Selected Cell
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behenoyl sphingomyelin (d18:1/22:0)* | Lipid | Sphingomyelins | 48492 | LC/MS Pos Late | 100006294 | 3083 | 787.66876 | 24846873 | HMDB12103 | 0.6438 | 0.5277 | 1.1268 | 3.765 | 0.8579 | 2.5863 | 1.0976 | 0.8379 | 0.6878 | 1.3166 | 1.2816 | 1.1956 | 1.6659 | 0.8286 | 0.4045 | 0.9512 | 0.9346 | 1.4309 | 1.9553 | 2.3785 | 1.3177 | 7.8863 | 1.1614 | 0.6699 | 0.9617 | 1.2107 | 1.2735 | 0.5321 | 0.8395 | 0.9195 | 0.7382 | 0.7791 | 0.947 | 1.107 | 0.9295 | 1.0383 | |||
beta-alanine | Nucleotide | Pyrimidine Metabolism, Uracil containing | 55 | LC/MS Pos Early | 244 | 1905 | 90.05496 | 56-41-7;107-95-9 | 239 | 234 | C00099 | HMDB00056 | 0.8038 | 0.7917 | 1.068 | 0.916 | 0.6467 | 0.6721 | 0.939 | 0.9197 | 1.225 | 1.3942 | 0.7589 | 0.7289 | 1.5911 | 1.3612 | 0.8488 | 0.8348 | 1.3833 | 1.0685 | 0.5171 | 0.8425 | 0.9011 | 0.579 | 0.9865 | 1.132 | 1.1936 | 1.0603 | 1.0258 | 1.0575 | 1.0565 | 1.0135 | 1.0295 | 1.0519 | 1.2201 | 0.7332 | 1.141 | 0.9271 |
beta-citrylglutamate | Amino Acid | Glutamate Metabolism | 54923 | LC/MS Neg | 100003271 | 530 | 320.06232 | 73590-26-8 | 72715786 | 19992713 | C20775 | 1.1456 | 1.1816 | 1.6726 | 1.6108 | 0.4763 | 2.6499 | 0.7902 | 2.3465 | 0.5986 | 0.3958 | 1.5071 | 1.0035 | 1.0574 | 0.6042 | 0.3605 | 0.6831 | 1.6976 | 0.911 | 0.9679 | 0.6465 | 0.9939 | 1.1559 | 0.9924 | 0.9965 | 1.0623 | 0.8399 | 2.241 | 1.0679 | 0.6681 | 1.0439 | 1.1214 | 1.0522 | 1.3042 | 0.6901 | 0.9827 | 0.9122 | |
beta-hydroxyisovalerate | Amino Acid | Leucine, Isoleucine and Valine Metabolism | 12129 | LC/MS Polar | 1442 | 1149.8 | 117.05572 | 625-08-1 | 69362 | 62571 | HMDB00754 | 1.5472 | 0.8949 | 2.3872 | 1.0587 | 1.046 | 0.8528 | 0.987 | 0.877 | 1.9365 | 1.0561 | 0.864 | 0.7992 | 1.013 | 0.7702 | 0.586 | 0.5932 | 0.7388 | 1.2111 | 0.8885 | 1.1885 | 1.5142 | 0.8685 | 1.2924 | 0.7458 | 0.6818 | 1.1676 | 1.7489 | 1.3536 | 0.7807 | 0.5103 | 1.1797 | 0.9787 | 1.3257 | 1.34 | 1.7262 | 0.7713 | |
betaine | Amino Acid | Glycine, Serine and Threonine Metabolism | 3141 | LC/MS Pos Early | 799 | 1064 | 118.08626 | 107-43-7 | 247 | 2.4219951173E10 | C00719 | HMDB00043 | 0.5815 | 0.6767 | 1.7013 | 1.0556 | 0.4842 | 1.0084 | 0.748 | 0.9127 | 1.0053 | 0.9809 | 0.6842 | 1.0786 | 1.3075 | 1.1918 | 0.651 | 0.7851 | 1.8744 | 0.9947 | 0.4929 | 0.7803 | 1.5114 | 0.4908 | 0.8945 | 1.2439 | 1.1826 | 1.1998 | 1.1387 | 0.9645 | 1.9532 | 1.2063 | 0.9453 | 1.0606 | 1.7749 | 0.8263 | 1.2414 | 0.9272 |
betaine aldehyde | Amino Acid | Glycine, Serine and Threonine Metabolism | 15499 | LC/MS Pos Early | 1219 | 1915 | 120.10191 | 7758-31-8 | 249 | 244 | C00576 | HMDB01252 | 3.839 | 0.7303 | 1.4027 | 0.4225 | 1.3983 | 0.8026 | 2.4213 | 0.6902 | 1.2973 | 1.0482 | 0.9833 | 0.9247 | 0.6426 | 1.1965 | 0.4225 | 1.3199 | 0.7262 | 0.7231 | 1.2618 | 0.6155 | 0.8892 | 1.0133 | 0.9425 | 1.0116 | 1.3112 | 1.5069 | 0.6989 | 0.4225 | 1.0751 | 1.0202 | 0.5805 | 0.7186 | 0.8595 | 1.0397 | 1.0524 | 0.9884 |
betonicine | Xenobiotics | Food Component/Plant | 38100 | LC/MS Pos Early | 100002153 | 1012 | 160.09682 | 515-25-3 | 164642 | 144333 | C08269 | HMDB29412 | 0.8558 | 0.9082 | 1.0799 | 1.2403 | 0.7783 | 0.7936 | 0.5918 | 0.8019 | 0.5173 | 0.7877 | 1.0893 | 0.7672 | 0.6794 | 1.0535 | 1.039 | 1.2474 | 0.9674 | 1.0073 | 1.0837 | 0.9878 | 0.7823 | 0.7586 | 1.4137 | 1.2586 | 1.5137 | 0.8234 | 0.6624 | 0.9927 | 1.1671 | 1.0095 | 1.2197 | 0.9202 | 1.7204 | 1.4166 | 1.5613 | 1.107 |
biopterin | Cofactors and Vitamins | Tetrahydrobiopterin Metabolism | 12358 | LC/MS Neg | 1548 | 1398 | 236.07891 | 22150-76-1 | 445040 | 392795 | C06313 | HMDB00468 | 0.9203 | 1.081 | 0.8989 | 0.8479 | 1.0401 | 0.9796 | 1.0919 | 0.7298 | 0.8836 | 1.1304 | 1.0604 | 0.9581 | 1.0178 | 0.909 | 0.6505 | 1.025 | 0.7214 | 0.8045 | 0.8752 | 0.9287 | 1.1357 | 0.6449 | 0.8463 | 1.184 | 1.1987 | 1.1294 | 1.0807 | 0.9733 | 0.9839 | 1.0161 | 1.1277 | 0.5994 | 1.0195 | 1.1845 | 1.1221 | 1.0486 |
butyrylcarnitine (C4) | Lipid | Fatty Acid Metabolism (also BCAA Metabolism) | 32412 | LC/MS Pos Early | 100001054 | 2860 | 232.15434 | 25576-40-3 | 439829 | 184820 | C02862 | HMDB02013 | 0.4406 | 0.4406 | 2.9243 | 2.2021 | 0.9102 | 1.6579 | 0.8664 | 1.473 | 0.7987 | 1.2727 | 0.564 | 0.4809 | 0.4914 | 2.4285 | 0.4406 | 0.4406 | 2.124 | 3.8625 | 0.8172 | 0.4406 | 0.8822 | 0.4406 | 1.1627 | 0.4406 | 1.3234 | 0.7545 | 2.2724 | 1.7919 | 0.7872 | 0.4406 | 1 | 2.5648 | 0.6914 | 0.4406 | 0.7268 | 0.4406 |
cadaverine | Amino Acid | Lysine Metabolism | 15308 | LC/MS Pos Early | 100000110 | 3036 | 103.12298 | 462-94-2;1476-39-7 | 273 | 13866593 | C01672 | HMDB02322 | 0.6191 | 1.3659 | 0.8372 | 1.1009 | 0.4428 | 1.1793 | 0.1507 | 0.6086 | 0.768 | 0.5354 | 1.1156 | 0.8929 | 0.7607 | 0.8631 | 1.7286 | 0.7476 | 1.4519 | 0.5143 | 0.1507 | 1 | 1.5593 | 1.3168 | 0.6991 | 1.1275 | 1.6792 | 1.1542 | 1.5551 | 0.4242 | 0.9417 | 1.6007 | 0.9748 | 1.2001 | 1.2431 | 1.197 | 1.5852 | 0.9612 |
caproate (6:0) | Lipid | Medium Chain Fatty Acid | 32489 | LC/MS Neg | 926 | 2713.7 | 115.07645 | 142-62-1 | 8892 | 8552 | C01585 | HMDB00535 | 1.1744 | 0.8481 | 0.8745 | 1.0144 | 0.7792 | 0.9986 | 1.421 | 0.8645 | 1.1603 | 1.3498 | 1.0071 | 0.9477 | 1.1633 | 1.0217 | 1.1998 | 1.0014 | 1.0719 | 0.9705 | 0.9317 | 0.9806 | 0.9023 | 0.9077 | 0.9966 | 1.2352 | 1.7267 | 1.3561 | 0.7839 | 1.1655 | 0.8313 | 0.6562 | 0.9147 | 1.1378 | 0.9688 | 0.9852 | 1.5283 | 1.0609 |
carboxyethyl-GABA | Amino Acid | Glutamate Metabolism | 40007 | LC/MS Pos Early | 100003260 | 2085 | 176.09174 | 4386-03-02T0:0:0+0000 | 2572 | 2474 | HMDB02201 | 0.5427 | 0.8362 | 0.6862 | 1.3134 | 1.2594 | 1.0602 | 0.9408 | 0.956 | 0.4962 | 1.0821 | 0.8898 | 0.806 | 0.9232 | 0.7878 | 1.0683 | 0.8529 | 1.1161 | 1.122 | 0.8461 | 1.272 | 0.9295 | 0.9866 | 1.4188 | 1.0886 | 1.0134 | 1.0566 | 0.8753 | 0.7949 | 0.9397 | 1.1605 | 1.1699 | 0.8741 | 1.5383 | 1.1115 | 1.1422 | 1.059 | |
carnitine | Lipid | Carnitine Metabolism | 15500 | LC/MS Pos Early | 100000007 | 1978 | 162.11247 | 461-05-2 | 10917 | 10455 | C00318 | HMDB00062 | 0.859 | 0.5865 | 1.3291 | 1.2199 | 1.3669 | 0.7201 | 1.1657 | 1.4503 | 1.1733 | 1.4635 | 0.7888 | 0.6711 | 1.0675 | 1.0003 | 1.2289 | 1.2308 | 1.535 | 1.5558 | 0.6792 | 1.1204 | 0.65 | 0.3586 | 0.9997 | 0.6562 | 1.0086 | 1.1844 | 0.9984 | 0.9187 | 0.7157 | 0.7084 | 1.5366 | 1.1608 | 0.8249 | 0.6019 | 0.5879 | 0.4982 |
ceramide (d16:1/24:1, d18:1/22:1)* | Lipid | Ceramides | 57437 | LC/MS Pos Late | 100015727 | 3850 | 620.59763 | 1.3996 | 0.7843 | 1.6177 | 0.8956 | 1.3178 | 0.8606 | 1.5413 | 0.7464 | 1.4404 | 1.2969 | 0.8707 | 0.8158 | 1.286 | 1.1978 | 0.9128 | 0.9988 | 1.1503 | 0.9756 | 0.6552 | 0.5566 | 1.0976 | 1.0012 | 0.7887 | 0.6684 | 1.1199 | 1.5816 | 1.8368 | 1.1117 | 0.95 | 0.7453 | 0.9097 | 1.2771 | 0.9862 | 1.4893 | 1.6627 | 0.8216 | |||||
ceramide (d18:2/24:1, d18:1/24:2)* | Lipid | Ceramides | 57443 | LC/MS Pos Late | 100015744 | 3858 | 646.6133 | 1.3052 | 0.8833 | 1.2475 | 0.8243 | 1.2565 | 0.8112 | 1.3766 | 0.6525 | 1.2795 | 1.077 | 0.9608 | 0.8182 | 1.0448 | 1.0484 | 0.9574 | 0.9461 | 0.9951 | 0.9246 | 0.7401 | 0.6512 | 1.0291 | 1.3085 | 0.8843 | 0.6828 | 0.9206 | 1.4632 | 1.4796 | 1.0621 | 1.0627 | 0.8397 | 1.0049 | 1.1421 | 0.899 | 1.5646 | 2.0004 | 0.846 | |||||
cerotoylcarnitine (C26)* | Lipid | Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) | 57516 | LC/MS Pos Late | 100015835 | 1649 | 540.49864 | 35015992 | HMDB06347 | 0.5587 | 0.4996 | 0.956 | 1.0163 | 1.1596 | 0.8055 | 1.514 | 0.4996 | 0.6959 | 2.0849 | 0.4996 | 1 | 1.8172 | 0.4996 | 0.7972 | 1.0354 | 0.4996 | 0.4996 | 0.8759 | 0.4996 | 0.8859 | 0.4996 | 0.4996 | 0.4996 | 1.4713 | 1.0786 | 1.1152 | 0.4996 | 0.4996 | 0.4996 | 0.4996 | 1.0696 | 0.4996 | 0.93 | 0.4996 | 0.7849 | |||
chiro-inositol | Lipid | Inositol Metabolism | 37112 | LC/MS Polar | 100001859 | 3191.2 | 225.06159 | 643-12-9 | 10254647 | C19891 | HMDB34220 | 0.4849 | 0.4849 | 1.0495 | 0.4849 | 0.4849 | 1.0907 | 0.4849 | 0.4849 | 0.4849 | 0.4849 | 0.4849 | 0.9399 | 0.4849 | 1 | 0.5735 | 0.9462 | 0.68 | 1.4081 | 1.204 | 0.6414 | 1.1421 | 1.053 | 0.7147 | 0.4849 | 0.6992 | 0.4849 | 1.0624 | 0.4849 | 0.6924 | 0.5743 | 1.0664 | 0.4849 | 0.4849 | 1.2635 | 1.2844 | 0.4849 | |
cholate | Lipid | Primary Bile Acid Metabolism | 22842 | LC/MS Neg | 136 | 5165 | 407.28029 | 81-25-4 | 221493 | C00695 | HMDB00619 | 0.7077 | 0.4488 | 0.4488 | 0.4488 | 0.4488 | 1.3948 | 0.4488 | 5.4387 | 1.1613 | 0.7942 | 0.4488 | 0.4488 | 1.4115 | 0.6295 | 1.3415 | 0.4488 | 0.4488 | 2.8274 | 0.8821 | 0.4488 | 0.4488 | 0.4488 | 0.4488 | 0.7181 | 1.0229 | 1.1665 | 0.4488 | 0.4488 | 0.4488 | 0.4488 | 0.4488 | 0.4488 | 0.4488 | 0.4488 | 0.9771 | 0.7069 | |
cholesterol | Lipid | Sterol | 63 | LC/MS Pos Late | 266 | 2707 | 369.35159 | 57-88-5 | 11025495 | 4937803 | C00187 | HMDB00067 | 0.9061 | 0.8961 | 1.0554 | 0.9788 | 1.4642 | 1.1381 | 1.3181 | 1.103 | 1.0635 | 1.2854 | 1.071 | 1.0236 | 0.938 | 1.1611 | 0.9587 | 0.9974 | 0.8933 | 1.1719 | 0.904 | 0.9275 | 0.8553 | 0.9052 | 0.8447 | 0.8143 | 1.0339 | 1.0026 | 0.8868 | 0.7617 | 0.8333 | 0.8284 | 1.0038 | 1.0719 | 1.1732 | 1.16 | 1.0949 | 0.903 |
choline | Lipid | Phospholipid Metabolism | 15506 | LC/MS Pos Early | 1256 | 1961 | 104.10699 | 67-48-1 | 305 | 149278 | C00114 | HMDB00097 | 1.3411 | 1.084 | 1.3233 | 1.1822 | 1.1699 | 1.0603 | 1.2771 | 1.0902 | 1.0243 | 1.1253 | 1.2104 | 0.9875 | 1.2388 | 1.2334 | 1.0125 | 0.9608 | 0.9547 | 0.9597 | 0.7824 | 0.8627 | 0.9173 | 0.9592 | 0.8127 | 0.792 | 1.0303 | 0.9715 | 1.0636 | 0.8807 | 0.9509 | 0.9664 | 0.978 | 0.9847 | 0.9704 | 1.0651 | 1.0891 | 0.8685 |
choline phosphate | Lipid | Phospholipid Metabolism | 34396 | LC/MS Pos Early | 267 | 700 | 184.07332 | 72556-74-2 | 1014 | 119298 | C00588 | HMDB01565 | 0.6211 | 1.2464 | 0.986 | 1.0009 | 0.4498 | 1.4101 | 0.3208 | 0.6115 | 0.6712 | 0.4506 | 1.0357 | 0.9991 | 0.4072 | 0.5258 | 0.5649 | 0.7394 | 0.4832 | 0.6331 | 1.0616 | 0.9083 | 1.1229 | 1.2356 | 1.129 | 1.7357 | 0.7821 | 1.184 | 1.5842 | 0.4303 | 1.0697 | 2.168 | 1.0035 | 0.5501 | 1.5984 | 1.4285 | 1.3628 | 1.226 |
citrate | Energy | TCA Cycle | 1564 | LC/MS Neg | 1124 | 582 | 191.01973 | 77-92-9 | 311 | 305 | C00158 | HMDB00094 | 0.2665 | 1.2221 | 1.0009 | 1.2281 | 0.7906 | 1.0746 | 0.7679 | 1.0134 | 0.4926 | 0.9952 | 0.9187 | 0.9086 | 0.8198 | 0.7706 | 0.7791 | 0.8108 | 0.9825 | 1.1471 | 1.0112 | 1.3383 | 0.9961 | 1.1282 | 1.1201 | 1.0523 | 0.9579 | 0.9991 | 1.1543 | 1.0513 | 1.1367 | 1.2046 | 1.0057 | 0.7929 | 1.0347 | 0.9172 | 0.9381 | 1.0526 |
citrulline | Amino Acid | Urea cycle; Arginine and Proline Metabolism | 2132 | LC/MS Pos Early | 391 | 1520 | 176.10297 | 372-75-8 | 9750 | 810 | C00327 | HMDB00904 | 0.5102 | 0.387 | 1.4836 | 1.314 | 0.4274 | 0.4011 | 0.5997 | 0.5052 | 0.7577 | 1.1564 | 1.0764 | 0.5488 | 0.7462 | 1.1804 | 1.0178 | 1.1575 | 1.4147 | 0.5411 | 1.5057 | 1.0972 | 1.0594 | 0.4429 | 1.4122 | 1.3853 | 1.285 | 1.0751 | 0.7869 | 0.9822 | 1.2533 | 0.4527 | 0.3785 | 0.5958 | 1.5181 | 2.0936 | 0.57 | 0.7259 |
