838 1.0620 3.2945 0.8609 0.5443 0.9886 1.5218 dihydrobiopterin 4a-Carbinolamine tetrahydrobiopterin 0.7577 0.8666 0.7907 0.7577 1.1334 0.7577 0.7577 1.3146 0.7577 0.7577 2.1669 0.7577 dimethylarginine (SDMA + ADMA) Dimethylarginine 0.3348 0.6055 0.6415 0.6119 1.9711 0.2721 1.1957 2.9065 0.8043 1.4741 4.7611 1.3703 dimethylglycine Dimethylglycine 0.4373 0.9509 0.4334 0.7281 1.7299 0.4334 1.1023 1.8152 1 1.9697 3.4840 0.5632 ergothioneine Ergothioneine 0.6307 1.9912 1.0979 0.7151 6.4546 0.7449 0.9930 7.9494 1.0070 0.9402 17.7775 0.3766 ethyl alpha-glucopyranoside 1 0.4701 2.9750 0.8298 0.9988 1.2725 0.9595 0.4701 1.5402 2.4695 0.6019 1.3185 formiminoglutamate Formiminoglutamic acid 0.9979 0.3072 0.8787 0.7129 0.7705 0.9781 1.2015 1.5388 1.7743 1.0258 1.0021 1.4165 fructosyllysine Fructosyllysine 0.4450 0.4385 0.9595 0.9474 2.7693 0.2823 1.4827 3.1096 0.7810 1.7100 3.2571 1.0405 gamma-glutamylalanine gamma-Glutamylalanine 0.5906 2.0549 0.5069 1.0533 6.0076 0.6571 1.0103 8.0931 0.5369 0.9897 18.6923 0.7916 gamma-glutamyl-alpha-lysine gamma-Glutamyllysine 0.9077 1.0441 0.7854 1 2.5508 0.7279 1.3453 2.6684 0.6309 0.8951 6.5113 0.6309 gamma-glutamylcitrulline* 0.3542 1.3577 0.3542 1.1684 0.8795 1.1205 0.4013 1.8112 0.3542 0.7072 10.9171 0.8370 gamma-glutamyl-epsilon-lysine Epsilon-(gamma-Glutamyl)-lysine 0.9883 0.7115 1.2558 1.5143 0.7146 0.9904 1.9083 0.8361 1.3858 1.0096 0.6487 1.7327 gamma-glutamylglutamate gamma-Glutamylglutamic acid 0.0509 0.1873 0.0509 0.4985 4.3507 0.3089 0.6667 8.9243 0.0509 1.3333 61.8429 1.7845 gamma-glutamylglutamine gamma-Glutamylglutamine 0.5954 5.3503 0.8343 0.8694 13.6614 0.6821 1.0494 19.9340 0.8421 1.6502 59.8871 0.9506 gamma-glutamylglycine gamma-Glutamylglycine 0.0140 0.1317 0.0140 0.0140 1 0.0140 0.0140 1.4882 0.0140 0.0140 6.2654 0.0140 gamma-glutamylhistidine gamma-Glutamylhistidine 0.0597 0.1889 0.0597 0.0597 1 0.0597 0.0597 2.1590 0.0597 0.0597 5.5055 0.0597 gamma-glutamylisoleucine* gamma-Glutamylisoleucine 0.7784 4.9283 0.9190 1.0014 8.0208 0.9387 0.8550 12.2410 0.9986 1.1227 23.7946 0.8063 gamma-glutamylleucine gamma-Glutamylleucine 0.7808 1.0503 0.7842 0.9497 1.4732 0.5864 1.6713 1.5651 0.6751 0.6466 2.1353 1.1772 gamma-glutamylmethionine gamma-Glutamylmethionine 0.8003 3.9977 0.8220 1.0560 5.9776 0.8679 0.9276 8.7549 0.9296 1.4647 16.7439 0.9440 gamma-glutamylphenylalanine gamma-Glutamylphenylalanine 0.6521 2.7256 0.5760 1.0707 7.2760 0.4651 0.9293 10.3732 0.7997 1.2584 20.1368 0.8426 gamma-glutamylserine