metabolite_name 6924 6914 6991 5111 7001 7002 7003 7004 7005 6541 2891 2831 7011 7022 7021 asparagine 0.5969 1 1.8192 0.586 1 1.0967 0.9931 1.2113 1.1082 1.1288 0.7907 1.1057 0.893 1.4129 1.238 aspartate 1.8336 0.7587 2.2438 0.865 0.9242 0.9444 1.4423 1.02 1.8568 1.0241 1.046 1.4186 1.3077 1.1297 0.9946 hydroxyasparagine 0.8465 1.0188 0.5627 2.5785 1.0198 1.098 0.865 0.8575 0.8312 1.4381 0.7543 0.3748 1.3059 0.7686 0.9584 N-acetylasparagine 0.9108 1.2245 0.5392 1.2003 0.8483 0.946 0.6658 2.3521 2.0921 0.729 0.6086 1.0405 1.2446 1.5173 1.374 creatine 1.7749 0.7164 0.9921 1.1072 1.0963 1.5161 1.1872 0.7484 0.762 0.6965 0.7718 0.8682 0.9553 1.18 1.0079 creatinine 1.0939 0.7839 0.8654 1.0976 1.2029 1.4234 1.1455 0.9348 0.9219 0.9003 0.7553 0.6259 1.0076 0.9748 0.9971 carboxyethyl-GABA 2.6333 1.2201 0.9125 0.9999 0.6251 0.9519 0.6561 0.9295 1.1208 1.2303 1.4265 1.3653 0.6969 0.9211 0.6408 glutamate 1.8872 0.911 1.4062 1.2344 1.1131 1.124 1.5675 1.1705 1.6021 0.913 1.017 1.2146 0.8959 0.8506 0.8109 glutamine 0.8528 0.9366 0.9643 1.2144 0.863 0.7912 0.9158 1.0201 0.9727 1.0066 1.1156 1.0566 1.0133 0.9218 0.98 N-acetyl-aspartyl-glutamate (NAAG) 0.8689 0.2009 0.825 1.0601 0.9059 1 0.5767 1.2716 1.1934 0.2009 0.2009 1.146 1.3148 1.7222 1.3008 N-methyl-GABA 4.2258 1.0179 0.9657 1.7691 0.6253 0.5394 0.6213 0.7922 0.9646 1.2371 1.3598 1.3024 0.7884 0.7073 0.7159 pyroglutamine 1.0034 1.2722 0.7805 1.3148 0.61 0.5665 0.6234 0.6735 0.6523 1.6476 1.1988 1.2606 1.3089 1.1395 0.9155 S-1-pyrroline-5-carboxylate 3.093 1.2468 0.7011 1.2008 0.4329 0.5342 0.3459 1.7614 1.6543 1.6957 1.5469 2.2833 0.9987 1.7544 1.7044 2-aminobutyrate 0.7339 1.0135 1.106 0.5466 0.9949 1.0828 0.8148 0.705 0.7935 0.8457 0.7813 1.3155 1.0781 1.4415 1.0747 cysteine-glutathione disulfide 1.3092 0.7425 0.9412 1.7459 1.9856 2.0456 2.03 0.5403 0.6861 0.6405 0.8605 0.8122 0.9049 1.15 0.8994 cysteinylglycine disulfide 0.3296 0.6599 5.3296 5.3129 0.8141 1.0785 0.3296 0.8081 0.6675 0.6833 0.6509 1.6546 1.2107 1.3779 0.9956 glutathione, oxidized (GSSG) 5.0449 0.7139 0.2853 2.2592 2.0331 1.8514 4.8161 0.5583 0.6551 0.6669 1.1148 0.7678 0.505 0.549 0.5952 betaine 1.0088 0.7368 1.3993 0.4953 0.6646 0.7594 0.7848 1.6365 1.1864 0.7485 0.6178 0.8401 1.3279 1.2209 1.3554 dimethylglycine 1.2674 0.9985 1.5406 1.0669 0.6668 0.8146 0.7123 0.976 0.8874 1.6584 0.8418 1.0015 1.1833 1.4085 1.5111 glycine 0.8562 0.7472 1.1725 0.5208 0.8708 1.1029 0.9127 1.2139 1.3531 0.6404 0.7726 0.7388 0.995 1.1172 1.117 sarcosine 2.0367 1.0167 2.0178 0.7461 0.4532 0.765 0.62 2.2132 1.8792 0.8597 0.9754 1.3948 1.4549 2.7112 3.0033 serine 0.8848 1.0456 0.9581 0.4453 0.8067 0.9835 0.837 1.0989 1.0782 1.0204 0.8616 1.2053 0.8687 1.2946 1.2393 threonine 0.9237 1.0955 1.315 0.4285 0.8786 0.9998 0.9821 1.6528 1.5595 1.0791 0.9757 1.2158 1.0158 1.6634 1.6856 4-guanidinobutanoate 2.2989 1.2384 1.1082 1.3583 0.403 0.3682 0.664 1.4397 1.2668 2.0092 1.45 1.5342 0.857 1.0748 1.113 guanidinosuccinate 1.4166 0.3176 0.7678 2.9514 0.3176 0.6198 0.4954 0.3176 0.3176 2.224 1.1172 0.3176 0.3176 0.3176 0.3176 1-methyl-4-imidazoleacetate 1.4256 1.5314 2.0367 1.9729 0.6058 0.5767 0.6142 0.5935 0.5504 1.4668 0.7987 1.0639 0.8762 0.7284 0.648 1-methylhistamine 1.9028 0.8146 1.2277 1.3387 0.4365 0.4395 0.7568 0.9537 1.3436 1.7496 1.7718 2.337 1.6913 1.6121 1.4421 1-ribosyl-imidazoleacetate 1.1342 0.9202 0.6298 0.5668 1.017 1.0268 0.983 0.866 0.7231 1.2859 0.8465 1.4402 1.7846 1.6327 1.3383 4-imidazoleacetate 1.3386 0.8679 0.7462 0.9116 0.618 0.6698 0.7203 1.2462 1.2214 1.2285 1.1333 1.2928 1.0074 1.3348 0.9848 anserine 3.6793 0.2437 0.2865 0.8028 3.5935 8.7341 6.8059 1.0513 1.2311 0.4314 0.4546 0.2227 1.3299 1.3071 1.2247 carnosine 2.0212 0.297 0.5176 0.6613 2.0467 5.507 3.9593 0.7849 0.9849 0.4304 0.5672 0.4524 1.1444 1.2605 0.9962 formiminoglutamate 7.1191 5.1606 1.3161 2.3977 0.4278 0.7049 0.5791 0.2525 0.24 2.102 1.9966 1.2761 0.22 0.4326 0.5152 histamine 2.4426 0.3763 1.1182 3.104 0.6793 0.7067 1.0738 0.405 0.857 2.8769 6.839 2.1301 1.379 1.82 1.3963 imidazole propionate 0.9976 1.6511 0.5968 0.3545 0.7419 0.4412 1.1006 0.2451 0.9347 2.02 0.9219 1.352 0.434 0.5038 0.3339 N-acetyl-1-methylhistidine 0.6676 0.8977 0.6019 2.6937 1.2591 1.5865 0.8399 0.7422 0.9211 1.1694 0.3495 0.4492 1.3445 1.2424 1.1325 N-acetyl-3-methylhistidine 0.6663 0.5347 0.358 0.358 0.358 3.6648 0.5141 0.4678 0.358 0.5793 0.358 0.7446 1.9562 2.3812 1 trans-urocanate 0.2405 0.1757 1.3378 0.4308 0.4492 