creatine | Amino Acid | Creatine Metabolism | 27718 | LC/MS Pos Early | 1221 | 1947 | 132.07676 | 57-00-1 | 586 | 566 | C00300 | HMDB00064 | 0.5144 | 1.1073 | 0.9089 | 0.642 | 0.9629 | 1.0374 | 0.6288 | 1.1653 | 0.613 | 0.941 | 0.897 | 0.9109 | 0.7942 | 0.7682 | 0.9773 | 0.6964 | 1.0023 | 1.5389 | 0.8127 | 1.0884 | 1.105 | 1.1094 | 1.0992 | 1.0958 | 1.2159 | 0.9542 | 1.5025 | 0.9977 | 0.9927 | 1.3219 | 0.8601 | 1.2263 | 1.5174 | 1.1628 | 1.0749 | 1.0724 |
creatinine | Amino Acid | Creatine Metabolism | 513 | LC/MS Pos Early | 275 | 2055 | 114.06619 | 60-27-5 | 588 | 568 | C00791 | HMDB00562 | 0.4537 | 0.9957 | 0.7016 | 0.6527 | 1.2609 | 0.8919 | 0.4222 | 0.9043 | 0.5083 | 0.7803 | 1.1498 | 0.6332 | 0.4909 | 0.597 | 1.0043 | 0.7163 | 0.7623 | 1.2895 | 1.55 | 0.8886 | 0.8285 | 1.2011 | 1.6564 | 1.0905 | 1.6156 | 1.3835 | 1.4222 | 0.8978 | 0.7817 | 1.675 | 1.0883 | 1.3225 | 1.4842 | 1.5359 | 1.7244 | 1.4762 |
cystathionine | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 15705 | LC/MS Pos Early | 310 | 2270 | 223.07471 | 535-34-2 | 439258 | 811 | C02291 | HMDB00099 | 0.6918 | 2.3503 | 1.0412 | 2.4068 | 4.5137 | 1.687 | 0.6645 | 0.7023 | 0.6209 | 1.2745 | 6.6195 | 3.8253 | 0.6099 | 0.5181 | 0.5046 | 0.4737 | 0.2777 | 0.5865 | 0.819 | 0.7576 | 0.9588 | 3.4404 | 0.6428 | 2.7663 | 1.2409 | 1.1724 | 1.7767 | 0.3342 | 0.9541 | 1.259 | 0.901 | 0.5576 | 1.0903 | 4.5774 | 3.5842 | 3.783 |
cysteine | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 1868 | LC/MS Pos Early | 800 | 1475 | 122.02703 | 52-90-4;56-89-3 | 5862 | 5653 | C00097 | HMDB00574 | 0.477 | 0.965 | 0.9933 | 1.3349 | 1.1624 | 1.0067 | 3.3027 | 1.1019 | 0.8131 | 3.1334 | 1.9109 | 0.9527 | 1.63 | 0.8407 | 1.0457 | 1.0381 | 0.963 | 1.477 | 0.2093 | 0.917 | 2.2677 | 0.4614 | 0.6246 | 1.2687 | 4.52 | 2.6727 | 0.9783 | 1.0901 | 0.8904 | 1.0273 | 0.7605 | 0.7354 | 0.8947 | 0.9554 | 1.4747 | 0.868 |
cysteine s-sulfate | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 22176 | LC/MS Polar | 100000808 | 2273 | 199.96928 | 1637-71-4 | 115015 | 102939 | C05824 | HMDB00731 | 0.4153 | 0.5957 | 0.5397 | 0.4512 | 0.4826 | 0.4153 | 2.1708 | 0.5145 | 1.611 | 0.9806 | 0.4153 | 0.4153 | 0.4153 | 0.9389 | 1.7803 | 1.2547 | 0.4153 | 1.5704 | 0.4153 | 0.644 | 0.6101 | 0.4153 | 0.4153 | 1.2824 | 2.8466 | 2.131 | 0.4153 | 0.5577 | 1.8432 | 1 | 0.4153 | 0.4153 | 0.4153 | 0.4153 | 3.2428 | 2.5585 |
cysteine sulfinic acid | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 37443 | LC/MS Pos Early | 100002113 | 597 | 154.01686 | 207121-48-0 | 109 | 107 | C00606 | HMDB00996 | 0.6504 | 0.7946 | 0.7458 | 1.1016 | 1.0626 | 1.5178 | 1.9944 | 0.4909 | 0.8102 | 1.1651 | 2.5193 | 1.4668 | 1.1612 | 0.8489 | 1.0691 | 0.8047 | 0.4577 | 0.8194 | 0.3046 | 0.614 | 0.7381 | 0.9541 | 0.6166 | 1.2135 | 1.3901 | 1.6038 | 1.2362 | 0.5569 | 1.1097 | 1.0459 | 0.6508 | 0.817 | 0.8245 | 3.3958 | 5.3636 | 2.4388 |
cysteine-glutathione disulfide | Amino Acid | Glutathione Metabolism | 35159 | LC/MS Pos Early | 100001437 | 2465 | 427.09519 | 13081-14-6 | 4247235 | 3455404 | HMDB00656 | 0.6186 | 1.0309 | 0.8945 | 1.0019 | 1.0786 | 0.6874 | 1.0093 | 0.7859 | 0.9981 | 1.0227 | 0.9673 | 0.4526 | 0.7044 | 0.8792 | 1.1266 | 1.1531 | 0.836 | 1.2364 | 0.3059 | 0.7653 | 1.1237 | 0.5728 | 0.7867 | 1.1206 | 1.3928 | 1.6119 | 1.336 | 0.7732 | 1.2116 | 1.1703 | 0.8565 | 1.1188 | 0.801 | 0.471 | 1.1609 | 1.2095 | |
cystine | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 56 | LC/MS Neg | 279 | 665 | 239.01657 | 56-89-3 | 67678 | 575 | C00491 | HMDB00192 | 0.266 | 1.976 | 1.0006 | 0.9217 | 1 | 0.4049 | 1.8341 | 0.5562 | 1.5485 | 1.114 | 0.7262 | 0.2834 | 0.4883 | 0.8925 | 2.0248 | 1.2376 | 0.5071 | 1.8923 | 0.1066 | 0.7674 | 1.2548 | 0.1066 | 0.2691 | 1.859 | 4.0305 | 4.4812 | 1.4727 | 0.7061 | 2.6238 | 0.6099 | 0.4383 | 0.8499 | 0.1066 | 0.1066 | 1.419 | 2.9124 |
cytidine | Nucleotide | Pyrimidine Metabolism, Cytidine containing | 514 | LC/MS Pos Early | 827 | 2124 | 244.0928 | 65-46-3 | 6175 | 5940 | C00475 | HMDB00089 | 0.3749 | 0.7737 | 0.9306 | 0.879 | 0.7699 | 1.0086 | 1.0107 | 1.3723 | 0.6163 | 0.9674 | 0.5229 | 0.6686 | 2.0789 | 1.6249 | 0.9692 | 0.4937 | 0.6245 | 1.5908 | 1.029 | 1.113 | 1.0455 | 0.3865 | 3.4263 | 0.9914 | 2.0192 | 1.6046 | 0.9495 | 0.839 | 1.1974 | 1.392 | 0.9419 | 2.3698 | 2.1054 | 4.6855 | 1.7896 | 0.7696 |
cytidine 3'-monophosphate (3'-CMP) | Nucleotide | Pyrimidine Metabolism, Cytidine containing | 2959 | LC/MS Pos Early | 105 | 920 | 324.05914 | 84-52-6 | 66535 | 225079 | C05822 | 0.9807 | 0.8879 | 1.0588 | 1.035 | 1.2727 | 0.7817 | 1.5522 | 1.1754 | 1.3173 | 1.5057 | 0.9762 | 0.7953 | 1.3504 | 1.399 | 1.0118 | 0.8969 | 0.9882 | 1.1447 | 0.7271 | 0.6176 | 0.823 | 0.5195 | 0.874 | 0.9574 | 1.6635 | 1.297 | 0.822 | 0.8648 | 0.8826 | 0.693 | 1.13 | 2.2342 | 1.0162 | 3.663 | 1.3176 | 0.8685 | |
cytidine 5'-diphosphocholine | Lipid | Phospholipid Metabolism | 34418 | LC/MS Pos Early | 1220 | 725 | 489.11461 | 33818-15-4 | 13804 | 21531769 | C00307 | HMDB01413 | 0.3343 | 1.0325 | 1.7162 | 1.633 | 0.9675 | 0.691 | 0.6686 | 0.7864 | 0.9543 | 0.8208 | 1.6595 | 0.8645 | 1.5424 | 0.6695 | 2.0101 | 0.7641 | 1.2469 | 1.468 | 0.4804 | 0.9447 | 1.5503 | 1.1331 | 1.0354 | 1.55 | 0.6489 | 0.4997 | 0.8113 | 0.5756 | 1.1827 | 1.796 | 1.5639 | 0.2859 | 1.9436 | 0.5996 | 1.3679 | 1.3093 |
cytidine 5'-monophosphate (5'-CMP) | Nucleotide | Pyrimidine Metabolism, Cytidine containing | 2372 | LC/MS Pos Early | 282 | 835 | 324.05914 | 63-37-6 | 6131 | 5414497 | C00055 | HMDB00095 | 0.6142 | 0.6471 | 1.2941 | 1.0532 | 0.742 | 0.7934 | 1.0847 | 1.3069 | 0.7877 | 0.7219 | 0.9856 | 0.5378 | 1.2643 | 0.8415 | 1.0003 | 0.9997 | 1.4885 | 2.1061 | 1.1765 | 1.7565 | 1.7004 | 0.6141 | 1.8331 | 1.5239 | 0.7204 | 0.756 | 0.8518 | 1.1682 | 1.4864 | 1.1676 | 1.629 | 0.8548 | 2.4164 | 0.9077 | 0.6476 | 0.8049 |
cytidine 5'-monophospho-N-acetylneuraminic acid | Carbohydrate | Nucleotide Sugar | 36831 | LC/MS Polar | 1223 | 3900 | 613.13999 | 3063-71-6 | 448209 | C00128 | HMDB01176 | 0.3778 | 0.3778 | 0.8012 | 0.3778 | 0.3778 | 0.3778 | 0.3778 | 1.3913 | 0.3778 | 0.4327 | 0.3778 | 0.3778 | 1.0734 | 0.3778 | 0.3778 | 0.4766 | 0.8685 | 2.3672 | 0.5511 | 1.8189 | 2.6878 | 0.3778 | 2.1583 | 0.3778 | 0.3778 | 0.3778 | 0.3778 | 1.2539 | 1.6713 | 0.4127 | 0.9266 | 0.646 | 2.6385 | 0.3778 | 0.3778 | 0.3778 | |
cytidine diphosphate | Nucleotide | Pyrimidine Metabolism, Cytidine containing | 2841 | LC/MS Neg | 280 | 580 | 402.01091 | 34393-59-4 | 6132 | 5902 | C00112 | HMDB01546 | 1.5564 | 0.501 | 0.501 | 0.501 | 1.3569 | 0.501 | 1.5782 | 0.501 | 1.3514 | 0.6138 | 0.501 | 0.501 | 0.501 | 0.7055 | 0.501 | 0.8362 | 1 | 0.7413 | 0.6092 | 0.501 | 0.501 | 0.501 | 0.501 | 0.501 | 0.8398 | 2.1509 | 1.2946 | 0.501 | 0.501 | 0.501 | 0.501 | 1.4507 | 0.501 | 2.9068 | 0.8536 | 0.501 |
cytidine-5'-diphosphoethanolamine | Lipid | Phospholipid Metabolism | 34410 | LC/MS Polar | 100001407 | 4210 | 445.0531 | 72842-05-8 | 123727 | 287 | C00570 | HMDB01564 | 0.4525 | 0.7 | 0.4525 | 1.1801 | 0.4525 | 0.9675 | 0.4525 | 0.8305 | 0.4525 | 0.921 | 0.6218 | 0.6312 | 1.952 | 0.4525 | 0.9952 | 0.9761 | 0.8704 | 1.1258 | 0.5668 | 1.3219 | 2.3979 | 1.2328 | 1.8265 | 1.4435 | 0.4525 | 0.4525 | 0.4525 | 0.4525 | 0.8892 | 2.9486 | 1.2862 | 0.4525 | 1.6462 | 0.4525 | 1 | 1.5731 |
cytosine | Nucleotide | Pyrimidine Metabolism, Cytidine containing | 573 | LC/MS Pos Early | 881 | 2060 | 112.05054 | 71-30-7 | 597 | 577 | C00380 | HMDB00630 | 0.7033 | 0.9522 | 0.7619 | 0.945 | 1.3361 | 0.8333 | 0.9722 | 1.0466 | 0.844 | 0.9677 | 0.9932 | 0.5373 | 0.9631 | 0.9035 | 1.3674 | 1.249 | 0.944 | 0.9861 | 1.8577 | 0.7736 | 0.7596 | 0.7536 | 1.586 | 1.2941 | 1.0068 | 1.6706 | 1.3845 | 0.7821 | 1.0945 | 1.5311 | 1.3471 | 1.8244 | 1.7177 | 2.8429 | 1.4265 | 1.496 |
dehydroascorbate | Cofactors and Vitamins | Ascorbate and Aldarate Metabolism | 1659 | LC/MS Polar | 301 | 1130 | 173.00916 | 490-83-5 | 835 | 812 | C05422 | HMDB01264 | 0.4439 | 0.4439 | 0.4439 | 0.4439 | 0.4439 | 0.5576 | 0.4439 | 0.5187 | 0.4439 | 0.4439 | 0.926 | 0.4439 | 0.4439 | 0.4439 | 0.4439 | 0.4439 | 0.4444 | 1.4405 | 0.4439 | 0.7723 | 1.1269 | 0.6561 | 1.26 | 0.4439 | 0.4439 | 0.4439 | 1.4391 | 0.4439 | 0.4439 | 0.5214 | 0.4439 | 1.6407 | 1.4644 | 1.074 | 1.0878 | 0.4439 |
deoxycarnitine | Lipid | Carnitine Metabolism | 36747 | LC/MS Pos Early | 100001662 | 2052 | 146.11756 | 6249-56-5 | 134 | 705 | C01181 | HMDB01161 | 1.2706 | 1.2907 | 0.8908 | 0.7377 | 0.8351 | 1.2697 | 0.3057 | 1.0961 | 0.7564 | 0.65 | 0.936 | 0.8905 | 1.004 | 0.5532 | 0.9116 | 0.9813 | 0.8191 | 1.0445 | 0.6894 | 1.1812 | 1.2072 | 0.8996 | 1.0947 | 1.2941 | 0.996 | 1.0203 | 1.1057 | 1.0301 | 1.0054 | 1.5138 | 1.2205 | 0.9293 | 0.8962 | 1.2417 | 0.8718 | 1.0764 |
diaminopimelate | Xenobiotics | Food Component/Plant | 15130 | LC/MS Pos Early | 100000115 | 2569 | 191.10264 | 1476-39-7;2577-62-0 | 439283 | 1267353 | C00666 | HMDB01370 | 1.1594 | 0.999 | 1.0761 | 1.1254 | 0.743 | 0.8292 | 0.916 | 0.8244 | 0.9983 | 1.2179 | 2.0666 | 1.0248 | 1.74 | 0.8612 | 1.0285 | 1.1324 | 0.7797 | 1.0694 | 0.7458 | 0.9694 | 1.1563 | 0.5714 | 1.1337 | 0.9969 | 1.7413 | 1.1335 | 1.0238 | 0.8283 | 0.9002 | 0.7729 | 1.0274 | 0.8767 | 0.9625 | 1.0699 | 1.001 | 0.9568 |
dihomo-linoleate (20:2n6) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 17805 | LC/MS Neg | 1231 | 5730 | 307.26425 | 2091-39-6 | 6439848 | 4944228 | C16525 | HMDB05060 | 0.9383 | 0.7237 | 0.9296 | 0.8172 | 0.8196 | 1.1252 | 1.165 | 0.6916 | 0.8569 | 1.9651 | 1.1369 | 1.3374 | 2.3595 | 1.238 | 1.5032 | 0.7098 | 0.7844 | 1.8254 | 0.6357 | 0.5444 | 0.5414 | 0.4879 | 0.7354 | 1.8589 | 1.081 | 1.317 | 1.0232 | 1.2023 | 0.8708 | 0.4918 | 0.949 | 1.9308 | 1.0971 | 0.9768 | 1.4561 | 1.0871 |
dihomo-linolenate (20:3n3 or n6) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 35718 | LC/MS Neg | 100001739 | 5596 | 305.2486 | 17046-59-2 | 5280581 | 4471954 | C03242 | HMDB02925 | 0.8767 | 0.7266 | 0.8677 | 0.8745 | 0.7517 | 1.0746 | 1.1534 | 0.6801 | 0.8441 | 1.7697 | 1.2826 | 1.3158 | 2.1403 | 1.1906 | 1.4504 | 0.7457 | 0.7391 | 1.5118 | 0.5904 | 0.5576 | 0.6599 | 0.5192 | 0.6826 | 1.7008 | 1.2282 | 1.3072 | 1.0056 | 1.1762 | 0.8911 | 0.5394 | 0.9505 | 1.6988 | 0.9944 | 1.011 | 1.3877 | 1.0944 |
dihydrobiopterin | Cofactors and Vitamins | Tetrahydrobiopterin Metabolism | 35129 | LC/MS Pos Early | 100001506 | 1930 | 240.10912 | 6779-87-9 | 1879 | 1808 | C00268 | HMDB00038 | 0.422 | 1.1223 | 1.4222 | 1.3736 | 1.5934 | 0.7605 | 0.497 | 0.6874 | 1.0073 | 0.9701 | 1.8764 | 1.5492 | 0.6543 | 0.9148 | 0.422 | 0.9927 | 0.4805 | 0.422 | 0.422 | 0.9698 | 1.4327 | 0.6338 | 0.8215 | 1.064 | 1.2252 | 0.9823 | 1.1478 | 0.7502 | 1.7931 | 1.273 | 1.3355 | 0.422 | 1.0857 | 2.9418 | 0.954 | 0.5224 |