gamma-Glu-Ser 0.3409 3.0562 0.3387 0.3760 13.4038 0.5499 0.6199 23.5658 0.4403 1.4778 71.4778 1.3801 gamma-glutamylthreonine gamma-Glutamylthreonine 0.6118 3.3431 0.5980 1.0959 10.7385 0.7232 0.8816 19.5212 0.6436 1.3878 43.6238 0.9041 gamma-glutamyltyrosine gamma-Glutamyltyrosine 0.6578 2.4740 0.6004 1.1072 5.9079 0.6632 1.0025 10.1504 0.5138 0.9975 22.5441 0.7381 gamma-glutamylvaline gamma-Glutamylvaline 0.6105 4.2535 0.9012 0.9751 8.3203 0.8393 0.6105 11.9989 0.6105 1 22.8280 0.6105 glutamate Glutamic acid 0.7115 0.4948 0.8813 1.0484 0.9566 0.6730 1.5155 1.3778 0.5354 1.0434 2.1728 2.1235 glutamate_ gamma-methyl ester Glutamic acid, gamma-methyl ester 0.9350 0.4278 1.0426 0.9574 0.8036 0.7614 1.8841 1.3366 0.4597 1.8645 1.5134 1.7996 glutamine Glutamine 0.9375 1.7155 0.9802 0.8704 2.1332 0.8235 1.9843 2.8515 1.0198 0.9055 3.9834 0.9184 glutaminylleucine Gln-Leu 0.9408 0.5188 0.8787 1.8045 1.1596 0.8978 1.7697 1.0592 0.8136 1.1471 0.2435 1.7701 glutamyl-meso-diaminopimelate 1.0310 0.7204 1 1.3203 0.9206 1.1622 2.8928 0.6424 0.8107 0.5511 0.5511 2.7022 glycerol 3-phosphate sn-Glycero-3-phosphate 0.4075 1.1228 0.2464 1.2677 20.1279 0.4115 0.6979 12.6462 0.5529 0.8772 34.4556 1.7370 glycerophosphoethanolamine sn-Glycero-3-phosphoethanolamine 0.8133 3.1750 0.7354 0.9853 3.6851 0.6615 0.7665 1.9563 1.2811 1.0147 2.8403 0.7979 glycerophosphoinositol* sn-Glycero-3-phosphoinositol 0.7241 4.7836 0.4751 0.4510 21.5751 0.3096 0.8047 10.9824 0.5422 1.1953 6.5667 1.9765 glycerophosphorylcholine (GPC) sn-Glycero-3-phosphocholine 0.9741 4.9861 0.5756 0.8811 22.4363 0.7636 0.8284 11.2354 1.3924 1.0259 16.7551 0.9510 glycerophosphoserine* sn-Glycero-3-phosphoserine 0.1836 2.9292 0.3444 0.1836 22.4361 0.1836 0.1836 2.9775 1 0.7385 5.1106 0.7789 glycine Glycine 0.6400 1.2076 0.7950 0.8135 2.3655 0.5382 1.2591 3.1202 0.7431 0.9471 5.6000 1.0529 glycylisoleucine Gly-Ile 1.1334 0.9781 0.9500 1.3281 1.4322 0.6597 1.8261 1.0219 0.9614 0.7940 0.3527 1.3470 glycylleucine Gly-Leu 1.1151 0.6550 0.9262 1.3302 0.7263 0.7565 1.9679 0.5367 1.0738 1.1155 0.2705 1.3419 glycylvaline Gly-Val 1.0958 0.8977 0.9245 1.4895 1.0421 0.7952 2.0914 1.1233 0.9579 0.8645 0.3966 1.4906 guanidinoacetate Guanidoacetic acid 0.8509 2.1751 0.3360 0.6711 1.5629 0.6784 1.1491 2.9666 0.5962 3.8025 3.2724 0.3272 guanine Guanine 1.1610 0.2247 1.2724 2.7169 0.0876 0.5256 1.8374 0.0855 1.1232 0.8768 0.0700 1.5471 guanosine Guanosine 0.9649 2.0200 0.9644 1.7557 1.1036 0.4795 0.8352 1.0351 2.6898 