1.1252 1.2021 0.7495 0.8068 2.5804 3.6942 1.3301 1.884 1.8141 1.3037 2-methylbutyrylcarnitine (C5) 0.9302 0.805 0.9548 0.8825 1.1903 1.9371 1.1448 1.6555 1.878 1.6145 1.5185 1.5064 1.8403 1.5771 1.1469 3-methylcrotonylglycine 0.603 0.601 0.3134 0.4194 1.3766 2.4993 1.0773 0.6422 0.8399 0.9859 1.5917 1.1677 0.898 1.6145 1.0929 isobutyrylcarnitine (C4) 1.4337 0.9255 1.242 1.0558 0.6653 0.72 1.0028 1.4737 1.8482 1.3495 1.7364 1.5702 1.9182 2.1006 2.019 isoleucine 1.0819 1.3849 1.5256 0.6229 0.7387 0.7198 0.7083 0.9887 1.027 1.3503 1.6862 1.5968 0.73 1.1824 1.1022 isovalerylcarnitine (C5) 1.737 0.8712 1.3169 1.0041 0.5614 0.6466 1.0467 1.5634 1.4881 2.2252 2.006 1.9054 1.3298 1.5252 1.6702 leucine 1.2817 1.3951 1.5014 0.5327 0.7455 0.7798 0.8718 1.1609 1.1452 1.6839 1.9871 1.9862 0.7404 1.4551 1.3894 tiglylcarnitine (C5:1-DC) 1.2504 0.9698 1.0632 0.3773 0.7606 1.3649 0.5929 1.0715 1.0323 1.5967 1.4344 1.3093 0.3937 1.6032 1.2885 valine 1.3463 1.5334 1.4243 0.5278 0.7564 0.773 0.8419 1.1125 1.2026 1.6972 2.2555 2.2307 0.788 1.3882 1.3468 5-aminovalerate 0.3338 0.7068 2.0185 0.339 0.4936 0.9456 1.128 0.3338 1.1798 0.8162 1.0569 0.3338 0.4345 1.8275 0.5324 5-hydroxylysine 0.4241 0.7612 2.546 2.04 0.7973 0.8977 1.047 1.3468 1.3804 1.8295 0.9153 1.2162 1.4708 0.8497 1.7794 glutarylcarnitine (C5-DC) 2.4024 0.4496 0.8606 2.8656 1.44 0.961 0.4496 0.4496 0.7122 0.4496 0.9872 0.6993 1 0.7882 0.7903 lysine 0.7983 0.8653 1.4946 0.7103 0.9078 1.0193 0.9807 1.4707 1.4993 1.2017 0.7154 1.0608 1.1028 0.9451 1.0698 N-trimethyl 5-aminovalerate 1.3299 0.4741 1.5629 0.8551 0.6101 0.9849 0.6585 0.973 0.9255 0.605 0.8355 1.1745 0.6523 0.5364 0.5084 N6,N6,N6-trimethyllysine 1.6812 0.7174 1.1806 0.8509 1.4428 1.9459 3.0725 0.8997 1.1175 1.0754 0.9933 1.0067 0.8199 0.9261 0.8945 N6-carboxyethyllysine 0.9242 2.3449 0.0667 2.4696 0.0667 0.0667 0.0667 3.7113 3.7072 0.7304 0.3692 0.9202 1 0.3931 0.4744 pipecolate 0.9748 1.6525 1.3297 2.2641 0.6295 2.1652 0.8817 0.4967 0.9945 2.052 1.0041 1.0896 1.0981 0.7451 0.8023 5-methylthioribose 0.5556 0.9034 0.6408 1.4096 3.0744 3.1305 1.4731 1.3816 1.4269 0.8896 0.7117 0.7449 2.5961 1.7799 1.7023 cystathionine 1.1456 0.652 0.6171 0.5324 1.5297 2.9764 1.1201 1.0962 0.9991 1.048 0.3768 0.8597 2.1669 2.4624 1.9905 cysteine 2.0213 0.9324 1.6129 0.7973 4.0147 4.8944 4.3072 1.1169 1.0581 0.4481 0.5288 0.3189 0.7416 0.9583 1.0417 cysteine sulfinic acid 0.3496 0.854 0.3681 0.3496 0.5839 0.4218 0.3496 1.4084 1.5154 1.4824 0.3784 0.3496 0.8431 1 1.2669 methionine 0.9993 0.8228 2.0856 0.4336 0.9211 1.0532 0.9966 2.1969 1.7465 1.4351 0.8682 1.2517 1.6669 2.244 2.2908 methionine sulfone 0.9802 1.585 2.9198 1.3229 0.4561 0.6855 0.7328 1.0404 0.6048 2.8427 1.712 2.6417 0.4575 0.7751 1.0024 methionine sulfoxide 1.7997 1.2168 2.7677 0.7073 0.498 0.636 0.9204 3.0351 2.3349 1.5475 0.9931 1.5415 1.2242 2.4668 2.868 S-methylcysteine sulfoxide 0.6612 2.2107 2.1862 0.9362 0.1638 0.1482 0.1073 0.2212 0.3031 1.2706 0.5927 1.9185 0.2983 0.1073 0.1073 S-methylmethionine 0.379 0.3407 1.2559 0.5231 0.5075 0.849 0.6824 1.4215 1.1467 6.639 0.5464 6.1976 1.8842 1.8535 1.8648 taurine 1.2839 0.535 1.0508 1.0079 0.8599 0.9383 0.9921 0.9021 1.0864 0.7604 0.7718 0.7719 0.9595 1.0393 1.0138 phenylalanine 0.9839 1.0066 1.2105 0.5939 0.8393 0.8582 1.02 1.0976 1.0993 1.2211 0.905 0.9934 0.8845 1.0688 1.1988 (N(1) + N(8))-acetylspermidine 0.9669 1.4506 4.8128 1.0049 0.9284 1.3902 0.8205 0.7403 0.6412 3.1406 1.3842 1.411 0.5652 0.7993 0.7654 4-acetamidobutanoate 1.0035 1.2202 1.1508 0.6085 0.8631 0.7453 0.3898 0.8577 0.7131 1.1551 0.8681 1.4332 0.9965 1.2598 0.9714 5-methylthioadenosine (MTA) 1.1072 0.6161 1.4625 0.6695 0.5433 0.6704 0.8839 1.2871 1.1649 1.7883 1.5178 1.1186 1.6652 1.8543 1.8923 N-acetylputrescine 0.8837 0.5789 2.8203 1.1696 0.7526 1.1449 0.7633 0.4511 0.5411 1.6804 0.9354 0.893 1.2967 1.259 1.3929 putrescine 0.4043 1.2497 6.9685 1.8432 0.7381 0.7584 0.908 1.2076 1.8666 1.7655 1.2989 1.1886 1.2043 0.813 0.9776 spermidine 0.8289 1.0642 3.1372 2.5529 0.3004 0.6309 1.0467 0.5593 1.6529 2.09 3.2102 1.7574 0.5322 0.2705 0.6201 anthranilate 0.9991 0.9738 1.4729 0.5012 0.6111 1 0.6835 0.8979 0.9575 1.1486 0.9349 1.0835 1.0069 1.0173 1.4391 indolelactate 1.5256 1.3964 1.0708 0.5275 0.4346 0.5083 0.6345 0.781 0.8392 1.897 1.1046 0.9884 0.4643 0.956 0.7073 indolepropionate 1.2539 1.3049 1.2623 0.3805 0.5485 0.5256 0.605 0.798 0.6259 1.0824 1.6266 1.2663 0.7078 1.339 1.1355 kynurenine 0.7274 0.5418 