dihydroxyacetone phosphate (DHAP) | Carbohydrate | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | 15522 | LC/MS Pos Early | 309 | 539 | 171.00531 | 102783-56-2 | 668 | 3833110 | C00111 | HMDB01473 | 0.1623 | 0.4883 | 0.5152 | 1.039 | 0.6441 | 1.2648 | 4.5871 | 1.0241 | 0.352 | 2.9937 | 2.0487 | 1.1164 | 2.1576 | 0.7221 | 0.9759 | 0.8703 | 0.6652 | 1.1976 | 0.1623 | 0.5268 | 2.4204 | 0.1623 | 0.5833 | 1.3081 | 4.0181 | 1.9829 | 0.6865 | 1.0691 | 0.5498 | 0.9262 | 0.8059 | 1.259 | 0.9508 | 1.1768 | 1.1763 | 0.8764 |
dimethylarginine (SDMA + ADMA) | Amino Acid | Urea cycle; Arginine and Proline Metabolism | 36808 | LC/MS Pos Early | 100001810 | 2850 | 203.15026 | 102783-24-4 | 123831 | 110375 | C03626 | HMDB01539 | 0.9465 | 0.8852 | 1.0025 | 1.1353 | 1.2092 | 0.7814 | 1.4151 | 1.0142 | 1.0418 | 1.3336 | 1.1101 | 0.8407 | 1.2344 | 0.9489 | 1.0226 | 0.9363 | 0.9975 | 1.1292 | 0.6349 | 0.732 | 0.9356 | 0.727 | 0.7992 | 0.9718 | 1.3803 | 1.2452 | 1.0839 | 0.8457 | 0.8428 | 0.7226 | 0.9904 | 1.0996 | 1.1492 | 1.0807 | 1.1364 | 0.907 |
dimethylglycine | Amino Acid | Glycine, Serine and Threonine Metabolism | 5086 | LC/MS Pos Early | 806 | 1104 | 104.07061 | 1118-68-9 | 673 | 653 | C01026 | HMDB00092 | 0.7505 | 2.5176 | 1.5204 | 1.8472 | 1.2195 | 1.5772 | 0.1238 | 0.8265 | 0.4668 | 0.6976 | 1.5797 | 3.7444 | 0.3669 | 0.505 | 0.3061 | 0.4503 | 0.6574 | 0.1917 | 0.8674 | 1.0127 | 2.0102 | 1.0283 | 0.8314 | 2.1108 | 0.4678 | 0.2549 | 1.3455 | 0.1238 | 1 | 1.9456 | 1.2539 | 0.5011 | 0.6644 | 1.5985 | 1.2906 | 1.7497 |
docosadienoate (22:2n6) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 32415 | LC/MS Neg | 100001182 | 6034 | 335.29555 | 7370-49-2 | 5282807 | 4445934 | C16533 | HMDB61714 | 0.9714 | 0.7411 | 0.9989 | 0.8152 | 0.8913 | 1.0848 | 1.1526 | 0.681 | 0.8052 | 1.7421 | 1.0332 | 1.3166 | 2.1361 | 1.132 | 1.2259 | 0.5722 | 0.8105 | 1.7616 | 0.7094 | 0.6031 | 0.5114 | 0.5171 | 0.8216 | 1.8457 | 0.9782 | 1.3026 | 1.0394 | 1.3047 | 0.9413 | 0.639 | 0.9894 | 1.978 | 1.2408 | 1.0011 | 1.2882 | 1.1788 |
docosahexaenoate (DHA; 22:6n3) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 44675 | LC/MS Neg | 100000665 | 5525 | 327.23295 | 6217-54-5 | 445580 | 393183 | C06429 | HMDB02183 | 1.1112 | 0.7283 | 1.076 | 0.9331 | 1.0893 | 0.9498 | 1.3609 | 0.8192 | 1.044 | 1.7933 | 1.2071 | 1.2688 | 2.0923 | 1.3024 | 1.442 | 0.8055 | 0.8256 | 1.7842 | 0.7075 | 0.5482 | 0.5135 | 0.4918 | 0.7542 | 1.4932 | 0.9904 | 1.2171 | 1.0724 | 0.9674 | 0.6533 | 0.3661 | 0.8747 | 1.4765 | 0.8198 | 1.0096 | 1.0806 | 0.8253 |
docosapentaenoate (n3 DPA; 22:5n3) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 32504 | LC/MS Neg | 100001181 | 5571 | 329.2486 | 2234-74-4 | 6441454 | C16513 | HMDB06528 | 0.9781 | 0.6241 | 0.9897 | 0.8001 | 0.9174 | 1.0432 | 1.481 | 0.6749 | 1.0103 | 2.5881 | 1.3803 | 1.3913 | 3.0104 | 1.4324 | 1.5683 | 0.7623 | 0.7821 | 1.8995 | 0.6097 | 0.4554 | 0.4765 | 0.3981 | 0.7056 | 1.8283 | 1.0931 | 1.2424 | 1.0458 | 1.0248 | 0.6532 | 0.3245 | 0.8403 | 1.7896 | 0.9563 | 1.041 | 1.2885 | 0.8894 | |
docosapentaenoate (n6 DPA; 22:5n6) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 37478 | LC/MS Neg | 100001580 | 5624.5 | 329.2486 | 25182-74-5 | 6441454 | 4945614 | C16513 | HMDB01976 | 1.3946 | 0.8038 | 1.1695 | 1.0425 | 1.2947 | 0.9552 | 1.1923 | 0.8834 | 1.1553 | 1.8969 | 1.0898 | 1.0751 | 1.756 | 1.226 | 1.4908 | 0.7589 | 0.9265 | 1.9049 | 0.91 | 0.5476 | 0.4399 | 0.6361 | 0.8841 | 1.4181 | 0.8794 | 1.0296 | 1.2462 | 0.7687 | 0.6566 | 0.4408 | 0.8181 | 1.4031 | 0.8533 | 1.2132 | 0.9704 | 0.899 |
dodecanedioate (C12-DC) | Lipid | Fatty Acid, Dicarboxylate | 32388 | LC/MS Neg | 100001102 | 2990 | 229.14453 | 693-23-2 | 12736 | 12213 | C02678 | HMDB00623 | 0.9596 | 0.8199 | 0.9759 | 0.8089 | 1.397 | 0.9632 | 1.7341 | 1.1924 | 0.9582 | 1.695 | 1.6223 | 0.8345 | 1.3634 | 1.1452 | 1.0241 | 1.1257 | 0.8906 | 1.3003 | 0.6623 | 0.724 | 1.1841 | 0.8121 | 0.8569 | 1.0783 | 1.8528 | 1.3176 | 0.8007 | 1.0782 | 0.8354 | 0.739 | 0.9699 | 1.0862 | 1.1765 | 0.7658 | 1.0324 | 0.9552 |
eicosapentaenoate (EPA; 20:5n3) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 18467 | LC/MS Neg | 2050 | 5450 | 301.2173 | 10-2005-9;10417-94-4 | 446284 | 393682 | C06428 | HMDB01999 | 0.9045 | 0.8464 | 1.0066 | 0.9818 | 0.8254 | 1.0788 | 1.1921 | 0.8622 | 0.8719 | 1.4295 | 1.4024 | 1.1903 | 1.5607 | 1.1474 | 1.2809 | 0.9574 | 0.8232 | 1.3008 | 0.7395 | 0.8044 | 0.9934 | 0.6084 | 0.8281 | 1.3584 | 1.2574 | 1.2016 | 1.0963 | 1.0402 | 0.9444 | 0.6985 | 0.9362 | 1.2214 | 0.9475 | 0.9566 | 1.2073 | 1.0187 |
eicosenoate (20:1) | Lipid | Long Chain Monounsaturated Fatty Acid | 33587 | LC/MS Neg | 100001335 | 5950 | 309.2799 | 5282768 | 4445895 | C16526 | HMDB02231 | 0.9455 | 0.724 | 0.9778 | 0.7962 | 0.8657 | 1.0603 | 1.2005 | 0.6669 | 0.8595 | 1.7672 | 1.0378 | 1.3037 | 1.9858 | 1.1687 | 1.3287 | 0.6594 | 0.8181 | 1.5232 | 0.6925 | 0.5532 | 0.5152 | 0.5122 | 0.7341 | 1.6123 | 0.9869 | 1.1684 | 1.0131 | 1.1089 | 0.8661 | 0.5257 | 0.9105 | 1.7744 | 1.06 | 1.0244 | 1.3156 | 1.0385 | |
eicosenoylcarnitine (C20:1)* | Lipid | Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) | 57519 | LC/MS Pos Late | 100015838 | 1484 | 454.38909 | 0.4211 | 0.4529 | 3.8562 | 0.8446 | 1.376 | 0.9498 | 0.7394 | 1.3638 | 1.2156 | 1 | 1.6936 | 0.649 | 0.5666 | 2.0077 | 1.2187 | 0.5043 | 2.0315 | 3.4354 | 1.1945 | 0.8828 | 0.9624 | 0.6229 | 1.0228 | 0.5984 | 1.2188 | 1.5185 | 1.8717 | 0.5921 | 0.4372 | 0.4211 | 0.8101 | 2.7108 | 1.6672 | 0.4211 | 0.8851 | 0.4211 | |||||
erucate (22:1n9) | Lipid | Long Chain Monounsaturated Fatty Acid | 1552 | LC/MS Neg | 1087 | 6355.6 | 337.3112 | 112-86-7 | 5281116 | 7924 | C08316 | HMDB02068 | 1.3097 | 1.1097 | 0.88 | 0.7245 | 1.1194 | 1.3373 | 0.9036 | 0.6145 | 0.7937 | 1.3764 | 0.7599 | 1.0298 | 1.5653 | 0.9645 | 0.9702 | 0.7662 | 0.7054 | 1.7488 | 1.0636 | 0.8323 | 0.6079 | 0.5482 | 1.2024 | 1.6576 | 0.9366 | 1.4359 | 1.2105 | 0.9601 | 0.7643 | 0.9595 | 0.7938 | 1.5333 | 1.0343 | 1.1364 | 1.0544 | 1.3552 |
erucoylcarnitine (C22:1)* | Lipid | Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) | 57525 | LC/MS Pos Late | 100015841 | 1535 | 482.4204 | 0.5347 | 0.9602 | 4.0521 | 0.8047 | 2.9196 | 0.9231 | 0.7518 | 1.4626 | 2.3367 | 1.4099 | 2.9228 | 1.4301 | 0.7843 | 2.4922 | 2.0482 | 0.9286 | 1.9259 | 2.3216 | 1.1547 | 0.7937 | 0.7957 | 1.1196 | 0.6393 | 0.7853 | 0.9544 | 1.5854 | 1.5866 | 0.419 | 0.4442 | 0.2622 | 1.0398 | 2.6433 | 1.2984 | 0.7668 | 0.9104 | 0.4243 | |||||
erythritol | Xenobiotics | Food Component/Plant | 20699 | LC/MS Polar | 100000846 | 1491 | 167.05611 | 149-32-6 | 222285 | 13835932 | C00503 | HMDB02994 | 0.4641 | 0.4641 | 1.418 | 0.4641 | 1.3493 | 1.346 | 0.4641 | 0.4641 | 0.9228 | 0.9999 | 0.6049 | 0.6453 | 0.9231 | 1.1146 | 0.4641 | 0.4641 | 1.154 | 0.4641 | 0.4641 | 0.4641 | 0.7478 | 0.4641 | 0.4641 | 0.4641 | 0.945 | 1.3519 | 0.4641 | 0.4641 | 0.6231 | 0.8936 | 1.0011 | 1.0001 | 1.3076 | 0.4641 | 1.3854 | 0.4641 |
erythronate* | Carbohydrate | Aminosugar Metabolism | 42420 | LC/MS Polar | 100001320 | 2186 | 135.02989 | 88759-55-1 | 2781043 | 2061231 | HMDB00613 | 0.6961 | 0.8168 | 1.0918 | 0.9961 | 1.1614 | 0.7212 | 0.8623 | 0.8905 | 1.1109 | 0.8755 | 1.3621 | 0.8024 | 0.6633 | 0.8494 | 0.9317 | 1.3489 | 1.1052 | 1.0496 | 0.8912 | 0.8286 | 0.9021 | 0.6931 | 0.8023 | 1.1726 | 1.1219 | 0.9203 | 1.243 | 0.6908 | 1.0039 | 1.7733 | 1.0894 | 1.3818 | 1.2066 | 1.4007 | 1.0675 | 1.0372 | |
flavin adenine dinucleotide (FAD) | Cofactors and Vitamins | Riboflavin Metabolism | 2134 | LC/MS Neg | 327 | 2425 | 784.14985 | 146-14-5;84366-81-4 | 643975 | 559059 | C00016 | HMDB01248 | 0.8809 | 0.9622 | 1.003 | 1.1495 | 1.2155 | 0.9671 | 1.0525 | 0.797 | 0.997 | 1.4418 | 1.1758 | 1.0563 | 1.5221 | 1.1209 | 1.0537 | 1.0712 | 0.9949 | 0.8594 | 0.9636 | 0.8248 | 0.8739 | 0.8325 | 0.8064 | 1.0743 | 1.5385 | 1.1373 | 0.8465 | 0.7593 | 1.1712 | 0.9935 | 0.8048 | 0.5845 | 1.0057 | 0.7226 | 1.035 | 1.0164 |
flavin mononucleotide (FMN) | Cofactors and Vitamins | Riboflavin Metabolism | 15797 | LC/MS Neg | 100000251 | 2390 | 455.09733 | 130-40-5 | 710 | 690 | C00061 | HMDB01520 | 1.8226 | 1.3792 | 0.9985 | 0.6736 | 0.5569 | 0.5569 | 0.5967 | 0.5569 | 1.1128 | 0.8855 | 0.7622 | 0.7912 | 0.5729 | 0.6497 | 1.0015 | 1.4901 | 1.28 | 0.9731 | 0.8942 | 0.5569 | 0.5569 | 0.5569 | 0.5569 | 1.4297 | 1.5598 | 1.3389 | 1.324 | 0.7805 | 1.3356 | 0.8976 | 0.7597 | 0.6821 | 1.0296 | 1.0748 | 1.9679 | 1.4647 |
formiminoglutamate | Amino Acid | Histidine Metabolism | 43493 | LC/MS Pos Early | 100002500 | 1880 | 175.07134 | 816-90-0 | 439233 | 388370 | C00439 | HMDB00854 | 2.7218 | 0.3945 | 0.8022 | 0.7657 | 1.0383 | 0.2769 | 6.3262 | 3.9558 | 3.8865 | 2.5264 | 0.5641 | 0.6265 | 4.9646 | 1.8065 | 10.9122 | 2.3789 | 17.0845 | 10.1615 | 0.2882 | 0.6663 | 0.6107 | 0.4485 | 0.5164 | 0.5761 | 1.198 | 1.3083 | 0.9669 | 2.6949 | 0.5588 | 0.5682 | 0.6815 | 18.5433 | 0.7937 | 1.2424 | 1.0331 | 0.7831 |
fructose | Carbohydrate | Fructose, Mannose and Galactose Metabolism | 48195 | LC/MS Polar | 878 | 2065 | 225.06159 | 57-48-7 | 5984 | 5764 | C00095 | HMDB00660 | 0.7526 | 0.8919 | 1.0815 | 0.9238 | 0.7919 | 0.8051 | 0.9423 | 0.9441 | 0.8537 | 0.9808 | 1.086 | 0.6993 | 0.6221 | 0.9348 | 0.9007 | 1.225 | 0.9034 | 1.1303 | 0.5275 | 1.0691 | 1.2094 | 0.6642 | 0.7069 | 1.149 | 1.2782 | 1.0717 | 1.0364 | 1.0324 | 0.7783 | 1.0883 | 1.0465 | 1.0694 | 1.4799 | 1.034 | 1.1161 | 1.0192 |
fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates | Carbohydrate | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | 46896 | LC/MS Neg | 100002180 | 551 | 338.98897 | C00354 | 0.1733 | 0.6035 | 0.5654 | 1.056 | 0.5547 | 1.0197 | 1.0215 | 0.7715 | 0.2806 | 0.6935 | 0.6449 | 1.0446 | 1.6739 | 0.8172 | 0.6614 | 0.611 | 0.5735 | 1.5989 | 0.9803 | 2.2498 | 2.979 | 3.3262 | 1.2037 | 0.6284 | 0.9396 | 0.4619 | 1.0755 | 2.4101 | 1.7006 | 3.298 | 1.0792 | 0.6562 | 1.5791 | 0.556 | 1.2232 | 1.4194 | ||||
fructosyllysine | Amino Acid | Lysine Metabolism | 46227 | LC/MS Pos Early | 100005373 | 2784 | 309.16563 | 21291-40-7 | 123708 | 110281 | 0.7465 | 1.0667 | 1.2403 | 0.9436 | 1.0196 | 0.6786 | 1.3893 | 0.9838 | 1.109 | 1.3372 | 1.1317 | 0.645 | 0.7742 | 0.8453 | 0.909 | 1.3217 | 1.1568 | 1.1654 | 0.4554 | 0.7857 | 0.8138 | 0.5348 | 0.6679 | 1.0611 | 1.6213 | 1.3047 | 1.0835 | 1.0063 | 0.7698 | 0.6779 | 1.0407 | 0.9937 | 1.0766 | 0.7787 | 1.1502 | 0.7592 | ||
fumarate | Energy | TCA Cycle | 1643 | LC/MS Polar | 330 | 3084 | 115.00368 | 100-17-8 | 444972 | 10197150 | C00122 | HMDB00134 | 1.3032 | 0.8614 | 1.01 | 0.8679 | 1.5833 | 0.6361 | 1.2494 | 1.0224 | 1.3777 | 1.3982 | 0.7807 | 0.7569 | 1.1613 | 1.1059 | 0.9473 | 0.991 | 0.9146 | 0.9809 | 0.7229 | 0.7957 | 0.7341 | 0.8288 | 0.7402 | 1.0772 | 1.2446 | 1.2517 | 0.959 | 1.009 | 0.7756 | 1.3013 | 0.9386 | 1.3074 | 1.0377 | 1.2491 | 0.8683 | 1.1704 |
galactosylglycerol | Lipid | Galactosyl Glycerolipids | 57345 | LC/MS Polar | 100003064 | 2518 | 299.09837 | 16232-91-0 | 16048618 | 10263569 | C05401 | HMDB06790 | 0.6793 | 1.0531 | 0.8976 | 1.037 | 0.37 | 1.1493 | 0.3784 | 0.6782 | 0.6034 | 0.7108 | 1.5156 | 0.7754 | 0.8169 | 0.5756 | 0.9257 | 0.9858 | 0.857 | 1.9046 | 0.8828 | 1.0137 | 1.0052 | 0.9948 | 0.9601 | 1.2019 | 2.0437 | 1.4309 | 1.2394 | 0.7635 | 1.4022 | 1.6438 | 1.0665 | 0.8714 | 1.2245 | 1.6127 | 1.4377 | 1.5751 |