1.2980 0.4287 0.7240 histidine betaine (hercynine)* Hercynine 0.6199 2.0969 0.6199 0.7952 0.8470 0.6199 0.6199 1.1530 0.6199 0.6199 2.9980 0.6199 histidylalanine His-Ala 0.9843 1.5094 0.8843 1.1539 2.9010 0.5463 1.9165 1.7664 0.6917 0.7146 0.4058 1.0157 homocitrulline Homocitrulline 0.8877 0.6704 1.1793 0.3557 0.3557 1.1123 2.4109 0.4535 0.3731 0.3557 1.6228 2.6355 homocysteine Homocysteine 0.4842 0.4842 0.4842 1 1.3172 0.5546 0.7814 1.7419 0.6284 0.4842 2.2502 1.1306 hydroxymethylpyrimidine 4-Amino-5-hydroxymethyl-2-methylpyrimidine 0.8521 0.4236 1.0758 1.1554 0.4558 0.9913 2.0664 0.6408 1.0087 1.4670 0.5973 1.9935 hypotaurine Hypotaurine 0.4806 2.1424 0.9858 0.5442 11.2197 0.5833 1.8596 13.7789 0.8970 1.0142 16.0389 0.6484 hypoxanthine Hypoxanthine 0.7819 0.9744 0.8805 0.9875 1.7045 0.7622 1.3689 2.1963 0.6867 1.0125 3.1189 1.3440 imidazole lactate Imidazolelactic acid 1.2678 0.6307 0.7322 1.3222 1.7664 0.6878 0.6840 2.0861 0.6873 4.1395 1.9695 0.6598 imidazole propionate Imidazole propanoate 1.5548 0.0953 0.8724 1.1276 0.7876 0.2906 2.2335 0.4866 0.2676 1.4535 2.5231 1.8319 indolin-2-one Indolin-2-one 1.0854 0.4363 1.4306 1 0.2303 2.8405 11.4812 0.4698 0.4611 1.3816 0.2303 0.7584 inosine Inosine 0.9688 2.3148 0.9829 0.7867 2.3391 0.9887 0.9516 2.5384 1.6441 0.9515 4.4785 1.0113 isobutyrylcarnitine (C4) CAR 3:0;2Me 0.6713 3.2234 0.3710 1 5.4273 0.9719 0.4381 8.0927 0.9896 1.1906 3.1550 0.3710 isoleucine Isoleucine 0.8725 1.1460 0.8369 1.0100 1.3179 0.7066 1.5371 1.3035 0.8320 0.7285 1.0167 0.9900 isovalerylcarnitine (C5) CAR 4:0;3Me 0.0978 0.5953 0.0978 0.0978 1.5484 0.0978 0.0978 1.9550 0.2205 0.0978 1.4047 0.0978 kynurenine Kynurenine 0.6206 1.0622 0.8890 0.7592 2.3041 1.3000 1.1090 1.8460 0.9378 0.8194 7.6854 0.9270 leucine Leucine 0.8662 1.1224 0.8499 0.9814 1.4839 0.6612 1.5746 1.5167 0.8882 0.8447 1.2158 1.0186 leucylalanine Leu-Ala 1.0251 0.2466 0.9560 1.9317 0.3105 1.0458 1.9644 0.2156 0.7133 1 0.2156 2.1411 leucylglutamine* Leu-Gln 1.4064 0.2401 1.0100 1.9335 0.2418 0.9900 1.5202 0.2224 0.9276 1.6217 0.0970 1.4751 leucylglycine Leu-Gly 1.1832 0.2788 1.0501 1.7442 0.4983 0.9499 1.9592 0.3184 0.9052 1.1871 0.1108 1.7162 lysine Lysine 0.9878 0.8958 1.0122 0.8617 1.9611 0.7188 1.6915 1.5975 0.8783 0.8243 1.5563 1.1003 lysylleucine Lys-Leu 0.7463 1.2054 0.6550 2.2941 2.0057 0.5592 1.8159 0.7760 0.7946 1.2986 0.1407 2.3266 malonylcarnitine CAR DC3:0 0.4049 1 0.9867 1.3329 2.5673 1.5513 0.4639 1.7477 0.1896 0.1896 1.0895 0.4529 methionine