0.7455 0.7632 0.6313 0.7363 0.7981 0.4911 0.8294 1.3027 1.1356 0.9009 0.7182 0.8798 1.0885 picolinate 1.0502 0.9549 1.8105 0.2278 0.7143 1.1543 1.088 0.5639 0.8427 1.6799 1.9455 1.6315 0.3004 1.4679 1.3816 serotonin 2.9012 0.5103 0.3237 0.1306 1.039 1.2796 1.3108 0.1222 3.4301 9.1561 10.4129 6.8296 9.8499 10.3536 11.741 tryptophan 0.7634 1.1506 1.1717 0.6597 0.6162 0.663 0.684 1.2199 1.1758 1.2111 1.2796 1.2115 1.1215 1.1674 1.3156 3-methoxytyrosine 0.2618 0.758 1.193 0.2618 0.5937 1.014 0.4551 1.594 0.9836 0.2618 0.4577 0.7452 1.1016 0.9145 1.0684 tyrosine 0.8563 0.8847 1.7882 0.2929 0.7717 1.177 0.9257 1.8158 1.8211 1.2094 0.7977 1.059 1.0942 1.4787 1.5933 2-oxoarginine 0.7566 0.6093 0.8903 0.9455 1.2639 1.2963 1.4443 1.5411 1.568 1.112 0.8611 1.297 1.122 1.729 1.543 argininate 1.792 1.1374 0.2046 0.2984 0.7244 0.4567 0.9669 0.7485 0.805 2.2457 1.3202 1.1742 1.36 1.8824 1.9447 arginine 0.2065 0.2836 2.3228 0.7444 1.5046 1.7397 2.06 1.6946 1.7408 0.6274 0.7187 0.967 1.1925 1.4134 1.4407 argininosuccinate 0.3463 0.1236 5.1596 0.9533 1.1855 1.2574 1.6337 1.6006 1.8592 0.1811 0.6848 0.4941 0.6642 1 1.1373 citrulline 1.2322 1.1881 1.1279 1.01 0.7826 0.7693 0.8318 1.0043 1.1126 1.1573 1.0999 1.0983 0.8423 1.0042 1.1079 dimethylarginine (SDMA + ADMA) 0.8966 1.0436 4.1325 1.1933 0.8613 1.1031 1.0286 1.434 1.4442 1.067 0.7775 0.8379 0.9061 0.8052 0.8952 homoarginine 0.2549 0.2773 1.1481 0.4999 1.0368 1.5298 1.1018 1.4546 2.248 0.3662 0.426 0.6199 1.1084 1.0804 1.1776 homocitrulline 1.6461 2.0745 2.4142 3.5002 0.7243 0.8794 0.6955 1.3561 1.3605 1.6081 0.8803 1.6298 0.5904 1.8291 1.8172 N-acetylarginine 0.9682 0.5611 1.8898 0.5566 1.11 1.5982 1.629 1.99 2.0046 1.5269 0.8947 1.2351 1.2654 2.5485 2.5207 N-alpha-acetylornithine 2.3143 2.6509 0.4221 0.7679 0.6512 1 0.4994 6.1337 4.905 0.5554 0.409 0.7345 0.6962 2.0616 1.3054 N-methylproline 1.1921 1.0395 1.1184 0.9717 0.8401 0.9434 1.0252 1.4467 2.0065 1.3626 0.7153 1.2459 1.1522 1.4064 1.2881 N-monomethylarginine 0.9861 0.8099 3.3394 0.9556 0.8612 1.0139 1.2536 1.8814 1.2105 1.3704 0.9754 1.2488 1.1472 1.149 1.4421 ornithine 1.9062 1.9202 1.2865 1.044 0.6668 0.8437 0.6648 0.9558 1.2249 1.6496 1.2623 1.2134 0.7493 0.9665 1.0604 pro-hydroxy-pro 0.9923 0.5853 0.4271 1.0119 1.4422 1.4481 1.1466 1.2938 0.9669 0.8427 0.5419 0.4651 1.2702 0.9889 1.2396 proline 1.022 0.8607 2.0219 0.69 0.8663 1.0004 1.028 1.5622 1.3848 1.169 0.8751 1.0215 0.9996 1.6566 1.623 trans-4-hydroxyproline 0.6399 0.6461 1.0037 1.1257 1.4779 1.2516 1.3 1.2639 1.2358 1.3544 0.6411 0.9424 1.4667 1.435 1.2851 urea 0.8714 0.739 0.9657 0.8447 0.8593 1.0877 1.1196 1.2473 1.2288 2.0169 0.9895 1.2348 1.1056 1.5351 1.4355 N-acetylglucosamine/N-acetylgalactosamine 1.312 0.9755 1.6821 1.2422 0.9125 1.2265 1.001 0.6763 0.9124 0.9555 0.6297 0.8746 1.0084 1.0008 0.9779 N-acetylglucosaminylasparagine 1.5314 0.3078 0.3091 1.2645 1.3148 1.5768 2.5228 0.6342 1.0477 0.9992 0.7842 0.8512 0.3078 0.3078 0.3078 biotin 0.8282 0.9527 1.1382 0.4015 1.1542 0.4015 0.4015 0.4015 0.4015 0.8814 1.2466 1.0076 0.9818 1.5755 1.1521 1-methylnicotinamide 1.9772 1.1745 0.4759 0.6316 0.7141 0.8753 0.8098 0.0576 0.0407 1.5696 2.3461 0.8632 0.3731 0.6584 0.7234 N1-Methyl-4-pyridone-3-carboxamide 4.0396 2.5558 0.5831 1.6656 0.6706 0.8924 1.0371 0.5268 0.6467 2.7146 1.1649 0.5848 0.6081 0.4119 0.5772 nicotinamide 1.7098 0.725 0.5344 0.838 1.377 1.4449 1.7109 0.4209 0.5851 0.822 0.9423 1.1481 0.8845 1.0911 1.0577 nicotinamide N-oxide 0.9278 1.0023 0.1394 0.4036 1.3062 1.7634 0.9319 1.3732 1.2544 0.8207 0.7515 0.5091 2.5328 1.2997 2.3218 nicotinate ribonucleoside 4.9706 2.9909 2.0414 2.7555 0.2856 0.2785 0.1732 9.9199 7.3399 1.0788 0.7651 1.2041 1.085 0.9852 1.1697 trigonelline (N'-methylnicotinate) 1.218 0.8406 1.9533 0.6812 0.8082 0.8872 1.0631 1.8333 1.384 1.6353 0.8846 1.3141 1.5086 1.7647 1.8757 hydroxymethylpyrimidine 3.1021 1.4503 1.0333 1.2542 0.6139 0.5764 0.8706 1.4893 0.9667 1.8703 1.1106 1.5351 1.8055 2.3452 3.2543 pyridoxal 0.9319 0.5431 0.9108 0.4741 1.2113 1.1923 0.8116 0.3597 0.4467 2.1113 2.4258 1.2874 1.0681 1.5945 2.3737 phosphate 2.5748 0.3625 3.5809 0.5668 4.3971 3.8515 4.8901 0.7908 0.8388 0.6965 1.2066 0.8659 0.8838 1.1162 0.7743 succinylcarnitine (C4-DC) 3.1579 0.4547 0.2546 1.287 1.2789 1.7074 2.7152 0.6149 0.6184 0.5498 1.0027 0.632 0.5004 0.5946 0.5229 carnitine 0.9001 0.8873 0.5537 1.1257 0.8222 0.8953 0.9008 1.0645 1.039 1.4946 1.1768 1.0769 1.5173 1.3226 1.4533 deoxycarnitine 