galactosylsphingosine | Lipid | Sphingosines | 40083 | LC/MS Pos Late | 100002498 | 1350 | 462.34253 | 2238-90-6 | 22833541 | 17215986 | C01747 | HMDB00648 | 1.0619 | 1.221 | 1.6284 | 1.2856 | 1.0144 | 0.6219 | 1.202 | 0.9892 | 1.2272 | 1.2833 | 1.0814 | 0.9373 | 1.0367 | 0.8108 | 1.1853 | 1.0663 | 1.0205 | 0.6854 | 0.3718 | 0.781 | 0.6206 | 0.5151 | 0.3212 | 0.8168 | 0.9639 | 1.2464 | 1.2269 | 0.9502 | 0.4131 | 0.6379 | 0.7468 | 0.9305 | 1.0108 | 1.0894 | 1.1239 | 0.8985 |
gamma-aminobutyrate (GABA) | Amino Acid | Glutamate Metabolism | 1416 | LC/MS Pos Early | 141 | 2048 | 104.07061 | 56-12-2 | 119 | 116 | C00334 | HMDB00112 | 1.185 | 0.902 | 0.9626 | 0.7011 | 1.362 | 0.5905 | 1.1489 | 0.6397 | 1.3679 | 1.2754 | 0.7004 | 0.5281 | 0.6866 | 1.1009 | 0.9637 | 1.2004 | 1.1565 | 1.4997 | 0.9575 | 0.6554 | 0.5281 | 0.8859 | 0.7401 | 0.7652 | 1.5465 | 1.6443 | 1.4823 | 0.6637 | 0.9496 | 1.0153 | 0.7936 | 1.1293 | 1.1805 | 1.0936 | 1.218 | 1 |
gamma-glutamyl-2-aminobutyrate | Peptide | Gamma-glutamyl Amino Acid | 37092 | LC/MS Pos Early | 100001502 | 2380 | 233.1132 | 16869-42-4 | 21403151 | 0.2833 | 0.8078 | 0.8766 | 0.2833 | 0.2833 | 0.2833 | 1.811 | 0.2833 | 0.7306 | 0.6539 | 0.4132 | 0.2833 | 0.2833 | 0.3519 | 0.437 | 0.2833 | 0.2833 | 1.2487 | 0.2833 | 0.2833 | 1.1234 | 0.2833 | 0.2833 | 1.6722 | 1.183 | 1.43 | 2.1371 | 0.2833 | 2.0542 | 1.777 | 0.2833 | 0.7024 | 0.5743 | 0.7989 | 2.0643 | 1.2739 | |||
gamma-glutamyl-alpha-lysine | Peptide | Gamma-glutamyl Amino Acid | 55015 | LC/MS Pos Early | 100010901 | 2784 | 276.1554 | 65254 | 58747 | 0.2088 | 1.8266 | 1.4894 | 0.555 | 0.5648 | 0.8314 | 1.7323 | 0.3076 | 1.9416 | 0.6818 | 0.3732 | 0.344 | 0.4027 | 1.5351 | 2.2085 | 1.6685 | 0.5144 | 1.6176 | 0.1748 | 1.1435 | 1.861 | 0.2165 | 0.3432 | 2.6052 | 3.9661 | 4.5599 | 2.3961 | 0.2925 | 2.8673 | 1.9805 | 0.4642 | 0.5034 | 0.5194 | 0.8565 | 3.5786 | 2.8519 | |||
gamma-glutamyl-epsilon-lysine | Peptide | Gamma-glutamyl Amino Acid | 33934 | LC/MS Pos Early | 100001262 | 2725 | 276.1554 | 17105-15-6 | 7015685 | 5378717 | HMDB03869 | 0.5013 | 0.4324 | 1.0247 | 0.4885 | 1.466 | 1.0042 | 1.6607 | 1.6704 | 0.5442 | 1.7652 | 1.0838 | 0.5834 | 0.8727 | 0.6875 | 0.5864 | 0.1831 | 0.9605 | 3.8162 | 1.1806 | 0.8915 | 1.283 | 0.9219 | 2.5536 | 1.2723 | 1.4223 | 2.8867 | 3.7758 | 0.9958 | 0.5518 | 0.3468 | 0.7075 | 2.7667 | 2.4748 | 1.5053 | 0.909 | 0.8709 | |
gamma-glutamylalanine | Peptide | Gamma-glutamyl Amino Acid | 37063 | LC/MS Pos Early | 100001843 | 1986 | 219.09755 | 5875-41-2 | 440103 | 389104 | HMDB29142 | 0.1571 | 1.7652 | 1 | 0.7156 | 0.3879 | 0.948 | 0.693 | 0.2317 | 1.1899 | 0.2575 | 0.307 | 0.6072 | 0.1729 | 0.6897 | 1.5182 | 1.5012 | 0.4614 | 1.4158 | 0.2102 | 1.1979 | 1.9905 | 0.1742 | 0.4262 | 3.5924 | 3.4965 | 4.4528 | 2.4704 | 0.1571 | 2.6163 | 2.6595 | 0.679 | 0.6412 | 1.0839 | 1.1439 | 4.5253 | 3.4864 | |
gamma-glutamylcysteine | Peptide | Gamma-glutamyl Amino Acid | 1778 | LC/MS Pos Early | 1036 | 2118 | 251.06963 | 636-58-8 | 842 | 819 | C00669 | HMDB01049 | 0.4339 | 0.4339 | 0.7438 | 0.8739 | 1.1277 | 0.6447 | 2.2643 | 0.5314 | 0.4339 | 1.6185 | 0.6924 | 0.4339 | 0.6634 | 0.7202 | 0.5981 | 1.8103 | 0.4339 | 1.4326 | 0.4339 | 0.5054 | 2.6506 | 0.4339 | 0.4339 | 2.5105 | 7.7398 | 3.5897 | 0.4339 | 0.4339 | 0.7588 | 1.7092 | 0.4339 | 0.4339 | 0.567 | 0.4339 | 1.5498 | 1.1261 |
gamma-glutamylglutamate | Peptide | Gamma-glutamyl Amino Acid | 36738 | LC/MS Pos Early | 331 | 1775 | 277.10303 | 1116-22-9 | 92865 | 83831 | C05282 | HMDB11737 | 0.9521 | 1.1871 | 0.9268 | 0.8753 | 1.2851 | 0.7618 | 1.2919 | 0.8552 | 1.067 | 0.8939 | 1.1848 | 0.9193 | 0.6714 | 0.8566 | 1.031 | 1.3151 | 1 | 0.9851 | 0.6402 | 0.8463 | 0.835 | 0.6242 | 0.5599 | 1.3715 | 1.6479 | 1.5707 | 1.1738 | 0.8349 | 0.9097 | 1.1775 | 1.0859 | 0.5599 | 1.0448 | 1.6851 | 1.5202 | 1.1744 |
gamma-glutamylglutamine | Peptide | Gamma-glutamyl Amino Acid | 2730 | LC/MS Pos Early | 1140 | 1430 | 276.11902 | 10148-81-9 | 150914 | 133013 | C05283 | HMDB11738 | 0.2777 | 1.1363 | 1.3148 | 0.9455 | 0.8681 | 0.8013 | 1.0222 | 0.7418 | 1.4064 | 0.3719 | 0.2951 | 0.602 | 0.6032 | 1.1021 | 1.3131 | 1.1434 | 2.0871 | 2.3264 | 0.0909 | 0.9778 | 1.2816 | 0.2257 | 0.3739 | 1.759 | 3.4885 | 2.7081 | 1.2606 | 0.2229 | 1.5523 | 1.0437 | 0.5598 | 0.8718 | 0.693 | 0.7757 | 2.4143 | 1.674 |
gamma-glutamylglycine | Peptide | Gamma-glutamyl Amino Acid | 33949 | LC/MS Pos Early | 100001294 | 1535 | 205.0819 | 1948-29-4 | 165527 | 145071 | HMDB11667 | 0.2419 | 1.1136 | 0.7729 | 0.2419 | 0.2419 | 0.4727 | 0.8737 | 0.2419 | 0.6412 | 0.2419 | 0.2419 | 0.2419 | 0.2419 | 0.5338 | 1.3738 | 1.4868 | 0.8536 | 1.3415 | 0.2419 | 0.2915 | 0.602 | 0.2419 | 0.2419 | 1.1834 | 2.3311 | 3.3064 | 1.1867 | 0.2419 | 1.4198 | 0.9934 | 0.2419 | 0.7014 | 0.3928 | 1.0066 | 1.84 | 1.5915 | |
gamma-glutamylhistidine | Peptide | Gamma-glutamyl Amino Acid | 18245 | LC/MS Pos Early | 1235 | 2740 | 285.11935 | 37460-15-4 | 7017195 | 5380197 | 0.3431 | 0.8452 | 0.3431 | 0.3431 | 0.3431 | 0.3431 | 0.3431 | 0.3431 | 0.8198 | 0.3431 | 0.3431 | 0.3431 | 0.3431 | 0.3793 | 0.8107 | 0.7636 | 0.3431 | 1.1973 | 0.3431 | 0.3431 | 0.4768 | 0.3431 | 0.3431 | 1.2036 | 2.1695 | 2.7297 | 1 | 0.3431 | 1.1303 | 1.2667 | 0.3431 | 0.3431 | 0.3431 | 0.8348 | 2.1249 | 1.8842 | ||
gamma-glutamylisoleucine* | Peptide | Gamma-glutamyl Amino Acid | 34456 | LC/MS Pos Early | 100001485 | 2940 | 261.1445 | 14253342 | 21403145 | HMDB11170 | 0.2319 | 1.3098 | 1 | 0.2319 | 0.3389 | 0.5995 | 0.682 | 0.2319 | 0.9221 | 0.2406 | 0.2319 | 0.2319 | 0.2319 | 0.629 | 1.2438 | 0.7137 | 0.2795 | 1.8287 | 0.2319 | 0.9015 | 1.7867 | 0.2319 | 0.2319 | 2.0599 | 3.2491 | 4.3995 | 2.8368 | 0.2319 | 1.7658 | 2.285 | 0.2319 | 0.2319 | 0.3708 | 0.4113 | 3.1373 | 2.4946 | ||
gamma-glutamylleucine | Peptide | Gamma-glutamyl Amino Acid | 18369 | LC/MS Pos Early | 1268 | 2991 | 261.1445 | 2566-39-4 | 151023 | 133115 | HMDB11171 | 0.1816 | 1.7061 | 1.2833 | 0.4374 | 0.5685 | 0.8712 | 1.3182 | 0.2342 | 1.3152 | 0.6638 | 0.3494 | 0.2446 | 0.2594 | 1.1987 | 1.5562 | 1.2854 | 0.3583 | 2.3195 | 0.2724 | 1.1288 | 1.9455 | 0.3242 | 0.3843 | 2.341 | 4.0149 | 4.5171 | 2.257 | 0.2454 | 2.0349 | 1.9584 | 0.3711 | 0.4754 | 0.4695 | 0.5524 | 2.7138 | 2.404 | |
gamma-glutamylmethionine | Peptide | Gamma-glutamyl Amino Acid | 44872 | LC/MS Pos Early | 100001313 | 2640 | 279.10092 | 17663-87-5 | 7009567 | 5373147 | HMDB29155 | 0.2686 | 0.8295 | 1.0833 | 0.5532 | 1 | 0.8619 | 1.7724 | 0.2686 | 0.2913 | 0.8941 | 0.4545 | 0.5732 | 0.4166 | 0.7034 | 0.6656 | 0.2686 | 0.2686 | 4.1039 | 0.2686 | 1.2579 | 4.4679 | 0.2686 | 0.2686 | 0.8265 | 7.4809 | 3.2366 | 2.6252 | 0.2686 | 1.1643 | 2.3538 | 0.2686 | 0.2686 | 0.2686 | 0.2686 | 1.6036 | 1.0422 | |
gamma-glutamylphenylalanine | Peptide | Gamma-glutamyl Amino Acid | 33422 | LC/MS Neg | 100000491 | 1825 | 293.11429 | 7432-24-8 | 111299 | 99868 | HMDB00594 | 0.3228 | 1.072 | 0.928 | 0.3228 | 0.4131 | 0.5456 | 0.6329 | 0.3228 | 1.1225 | 0.3524 | 0.3228 | 0.3228 | 0.3228 | 0.7911 | 1.3229 | 0.7309 | 0.3267 | 2.2089 | 0.3228 | 0.7482 | 1.6181 | 0.3228 | 0.3228 | 1.4677 | 3.0511 | 3.9538 | 1.8877 | 0.3228 | 1.2231 | 1.1206 | 0.3228 | 0.4775 | 0.4844 | 0.6146 | 1.9285 | 1.9687 | |
gamma-glutamylserine | Peptide | Gamma-glutamyl Amino Acid | 54914 | LC/MS Pos Early | 100009231 | 1351 | 235.09247 | 5875-35-4 | 18691889 | 0.3143 | 1.4512 | 0.8695 | 1.0405 | 0.9086 | 0.9718 | 0.9537 | 0.7101 | 1.423 | 0.5536 | 0.1446 | 0.5167 | 0.7582 | 0.7376 | 1.3462 | 1.2799 | 1.3175 | 2.0425 | 0.2548 | 0.7253 | 1 | 0.1483 | 0.3894 | 1.7363 | 2.2208 | 3.4705 | 1.7509 | 0.1446 | 1.4316 | 1.5573 | 0.6081 | 0.9705 | 1.1122 | 1.5578 | 2.7039 | 2.0476 | |||
gamma-glutamylthreonine | Peptide | Gamma-glutamyl Amino Acid | 33364 | LC/MS Pos Early | 100001314 | 1750 | 249.10812 | 5652-48-2 | 76078708 | 21403107 | HMDB29159 | 0.2821 | 0.7963 | 0.2821 | 1.7354 | 1.3327 | 0.7962 | 0.8134 | 0.5641 | 0.2821 | 0.2895 | 0.2821 | 0.3617 | 0.5622 | 0.2821 | 0.2821 | 0.898 | 0.7028 | 1.6793 | 0.431 | 0.5062 | 0.2821 | 0.2821 | 0.2933 | 2.0315 | 1.6076 | 2.6057 | 1.0017 | 0.2821 | 1.2603 | 1.3158 | 1 | 0.2821 | 2.3436 | 2.4266 | 1.886 | 1.5894 | |
gamma-glutamylvaline | Peptide | Gamma-glutamyl Amino Acid | 43829 | LC/MS Pos Early | 100001126 | 2700 | 247.12885 | 2746-34-1 | 7015683 | HMDB11172 | 0.3933 | 1.4767 | 0.9931 | 0.7626 | 0.8681 | 0.8977 | 0.5179 | 0.4968 | 1.4726 | 0.5331 | 0.6289 | 0.6198 | 0.4671 | 1.0069 | 1.6242 | 1.3842 | 0.7513 | 2.2591 | 0.7319 | 1.0721 | 1.5289 | 0.6022 | 0.6527 | 2.156 | 2.6008 | 3.8604 | 2.0614 | 0.4594 | 1.72 | 1.856 | 0.868 | 1.0947 | 0.9502 | 1.198 | 2.7948 | 2.4885 | ||
gamma-tocopherol/beta-tocopherol | Cofactors and Vitamins | Tocopherol Metabolism | 52473 | LC/MS Pos Late | 100008998 | 2384 | 416.36427 | 0.6791 | 1.133 | 1.179 | 1.2221 | 1.0635 | 1.0812 | 0.6687 | 0.9426 | 0.9739 | 1.078 | 1.1727 | 0.9709 | 1.1526 | 1.1086 | 0.8284 | 1.1305 | 1.1823 | 1.0613 | 0.9203 | 0.8141 | 0.8847 | 0.8818 | 0.6667 | 0.7144 | 1.008 | 0.9468 | 1.3709 | 0.5979 | 1.145 | 1.1607 | 0.9889 | 0.9382 | 1.078 | 1.0085 | 0.992 | 0.7541 | |||||
gamma-tocotrienol | Cofactors and Vitamins | Tocopherol Metabolism | 37501 | LC/MS Pos Late | 100001981 | 1918 | 410.3179 | 14101-61-2 | 5282349 | 4445514 | C14155 | HMDB12958 | 1.0891 | 0.9494 | 0.8181 | 1.2309 | 0.7726 | 0.3946 | 0.3946 | 1.2864 | 0.9022 | 0.3946 | 0.3946 | 0.3946 | 0.3946 | 0.3946 | 0.833 | 1.224 | 1.3192 | 1.6582 | 0.3946 | 1.2684 | 0.7444 | 0.9956 | 0.9399 | 0.6149 | 0.3946 | 0.3946 | 1.3952 | 0.6884 | 1.4033 | 1.3901 | 1.2639 | 1.0044 | 0.9068 | 0.3946 | 0.3946 | 0.3946 |
gluconate | Xenobiotics | Food Component/Plant | 587 | LC/MS Polar | 338 | 2922 | 195.05102 | 527-07-1 | 10690 | 10240 | C00257 | HMDB00625 | 0.3013 | 1.0663 | 0.9129 | 1.273 | 0.9673 | 1.1047 | 0.6772 | 1.0552 | 0.7248 | 1.3749 | 1.1049 | 0.8118 | 0.7569 | 0.7117 | 0.7516 | 0.9185 | 1.0327 | 1.2711 | 0.2719 | 0.8536 | 1.3784 | 0.5454 | 0.8095 | 1.4437 | 1.9638 | 1.6247 | 1.4198 | 1.2295 | 0.8363 | 0.905 | 0.8519 | 1.0553 | 1.3638 | 0.8549 | 1.1088 | 1.0647 |
glucose | Carbohydrate | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | 48152 | LC/MS Polar | 572 | 2342 | 225.06159 | 50-99-7 | 79025 | 71358 | C00031 | HMDB00122 | 0.7953 | 0.9869 | 1.1964 | 0.94 | 0.9448 | 0.8357 | 1.0397 | 0.9747 | 1.0021 | 0.9971 | 1.1304 | 0.8531 | 0.7112 | 0.9683 | 0.9986 | 1.1562 | 1.0294 | 1.0313 | 0.7506 | 1.03 | 1.0014 | 0.7426 | 0.798 | 1.1069 | 1.1143 | 1.1836 | 0.8967 | 0.8164 | 0.899 | 1.071 | 0.9632 | 1.2537 | 1.1413 | 1.2725 | 1.0587 | 1.0326 |