Methionine 0.8716 0.9965 0.8923 1.0035 1.2830 0.6511 1.5058 1.4297 0.8614 0.8329 1.2658 1.0301 methionine sulfoxide Methionine sulfoxide 0.9870 0.9783 1.0387 1.3046 0.9366 0.8308 1.3837 1.0477 1.1196 0.9528 0.8644 1.0130 methylphosphate Methanolphosphate 0.5364 0.1553 0.7885 2.1110 0.3258 1.2115 1.8177 0.4842 1.5358 3.0024 0.2692 2.4598 mevalonolactone Mevalonolactone 0.4726 0.5709 0.1840 0.1840 0.4587 1.3584 0.1840 1.0605 0.1840 1.0918 1 1.4458 N1-Methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide 1.7490 0.7637 1.1398 0.7194 1.5984 1.5400 0.6892 0.8602 2.1642 3.8989 0.8180 0.3721 N1-Methyl-4-pyridone-3-carboxamide N1-Methyl-4-pyridone-3-carboxamide 1.3633 1.0233 1.1895 0.9621 0.9767 1.2997 0.4912 0.7005 1.4465 2.4696 0.6509 0.8070 N1-methyladenosine 1-Methyladenosine 0.5493 1.2085 0.4906 0.6894 2.5217 0.7915 0.3636 3.6908 1.5010 1.5521 5.8090 0.1690 N1-methylinosine 1-Methylinosine 1.3052 0.6010 0.6010 1.3772 0.6010 0.6010 0.8089 0.6705 1 1.9873 0.6488 1.0282 N1_N12-diacetylspermine N1,N12-Diacetylspermine 3.9109 1.1361 1.9355 1.4648 0.5479 0.6571 1.2931 0.2848 0.8639 0.2221 0.4659 2.3983 (N(1) + N(8))-acetylspermidine Asparagine 0.9181 0.6813 1.0113 1.2472 1.6067 0.8311 0.9887 1.1927 0.6744 0.5223 2.1985 1.4421 N2-acetyl_N6-methyllysine N2-Acetyl,N6-methyllysine 1.7598 0.6650 1.2884 0.6338 0.3940 0.3940 1.9567 0.3940 0.7116 0.3940 0.3940 2.4848 N6-carboxymethyllysine N(6)-Carboxymethyl-lysine 0.7585 0.9387 0.8827 1.0613 1.8785 0.5585 1.2081 2.3029 0.6581 0.5972 4.7850 1.3289 N6-methyladenosine N6-Methyladenosine 0.8401 1.2536 1.3095 0.5467 0.7880 0.7588 1.3888 0.9586 1.0414 0.2384 1.2750 1.2106 N6-methyllysine N(6)-Methyllysine 1 0.3106 0.9980 0.7103 1.5949 0.3854 4.0070 2.2735 0.3106 0.9074 6.0703 2.4722 N6_N6_N6-trimethyllysine N-6-Trimethyllysine 0.5530 0.6662 0.9013 0.8189 2.1977 0.4737 1.3594 2.1286 0.7576 1.0987 3.1439 1.2083 N6-succinyladenosine Succinyladenosine 0.0839 0.0839 0.0839 0.0839 1 0.0839 0.0839 1.6176 0.0839 0.0839 2.7014 0.0861 N-acetyl-1-methylhistidine* N-Acetyl-3-methylhistidine 0.3265 0.3265 0.5259 1.3166 0.3265 0.3265 0.3265 0.3265 0.3265 4.0666 0.8068 1.1932 N-acetyl-3-methylhistidine* N-Acetyl-3-methylhistidine 0.8739 0.3288 1.7171 0.3556 0.5118 1.9810 0.3242 1 1.7779 1.4516 0.3242 2.3711 N-acetylarginine N-Acetylarginine 0.8993 0.5188 1.1454 1.1007 0.7011 0.8610 1.3373 0.7778 0.8091 1.5253 1.9313 3.1868 N-acetylasparagine N-Acetylasparagine 1.1411 0.9926 1.0916 1.5377 1.0962 1.2650 1.0074 0.5069 0.6429 