1.1642 0.5196 1.3341 0.8201 1.0721 1.2139 1.3909 1.1641 1.3804 0.8418 1.0358 1.2612 1.2108 1.1768 0.9694 butyrylcarnitine (C4) 1.6941 1.2236 1.8767 4.6902 0.4742 0.4744 0.7187 1.1078 0.913 4.3238 2.0411 3.0254 1.3052 0.7495 0.8094 propionylcarnitine (C3) 0.8424 0.8393 1.6233 1.0049 0.8509 0.7224 1.1012 1.6704 1.5498 1.3214 1.1846 1.5301 2.0891 2.4286 2.2689 3-hydroxybutyrylcarnitine (1) 1.6106 1.0052 0.6493 0.4821 0.963 0.6806 0.4143 0.3376 0.3578 0.6832 1.6061 1.0557 0.662 0.7678 0.5154 3-hydroxybutyrylcarnitine (2) 2.3831 0.6608 0.9061 0.6865 0.982 0.9375 0.8773 0.3782 0.4431 0.9808 1.1321 1.4354 0.9819 1.0589 0.6604 acetylcarnitine (C2) 1.2057 0.9443 1.0621 0.8715 0.8975 0.8697 0.9632 0.9671 0.9917 0.9954 1.0094 1.0712 1.1728 1.1808 1.1466 adipoylcarnitine (C6-DC) 1.0172 0.4156 0.5539 1.6215 2.1049 1.3353 1.1479 0.6832 0.7987 1.3786 0.6178 0.8118 0.8802 0.6749 0.6784 hexanoylcarnitine (C6) 1.0794 1.0935 0.9388 1.7088 0.8757 0.7327 1.0464 0.9491 1.0852 0.8491 0.9947 0.7526 2.6272 0.5911 0.5366 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 1.6947 0.8684 0.9666 1.4842 1.1922 1.0522 1.1645 1.1281 0.8756 0.9607 0.8761 0.6199 1.0561 1.1071 1.1623 suberoylcarnitine (C8-DC) 1.4065 0.9259 0.3058 0.7041 1.1032 1.0774 0.877 0.3058 0.3058 1.2373 0.5718 1.0233 1.015 0.4447 0.4951 2-butenoylglycine 0.5275 0.7453 0.987 0.4147 1.5446 1.4318 1.2033 0.7831 0.8567 0.8014 1.013 0.5318 0.9615 1.1194 1.0407 malonylcarnitine 2.8491 0.882 0.3241 1.4093 1.3227 1.2308 1.255 0.4202 0.5578 0.5939 0.8311 0.8289 1.0056 0.9944 0.7289 2-aminoheptanoate 0.5031 1.907 3.0589 2.4349 0.6819 0.6275 0.7811 0.837 0.7568 1.2083 2.0817 1.189 0.82 0.5939 1.1158 2-hydroxyglutarate 1.1071 0.8402 0.9792 1.5711 0.8174 0.7962 0.8208 1.0279 1.2616 0.9674 0.9044 0.7922 0.9439 0.9673 1.0528 4-hydroxybutyrate (GHB) 1.6669 0.9287 4.2999 0.682 1.0316 1 0.8947 0.671 1.3513 0.8406 0.9321 1.5053 0.4628 0.6387 0.4628 glycerol 3-phosphate 2.2728 0.902 2.3302 1.8641 0.9845 0.8367 1.0956 1.7801 1.5364 0.7572 0.7942 0.6334 0.6847 0.3772 0.4359 choline 1.5921 1.2299 1.7201 1.2636 1.0003 1.0542 1.1445 1.3145 1.4527 0.7713 0.7623 0.8792 0.7117 0.6105 0.601 choline phosphate 3.9378 0.1756 1.1819 1.1122 1.1466 0.9152 1.0511 0.6085 0.7164 0.6053 1.0812 0.7178 1.1034 1.4471 1.0931 glycerophosphoethanolamine 1.4315 0.9269 1.1089 1.5682 1.0154 1.0935 1.3196 1.2451 1.3517 0.8399 0.8819 1.0695 0.6441 0.5899 0.6987 glycerophosphorylcholine (GPC) 1.4551 1.2838 0.8772 1.1014 0.9696 0.9938 1.1303 1.3484 1.4903 1.0062 0.891 1.302 0.7307 0.5114 0.6441 glycerophosphoserine 3.0328 1.3466 0.6743 1.2152 0.7742 0.8949 1.4439 1.0654 2.0424 0.6411 0.8114 0.6514 0.4979 0.5617 0.6274 phosphoethanolamine 1.381 0.0693 0.7955 0.6167 1.2824 1.4078 1.7623 0.8566 1.4191 0.5589 0.9069 0.7859 1.1581 1.1162 0.9784 trimethylamine N-oxide 2.504 1.2686 1.9073 6.9438 0.9395 0.954 0.6888 0.0903 0.086 9.5756 5.9301 2.4305 0.6276 0.5401 1.3039 methylphosphate 2.0539 0.6448 0.5103 0.5781 1.6097 2.0317 3.1054 0.5397 0.4695 1.5356 1.2371 1.5535 0.7738 0.9217 1.0287 inosine 5'-monophosphate (IMP) 0.5001 0.5001 0.5001 0.5001 0.5001 0.5001 1 0.5001 0.5001 0.5001 0.5001 0.5001 0.5001 1.2591 0.5001 N1-methylinosine 1.3301 1.8363 3.574 2.2803 0.8909 1.013 0.8054 0.9931 1.0069 0.9582 0.6361 0.706 0.796 0.4776 0.4564 adenine 0.62 0.9783 0.8793 0.9748 0.8146 0.2724 0.4631 1.0287 0.7967 2.5695 1.811 1.4476 1.5705 1.6034 1.7199 adenosine 5'-monophosphate (AMP) 0.3978 1.498 0.9935 2.2224 0.4979 0.4811 4.644 1.0139 1.5197 1.556 0.9857 1.1748 1.0065 7.4069 1.5113 N1-methyladenosine 1.1189 1.1669 6.4722 1.544 0.9016 1.1224 0.9279 1.4121 1.4682 1.1331 0.6881 0.7818 1.1203 0.8638 0.7841 7-methylguanine 0.7907 0.7237 4.0976 1.1506 1.1549 1.1704 0.8834 1.2331 1.0016 1.2667 0.5128 0.6414 1.1702 0.9186 1.2121 guanosine 0.1892 0.1892 0.7867 0.1892 0.1892 0.1892 0.1892 4.8066 5.5688 0.1892 0.2543 1 52.4778 93.6608 68.8178 guanosine 5'- monophosphate (5'-GMP) 0.0368 0.0368 0.0368 0.0368 0.0368 0.0368 2.7527 0.0368 0.0368 0.0368 0.0368 0.0368 0.152 2.3487 1 N2,N2-dimethylguanosine 0.5499 1.3691 11.1367 2.4189 1.1691 1.0253 1.0075 1.7059 2.1303 0.482 0.4395 0.4571 1.1067 0.6884 0.5684 2'-deoxycytidine 0.6824 0.8306 0.0936 0.8142 1.666 1.4943 1.6705 1.2785 1.261 1.2189 0.6499 0.6633 1.7678 1.3902 1.4406 2'-O-methylcytidine 0.6901 0.9856 8.6389 1.7816 1.0277 0.7701 0.9753 1.8301 2.1904 0.2967 0.556 1.1569 1.0412 1.1405 0.8142 3-methylcytidine 0.677 2.537 0.4516 3.0727 0.4516 0.4516 0.9447 