glucose 6-phosphate | Carbohydrate | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | 31260 | LC/MS Polar | 291 | 4537 | 259.02244 | 103192-55-8 | 5958 | 19952394 | C00668 | HMDB01401 | 0.5357 | 1.7583 | 1.1181 | 1.0211 | 1.0454 | 1.138 | 2.1896 | 0.5706 | 0.9305 | 3.1234 | 0.9837 | 0.5589 | 0.3263 | 0.7523 | 0.7529 | 1.2868 | 0.7827 | 1.0538 | 2.1075 | 0.7071 | 1.8791 | 0.3519 | 0.3263 | 1.0321 | 1.9989 | 2.3224 | 0.3263 | 0.9858 | 0.3263 | 0.3263 | 0.3263 | 1 | 0.6047 | 0.6712 | 0.7739 | 1.6735 |
glucuronate | Carbohydrate | Aminosugar Metabolism | 15443 | LC/MS Polar | 100000257 | 3233.3 | 193.03537 | 207300-70-7 | 444791 | 58552 | C00191 | HMDB00127 | 0.9296 | 1.2691 | 0.9902 | 1.0039 | 0.925 | 0.9208 | 0.8484 | 0.7038 | 0.9961 | 1.1583 | 1.1331 | 0.9008 | 0.9057 | 0.9641 | 0.7202 | 0.9855 | 0.8774 | 0.7014 | 1.1358 | 1.3104 | 1.0291 | 0.7198 | 0.9241 | 1.1739 | 1.8081 | 1.9598 | 1.1202 | 0.7716 | 1.0912 | 1.2191 | 1.0853 | 0.8814 | 1.4342 | 1.4813 | 1.6551 | 1.481 |
glucuronate 1-phosphate* | Carbohydrate | Nucleotide Sugar | 52312 | LC/MS Neg | 100001585 | 560 | 273.0017 | 13168-11-1 | 21403173 | C04037,C01195,C05385 | HMDB03976 | 0.9534 | 0.9916 | 1.0006 | 0.9392 | 0.944 | 0.9546 | 1.2199 | 0.9994 | 0.9986 | 1.2359 | 1.2674 | 0.7989 | 1.0242 | 1.2552 | 1.0233 | 0.9982 | 1.3063 | 1.0867 | 0.6987 | 0.8913 | 1.212 | 0.8954 | 0.8497 | 1.0766 | 1.3387 | 1.6416 | 0.9706 | 1.0711 | 0.9667 | 0.6971 | 1.2111 | 1.054 | 0.8906 | 1.3609 | 1.0971 | 0.979 | |
glutamate | Amino Acid | Glutamate Metabolism | 57 | LC/MS Pos Early | 561 | 1500 | 148.06044 | 56-86-0 | 611 | 591 | C00025 | HMDB00148 | 1.0308 | 0.978 | 0.9421 | 0.9481 | 1.2259 | 0.7939 | 1.3829 | 0.9573 | 1.1207 | 1.4937 | 1.0249 | 0.8282 | 1.2471 | 1.0014 | 1.0269 | 1.0079 | 0.9751 | 1.1725 | 0.6058 | 0.7438 | 0.9425 | 0.8487 | 0.7507 | 0.9986 | 1.5086 | 1.3123 | 1.1881 | 0.9567 | 0.8259 | 0.9402 | 0.9307 | 1.021 | 0.9783 | 1.1734 | 1.1322 | 1.0781 |
glutamate, gamma-methyl ester | Amino Acid | Glutamate Metabolism | 33487 | LC/MS Pos Early | 100001103 | 2170 | 162.07609 | 1499-55-4;1499-55-4 | 68662 | 66546 | HMDB61715 | 1.0849 | 0.7824 | 1.2319 | 1.0871 | 1.0647 | 1.0718 | 1.1279 | 0.9341 | 0.9986 | 1.0236 | 1.3098 | 1.0014 | 1.1532 | 0.8594 | 0.9725 | 0.9682 | 0.981 | 1.1186 | 0.5709 | 0.9799 | 0.9806 | 0.7373 | 0.7667 | 0.987 | 1.1915 | 1.0212 | 1.1543 | 0.9144 | 0.9131 | 0.8755 | 1.0426 | 0.9914 | 1.0546 | 1.324 | 1.1975 | 0.9266 | |
glutamine | Amino Acid | Glutamate Metabolism | 53 | LC/MS Pos Early | 563 | 1291 | 147.07642 | 56-85-9 | 5961 | 5746 | C00064 | HMDB00641 | 1.0036 | 0.8909 | 1.1724 | 1.052 | 0.998 | 0.7949 | 1.4487 | 1.1835 | 1.3601 | 1.0764 | 1.0915 | 0.8615 | 0.9271 | 1.2861 | 1.017 | 0.9738 | 1.6399 | 1.2978 | 0.4047 | 0.8979 | 1.0995 | 0.7716 | 0.8767 | 0.9351 | 1.3133 | 1.2502 | 0.9791 | 0.9999 | 0.9467 | 0.6033 | 1.0001 | 1.182 | 0.8988 | 0.7318 | 1.1518 | 0.8134 |
glutaminylleucine | Peptide | Dipeptide | 42994 | LC/MS Pos Early | 100003160 | 3009 | 260.16049 | 0.4102 | 0.4247 | 0.5368 | 1.2219 | 1.9478 | 0.2789 | 2.8168 | 1.1416 | 0.7491 | 1.7131 | 2.4413 | 0.3751 | 1.939 | 0.6483 | 0.9551 | 1.6631 | 0.2789 | 0.7997 | 0.2789 | 0.4451 | 2.0816 | 0.2789 | 0.2789 | 1.0299 | 3.9162 | 1.7615 | 0.2789 | 0.9701 | 1.2616 | 0.2789 | 0.5316 | 0.2789 | 0.2789 | 0.2789 | 0.2885 | 0.2789 | |||||
glutarate (C5-DC) | Lipid | Fatty Acid, Dicarboxylate | 396 | LC/MS Polar | 339 | 2900 | 131.03498 | 110-94-1 | 743 | 3618533 | C00489 | HMDB00661 | 1.0777 | 0.7716 | 0.7056 | 1.0171 | 1.8563 | 0.5329 | 3.1122 | 0.8256 | 1.0223 | 6.1769 | 0.8563 | 1.7953 | 1.2844 | 0.7849 | 0.9095 | 0.9829 | 1.1494 | 0.7461 | 0.6267 | 0.595 | 2.0074 | 7.7707 | 0.7728 | 0.8078 | 6.138 | 1.1547 | 1.1276 | 0.5583 | 0.7028 | 1.1318 | 0.7934 | 0.9572 | 0.5963 | 1.0772 | 1.2065 | 1.811 |
glutarylcarnitine (C5-DC) | Amino Acid | Lysine Metabolism | 44664 | LC/MS Pos Early | 100001593 | 2393 | 276.14417 | 102636-82-8 | 71464488 | 21403175 | HMDB13130 | 1.1925 | 0.3267 | 1.6804 | 0.9554 | 1.3026 | 1.0446 | 1.8704 | 2.0171 | 1.6485 | 1.6503 | 1.823 | 0.7482 | 1.584 | 1.6549 | 1.4316 | 1.2296 | 1.9487 | 1.9952 | 0.2636 | 0.858 | 0.6155 | 0.2457 | 0.6606 | 0.3201 | 0.8338 | 0.8758 | 1.4846 | 0.847 | 0.3945 | 0.2218 | 2.1471 | 2.0587 | 0.4174 | 0.6024 | 0.7108 | 0.319 | |
glutathione, oxidized (GSSG) | Amino Acid | Glutathione Metabolism | 27727 | LC/MS Pos Early | 448 | 2667 | 613.15925 | 103239-24-3 | 65359 | 58835 | C00127 | HMDB03337 | 1.5755 | 0.4896 | 0.6638 | 1.3507 | 1.3572 | 0.7857 | 1.0037 | 0.9883 | 0.6019 | 1.7795 | 2.5443 | 1.6815 | 1.3431 | 0.8102 | 0.5086 | 0.8123 | 1.3486 | 0.6451 | 1.4349 | 0.7283 | 1.0778 | 1.2454 | 1.1536 | 0.5692 | 0.4961 | 0.5967 | 0.768 | 1.161 | 0.4962 | 1.1889 | 1.5532 | 0.9963 | 1.6394 | 3.2362 | 0.6764 | 0.4575 |
glutathione, reduced (GSH) | Amino Acid | Glutathione Metabolism | 2127 | LC/MS Pos Early | 496 | 2000 | 308.09109 | 70-18-8 | 124886 | 111188 | C00051 | HMDB00125 | 1.2188 | 0.9935 | 0.9815 | 1.0646 | 1.406 | 0.6453 | 1.0065 | 1.2316 | 0.5854 | 1.3737 | 1.4113 | 1.033 | 0.7483 | 0.8002 | 0.544 | 0.8763 | 1.3173 | 1.0833 | 0.9745 | 0.782 | 0.9494 | 1.4637 | 1.4835 | 0.8721 | 0.7238 | 0.6594 | 0.856 | 1.3736 | 0.6315 | 1.6105 | 1.6248 | 1.3449 | 1.6205 | 2.757 | 0.8414 | 0.6765 |
glycerate | Carbohydrate | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | 1572 | LC/MS Polar | 1052 | 2070.4 | 105.01933 | 600-19-1 | 752 | 732 | C00258 | HMDB00139 | 1.3247 | 0.8749 | 1.1629 | 1.0939 | 1.1439 | 0.7777 | 0.8435 | 0.8214 | 0.9714 | 0.9189 | 1.129 | 0.8277 | 1.0192 | 0.8765 | 0.8765 | 0.9546 | 0.9883 | 0.9758 | 0.9942 | 0.9401 | 0.9341 | 0.9493 | 1.0058 | 1.0159 | 1.2388 | 1.4102 | 1.9045 | 1.279 | 1.032 | 0.9695 | 1.0891 | 1.6852 | 1.8809 | 1.2857 | 1.1632 | 0.9316 |
glycerol | Lipid | Glycerolipid Metabolism | 15122 | LC/MS Neg | 1254 | 758 | 91.04007 | 56-81-5 | 753 | 733 | C00116 | HMDB00131 | 1.1206 | 0.6975 | 1.3058 | 0.8087 | 1.4064 | 0.9906 | 2.0152 | 0.7973 | 0.9114 | 2.0855 | 1.7217 | 0.9936 | 1.6313 | 1.4589 | 0.999 | 1.1607 | 1.4098 | 1.3469 | 0.4745 | 0.9299 | 1.337 | 0.5187 | 0.8579 | 1.1975 | 1.3699 | 1.0534 | 1.2777 | 1.001 | 0.6836 | 0.5764 | 1.0152 | 0.8868 | 0.881 | 0.755 | 0.7291 | 0.5698 |
glycerol 3-phosphate | Lipid | Glycerolipid Metabolism | 43847 | LC/MS Pos Early | 100000258 | 580 | 173.02095 | 29849-82-9 | 754 | 734 | C00093 | HMDB00126 | 1.0437 | 1.0174 | 1.4706 | 0.6537 | 0.9826 | 0.7203 | 1.1769 | 0.6459 | 1.0287 | 1.025 | 1.1604 | 1.0583 | 1.0688 | 1.3382 | 0.9786 | 1.0866 | 1.1231 | 0.8771 | 1.0184 | 0.6976 | 1.2339 | 0.8492 | 0.8051 | 0.914 | 0.8375 | 1.0568 | 0.6353 | 0.712 | 0.9492 | 1.1567 | 0.8677 | 1.1152 | 1.1779 | 0.8846 | 0.9768 | 0.968 |
glycerophosphoethanolamine | Lipid | Phospholipid Metabolism | 37455 | LC/MS Pos Early | 100001620 | 659 | 216.06315 | 33049-08-0 | 123874 | 110410 | C01233 | HMDB00114 | 0.9534 | 0.7824 | 1.0009 | 1.0293 | 0.6896 | 0.79 | 1.0024 | 0.9727 | 0.8905 | 0.8416 | 1.041 | 0.9547 | 1.1758 | 0.9469 | 0.9991 | 1.0524 | 0.9097 | 1.2843 | 0.8438 | 1.0338 | 0.9817 | 1.0199 | 0.8342 | 1.0694 | 1.1018 | 1.0964 | 1.0354 | 0.9311 | 0.9599 | 1.327 | 0.9397 | 0.9977 | 1.4211 | 1.1404 | 1.1641 | 1.056 |
glycerophosphoglycerol | Lipid | Glycerolipid Metabolism | 48857 | LC/MS Polar | 100001619 | 2430 | 245.04317 | 439964 | 388990 | C03274 | 0.9446 | 0.9148 | 1.2849 | 1.198 | 1.4059 | 0.6678 | 1.0483 | 0.9673 | 1.216 | 1.382 | 0.7495 | 0.69 | 1.0202 | 0.8407 | 0.9823 | 1.0318 | 0.758 | 1.403 | 0.7098 | 0.6388 | 0.8613 | 0.5247 | 0.683 | 0.7801 | 1.8274 | 1.3364 | 1.0654 | 0.6242 | 0.8084 | 1.0177 | 1.0549 | 1.2128 | 1.1822 | 1.0411 | 1.048 | 0.9164 | ||
glycerophosphoinositol* | Lipid | Phospholipid Metabolism | 52307 | LC/MS Pos Early | 100001621 | 516 | 335.07378 | 16824-65-0 | 167572 | 0.6041 | 0.7902 | 0.9157 | 0.8409 | 0.9322 | 0.9202 | 1.1405 | 0.9566 | 1.0834 | 0.871 | 0.5877 | 0.6254 | 1.0173 | 1.1032 | 0.9503 | 1.0459 | 0.9061 | 2.5648 | 2.4591 | 0.9827 | 0.8415 | 0.8312 | 1.7179 | 1.2506 | 1.2511 | 1.3683 | 1.7975 | 1.0323 | 1.3793 | 1.5444 | 0.8593 | 1.059 | 0.8862 | 0.9269 | 1.0952 | 1.1763 | |||
glycerophosphorylcholine (GPC) | Lipid | Phospholipid Metabolism | 15990 | LC/MS Pos Early | 100000269 | 672 | 258.1101 | 28319-77-9 | 71920 | 571409 | C00670 | HMDB00086 | 0.8936 | 0.9671 | 0.8995 | 1.1158 | 0.7357 | 0.9473 | 0.9452 | 0.9677 | 0.9185 | 0.8558 | 1.1553 | 0.9542 | 1.0052 | 1.0177 | 1.0066 | 1.0416 | 0.7223 | 1.2556 | 0.7836 | 1.0094 | 0.9774 | 0.878 | 0.9619 | 1.0525 | 1.2715 | 1.356 | 1.2436 | 0.9007 | 0.9948 | 1.1288 | 1.0492 | 1.1251 | 1.1831 | 1.1249 | 1.1523 | 0.9779 |
glycerophosphoserine* | Lipid | Phospholipid Metabolism | 57404 | LC/MS Pos Early | 100015666 | 577 | 260.05298 | 3081457 | 2339060 | 0.7695 | 1.024 | 0.7339 | 0.8738 | 1.1223 | 1.0403 | 1.3689 | 1.8042 | 0.8855 | 0.9903 | 0.5442 | 0.5548 | 0.9821 | 0.891 | 1.0991 | 0.8275 | 1.019 | 6.9997 | 2.0203 | 0.6653 | 0.5633 | 0.9577 | 1.6764 | 1.0329 | 0.8308 | 1.3054 | 3.1634 | 1.2393 | 0.7808 | 0.8983 | 0.7733 | 1.4671 | 0.9223 | 1.3795 | 1.0097 | 1.3465 | |||
glycine | Amino Acid | Glycine, Serine and Threonine Metabolism | 58 | LC/MS Pos Early | 340 | 1375 | 76.03931 | 56-40-6 | 750 | 730 | C00037 | HMDB00123 | 0.7186 | 0.9938 | 1.0207 | 0.9672 | 1.0186 | 0.8921 | 1.3329 | 1.0009 | 0.8426 | 1.4066 | 0.9716 | 0.8101 | 1.2978 | 0.9656 | 1.0483 | 1.0492 | 1.0059 | 1.3392 | 0.4636 | 0.8378 | 1.0055 | 0.7112 | 0.8829 | 0.8784 | 1.5102 | 1.4313 | 1.2723 | 0.9693 | 0.8574 | 0.7942 | 0.9808 | 1.2325 | 0.9991 | 1.0729 | 1.0745 | 1.0049 |
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* | Lipid | Hexosylceramides (HCER) | 57369 | LC/MS Pos Late | 100001878 | 3990 | 810.68175 | 0.1887 | 1.1609 | 1.4012 | 1.139 | 1.1238 | 0.478 | 0.8573 | 0.8455 | 1.0402 | 1.6982 | 1.1509 | 1.0064 | 0.7823 | 0.8323 | 0.9374 | 0.1887 | 1.3946 | 0.9221 | 1 | 0.9502 | 0.2525 | 1.1409 | 1.7295 | 1.1345 | 0.5256 | 0.5998 | 0.5064 | 0.9344 | 0.9717 | 0.2054 | 1.1601 | 1.6427 | 1.9412 | 1.4838 | 2.5972 | 0.9846 | |||||
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) | Lipid | Hexosylceramides (HCER) | 53013 | LC/MS Pos Late | 100009272 | 2623 | 700.5722 | 0.3154 | 0.5754 | 1.5485 | 0.3154 | 0.9905 | 0.3154 | 0.3154 | 0.3154 | 0.3341 | 1.2692 | 0.3154 | 0.3154 | 0.3154 | 0.3154 | 0.3154 | 0.3154 | 1.2116 | 1.1837 | 0.929 | 0.3154 | 0.3154 | 0.9469 | 1.6577 | 0.4541 | 0.3154 | 0.3154 | 2.7685 | 0.3154 | 0.3537 | 0.3154 | 0.3154 | 1.0095 | 0.3154 | 0.3154 | 1.3116 | 0.3154 | |||||
glycylisoleucine | Peptide | Dipeptide | 36659 | LC/MS Pos Early | 100001790 | 3002 | 189.12337 | 19461-38-2 | 88079 | 19972556 | HMDB28844 | 0.4564 | 0.8872 | 1 | 2.0108 | 2.8113 | 1.4781 | 4.0141 | 1.6355 | 0.7299 | 3.0455 | 2.3264 | 0.9976 | 3.0327 | 1.3447 | 1.3759 | 1.3332 | 0.4039 | 0.8151 | 0.2204 | 0.9562 | 2.4344 | 0.3695 | 0.3169 | 1.2487 | 4.8493 | 1.9438 | 0.305 | 1.4961 | 1.3754 | 0.4953 | 0.6727 | 0.2204 | 0.3165 | 0.3016 | 0.8333 | 0.6175 | |