0.9767 0.4794 0.9425 N-acetyl-cadaverine N-Acetylcadaverine 0.9543 0.3084 1.0457 0.3521 1.2323 0.6294 2.5751 1.8896 1.5965 0.7111 0.6566 1.4043 N-acetylcysteine N-Acetylcysteine 0.6762 0.3791 0.5488 1.0960 1.6754 0.9040 0.7856 1.7798 0.7268 2.8838 1.6730 1.5334 N-acetylglucosamine/N-acetylgalactosamine N-Acetylhexosamine 0.9136 0.8939 1.0864 1.7686 0.8070 0.8363 1.4108 0.7923 1.1111 2.2649 0.7309 1.6434 N-acetylglucosaminylasparagine Aspartylglycosamine 0.5119 0.5119 0.7029 0.9896 1 0.7518 1.7592 0.8060 1.0617 1.1794 1.8134 1.6079 N-acetylglutamate N-Acetylglutamic acid 0.7255 0.4765 1.0091 1.6524 0.8029 1.0927 1.3972 0.6719 0.5747 1.1273 0.9909 2.7871 N-acetylglutamine N-Acetylglutamine 0.6842 0.5611 1.0547 1.4798 0.7972 1.0606 0.9453 0.7323 0.6299 2.0687 1.1869 1.4263 N-acetylhistamine N-Acetylhistamine 1 2.4154 0.6846 0.6083 0.9347 0.6083 22.1578 0.6083 3.8367 0.6083 0.7989 1.0863 N-acetylhistidine N-Acetylhistidine 0.8690 0.6938 1.0831 1.5939 0.8639 1.0849 1.1936 0.5490 0.5244 1.7128 0.9169 2.6410 N-acetyl-isoputreanine N-Acetylisoputreanine 0.5087 0.5747 0.8487 0.5087 1.8740 1.2004 0.6886 1.3218 1 0.8331 2.3646 1.7679 N-acetylmethionine sulfoxide N-Acetylmethionine sulfoxide 1.0041 0.4721 0.9959 1.1745 1.2052 1.2297 0.8428 0.7831 0.5721 1.0989 0.7642 1.5916 N-acetylneuraminate N-Acetylneuraminic acid 0.8086 0.7051 0.7858 2.1479 1.0627 0.6271 1.1001 1.2473 0.8571 1.8171 0.9373 1.4396 N-acetylproline N-Acetyl-proline 0.7238 2.5519 1.1588 0.9784 1.3560 1.0216 0.6981 0.9362 0.6422 0.6594 1.3813 2.7794 N-acetylputrescine N-Acetylputrescine 0.8531 0.4834 0.5740 1.1366 1.8446 0.8307 0.8734 2.1114 0.6529 1.1266 6.0590 4.5375 N-acetylserine N-Acetylserine 0.8375 1.0347 0.7326 0.8472 2.4230 0.7373 1.4166 2.3347 0.8241 0.9807 2.5150 1.0193 N-alpha-acetylornithine N-Acetylornithine 0.9146 0.7980 0.9096 1.2078 0.7711 1.5864 1.1046 0.6488 1.3906 0.6495 1.0854 1.4894 N-carbamoylputrescine N-Carbamoylputrescine 0.5001 0.4425 0.8644 1.1356 0.3466 0.5119 5.0650 1.8294 1.9409 1.7646 0.5490 2.5875 N-glycolylneuraminate N-Glycoloylneuraminic acid 0.4159 1.9141 0.2631 1.6375 4.9919 0.1904 0.3670 8.7712 0.3990 1.4781 10.3168 0.5219 nicotianamine (R,S,S)-Nicotianamine 0.4378 1.0015 0.4378 0.4378 1.6684 0.8807 1.2837 1.5271 0.9985 1.2457 0.8742 0.4748 nicotinamide Niacinamide 1.2820 14.5923 1.0648 0.8861 19.4264 2.8839 0.9352 0.8538 0.8722 0.5869 0.5944 1.3722 nicotinamide N-oxide Nicotinamide N-oxide 0.4909 0.4909 0.4909 0.9406 1.0594 0.4909 0.4909 0.5409 