1.9605 1.5714 1.3308 0.6144 0.4516 1.64 1.0519 1.5985 5-methyl-2'-deoxycytidine 1.081 1.2626 0.2752 1.1296 1.2176 1.4167 1.1211 1.5542 1.2301 1.5308 0.6053 0.9635 1.2423 0.8903 1.1415 5-methylcytidine 0.5867 1.0892 0.1274 0.8545 1.2656 1.284 1.0133 1.2831 1.5157 0.5552 0.5009 0.4917 1.5839 0.8561 0.7046 cytidine 0.8182 0.9573 0.4341 0.4966 1.0427 0.9007 0.8049 0.9334 1.2065 0.7243 0.612 1.0541 1.3011 0.6205 0.6752 cytidine 5'-monophosphate (5'-CMP) 0.9916 0.1732 0.5646 0.3331 1.51 1.6526 2.165 0.4304 1.3793 0.3848 1.0286 1.2723 1.8459 2.5613 2.0936 cytosine 0.5733 0.7389 3.6375 0.3065 0.6824 0.6305 0.9013 0.9418 0.7234 0.6824 0.3744 0.4807 0.3525 1.0582 1.1696 N4-acetylcytidine 1.9483 1.743 6.8237 1.9503 1.4298 1.1558 0.8895 0.7184 0.9603 1.1327 0.8456 0.8608 0.6871 0.5097 0.4899 3-ureidopropionate 1.0923 0.9391 1.3317 2.8504 1.1508 1.2336 0.9691 0.6683 0.9356 1.9174 0.6088 1.2541 0.8973 1.7922 1.4063 beta-alanine 0.8497 0.8802 1.3048 0.8195 1.0512 1.1144 0.8314 1.4338 1.7021 0.4206 0.5259 0.7182 1.4559 1.4366 1.012 uracil 0.9627 0.9544 10.7708 2.0884 0.8244 0.6951 0.7367 1.0859 1.7285 0.9416 1.2043 1.5364 0.9747 0.7725 0.8211 uridine 5'-monophosphate (UMP) 0.3767 0.3767 0.3767 0.3767 0.3767 0.3767 1 0.3767 0.3767 0.3767 0.3767 0.3767 0.3767 1.394 0.3767 phenylacetylglycine 1.7278 1.0451 0.5548 0.8161 0.6879 1.5608 0.8619 0.5948 0.6056 0.7401 0.7431 0.9549 0.5316 0.5258 0.8412 prolylglycine 0.2199 0.2199 1.6649 0.3902 0.2199 0.2199 0.2199 1.7764 4.7145 2.3893 1.4528 2.3965 1.4654 1.8117 1.9816 gamma-glutamyl-alpha-lysine 1.06 0.8062 1.1488 1.052 0.9019 1.0767 1.0886 2.5855 2.5924 1.5228 0.4573 0.7359 1.6921 1.2531 1.87 gamma-glutamyl-epsilon-lysine 0.9272 0.662 0.4211 1.0485 1.8701 4.5591 2.8288 3.3535 3.52 0.1505 0.3944 0.3452 3.8623 2.7878 2.8081 gamma-glutamylcitrulline 0.0262 2.6667 1.0392 1.415 0.7258 0.5349 0.4827 1.799 1.2806 2.4788 0.9213 1.7157 1.368 0.8876 1.2242 gamma-glutamylglutamate 2.2657 0.9353 1.0273 3.1845 1.0161 0.9913 1.2721 1.8138 2.2216 0.991 0.8329 0.9737 1.6455 0.9286 0.9553 gamma-glutamylglutamine 0.0682 1.5811 0.785 1.7547 0.9409 0.7106 0.6934 1.5662 1.1142 1.6487 0.7566 1.3676 1.4851 0.9745 1.2001 gamma-glutamylglycine 1.267 0.9769 1.0254 1.0851 0.9258 1.0115 0.9844 1.9991 2.2285 0.8397 0.7354 0.6672 1.4885 1.2738 1.7711 gamma-glutamylhistidine 1.3263 1.3577 0.7077 1.3093 0.9125 0.9332 1.0064 1.5288 1.1191 1.5778 0.8055 1.624 1.963 1.7155 2.3193 gamma-glutamylisoleucine 1.3722 1.3723 0.9506 0.6945 0.8158 1.0739 0.8647 1.1776 1.3442 1.4051 1.3626 1.2125 0.9951 1.6903 1.5653 gamma-glutamylleucine 2.1363 1.9056 1.4185 1.0571 0.6148 0.6853 0.849 1.8026 1.6424 2.2246 1.998 2.7915 1.0656 1.7474 2.0076 gamma-glutamylmethionine 0.103 1.7082 1.7106 0.311 0.6677 0.554 0.3483 4.7793 1.732 2.2912 0.5921 1.5463 3.0076 2.6496 3.7323 gamma-glutamylphenylalanine 1.446 1.386 1.5537 1.0256 0.59 0.6858 0.852 1.7841 1.5609 2.0377 0.9923 1.5602 1.2596 1.3089 1.8038 gamma-glutamyltryptophan 1.6853 1.4647 1.1526 2.4488 0.7177 0.7053 0.9118 1.3063 1.2501 1.7773 0.9215 1.6513 1.2546 0.9783 1.267 gamma-glutamyltyrosine 1.6136 1.0581 1.421 0.6234 0.5825 1.0055 0.8378 2.3069 2.3054 1.8548 0.6634 0.9398 1.5523 1.7275 2.1525 gamma-glutamylvaline 1.4435 1.0105 0.7853 0.9727 0.7556 1.0851 0.9895 1.4401 1.7802 1.3207 1.2119 1.2457 1.2563 1.5187 1.5835 dimethyl sulfone 0.9908 2.2027 1.3161 1.3983 0.5465 0.541 0.6502 0.6514 0.9551 1.0603 1.9158 1.4924 1.3648 0.5426 0.7608 thioproline 1.3261 0.4492 0.782 0.4522 1.8876 2.2735 3.5424 0.7268 1.0243 0.1378 1.1675 0.199 0.5956 0.8062 1.5621 ergothioneine 2.1208 0.619 0.4683 0.9028 1.895 2.1888 3.2717 0.632 0.7657 0.6327 1.631 1.2674 0.9238 0.7986 0.8601 histidine betaine (hercynine) 1.8452 2.7105 0.1585 4.5139 0.6128 0.8606 1.8896 7.4076 8.5761 0.5698 0.9859 1.6827 0.8485 0.8363 0.7487 homostachydrine 1.0154 0.8524 0.9846 0.2027 0.9058 1.1702 0.8868 2.0768 1.2105 1.4427 0.2696 0.4815 1.7179 1.6017 2.1004 indolin-2-one 0.6781 1.5393 1.6498 0.5163 0.7389 1.2122 0.599 0.4715 0.3704 0.989 1.0153 0.6985 0.8528 1.5785 1.9923 methyl indole-3-acetate 0.3008 2.0914 0.1371 0.8241 0.0418 0.0418 0.0418 1.0606 1.0023 6.0795 1.8887 4.1283 1.1758 1.6 1.1487 stachydrine 1.1079 1.0261 1.3834 0.3475 0.7164 0.7261 0.8182 1.6694 1.519 1.5763 0.5576 0.9252 1.4918 1.7495 2.1568 metabolite_name PLATFORM Retention index MASS PUBCHEM ID CHEMSPIDER KEGG ID HMDB ID asparagine LC/MS Pos Early 1225 133.06077 6267 6031 C00152 HMDB00168 aspartate LC/MS Pos Early 