glycylleucine | Peptide | Dipeptide | 34398 | LC/MS Pos Early | 100001258 | 3059 | 189.12337 | 869-19-2 | 92843 | 83812 | C02155 | HMDB00759 | 0.5331 | 0.7549 | 0.8907 | 1.5237 | 2.2606 | 1.2753 | 3.4911 | 1.1594 | 0.6831 | 3.0229 | 1.974 | 1.0351 | 2.6534 | 1.1711 | 1.1926 | 1.1806 | 0.4347 | 0.7595 | 0.0982 | 0.9649 | 2.0764 | 0.3651 | 0.4167 | 1.1126 | 4.1258 | 1.7228 | 0.4177 | 1.2527 | 1.2349 | 0.6748 | 0.5659 | 0.2512 | 0.334 | 0.3888 | 0.906 | 0.6264 |
glycylvaline | Peptide | Dipeptide | 18357 | LC/MS Pos Early | 100000487 | 2734 | 175.10772 | 1963-21-9 | 97417 | 2006926 | HMDB28854 | 0.634 | 0.9641 | 0.974 | 1.8077 | 2.3645 | 1.2609 | 3.1296 | 1.4594 | 0.8951 | 2.5001 | 1.9608 | 0.8464 | 2.2588 | 1.2004 | 1.3605 | 1.3866 | 0.5896 | 0.8653 | 0.1268 | 1.026 | 2.1238 | 0.4393 | 0.4345 | 1.4497 | 4.3584 | 1.8656 | 0.526 | 1.4018 | 1.3085 | 0.8411 | 0.7654 | 0.4004 | 0.4668 | 0.5437 | 0.9433 | 0.7347 | |
guanidinoacetate | Amino Acid | Creatine Metabolism | 43802 | LC/MS Pos Early | 344 | 1937 | 118.06111 | 352-97-6 | 763 | 743 | C00581 | HMDB00128 | 0.3321 | 0.3321 | 0.3321 | 0.3321 | 0.4129 | 0.4119 | 0.3321 | 0.3321 | 0.3321 | 0.3321 | 0.3321 | 0.3321 | 4.1672 | 1.9327 | 1.6645 | 1.3014 | 0.3321 | 1.9994 | 0.3321 | 0.3321 | 0.3321 | 0.4438 | 0.3805 | 0.3321 | 10.3895 | 2.413 | 0.9826 | 0.7773 | 0.5285 | 0.3321 | 0.3321 | 3.8933 | 0.9296 | 7.544 | 1.0174 | 0.7697 |
guanine | Nucleotide | Purine Metabolism, Guanine containing | 32352 | LC/MS Pos Early | 172 | 2032 | 152.05669 | 73-40-5 | 764 | 744 | C00242 | HMDB00132 | 0.8174 | 0.8954 | 1.1996 | 1.0625 | 1.4762 | 0.8646 | 1.7723 | 1.5575 | 0.9568 | 1.3087 | 1.0051 | 0.5392 | 0.8848 | 1.015 | 1.1935 | 0.7914 | 1.2395 | 1.6991 | 0.5974 | 0.6725 | 0.9611 | 0.5971 | 1.1782 | 0.9949 | 1.7046 | 0.9756 | 1.3674 | 0.9094 | 0.7223 | 0.674 | 1.0422 | 1.6724 | 1.1047 | 0.8686 | 1.2375 | 0.5371 |
guanosine | Nucleotide | Purine Metabolism, Guanine containing | 1573 | LC/MS Pos Early | 1099 | 1728 | 284.09895 | 118-00-3 | 6802 | 6544 | C00387 | HMDB00133 | 0.5719 | 0.8599 | 1.0635 | 1.024 | 1.0939 | 0.9944 | 1.5717 | 1.2876 | 0.7265 | 1.2333 | 1.0112 | 0.7314 | 1.3577 | 1.0557 | 1.019 | 0.9144 | 0.8115 | 1.5252 | 0.7048 | 0.8534 | 1.4204 | 0.7744 | 1.1509 | 0.9985 | 1.3788 | 0.9179 | 0.739 | 1.0015 | 0.8104 | 0.823 | 1.0267 | 1.2042 | 0.908 | 1.1322 | 0.8352 | 0.6665 |
guanosine 2'-monophosphate (2'-GMP)* | Nucleotide | Purine Metabolism, Guanine containing | 52442 | LC/MS Neg | 100002733 | 1150 | 362.05116 | 444571 | 392466 | 0.6392 | 0.9669 | 1.0331 | 1.142 | 1.396 | 0.9204 | 1.1608 | 1.0877 | 1.2991 | 1.9002 | 0.897 | 0.8218 | 1.222 | 1.809 | 0.809 | 0.6629 | 1.1336 | 1.5844 | 0.4457 | 0.7835 | 0.8851 | 0.3406 | 1.2099 | 0.8624 | 1.8348 | 1.4898 | 1.1253 | 0.8199 | 0.7286 | 0.7189 | 0.8016 | 4.8026 | 0.8592 | 10.3815 | 1.068 | 0.8797 | |||
guanosine 3'-monophosphate (3'-GMP) | Nucleotide | Purine Metabolism, Guanine containing | 39786 | LC/MS Neg | 100002704 | 773.9 | 362.05072 | 117-68-0 | 3522 | 3402 | 1.1447 | 0.7543 | 0.5646 | 1.1469 | 1.271 | 0.795 | 1.6587 | 1.3631 | 1.0332 | 1.1158 | 0.8503 | 0.6597 | 1.0074 | 0.7354 | 1.1205 | 1.4947 | 0.6132 | 0.9408 | 0.4751 | 0.4909 | 0.9926 | 0.3947 | 0.7811 | 1.5628 | 2.7369 | 1.6045 | 0.3064 | 0.9533 | 1.0981 | 0.7897 | 1.3795 | 1.0841 | 0.7469 | 1.1048 | 0.9274 | 1.1403 | ||
guanosine 5'- monophosphate (5'-GMP) | Nucleotide | Purine Metabolism, Guanine containing | 2849 | LC/MS Pos Early | 347 | 800 | 364.06528 | 5550-12-09T0:0:0+0000 | 6804 | 741 | C00144 | HMDB01397 | 0.5099 | 0.735 | 0.8542 | 1.1537 | 1.0484 | 1.4537 | 1.0048 | 1.3885 | 0.9014 | 1.1037 | 1.3234 | 0.8052 | 1.0794 | 0.5904 | 0.9952 | 0.8199 | 0.6799 | 0.9697 | 0.8314 | 1.3651 | 1.943 | 1.3577 | 1.7113 | 1.1624 | 1.081 | 0.803 | 0.5666 | 1.0932 | 1.5866 | 1.7341 | 1.6981 | 0.6981 | 0.9218 | 0.5431 | 0.5437 | 0.8748 |
gulonate* | Cofactors and Vitamins | Ascorbate and Aldarate Metabolism | 46957 | LC/MS Polar | 100001586 | 2750 | 195.05102 | 20246-53-1 | 9794176 | 7969943 | C00257 | HMDB03290 | 0.7128 | 1.0991 | 0.8615 | 1.0627 | 0.9063 | 0.7342 | 1 | 0.8979 | 0.975 | 1.3764 | 1.15 | 0.773 | 1.023 | 0.8838 | 0.8221 | 1 | 0.8719 | 0.5997 | 0.4056 | 0.7279 | 1.2335 | 0.7332 | 0.6231 | 1.4077 | 1.6752 | 1.5268 | 1.0313 | 0.4347 | 1.0106 | 1.7392 | 1.0294 | 1.0408 | 2.1923 | 0.8816 | 1.8792 | 1.497 |
heme | Cofactors and Vitamins | Hemoglobin and Porphyrin Metabolism | 41754 | LC/MS Pos Late | 100001386 | 1124 | 616.1762 | 14875-96-8 | 26945 | C00032 | HMDB03178 | 5.0205 | 0.1797 | 0.1797 | 0.2375 | 1.1042 | 0.8338 | 10.6628 | 0.9068 | 1.5917 | 4.1603 | 1.2937 | 1.5105 | 1.4568 | 0.3739 | 1.4481 | 0.1797 | 0.1797 | 0.996 | 0.9839 | 1.2411 | 0.5659 | 0.1797 | 0.7497 | 0.3941 | 1.4672 | 1.7115 | 0.1797 | 3.3137 | 0.1797 | 0.1797 | 0.1797 | 0.1797 | 0.2875 | 0.2991 | 0.8238 | 1 | |
heneicosapentaenoate (21:5n3) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 57658 | LC/MS Neg | 100015797 | 5514 | 315.23295 | 24257-10-1 | 11998573 | 10171040 | 0.8992 | 0.7119 | 0.9056 | 0.8441 | 0.682 | 1.0363 | 1.1539 | 0.6759 | 0.815 | 1.682 | 1.7008 | 1.4295 | 2.2829 | 1.2061 | 1.4372 | 0.8582 | 0.7065 | 1.4718 | 0.5855 | 0.6143 | 0.8126 | 0.4967 | 0.7273 | 1.9596 | 1.4257 | 1.395 | 1.0731 | 1.1542 | 0.9384 | 0.5766 | 0.9346 | 1.5896 | 0.9851 | 1.0149 | 1.5034 | 1.1406 | ||
heptadecasphingosine (d17:1) | Lipid | Sphingosines | 57427 | LC/MS Pos Late | 100015724 | 1377 | 286.27406 | 6918-48-5 | 5283557 | 4446670 | 1.0951 | 1.0213 | 1.4082 | 1.4493 | 1.3205 | 0.845 | 1.4143 | 1.0606 | 1.4607 | 1.5976 | 0.8747 | 0.9529 | 1.5374 | 0.9475 | 1.0574 | 1.1593 | 1.1092 | 0.969 | 0.3704 | 0.6946 | 0.824 | 0.5399 | 0.4863 | 0.8081 | 1.1228 | 1.3925 | 1.3623 | 0.9518 | 0.4131 | 0.6639 | 0.8136 | 1.0182 | 0.9818 | 0.9392 | 1.1816 | 0.9682 | ||
heptadecatrienoate (17:3)* | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 62383 | LC/MS Neg | 100020715 | 5390 | 263.20165 | 16061034 | 17220717 | C16344 | 0.6076 | 0.8133 | 0.9087 | 0.8747 | 0.7191 | 1.0635 | 1.3327 | 0.7904 | 0.7696 | 1.577 | 1.8278 | 1.256 | 1.5361 | 1.0012 | 0.9789 | 1.075 | 0.7786 | 1.1161 | 0.5567 | 0.9988 | 1.4148 | 0.6317 | 0.8341 | 1.3506 | 1.6687 | 1.2043 | 1.0346 | 1.1639 | 0.9091 | 0.8518 | 0.9046 | 1.0148 | 0.9709 | 0.82 | 1.1149 | 1.024 | ||
heptanoate (7:0) | Lipid | Medium Chain Fatty Acid | 1644 | LC/MS Neg | 925 | 3670 | 129.0921 | 111-14-8 | 8094 | 7803 | C17714 | HMDB00666 | 1.3365 | 1.1723 | 0.825 | 0.8357 | 0.795 | 0.6162 | 0.7761 | 0.7319 | 1.286 | 1.0214 | 1.1209 | 0.8067 | 0.6465 | 0.781 | 0.9565 | 1.0402 | 2.425 | 1.0064 | 1.4571 | 0.8795 | 0.9931 | 0.8637 | 0.9936 | 1.5851 | 1.1278 | 1.0756 | 1.0069 | 1.0826 | 0.8433 | 0.8557 | 0.8856 | 0.947 | 1.1519 | 1.1758 | 1.3129 | 1.1109 |
hexadecadienoate (16:2n6) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 57652 | LC/MS Neg | 100009394 | 5398 | 251.20165 | 28290-73-5 | 13628094 | HMDB00477 | 0.7016 | 0.7668 | 0.9669 | 0.9023 | 0.7773 | 1.0248 | 1.5289 | 0.7609 | 0.756 | 1.7896 | 2.1078 | 1.2153 | 1.6742 | 1.0658 | 1.1429 | 1.1116 | 0.776 | 1.1162 | 0.5523 | 0.8622 | 1.4022 | 0.549 | 0.7551 | 1.3502 | 1.759 | 1.2616 | 1.0607 | 1.0815 | 0.9156 | 0.7765 | 0.8724 | 1.0418 | 0.9229 | 0.9223 | 1.0921 | 0.9752 | ||
hexadecasphingosine (d16:1)* | Lipid | Sphingosines | 57428 | LC/MS Pos Late | 100015723 | 1289 | 272.25841 | 28533427 | 1.1244 | 1.0986 | 1.5822 | 1.3768 | 1.2334 | 0.9513 | 1.3993 | 1.19 | 1.2592 | 1.5479 | 0.8788 | 0.9444 | 1.496 | 1.0043 | 0.8235 | 0.8472 | 1.0751 | 0.8646 | 0.4231 | 0.7212 | 1.0331 | 0.5803 | 0.5989 | 0.7642 | 1.0668 | 1.3401 | 1.7853 | 0.9896 | 0.5694 | 0.6819 | 0.7869 | 1.1195 | 0.9957 | 0.9772 | 1.2022 | 0.7958 | ||||
hexadecatrienoate (16:3n3) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 57651 | LC/MS Neg | 100009393 | 5330 | 249.186 | 7561-64-0 | 5312428 | 4471853 | 0.7029 | 0.759 | 1.0314 | 0.9378 | 0.8238 | 1.1095 | 1.6359 | 0.8483 | 0.757 | 1.6161 | 2.4866 | 1.2737 | 1.6117 | 1.0906 | 1.1396 | 1.266 | 0.8009 | 1.0718 | 0.5656 | 0.9686 | 1.7107 | 0.6126 | 0.8557 | 1.2916 | 1.8704 | 1.2255 | 1.1372 | 1.0579 | 0.9062 | 0.8225 | 0.8917 | 0.8724 | 0.9043 | 0.9268 | 1.0521 | 0.9543 | ||
hexadecenedioate (C16:1-DC)* | Lipid | Fatty Acid, Dicarboxylate | 61862 | LC/MS Neg | 100019975 | 4380 | 283.19148 | 0.49 | 0.49 | 0.49 | 0.9794 | 1.334 | 0.5381 | 1.4566 | 0.49 | 0.9047 | 1.4342 | 1.534 | 0.49 | 1.0378 | 0.49 | 0.49 | 1.0206 | 0.9656 | 0.8875 | 0.49 | 0.49 | 1.426 | 0.49 | 1.1239 | 0.8183 | 0.9496 | 0.9521 | 1.2053 | 1.3521 | 0.49 | 0.49 | 0.4916 | 0.7793 | 1.442 | 0.5657 | 1.1901 | 0.49 | |||||
histidine | Amino Acid | Histidine Metabolism | 59 | LC/MS Neg | 355 | 755.9 | 154.0622 | 5934-29-2 | 6274 | 752 | C00135 | HMDB00177 | 0.809 | 0.9563 | 0.8954 | 1.2069 | 1.0903 | 0.8538 | 1.4369 | 1.2191 | 0.8493 | 1.374 | 1.2114 | 0.9934 | 1.2133 | 0.7829 | 1.0731 | 0.9378 | 1.0162 | 1.0987 | 0.4143 | 0.8248 | 1.1145 | 1.0066 | 0.7754 | 0.9343 | 1.3968 | 1.3165 | 0.9307 | 1.1528 | 0.969 | 0.7656 | 1.0847 | 0.6005 | 1.116 | 0.3791 | 1.0385 | 0.8604 |
homocitrulline | Amino Acid | Urea cycle; Arginine and Proline Metabolism | 22138 | LC/MS Pos Early | 100000963 | 1908 | 190.11862 | 1190-49-4 | 65072 | 58582 | C02427 | HMDB00679 | 0.6289 | 0.8427 | 0.7034 | 0.9486 | 1.2431 | 1.0556 | 0.1423 | 0.6135 | 0.4917 | 0.3132 | 1.2549 | 0.7923 | 0.1423 | 0.721 | 1.0644 | 0.7523 | 0.3138 | 0.6354 | 2.6838 | 1.0345 | 1.0678 | 1.722 | 1.4944 | 1.242 | 1.0682 | 1.8072 | 0.8386 | 0.7851 | 1.5187 | 2.3935 | 0.8739 | 0.4541 | 1.1971 | 1.8541 | 1 | 1.8371 |
homogentisate | Amino Acid | Tyrosine Metabolism | 521 | LC/MS Neg | 236 | 1344 | 167.03498 | 306-08-1;451-13-8 | 780 | 759 | C00544 | HMDB00130 | 0.0257 | 1.231 | 2.7775 | 1.3809 | 1.0071 | 0.2738 | 0.0257 | 1.0084 | 0.723 | 0.0257 | 0.1114 | 0.2223 | 0.0459 | 0.8092 | 0.4261 | 0.9949 | 2.2725 | 1.3039 | 0.2022 | 0.7475 | 1.2429 | 0.5965 | 0.7507 | 1.0704 | 0.3812 | 0.687 | 2.1475 | 0.4653 | 1.5513 | 1.0051 | 1.291 | 1.1651 | 1.6619 | 1.933 | 1.6201 | 0.5603 |
hydantoin-5-propionate | Amino Acid | Histidine Metabolism | 40473 | LC/MS Polar | 100002514 | 2080 | 171.04113 | 5624-26-0 | 782 | 761 | C05565 | HMDB01212 | 0.8841 | 0.2399 | 0.2399 | 0.2399 | 0.9848 | 0.2399 | 2.5788 | 1.6476 | 1.9769 | 1 | 0.2399 | 0.2399 | 3.2253 | 0.2399 | 3.8557 | 0.627 | 9.0481 | 7.7202 | 0.2399 | 0.2399 | 0.4947 | 0.2399 | 0.2399 | 0.3331 | 1.0537 | 0.9888 | 0.3957 | 0.7631 | 0.2399 | 0.2399 | 0.2399 | 13.6344 | 0.5432 | 0.2399 | 1.0218 | 0.2399 |
hypotaurine | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 590 | LC/MS Pos Early | 358 | 724 | 110.02703 | 300-84-5 | 107812 | 96959 | C00519 | HMDB00965 | 0.57 | 3.0025 | 10.2384 | 0.4908 | 4.4234 | 0.2357 | 0.5771 | 0.5434 | 0.663 | 5.1446 | 0.5275 | 3.5128 | 5.0522 | 1.6909 | 1.4156 | 3.283 | 5.3773 | 0.2623 | 0.4508 | 1.8831 | 3.8357 | 0.5429 | 0.7491 | 6.78 | 1.0556 | 0.8495 | 7.7481 | 0.3198 | 4.9167 | 2.6137 | 0.3381 | 0.9444 | 0.3075 | 6.7454 | 0.3746 | 0.3324 |