0.4909 6.1537 1.5818 0.4909 nicotinamide riboside Nicotinamide riboside 1.1771 0.5239 1.0151 1.7495 0.7824 1.2490 1.2967 0.3983 0.8449 0.9849 0.6312 1.4241 nicotinate Nicotinic acid 0.7243 0.7661 1.0073 0.8999 0.9927 0.7674 1.4400 1.6054 0.7357 1.0282 2.9482 1.5807 nicotinate ribonucleoside D-Ribosylnicotinate 1.2395 0.6539 1.5706 0.6396 0.5422 0.9116 3.1778 1.0382 0.9618 1.2739 0.8397 3.7389 N-methylalanine N-Methylalanine 1.2516 0.9026 0.8987 2.2754 0.6942 1.2440 0.9835 0.5924 1.2657 1.0165 0.5192 1.6544 N-methyl-GABA 4-(Methylamino)butyric acid 0.6555 1.4204 0.8285 0.5858 0.4364 1.1967 0.4364 1.1715 0.4364 0.6083 1.8320 1.9066 N-methylhydroxyproline** N-Methyl-4-hydroxyproline 0.2368 1.2546 0.2368 0.7008 2.2704 0.2368 0.3761 3.3802 0.3461 1 3.7664 0.2368 N-methylproline N-Methyl-proline 0.9729 2.0476 1.2730 1.5244 0.8633 1.3634 1.0271 0.5981 0.6679 0.5408 0.3821 1.6756 N-monomethylarginine Targinine 0.3681 0.9821 0.3681 0.4031 3.6445 0.3681 1.0179 5.9243 0.3681 0.8674 7.4632 0.3681 N_N-dimethyl-5-aminovalerate N,N-Dimethyl-5-aminovaleric acid 0.7973 0.6325 1.5225 1.2592 1.0072 1.5192 0.6916 0.8716 0.9928 4.3761 0.6909 2.5720 N_N-dimethylalanine N,N-Dimethylalanine 0.6610 1 1.9399 1.2977 0.8329 1.2680 0.3905 0.2933 1.7568 0.8435 0.2933 1.0441 N_N_N-trimethyl-5-aminovalerate N,N,N-trimethyl-5-aminovalerate 0.7871 0.8556 1.0408 0.9386 1.7528 0.7022 1.1558 2.1092 0.5984 0.9592 2.7365 1.4653 N_N_N-trimethyl-alanylproline betaine (TMAP) N,N,N-Trimethyl-alanylproline betaine 0.2709 1.2148 0.2182 0.2182 3.9267 0.2917 1 3.6564 0.2606 2.8007 6.1131 0.6330 ornithine Ornithine 0.8624 0.6547 0.7082 0.7790 2.3907 0.8048 1.3267 3.2232 1.1376 0.6238 5.9039 1.4867 o-Tyrosine o-Tyrosine 0.5228 1.3400 1.1190 0.7182 0.5228 0.8296 1.2069 0.5228 0.5228 0.6763 1 1.0789 pantetheine Pantetheine 0.7998 0.3797 0.9604 1.9725 1.4235 1.0396 3.2781 2.2073 0.4146 0.8248 0.4458 2.2748 pantothenate Pantothenic acid 0.7267 0.4838 0.8559 1.0581 0.9419 0.4203 1.9744 1.2677 0.5019 1.1300 1.9966 1.5545 phenylalanine Phenylalanine 0.9164 0.9377 0.8785 1.0623 1.2746 0.6865 1.6043 1.3272 0.9319 0.8817 1.1749 1.0867 phenylalanylalanine Phe-Ala 0.9843 0.8812 0.8622 1.5508 1.9651 1.0157 2.0063 1.1692 0.8327 0.9795 0.2960 1.4748 phenylalanylglycine Phe-Gly 1.2130 0.7262 1.1011 1.5164 0.9011 0.9020 2.3175 0.7023 0.9532 1.0468 0.5298 1.3757 phosphate Phosphoric acid 0.3851 0.0947 0.4380 1.5099 0.4966 0.9606 1.0394 1.0554 0.5773 1.3311 1.7773 1.5268 picolinate Picolinic acid 1.1817 0.9761 