1165 134.04479 5960 5745 C00049 HMDB00191 hydroxyasparagine LC/MS Pos Early 1149 149.05568 97663 88149 C03124 HMDB32332 N-acetylasparagine LC/MS Pos Early 785 175.07134 99715 90090 HMDB06028 creatine LC/MS Pos Early 1947 132.07676 586 566 C00300 HMDB00064 creatinine LC/MS Pos Early 2055 114.06619 588 568 C00791 HMDB00562 carboxyethyl-GABA LC/MS Pos Early 2085 176.09174 2572 2474 HMDB02201 glutamate LC/MS Pos Early 1500 148.06044 611 591 C00025 HMDB00148 glutamine LC/MS Pos Early 1291 147.07642 5961 5746 C00064 HMDB00641 N-acetyl-aspartyl-glutamate (NAAG) LC/MS Pos Early 1035 305.09795 5255 5065 C12270 HMDB01067 N-methyl-GABA LC/MS Pos Early 2109 118.08626 70703 63869 C15987 pyroglutamine LC/MS Pos Early 1900 129.06586 134508 118562 S-1-pyrroline-5-carboxylate LC/MS Pos Early 1528 114.05496 1196 10140206 C04322 HMDB01301 2-aminobutyrate LC/MS Pos Early 2059 104.07061 439691 388757 C02261 HMDB00650 cysteine-glutathione disulfide LC/MS Pos Early 2465 427.09519 4247235 3455404 HMDB00656 cysteinylglycine disulfide LC/MS Pos Early 2547 298.05259 17215992 HMDB00709 glutathione, oxidized (GSSG) LC/MS Pos Early 2667 613.15925 65359 58835 C00127 HMDB03337 betaine LC/MS Pos Early 1064 118.08626 247 24,219,951,173 C00719 HMDB00043 dimethylglycine LC/MS Pos Early 1104 104.07061 673 653 C01026 HMDB00092 glycine LC/MS Pos Early 1375 76.03931 750 730 C00037 HMDB00123 sarcosine LC/MS Pos Early 1280 90.05496 1088 1057 C00213 HMDB00271 serine LC/MS Pos Early 1239 106.04987 5951 5736 C00065 HMDB00187 threonine LC/MS Pos Early 1514 120.06552 6288 6051 C00188 HMDB00167 4-guanidinobutanoate LC/MS Pos Early 2320 146.09241 500 486 C01035 HMDB03464 guanidinosuccinate LC/MS Pos Early 1892 176.06659 97856 88329 C03139 HMDB03157 1-methyl-4-imidazoleacetate LC/MS Pos Early 2064 141.06586 75810 68319 C05828 HMDB02820 1-methylhistamine LC/MS Pos Early 3040 126.10258 3614 3488 C05127 HMDB00898 1-ribosyl-imidazoleacetate LC/MS Pos Early 2006 259.09247 5117448 4292299 C05131 HMDB02331 4-imidazoleacetate LC/MS Pos Early 2055 127.05021 96215 86856 C02835 HMDB02024 anserine LC/MS Pos Early 2924 241.12952 112072 100482 C01262 HMDB00194 carnosine LC/MS Pos Early 2942 227.11387 439224 388363 C00386 HMDB00033 formiminoglutamate LC/MS Pos Early 1880 175.07134 439233 388370 C00439 HMDB00854 histamine LC/MS Pos Early 3035 112.08693 774 753 C00388 HMDB00870 imidazole propionate LC/MS Pos Early 2263 141.06586 70630 63798 HMDB02271 N-acetyl-1-methylhistidine LC/MS Pos Early 2100 212.1028 193270 N-acetyl-3-methylhistidine LC/MS Pos Early 2056 212.10297 193270 19993498 trans-urocanate LC/MS Pos Early 2285 139.05021 736715 643824 C00785 HMDB00301 2-methylbutyrylcarnitine (C5) LC/MS Pos Early 3050 246.16999 6426901 4932320 HMDB00378 3-methylcrotonylglycine LC/MS Pos Early 1980 158.08117 169485 148224 HMDB00459 isobutyrylcarnitine (C4) LC/MS Pos Early 2810 232.15434 168379 HMDB00736 isoleucine LC/MS Pos Early 2800 132.10191 6306 769 C00407 HMDB00172 isovalerylcarnitine (C5) LC/MS Pos Early 3085 246.16999 6426851 4932271 HMDB00688 leucine LC/MS Pos Early 2864 132.10191 5246661 4414789 tiglylcarnitine (C5:1-DC) LC/MS Pos Early 2962 244.15434 22833596 17216200 HMDB02366 valine LC/MS Pos Early 2479 118.08626 6287 6050 C00183 HMDB00883 5-aminovalerate LC/MS Pos Early 2220 118.08626 138 135 C00431 HMDB03355 5-hydroxylysine LC/MS Pos Early 2790 163.10772 1029 1002 C16741 HMDB00450 glutarylcarnitine (C5-DC) LC/MS Pos Early 2393 276.14417 71464488 21403175 HMDB13130 lysine LC/MS Pos Early 2850 147.11281 5962 5747 C00047 HMDB00182 N-trimethyl 5-aminovalerate LC/MS Pos Early 2186 160.13321 34236878 N6,N6,N6-trimethyllysine LC/MS Pos Early 2825 189.15976 440120 140379 C03793 HMDB01325 N6-carboxyethyllysine LC/MS Pos Early 2695 219.13394 11312319 pipecolate LC/MS Pos Early 2200 130.08626 849 826 C00408 HMDB00070 5-methylthioribose LC/MS Pos Early 790 181.05291 494 480 HMDB01087 cystathionine LC/MS Pos Early 2270 223.07471 439258 811 C02291 HMDB00099 cysteine LC/MS Pos Early 1488 122.02703 5862 5653 C00097 HMDB00574 cysteine sulfinic acid LC/MS Pos Early 597 154.01686 109 107 C00606 HMDB00996 methionine LC/MS Pos Early 2526 150.05833 6137 5907 C00073 HMDB00696 methionine sulfone LC/MS Pos Early 1250 182.04816 69961 63154 methionine sulfoxide LC/MS Pos Early 1272 166.05325 158980 139840 C02989 HMDB02005 S-methylcysteine sulfoxide LC/MS Pos Early 900 152.03759 82142 74136 HMDB29432 S-methylmethionine LC/MS Pos Early 2555 164.07398 458 