hypoxanthine | Nucleotide | Purine Metabolism, (Hypo)Xanthine/Inosine containing | 3127 | LC/MS Neg | 171 | 1291.2 | 135.03123 | 68-94-0 | 790 | 768 | C00262 | HMDB00157 | 1.4359 | 1.1439 | 1.0832 | 0.9253 | 1.0386 | 0.6253 | 0.9213 | 0.7026 | 1.1424 | 1.2241 | 1.1401 | 0.986 | 0.7822 | 0.9653 | 0.8538 | 1.3071 | 1.1014 | 0.7911 | 0.7385 | 0.6922 | 0.6331 | 0.7221 | 0.6172 | 1.014 | 1.2433 | 1.5741 | 1.4763 | 0.9103 | 0.8571 | 0.8582 | 0.8602 | 1.0651 | 1.437 | 1.5856 | 1.614 | 1.2856 |
imidazole lactate | Amino Acid | Histidine Metabolism | 15716 | LC/MS Pos Early | 100000263 | 2040 | 157.06077 | 14403-45-3 | 440129 | 389128 | C05568 | HMDB02320 | 0.7115 | 1.5123 | 1.1031 | 0.3853 | 0.5115 | 1.0828 | 0.368 | 1.5311 | 0.8721 | 0.4792 | 0.613 | 1.1602 | 0.368 | 0.7177 | 0.8413 | 1.0641 | 0.5583 | 0.6964 | 1.519 | 0.368 | 1.3246 | 1.2303 | 1.693 | 1.1174 | 0.8756 | 1.2614 | 1.5405 | 0.9359 | 1.1753 | 1.3142 | 0.7854 | 0.6711 | 0.4313 | 1.6349 | 2.0174 | 0.558 |
imidazole propionate | Amino Acid | Histidine Metabolism | 40730 | LC/MS Pos Early | 100003434 | 2263 | 141.06586 | 1074-59-5 | 70630 | 63798 | HMDB02271 | 0.7021 | 1.3198 | 0.315 | 0.7694 | 1.0613 | 1.4057 | 0.3594 | 0.8262 | 0.4274 | 0.5545 | 1.2897 | 0.9777 | 0.4179 | 0.4058 | 1.215 | 1.0353 | 0.5042 | 0.7188 | 1.592 | 0.9548 | 1.0463 | 1.4798 | 0.8258 | 1.0241 | 0.9823 | 1.5739 | 1.0177 | 0.5048 | 0.4727 | 2.5104 | 1.5617 | 0.6816 | 1.0826 | 1.4301 | 1.0428 | 2.3337 | |
indole-3-carboxylate | Amino Acid | Tryptophan Metabolism | 38116 | LC/MS Neg | 100002185 | 1710 | 160.0404 | 771-50-6 | 69867 | C19837 | HMDB03320 | 0.7539 | 0.9597 | 0.7837 | 1.2176 | 0.5832 | 0.8306 | 1 | 0.818 | 0.783 | 1.0556 | 0.6427 | 0.7483 | 1.0244 | 1.1177 | 1.0507 | 0.833 | 0.5832 | 1.056 | 0.5832 | 0.7983 | 0.5832 | 0.5832 | 0.6002 | 0.9792 | 1.8918 | 2.4472 | 2.3313 | 0.5832 | 1.0299 | 0.7273 | 1.0216 | 0.9229 | 2.1707 | 1.8898 | 1.9828 | 1.0294 | |
indolelactate | Amino Acid | Tryptophan Metabolism | 18349 | LC/MS Neg | 100000463 | 2286 | 204.06661 | 832-97-3 | 92904 | 83867 | C02043 | HMDB00671 | 1.3012 | 0.558 | 0.4464 | 0.4464 | 0.4464 | 0.6678 | 1.2316 | 2.5415 | 1.2912 | 0.7522 | 0.5519 | 0.5969 | 0.4885 | 0.661 | 0.8264 | 2.1467 | 1.3516 | 0.6784 | 0.4464 | 0.4464 | 0.5149 | 0.4609 | 1.0171 | 1.8705 | 1.8822 | 0.8542 | 0.746 | 0.9829 | 1.1049 | 0.8353 | 1.3045 | 2.4655 | 2.3912 | 1.5011 | 1.4661 | 1.4862 |
inosine | Nucleotide | Purine Metabolism, (Hypo)Xanthine/Inosine containing | 1123 | LC/MS Neg | 361 | 1602.1 | 267.07349 | 58-63-9 | 6021 | 21241953 | C00294 | HMDB00195 | 0.6266 | 0.9605 | 1.1291 | 0.9421 | 0.9069 | 0.9867 | 1.2192 | 0.8974 | 0.7037 | 1.0905 | 1.0779 | 0.9611 | 1.0233 | 1.1434 | 1.0373 | 1.0742 | 0.9989 | 1.2806 | 0.7442 | 1.0581 | 1.3285 | 0.937 | 1.0236 | 1.0708 | 1.2912 | 0.9656 | 0.8347 | 0.9346 | 0.9795 | 1.0671 | 1.0011 | 0.8479 | 1.0375 | 0.9392 | 1.1181 | 0.9591 |
inosine 5'-monophosphate (IMP) | Nucleotide | Purine Metabolism, (Hypo)Xanthine/Inosine containing | 2133 | LC/MS Pos Early | 362 | 650 | 349.05438 | 4691-65-0 | 8582 | 5482599 | C00130 | HMDB00175 | 0.0687 | 0.6427 | 0.6989 | 0.9827 | 0.9424 | 1.5101 | 1.0173 | 1.6799 | 0.5123 | 1.3053 | 1.7134 | 0.6637 | 1.2822 | 0.3624 | 0.8556 | 0.3602 | 0.623 | 1.0179 | 1.4279 | 2.0935 | 2.8807 | 3.0069 | 3.0385 | 1.1528 | 0.2462 | 0.4679 | 0.6629 | 1.1469 | 2.0472 | 2.5029 | 2.6847 | 0.5927 | 1.089 | 0.1215 | 0.2356 | 0.7535 |
inositol 1-phosphate (I1P) | Lipid | Inositol Metabolism | 43849 | LC/MS Polar | 370 | 4785 | 259.02244 | 573-35-3;106032-59-1 | 440194 | 17215924 | C01177 | HMDB00213 | 1.0446 | 0.9446 | 0.938 | 1.2298 | 1.3825 | 1.0097 | 1.6166 | 0.9577 | 0.9276 | 1.8246 | 1.4624 | 0.689 | 1.5045 | 0.9269 | 0.9465 | 0.996 | 0.7801 | 1.6768 | 0.6392 | 0.5768 | 1.0013 | 0.8027 | 0.8911 | 1.1403 | 1.704 | 1.7712 | 0.8056 | 0.5955 | 0.8942 | 0.9321 | 1.0073 | 1.5868 | 0.9987 | 2.751 | 1.1022 | 1.2122 |
isoleucine | Amino Acid | Leucine, Isoleucine and Valine Metabolism | 1125 | LC/MS Pos Early | 376 | 2800 | 132.10191 | 73-32-5 | 6306 | 769 | C00407 | HMDB00172 | 0.8939 | 0.9879 | 0.9606 | 1.0979 | 1.1709 | 0.9409 | 1.1834 | 1.1114 | 0.9231 | 1.1892 | 1.1255 | 0.8671 | 1.0374 | 0.9384 | 1.0326 | 0.9945 | 0.9992 | 1.2115 | 0.6278 | 0.9251 | 1.0808 | 0.8632 | 0.9531 | 1.0264 | 1.2314 | 1.1769 | 1.0529 | 1.0546 | 0.8716 | 0.8862 | 0.9778 | 1.0351 | 1.0168 | 0.9276 | 1.0008 | 0.942 |
isoleucylglycine | Peptide | Dipeptide | 40008 | LC/MS Pos Early | 100003169 | 2719 | 189.12337 | 868-28-0 | 342532 | 303621 | HMDB28907 | 0.6532 | 0.9734 | 0.8816 | 1.7941 | 1.7874 | 0.976 | 3.0283 | 1.8313 | 0.82 | 2.1056 | 1.4831 | 0.9146 | 1.9377 | 0.9048 | 1.324 | 1.3017 | 0.919 | 1.3249 | 0.1379 | 0.9035 | 1.8772 | 0.7016 | 0.6265 | 1.3759 | 2.518 | 1.7083 | 0.6459 | 1.4754 | 1.0809 | 1.007 | 0.993 | 0.8384 | 0.8443 | 0.5575 | 1.0747 | 0.9067 | |
isovalerate (i5:0) | Amino Acid | Leucine, Isoleucine and Valine Metabolism | 44656 | LC/MS Neg | 100000708 | 1564 | 101.0608 | 503-74-2 | 10430 | 10001 | C08262 | HMDB00718 | 0.5839 | 0.6286 | 1.4748 | 0.5839 | 0.5839 | 0.5839 | 0.5839 | 0.9047 | 1.3777 | 0.5839 | 0.5839 | 0.5839 | 1.1309 | 0.8257 | 0.7315 | 0.5839 | 0.5839 | 0.5839 | 0.5839 | 0.5839 | 0.8421 | 0.93 | 0.5839 | 0.9831 | 1.1213 | 1.2701 | 1.3372 | 0.5839 | 0.5839 | 0.5839 | 0.9851 | 0.9137 | 1.2682 | 1.1784 | 1.4638 | 1.0149 |
isovalerylcarnitine (C5) | Amino Acid | Leucine, Isoleucine and Valine Metabolism | 34407 | LC/MS Pos Early | 100001393 | 3085 | 246.16999 | 31023-24-2 | 6426851 | 4932271 | HMDB00688 | 0.4744 | 0.7718 | 1.3388 | 0.3694 | 1.0571 | 0.3694 | 1.4607 | 0.3694 | 0.8425 | 0.3694 | 1.4846 | 0.3694 | 0.3694 | 0.3694 | 1.0922 | 0.647 | 0.3694 | 1.4805 | 1.4877 | 1.2126 | 0.3694 | 1.7503 | 1.0964 | 0.6383 | 1 | 0.3694 | 0.8541 | 0.3694 | 0.3694 | 0.6629 | 0.6436 | 2.482 | 0.528 | 0.825 | 0.5409 | 1.1067 | |
isovalerylglycine | Amino Acid | Leucine, Isoleucine and Valine Metabolism | 35107 | LC/MS Neg | 100001452 | 1950 | 158.08226 | 16284-60-9 | 546304 | 475516 | HMDB00678 | 1.2154 | 0.3368 | 0.8947 | 0.3368 | 0.598 | 0.7011 | 0.3368 | 1.188 | 0.9747 | 1.308 | 0.3368 | 0.8894 | 0.3368 | 0.3368 | 1.491 | 1.0775 | 0.7306 | 0.7613 | 0.8995 | 1.0546 | 0.741 | 0.3368 | 1.109 | 0.3368 | 1.2392 | 1.3632 | 0.3368 | 0.7748 | 1.0258 | 0.3368 | 0.8065 | 0.3368 | 1.01 | 1.168 | 1.0205 | 0.99 | |
kynurenate | Amino Acid | Tryptophan Metabolism | 1417 | LC/MS Neg | 98 | 2224 | 188.03531 | 492-27-3 | 3845 | 3712 | C01717 | HMDB00715 | 1.1664 | 0.8488 | 0.57 | 0.7124 | 1.4151 | 1.0124 | 1.2623 | 0.8181 | 1.4764 | 1.2192 | 0.6323 | 0.8393 | 0.9153 | 0.9057 | 0.7566 | 0.7492 | 0.8531 | 0.8279 | 0.6899 | 0.9876 | 0.6014 | 0.6482 | 1.2199 | 1.6417 | 1.097 | 1.6725 | 1.9476 | 1.3997 | 1.1051 | 0.5065 | 1.403 | 1.9536 | 1.3599 | 0.9028 | 1.4155 | 1.6608 |
kynurenine | Amino Acid | Tryptophan Metabolism | 15140 | LC/MS Pos Early | 100000265 | 2739 | 209.09207 | 2922-83-0 | 161166 | 141580 | C00328 | HMDB00684 | 0.8492 | 0.8245 | 0.6735 | 0.9197 | 1.5465 | 0.868 | 1.1494 | 0.9616 | 1.0588 | 1.2784 | 0.7717 | 0.7001 | 0.6783 | 0.8059 | 0.6697 | 0.7145 | 1.0052 | 1.1836 | 0.3212 | 0.8943 | 1.1178 | 0.5357 | 0.9991 | 1.068 | 1.0727 | 1.4374 | 1.8795 | 1.4028 | 0.9668 | 0.5229 | 1.0009 | 1.4485 | 1.4749 | 1.4102 | 1.1933 | 1.0855 |
lactate | Carbohydrate | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | 527 | LC/MS Polar | 482 | 1468.8 | 89.02442 | 79-33-4 | 612 | 592 | C00186 | HMDB00190 | 0.5524 | 0.7247 | 0.9742 | 0.812 | 0.7841 | 1.106 | 0.5807 | 0.7857 | 0.5831 | 0.9943 | 0.7105 | 0.8175 | 1.1949 | 0.6479 | 0.8119 | 0.8908 | 0.5788 | 1.0057 | 0.7047 | 0.9513 | 1.0464 | 1.1393 | 1.1022 | 1.2367 | 1.1724 | 1.1356 | 1.5305 | 1.0204 | 0.8177 | 1.5274 | 1.0781 | 1.6521 | 1.2976 | 1.137 | 1.0112 | 1.4652 |
lanthionine | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 42002 | LC/MS Pos Early | 100003892 | 1730 | 209.05906 | 3183-08-02T0:0:0+0000 | 98504 | 88959 | 0.2248 | 1.2431 | 0.5576 | 1.2445 | 0.9119 | 1.2197 | 0.146 | 0.3436 | 0.3464 | 0.3724 | 1.8363 | 1.7138 | 0.1835 | 0.2016 | 1.5413 | 0.897 | 0.146 | 0.4837 | 0.4655 | 0.6323 | 1.5323 | 1.0865 | 0.6603 | 2.0051 | 2.7939 | 2.4641 | 1.1399 | 0.146 | 1.3262 | 1.8694 | 0.8401 | 0.4349 | 0.9135 | 1.974 | 2.1841 | 2.5633 | ||
leucine | Amino Acid | Leucine, Isoleucine and Valine Metabolism | 60 | LC/MS Pos Early | 397 | 2864 | 132.10191 | 61-90-5 | 6106 | 5880 | C00123 | HMDB00687 | 0.8246 | 0.9825 | 0.9365 | 1.1472 | 1.2269 | 0.9104 | 1.354 | 1.166 | 0.9186 | 1.365 | 1.1784 | 0.8558 | 1.0841 | 0.9392 | 1.0171 | 0.9722 | 1.0116 | 1.1945 | 0.5027 | 0.8625 | 1.1483 | 0.8859 | 0.9128 | 1.0029 | 1.3856 | 1.2546 | 1.0592 | 1.1227 | 0.9096 | 0.8268 | 0.9971 | 1.0758 | 1.0631 | 0.8477 | 0.9698 | 0.8972 |
leucylglutamine* | Peptide | Dipeptide | 53061 | LC/MS Neg | 100003183 | 1965 | 258.14593 | 4305457 | 3511125 | HMDB28927 | 0.3217 | 0.3217 | 0.3217 | 0.7871 | 0.9682 | 0.3217 | 2.653 | 1.0636 | 0.3217 | 1.3981 | 1.2403 | 0.6521 | 1.5659 | 0.3217 | 0.6224 | 0.8007 | 0.475 | 0.3217 | 0.3217 | 0.3217 | 1.5433 | 0.3217 | 0.3217 | 1.077 | 1.579 | 1.1343 | 0.3217 | 0.3217 | 0.3217 | 0.3217 | 0.6206 | 0.3217 | 0.3217 | 0.3217 | 1 | 0.463 | ||
leucylglycine | Peptide | Dipeptide | 40045 | LC/MS Pos Early | 100003185 | 2778 | 189.12337 | 686-50-0 | 79070 | 71402 | HMDB28929 | 0.6144 | 0.682 | 0.8115 | 1.4552 | 2.0084 | 1.1343 | 3.068 | 0.9788 | 0.6297 | 2.5098 | 2.1764 | 1.1579 | 2.8562 | 1.1612 | 1.0212 | 1.1197 | 0.551 | 0.7623 | 0.2012 | 1.0634 | 2.1222 | 0.511 | 0.5193 | 0.9244 | 3.6156 | 1.85 | 0.5591 | 1.2081 | 1.5557 | 0.8401 | 0.6096 | 0.3711 | 0.4779 | 0.4497 | 1.5656 | 0.7259 | |
lignoceroyl sphingomyelin (d18:1/24:0) | Lipid | Sphingomyelins | 57330 | LC/MS Pos Late | 100006298 | 3437 | 815.70006 | 60037-60-7 | 24846875 | 0.4378 | 0.3649 | 1.019 | 2.9735 | 0.8184 | 2.172 | 1.0075 | 0.6727 | 0.6707 | 1.0058 | 1.5469 | 1.1256 | 0.6967 | 0.6675 | 1.005 | 0.8248 | 0.8336 | 1.4131 | 1.7494 | 1.9511 | 1.0435 | 5.9481 | 1.3569 | 0.7218 | 1.0336 | 1.0763 | 0.995 | 0.4629 | 0.702 | 0.989 | 0.7086 | 0.7362 | 0.7545 | 1.0923 | 0.9092 | 1.0873 | |||
linoleate (18:2n6) | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 1105 | LC/MS Neg | 180 | 5535 | 279.23295 | 60-33-3 | 5280450 | 4444105 | C01595 | HMDB00673 | 0.7534 | 0.6983 | 0.9762 | 0.8021 | 0.7626 | 1.0501 | 1.2013 | 0.6805 | 0.8211 | 1.5468 | 1.314 | 1.2739 | 1.7591 | 1.0791 | 1.2049 | 0.8376 | 0.7378 | 1.321 | 0.5686 | 0.6517 | 0.8449 | 0.5407 | 0.6922 | 1.5679 | 1.2309 | 1.2062 | 1.0263 | 1.2388 | 0.9241 | 0.6128 | 0.9369 | 1.4291 | 1.0011 | 0.9989 | 1.3806 | 1.1077 |
linolenate [alpha or gamma; (18:3n3 or 6)] | Lipid | Long Chain Polyunsaturated Fatty Acid (n3 and n6) | 34035 | LC/MS Neg | 100001337 | 5450 | 277.2173 | 5280934 | 4444437 | C06426 | HMDB03073 | 0.7002 | 0.7659 | 0.8917 | 0.8685 | 0.7667 | 1.0121 | 1.224 | 0.7594 | 0.7537 | 1.3423 | 1.364 | 1.1433 | 1.3209 | 1.0283 | 1.0662 | 0.9085 | 0.7546 | 1.1492 | 0.5651 | 0.8307 | 1.127 | 0.6088 | 0.7646 | 1.2998 | 1.2013 | 1.0796 | 1.0182 | 1.179 | 0.9879 | 0.8306 | 0.9535 | 1.1053 | 0.9059 | 0.8778 | 1.1555 | 1.0604 | |