0.8954 1.0569 1.0513 1.5585 0.9066 0.5651 1.0239 0.6070 0.6565 1.3689 pipecolate Pipecolic acid 0.9944 0.7632 1.0081 0.9193 1.0056 0.8957 1.6622 0.9125 0.8200 1.6958 2.4472 1.8249 proline Proline 0.8384 0.9553 0.7828 1.0447 1.4403 0.6273 1.2424 2.0489 0.8028 0.9020 2.0442 1.1165 prolylglycine Pro-Gly 0.8049 2.8454 0.5883 0.8305 1.6113 0.5198 0.8285 2.9308 2.6694 1.0467 1.7271 0.9533 propionylcarnitine (C3) CAR 3:0 0.5234 10.6543 0.3360 1.1997 5.2039 0.5252 0.4214 8.4606 0.9173 1.0827 4.1186 0.1036 pterin Pterin 1.4078 0.3633 0.9954 1.0046 0.1457 1.3191 1.8821 0.1153 0.1763 0.9621 1.0091 1.2003 putrescine Putrescine 0.6243 0.3377 0.4543 3.3486 3.5276 1.7875 0.2942 1.4655 0.2942 0.4095 2.2748 1 pyridoxal Pyridoxal 0.8787 0.8571 0.8632 1.1282 0.5512 0.9560 1.1361 0.8677 1.0440 1.5472 1.3329 2.0103 pyridoxamine Pyridoxamine 1.3192 0.6019 1.1998 1.1973 0.4553 1.0501 1.5660 0.6154 0.7994 0.9499 0.7585 1.3549 pyroglutamine* Pyroglutamine 1.8443 0.8918 1.6839 0.3802 0.9281 1.7333 1.5692 0.3802 0.5696 1 0.6568 1.5335 quinolinate Quinolinic acid 0.7001 0.2308 0.4674 1.3494 0.9790 1.0676 0.4502 1.2021 0.5905 1.7414 1.0210 2.6946 (R)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 0.5278 1.9628 0.4943 0.4943 5.3830 0.4943 1 9.4843 0.4943 0.5280 17.4807 0.5422 riboflavin (Vitamin B2) Riboflavin 1.4762 0.6962 1.4404 1.4188 0.4012 0.9274 2.1169 0.4742 0.8957 1.0698 0.9302 2.1398 S-1-pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 0.9748 1.3705 0.7052 0.5818 1.6697 0.8555 0.9302 1.2583 1.0252 0.7522 1.7152 1.1039 (S)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 0.7489 4.1358 0.9720 1.0280 7.8223 0.8729 0.9113 11.0944 0.7385 1.3065 16.3468 0.5856 sarcosine Sarcosine 1.3634 0.9397 0.8364 0.5491 1.6379 1.0603 0.6540 2.5335 1.7904 0.8148 0.2778 2.5742 serine Serine 0.7267 1.1396 0.7859 0.9682 1.6145 0.6008 1.3058 2.2162 0.8608 0.9133 2.6142 1.0318 serotonin Serotonin 1.1645 0.1132 1.0629 1.4406 0.8229 1.3275 0.7635 0.1132 0.3966 0.9371 0.1132 1.3557 S-methylcysteine Methylcysteine 0.2465 0.2465 0.2465 0.2465 1.0209 0.2465 0.2465 0.9791 0.2465 0.2465 3.2422 0.2465 S-methylmethionine S-Methylmethionine 0.2742 0.2742 0.2742 0.2742 0.2742 0.8234 3.0432 2.3158 1 0.2742 0.2742 0.2742 spermidine Spermidine 0.9935 0.7698 0.9627 1.0065 0.4721 2.4467 3.9282 0.4535 1.8418 1.8062 0.5817 4.5669 stachydrine Stachydrine 0.3211 0.8453 0.8867 0.8104 0.4860 0.8296 1.1746 1.1133 1.6418 2.2604 2.2213 2.7752 succinylcarnitine (C4-DC) CAR DC4:0 0.3837 0.9964 