8351775 C05319 HMDB38670 taurine LC/MS Pos Early 660 126.02195 1123 1091 C00245 HMDB00251 phenylalanine LC/MS Pos Early 2878 166.08626 6140 5910 C00079 HMDB00159 (N(1) + N(8))-acetylspermidine LC/MS Pos Early 3080 188.17574 4-acetamidobutanoate LC/MS Pos Early 1350 146.08117 18189 17180 C02946 HMDB03681 5-methylthioadenosine (MTA) LC/MS Pos Early 2752 298.09684 439176 388321 C00170 HMDB01173 N-acetylputrescine LC/MS Pos Early 2230 131.11789 122356 109095 C02714 HMDB02064 putrescine LC/MS Pos Early 3027 89.10733 1045 13837702 C00134 HMDB01414 spermidine LC/MS Pos Early 3355 146.16518 1102 1071 C00315 HMDB01257 anthranilate LC/MS Pos Early 2606 138.05496 227 222 C00108 HMDB01123 indolelactate LC/MS Pos Early 2600 206.08117 92904 83867 C02043 HMDB00671 indolepropionate LC/MS Pos Early 3205 190.08626 3744 3613 HMDB02302 kynurenine LC/MS Pos Early 2739 209.09207 161166 141580 C00328 HMDB00684 picolinate LC/MS Pos Early 910 124.03931 1018 993 C10164 HMDB02243 serotonin LC/MS Pos Early 2550 177.10224 5202 5013 C00780 HMDB00259 tryptophan LC/MS Pos Early 2986 205.09716 6305 6066 C00078 HMDB00929 3-methoxytyrosine LC/MS Pos Early 2555 212.09174 1670 8948 HMDB01434 tyrosine LC/MS Pos Early 2430 182.08117 6057 5833 C00082 HMDB00158 2-oxoarginine LC/MS Pos Early 1760 174.08732 558 542 C03771 HMDB04225 argininate LC/MS Pos Early 2150 176.10297 160437 140984 HMDB03148 arginine LC/MS Pos Early 2825 175.11896 232 227 C00062 HMDB00517 argininosuccinate LC/MS Pos Early 2745 291.12992 828 805 C03406 HMDB00052 citrulline LC/MS Pos Early 1520 176.10297 9750 810 C00327 HMDB00904 dimethylarginine (SDMA + ADMA) LC/MS Pos Early 2850 203.15026 123831 110375 C03626 HMDB01539 homoarginine LC/MS Pos Early 2882 189.13461 9085 8732 C01924 HMDB00670 homocitrulline LC/MS Pos Early 1908 190.11862 65072 58582 C02427 HMDB00679 N-acetylarginine LC/MS Pos Early 2245 217.12952 67427 60752 C02562 HMDB04620 N-alpha-acetylornithine LC/MS Pos Early 2000 175.10772 439232 388369 C00437 HMDB03357 N-methylproline LC/MS Pos Early 1335 130.08626 557 541 N-monomethylarginine LC/MS Pos Early 2845 189.13461 132862 117259 C03884 HMDB29416 ornithine LC/MS Pos Early 2800 133.09716 6262 6026 C00077 HMDB03374 pro-hydroxy-pro LC/MS Pos Early 2128 229.11829 11673055 9847785 HMDB06695 proline LC/MS Pos Early 1603 116.07061 145742 128566 C00148 HMDB00162 trans-4-hydroxyproline LC/MS Pos Early 1064 132.06552 5810 5605 C01157 HMDB00725 urea LC/MS Pos Early 700 121.07201 1176 1143 C00086 HMDB00294 N-acetylglucosamine/N-acetylgalactosamine LC/MS Pos Early 715 222.0972 24139 HMDB00215 N-acetylglucosaminylasparagine LC/MS Pos Early 1212 336.14015 123826 21403014 C04540 HMDB00489 biotin LC/MS Pos Early 2253 245.09545 171548 149962 C00120 HMDB00030 1-methylnicotinamide LC/MS Pos Early 1940 137.07094 10129985 8305504 C02918 HMDB00699 N1-Methyl-4-pyridone-3-carboxamide LC/MS Pos Early 1260 153.06586 440810 389671 C05843 HMDB04194 nicotinamide LC/MS Pos Early 1942 123.05529 936 911 C00153 HMDB01406 nicotinamide N-oxide LC/MS Pos Early 877 139.05021 72661 65522 HMDB02730 nicotinate ribonucleoside LC/MS Pos Early 1536 256.08157 161234 141635 C05841 HMDB06809 trigonelline (N'-methylnicotinate) LC/MS Pos Early 1388 138.05496 5570 5369 C01004 HMDB00875 hydroxymethylpyrimidine LC/MS Pos Early 2207 140.08184 777 756 C01279 pyridoxal LC/MS Pos Early 2343 168.06552 1050 1021 C00250 HMDB01545 phosphate LC/MS Pos Early 576 98.98418 1061 1032 C00009 HMDB01429 succinylcarnitine (C4-DC) LC/MS Pos Early 2291 262.12852 71464481 28639166 HMDB61717 carnitine LC/MS Pos Early 1978 162.11247 10917 10455 C00318 HMDB00062 deoxycarnitine LC/MS Pos Early 2052 146.11756 134 705 C01181 HMDB01161 butyrylcarnitine (C4) LC/MS Pos Early 2860 232.15434 439829 184820 C02862 HMDB02013 propionylcarnitine (C3) LC/MS Pos Early 2590 218.13869 107738 96904 C03017 HMDB00824 3-hydroxybutyrylcarnitine (1) LC/MS Pos Early 2400 248.14925 53481617 HMDB13127 3-hydroxybutyrylcarnitine (2) LC/MS Pos Early 2340 248.14925 HMDB13127 acetylcarnitine (C2) LC/MS Pos Early 2282 204.12304 1 5406074 C02571 HMDB00201 adipoylcarnitine (C6-DC) LC/MS Pos Early 2570 290.15982 71296139 28540385 HMDB61677 hexanoylcarnitine (C6) LC/MS Pos Early 3308 260.18564 6426853 4932273 HMDB00705 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) LC/MS Pos Early 2773 304.17547 suberoylcarnitine (C8-DC) LC/MS Pos Early 2964 318.19112 2-butenoylglycine LC/MS Pos Early 1526 144.06552 6303498 4877902 malonylcarnitine