1.1392 0.3837 2.2982 1 0.9504 2.8036 1.7420 0.7364 2.6586 0.5080 taurine Taurine 0.4299 1.2911 0.9785 0.3267 2.8216 0.7304 0.7722 3.4341 1.7128 1.0215 5.7986 0.4460 thiamin monophosphate Thiamine monophosphate 0.5917 0.5917 0.5917 0.5917 1 0.5917 0.6592 1.5758 0.5917 0.5917 5.3369 0.5917 thiamin (Vitamin B1) Thiamine 0.9693 0.6026 1.2105 1.9071 1.0307 0.6915 1.3561 0.9281 0.5847 1.5754 0.9022 2.3614 thioproline Thioproline 0.9404 0.6968 0.6695 0.6140 5.2180 1.0596 2.1216 4.1713 0.3848 0.5960 4.1604 1.5390 threonine Threonine 0.8084 1.3476 0.7789 1.0233 1.8485 0.6432 1.5682 2.2984 0.7949 0.8618 2.2408 0.9767 trans-4-hydroxyproline trans-4-Hydroxyproline 0.9247 3.6379 0.9377 1.0047 8.6944 0.8840 0.5126 6.7088 0.8294 1.3476 18.7525 0.9953 trans-urocanate Urocanic acid 1.1216 0.5885 1.2123 1.8191 0.5079 0.9897 1.2145 0.5316 0.5305 1.0103 0.3802 1.1365 trigonelline (N^-methylnicotinate) Trigonelline 0.3717 0.3682 0.3550 1.9289 0.9753 1.0247 1.1139 1.9220 0.5289 3.7871 1.1691 0.8135 trimethylamine N-oxide Trimethylamine N-oxide 0.6313 2.7360 0.5046 0.8913 1.3853 0.4803 1.0490 1.1648 0.3166 4.3417 3.1961 0.9510 tryptophan Tryptophan 0.9731 0.9648 1.0068 0.9932 1.1087 0.7312 1.7040 1.0701 1.0680 0.8563 0.9181 1.0607 tryptophylglycine Trp-Gly 1.0790 0.6563 0.7067 1.7938 0.8958 1.0035 1.8615 0.3282 0.9529 1 0.3282 1.4622 tyramine Tyramine 1.3812 0.7389 0.7272 1.1816 0.8184 1.4559 0.3752 0.3752 0.3752 0.3752 0.3752 1.2226 tyrosine Tyrosine 0.9253 0.8996 0.8099 1.0747 1.5306 0.7112 1.9132 1.3466 0.8215 0.8274 1.2488 1.3298 uracil Uracil 0.5040 0.7700 0.5601 1.0813 1.4401 0.4005 1.1509 2.0631 0.6006 0.9187 3.1719 1.2895 uridine 5^-monophosphate (UMP) UMP 0.3221 0.3221 0.3221 4.0779 0.3221 0.3221 1.6165 0.3221 1 1.1961 0.7285 0.3865 valerylcarnitine (C5) CAR 5:0 0.3392 1.1922 0.3392 0.3392 2.5273 0.3392 0.3392 1.4620 0.8078 0.3392 0.5662 0.3392 valine Valine 0.8490 1.2056 0.9406 0.9969 1.4524 0.6899 1.4813 1.5484 0.9767 0.8072 1.3701 1.0031 valylglutamine Val-Gln 1.1851 0.1346 1.0131 1.4709 0.7532 1.4645 1.5571 0.3520 0.8747 1.6345 0.1360 0.9869 valylglycine Val-Gly 1.2074 0.5570 1.0577 1.5270 0.9134 0.8920 2.0980 0.7162 0.9423 1.3230 0.5102 1.4735 valylleucine Val-Leu 1.0032 0.1062 1 1.8286 0.1123 0.5948 1.3020 0.1512 0.8032 1.1101 0.1062 1.9435 xanthine Xanthine 0.5151 1.0133 0.6456 1.0344 2.0960 0.4851 0.9867 3.1823 0.5514 0.8001 5.5463 1.1881 xanthurenate Xanthurenic acid 1.0125 1.1202 0.9875 0.9294 1.3661 1.8302 0.3621 0.7470 1.1699 2.1428 0.3641 0.8551