LC/MS Pos Early 2086 248.11287 22833583 21403153 HMDB02095 2-aminoheptanoate LC/MS Pos Early 3160 146.11756 227939 198338 2-hydroxyglutarate LC/MS Pos Early 958 131.03389 43 42 C02630 HMDB00606 4-hydroxybutyrate (GHB) LC/MS Pos Early 1148 87.04406 10413 9984 C00989 HMDB00710 glycerol 3-phosphate LC/MS Pos Early 580 173.02095 754 734 C00093 HMDB00126 choline LC/MS Pos Early 1961 104.10699 305 149278 C00114 HMDB00097 choline phosphate LC/MS Pos Early 700 184.07332 1014 119298 C00588 HMDB01565 glycerophosphoethanolamine LC/MS Pos Early 659 216.06315 123874 110410 C01233 HMDB00114 glycerophosphorylcholine (GPC) LC/MS Pos Early 672 258.1101 71920 571409 C00670 HMDB00086 glycerophosphoserine LC/MS Pos Early 577 260.05298 3081457 2339060 phosphoethanolamine LC/MS Pos Early 700 142.02638 1015 990 C00346 HMDB00224 trimethylamine N-oxide LC/MS Pos Early 2100 76.07569 1145 1113 C01104 HMDB00925 methylphosphate LC/MS Pos Early 544 112.99983 13130 12578 HMDB61711 inosine 5'-monophosphate (IMP) LC/MS Pos Early 650 349.05438 8582 5482599 C00130 HMDB00175 N1-methylinosine LC/MS Pos Early 1430 283.1037 65095 513976 HMDB02721 adenine LC/MS Pos Early 2221 136.06178 190 185 C00147 HMDB00034 adenosine 5'-monophosphate (AMP) LC/MS Pos Early 1013 348.07037 6083 10239183 C00020 HMDB00045 N1-methyladenosine LC/MS Pos Early 2120 282.11969 27476 4573813 C02494 HMDB03331 7-methylguanine LC/MS Pos Early 2175 166.07234 11361 10883 C02242 HMDB00897 guanosine LC/MS Pos Early 1728 284.09895 6802 6544 C00387 HMDB00133 guanosine 5'- monophosphate (5'-GMP) LC/MS Pos Early 800 364.06528 6804 741 C00144 HMDB01397 N2,N2-dimethylguanosine LC/MS Pos Early 2210 312.13025 92919 83878 HMDB04824 2'-deoxycytidine LC/MS Pos Early 2193 228.09789 13711 13117 C00881 HMDB00014 2'-O-methylcytidine LC/MS Pos Early 2411 258.10845 150971 133067 3-methylcytidine LC/MS Pos Early 2176 258.10845 159649 9164190 5-methyl-2'-deoxycytidine LC/MS Pos Early 2303 242.11354 440055 389065 C03592 HMDB02224 5-methylcytidine LC/MS Pos Early 2227 258.10845 92918 83877 HMDB00982 cytidine LC/MS Pos Early 2124 244.0928 6175 5940 C00475 HMDB00089 cytidine 5'-monophosphate (5'-CMP) LC/MS Pos Early 835 324.05914 6131 5414497 C00055 HMDB00095 cytosine LC/MS Pos Early 2060 112.05054 597 577 C00380 HMDB00630 N4-acetylcytidine LC/MS Pos Early 1580 286.10337 107461 96702 HMDB05923 3-ureidopropionate LC/MS Pos Early 875 133.06077 111 109 C02642 HMDB00026 beta-alanine LC/MS Pos Early 1905 90.05496 239 234 C00099 HMDB00056 uracil LC/MS Pos Early 827 113.03456 1174 1141 C00106 HMDB00300 uridine 5'-monophosphate (UMP) LC/MS Pos Early 590 325.04315 6030 1399139 C00105 HMDB00288 phenylacetylglycine LC/MS Pos Early 2317 194.08117 68144 61452 C05598 HMDB00821 prolylglycine LC/MS Pos Early 2136 173.09207 6426709 4932143 HMDB11178 gamma-glutamyl-alpha-lysine LC/MS Pos Early 2784 276.1554 65254 58747 gamma-glutamyl-epsilon-lysine LC/MS Pos Early 2717 276.1554 7015685 5378717 HMDB03869 gamma-glutamylcitrulline LC/MS Pos Early 1644 305.14556 gamma-glutamylglutamate LC/MS Pos Early 1775 277.10303 92865 83831 C05282 HMDB11737 gamma-glutamylglutamine LC/MS Pos Early 1430 276.11902 150914 133013 C05283 HMDB11738 gamma-glutamylglycine LC/MS Pos Early 1535 205.0819 165527 145071 HMDB11667 gamma-glutamylhistidine LC/MS Pos Early 2740 285.11935 7017195 5380197 gamma-glutamylisoleucine LC/MS Pos Early 2940 261.1445 14253342 21403145 HMDB11170 gamma-glutamylleucine LC/MS Pos Early 2991 261.1445 151023 133115 HMDB11171 gamma-glutamylmethionine LC/MS Pos Early 2640 279.10092 7009567 5373147 HMDB29155 gamma-glutamylphenylalanine LC/MS Pos Early 2992 295.12885 111299 99868 HMDB00594 gamma-glutamyltryptophan LC/MS Pos Early 2975 334.13975 3989307 2302065 HMDB29160 gamma-glutamyltyrosine LC/MS Pos Early 2518 311.12377 94340 85142 HMDB11741 gamma-glutamylvaline LC/MS Pos Early 2700 247.12885 7015683 HMDB11172 dimethyl sulfone LC/MS Pos Early 832 95.01613 6213 5978 C11142 HMDB04983 thioproline LC/MS Pos Early 1250 134.02703 93176 84120 ergothioneine LC/MS Pos Early 850 230.09578 3032311 2297320 C05570 HMDB03045 histidine betaine (hercynine) LC/MS Pos Early 2094 198.12371 3083620 2340795 homostachydrine LC/MS Pos Early 1750 158.11756 441447 390180 C08283 HMDB33433 indolin-2-one LC/MS Pos Early 2575 134.06004 321710 284794 C12312 methyl indole-3-acetate LC/MS Pos Early 3380 190.08626 74706 67279 HMDB29738 stachydrine LC/MS Pos Early 1440 144.10191 115244 103115 C10172 HMDB04827