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]* | Lipid | Diacylglycerol | 54951 | LC/MS Pos Late | 100010932 | 2229 | 630.50921 | HMDB07278 | 0.1944 | 0.2289 | 0.1944 | 0.1944 | 0.1944 | 0.6339 | 0.1944 | 0.1944 | 0.2978 | 0.1944 | 1.5204 | 0.1944 | 1.0605 | 0.237 | 0.9395 | 0.6828 | 1.5225 | 0.1944 | 0.1944 | 0.1944 | 1.7073 | 0.1944 | 0.1944 | 1.1822 | 2.2873 | 1.1426 | 0.1944 | 1.8759 | 1.3363 | 0.8844 | 0.7674 | 0.1944 | 0.4049 | 0.1944 | 1.0715 | 0.1944 | ||||
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]* | Lipid | Diacylglycerol | 54952 | LC/MS Pos Late | 100010933 | 2268 | 630.50921 | HMDB07278 | 0.5359 | 0.8764 | 0.8401 | 0.9191 | 0.6077 | 1.0459 | 0.7042 | 0.7624 | 0.944 | 1.2991 | 0.7503 | 1.0453 | 1.6603 | 1.0753 | 0.8856 | 1.0056 | 1.2236 | 0.8757 | 0.6374 | 1.1859 | 1.5855 | 0.7863 | 0.9944 | 1.1053 | 2.2004 | 1.0933 | 1.0853 | 0.9903 | 1.3593 | 1.0723 | 0.9348 | 1.3676 | 1.1501 | 0.9028 | 1.1679 | 0.9455 | ||||
linoleoyl ethanolamide | Lipid | Endocannabinoid | 52608 | LC/MS Neg | 100006726 | 6150 | 322.27515 | 68171-52-8 | 5283446 | 4446566 | HMDB12252 | 1.5449 | 0.3384 | 0.3384 | 0.3384 | 0.5993 | 0.598 | 1.5434 | 0.7207 | 0.7834 | 1.5157 | 0.3384 | 0.3384 | 1.6648 | 1.1522 | 1.5505 | 0.3384 | 0.3384 | 28.5576 | 0.3384 | 0.3384 | 0.3384 | 0.3384 | 0.4352 | 1.2182 | 0.3384 | 0.997 | 1.1222 | 0.3384 | 0.3384 | 0.3384 | 0.5759 | 0.3384 | 0.3384 | 0.815 | 1 | 0.3384 | |
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* | Lipid | Diacylglycerol | 54949 | LC/MS Pos Late | 100010928 | 2450 | 682.54051 | 0.9539 | 0.8081 | 1.1638 | 0.8825 | 0.7858 | 1.2157 | 1.5541 | 0.8697 | 0.7981 | 1.5318 | 1.3955 | 0.8707 | 1.8069 | 0.8788 | 0.9633 | 0.9197 | 1.2544 | 1.2142 | 0.6494 | 1.1102 | 1.8049 | 0.6259 | 0.8112 | 0.9916 | 1.7208 | 1.0957 | 1.2412 | 1.393 | 1.0084 | 0.7917 | 1.0335 | 1.0632 | 0.9685 | 0.7602 | 1.0894 | 0.674 | |||||
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]* | Lipid | Diacylglycerol | 54950 | LC/MS Pos Late | 100010929 | 2500 | 682.54051 | HMDB07266 | 0.7528 | 0.8034 | 1.0353 | 0.968 | 0.8519 | 1.1238 | 1.3685 | 0.998 | 1.002 | 1.4494 | 1.3905 | 0.9837 | 1.3458 | 0.9539 | 0.9379 | 0.8724 | 1.2579 | 0.9729 | 0.7035 | 1.0156 | 1.2815 | 0.7193 | 0.9076 | 0.9975 | 1.279 | 1.0068 | 1.0043 | 1.3452 | 0.9929 | 0.6464 | 1.0405 | 1.166 | 1.1489 | 0.8323 | 1.2723 | 0.7524 | ||||
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* | Lipid | Diacylglycerol | 54964 | LC/MS Pos Late | 100010927 | 2478 | 632.52486 | HMDB07250 | 0.3837 | 0.3837 | 0.5927 | 0.745 | 0.3949 | 0.9051 | 1.8725 | 0.9236 | 0.8646 | 2.0198 | 1.0717 | 0.8462 | 1.1155 | 1.3649 | 0.8757 | 0.614 | 1.2052 | 1.0501 | 0.3837 | 1.2189 | 1 | 0.4328 | 0.4772 | 1.3155 | 2.2592 | 1.124 | 0.9191 | 1.6375 | 1.0365 | 0.693 | 0.3837 | 1.2715 | 1.3139 | 0.8313 | 1.0514 | 0.8021 | ||||
lysine | Amino Acid | Lysine Metabolism | 1301 | LC/MS Pos Early | 407 | 2850 | 147.11281 | 56-87-1 | 5962 | 5747 | C00047 | HMDB00182 | 0.9088 | 0.9325 | 0.964 | 1.0662 | 1.119 | 0.8953 | 1.2159 | 1.0688 | 0.9568 | 1.1487 | 1.0642 | 0.9239 | 1.1023 | 0.9599 | 1.04 | 0.9749 | 1.0211 | 1.1548 | 0.6043 | 0.8747 | 1.013 | 0.836 | 0.9047 | 1.0371 | 1.2271 | 1.1889 | 1.0487 | 0.9818 | 0.9291 | 0.858 | 0.9801 | 1.0549 | 1.0838 | 0.9574 | 1.0588 | 0.987 |
lysylleucine | Peptide | Dipeptide | 40020 | LC/MS Pos Early | 100003196 | 3370 | 260.19687 | 7369-79-1 | 4682588 | 3870665 | HMDB28955 | 0.361 | 0.9933 | 0.8333 | 1.8676 | 2.2641 | 0.9801 | 2.5644 | 1.6311 | 0.8225 | 2.4507 | 2.1337 | 0.8643 | 1.3565 | 1.0456 | 1.1799 | 1.1125 | 0.8284 | 1.075 | 0.0548 | 0.9921 | 2.2832 | 0.6097 | 0.7206 | 1.0266 | 4.0303 | 1.5064 | 0.5278 | 1.6063 | 1.4076 | 0.8094 | 0.9581 | 0.4447 | 0.5372 | 0.1908 | 1.0067 | 0.7201 | |
malate | Energy | TCA Cycle | 1303 | LC/MS Neg | 409 | 615.6 | 133.01425 | 6915-15-7 | 525 | 510 | C00149 | HMDB00156 | 1.1629 | 0.8549 | 0.9772 | 0.9427 | 1.362 | 0.7223 | 1.1929 | 1.0055 | 1.3002 | 1.3169 | 0.8778 | 0.9527 | 1.1621 | 1.1827 | 1.0128 | 0.9467 | 0.9809 | 0.9994 | 0.8213 | 0.8781 | 0.8041 | 0.9056 | 0.7821 | 1.0006 | 1.1233 | 1.1436 | 1.0214 | 1.0969 | 0.948 | 1.2607 | 0.9593 | 1.1967 | 0.9788 | 1.108 | 0.9111 | 1.0966 |
maltohexaose | Carbohydrate | Glycogen Metabolism | 35170 | LC/MS Pos Early | 100001448 | 770 | 991.33479 | 34620-77-4 | 439606 | 4450599 | C01936 | HMDB12253 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 1 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.7021 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 0.3064 | 3.5359 | 0.3064 | 7.599 | 0.3064 | 0.3064 |
maltopentaose | Carbohydrate | Glycogen Metabolism | 35163 | LC/MS Pos Early | 100001447 | 740 | 829.28196 | 34620-76-3 | 13489094 | 2941513 | C06218 | HMDB12254 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.5255 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 1.0417 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.9583 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 0.1913 | 7.9207 | 0.1913 | 10.4891 | 0.1913 | 0.1913 |
maltose | Carbohydrate | Glycogen Metabolism | 15586 | LC/MS Neg | 913 | 765 | 341.10894 | 6363-53-7 | 10991489 | 388469 | C00208 | HMDB00163 | 0.6972 | 0.5618 | 1.1088 | 0.5673 | 0.9653 | 1.1405 | 1.0181 | 1.3479 | 1.6653 | 1.3732 | 0.6248 | 0.3984 | 0.9819 | 3.6368 | 0.6887 | 0.4401 | 1.6367 | 2.1869 | 1.8793 | 0.6644 | 0.64 | 0.5318 | 2.9351 | 0.5296 | 0.4974 | 0.639 | 1.8687 | 0.6066 | 0.5301 | 1.2234 | 0.3982 | 13.6427 | 1.4602 | 8.8612 | 1.2506 | 1.0551 |
maltotetraose | Carbohydrate | Glycogen Metabolism | 15910 | LC/MS Polar | 100000275 | 5000 | 711.22006 | 34612-38-9 | 446495 | 393830 | C02052 | HMDB01296 | 0.2012 | 0.0969 | 0.8299 | 0.0969 | 0.1296 | 0.9068 | 0.5789 | 0.5572 | 4.4704 | 0.9531 | 0.0969 | 0.0969 | 0.0969 | 15.3052 | 0.1557 | 0.0969 | 2.6784 | 1.5724 | 2.0296 | 0.0969 | 0.0969 | 0.3119 | 13.8149 | 0.0969 | 0.0969 | 0.0969 | 1.4184 | 0.0969 | 0.0969 | 1.1299 | 0.0969 | 89.4879 | 1.3694 | 136.791 | 1 | 0.5564 |
maltotriose | Carbohydrate | Glycogen Metabolism | 44688 | LC/MS Polar | 100000276 | 4286.4 | 549.16723 | 1109-28-0 | 439586 | 388669 | C01835 | HMDB01262 | 0.7208 | 0.4593 | 1.5621 | 0.3181 | 0.7254 | 1.6943 | 1.4287 | 1.6249 | 5.7844 | 2.013 | 0.33 | 0.2624 | 0.6862 | 13.8796 | 0.7137 | 0.3213 | 4.007 | 2.9456 | 3.4004 | 0.4373 | 0.3011 | 0.7644 | 12.6416 | 0.3287 | 0.1603 | 0.3221 | 2.3906 | 0.5193 | 0.3334 | 1.9412 | 0.2904 | 55.7023 | 2.4407 | 79.7129 | 1.9079 | 1.2356 |
mannitol/sorbitol | Carbohydrate | Fructose, Mannose and Galactose Metabolism | 46142 | LC/MS Polar | 100001740 | 2320 | 181.07176 | 5780 | 440 | C00794 | HMDB00247 | 0.7588 | 0.8635 | 1.2262 | 0.8273 | 0.9061 | 0.9208 | 0.7676 | 1.2785 | 0.8266 | 1.1501 | 0.9474 | 0.8915 | 1.0144 | 0.8051 | 0.8175 | 0.9545 | 1.2491 | 2.3199 | 0.9305 | 0.9732 | 1.4972 | 1.2343 | 1.0492 | 1.053 | 0.9835 | 0.923 | 1.3788 | 1.4413 | 0.9856 | 1.54 | 0.973 | 1.7429 | 3.1705 | 1.5182 | 1.2602 | 1.2181 | |
mannonate* | Xenobiotics | Food Component/Plant | 62864 | LC/MS Polar | 100003695 | 2736 | 195.05102 | 642-99-9 | 3246006 | 2496757 | 0.9195 | 0.9047 | 0.7813 | 0.8288 | 0.837 | 1.0569 | 0.8591 | 0.6803 | 0.9617 | 0.2533 | 0.9442 | 0.9212 | 0.362 | 1.1224 | 1.0396 | 1.128 | 1.0479 | 1.347 | 1.1337 | 0.9006 | 0.9254 | 1.0401 | 0.7947 | 1.1822 | 1.0205 | 1.2526 | 1.4955 | 0.2323 | 0.9795 | 2.4153 | 1.165 | 0.971 | 1.7432 | 1.4302 | 1.5674 | 1.5947 | ||
mannose | Carbohydrate | Fructose, Mannose and Galactose Metabolism | 584 | LC/MS Polar | 803 | 2200 | 179.05611 | 3458-28-4 | 18950 | 141983 | C00159 | HMDB00169 | 0.9933 | 1.0167 | 0.9366 | 0.923 | 0.7227 | 0.871 | 0.9375 | 0.8055 | 1.0116 | 0.7582 | 1.1109 | 1.0227 | 0.5937 | 0.9941 | 0.9376 | 1.0506 | 0.9801 | 0.7763 | 1.106 | 1.0434 | 0.9181 | 0.9376 | 0.7355 | 1.0059 | 0.913 | 1.1508 | 1.2475 | 0.6073 | 1.0302 | 1.1179 | 1.0555 | 1.1339 | 1.6085 | 1.2952 | 1.1482 | 1.28 |
margarate (17:0) | Lipid | Long Chain Saturated Fatty Acid | 1121 | LC/MS Neg | 891 | 5731 | 269.2486 | 506-12-7 | 10465 | 10033 | HMDB02259 | 0.7833 | 0.7531 | 0.9811 | 0.7991 | 0.7475 | 1.2079 | 1.1386 | 0.743 | 0.8379 | 1.3538 | 1.2257 | 1.248 | 1.889 | 1.0878 | 1.3653 | 0.6772 | 0.6591 | 1.6736 | 0.6712 | 0.6547 | 0.7117 | 0.5923 | 0.8102 | 1.7879 | 1.097 | 1.235 | 1.0703 | 1.2872 | 1.0011 | 0.7571 | 0.9958 | 1.5742 | 0.9989 | 0.9449 | 1.3484 | 1.247 | |
meglumine | Xenobiotics | Chemical | 42638 | LC/MS Pos Early | 100004440 | 1838 | 196.11795 | 6284-40-8 | 4049 | 3909 | 1.2719 | 1.2151 | 1.3213 | 0.9777 | 0.5964 | 1.1478 | 0.5964 | 1 | 0.5964 | 0.5964 | 0.7446 | 0.8803 | 0.5964 | 0.6128 | 0.5964 | 0.936 | 1.0729 | 0.7219 | 0.9941 | 0.7445 | 1.0345 | 1.3825 | 0.9329 | 0.9916 | 1.1058 | 0.5964 | 1.6121 | 1.4961 | 0.9819 | 1.4931 | 0.5964 | 224.9963 | 1.0537 | 0.9417 | 0.6461 | 1.1857 | ||
methionine | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 1302 | LC/MS Pos Early | 415 | 2526 | 150.05833 | 63-68-3 | 6137 | 5907 | C00073 | HMDB00696 | 0.8506 | 0.9941 | 1.0059 | 1.172 | 1.3849 | 0.9248 | 1.4578 | 1.2273 | 0.9324 | 1.4709 | 1.2242 | 0.8109 | 1.1797 | 0.9384 | 0.9923 | 0.9759 | 1.0444 | 1.3652 | 0.4286 | 0.8571 | 1.2241 | 0.7483 | 0.9372 | 1.0279 | 1.593 | 1.4605 | 1.139 | 1.0953 | 0.8857 | 0.7666 | 0.9753 | 1.131 | 1.0077 | 0.8569 | 0.9867 | 0.8768 |
methionine sulfone | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 44878 | LC/MS Pos Early | 100004635 | 1250 | 182.04816 | 820-10-0 | 69961 | 63154 | 0.3555 | 0.7311 | 0.3555 | 0.9307 | 0.3555 | 1.1317 | 0.3555 | 0.3555 | 0.3555 | 0.3555 | 0.3555 | 0.5052 | 0.3555 | 0.3555 | 0.6873 | 0.3555 | 0.3555 | 0.3555 | 0.9857 | 0.3555 | 0.3555 | 1.2377 | 1.0817 | 1.2752 | 0.8572 | 1.0143 | 0.3555 | 1.0152 | 1.1385 | 1.9477 | 0.6836 | 0.5836 | 1.5214 | 0.7596 | 0.3555 | 2.0155 | ||
methionine sulfoxide | Amino Acid | Methionine, Cysteine, SAM and Taurine Metabolism | 18374 | LC/MS Pos Early | 100000039 | 1272 | 166.05325 | 3226-65-1 | 158980 | 139840 | C02989 | HMDB02005 | 0.6723 | 1.0403 | 0.8566 | 1.0918 | 1.0165 | 0.9718 | 0.8152 | 1.1203 | 0.7981 | 1.0706 | 0.9969 | 0.7074 | 0.9016 | 0.9015 | 0.9277 | 1.0172 | 0.9323 | 1.1646 | 0.557 | 0.7374 | 0.8753 | 1.0031 | 0.9605 | 1.0476 | 1.2807 | 1.1971 | 1.2411 | 0.8874 | 0.9921 | 1.1699 | 1.0854 | 1.2632 | 1.3239 | 0.9156 | 1.2029 | 1.1026 |
methyl glucopyranoside (alpha + beta) | Xenobiotics | Food Component/Plant | 46144 | LC/MS Pos Early | 100005864 | 832 | 212.11268 | 0.3204 | 0.1429 | 0.483 | 0.7619 | 0.5815 | 0.4116 | 0.1429 | 1.2432 | 0.7926 | 0.1429 | 1.2523 | 0.6477 | 0.3593 | 1.8683 | 0.662 | 1.0434 | 0.7935 | 1.2106 | 1.0699 | 1.0371 | 1.9377 | 1.2219 | 1.5405 | 1.7697 | 1.2849 | 1.2211 | 0.9803 | 0.7876 | 1.0436 | 1.0197 | 0.7057 | 0.6327 | 1.4085 | 0.7079 | 0.5914 | 1.044 | |||||
methylmalonate (MMA) | Lipid | Fatty Acid Metabolism (also BCAA Metabolism) | 1496 | LC/MS Polar | 418 | 3078.4 | 117.01933 | 516-05-2 | 487 | 473 | C02170 | HMDB00202 | 0.8448 | 0.7012 | 0.7454 | 1.1085 | 0.8427 | 0.5919 | 0.9477 | 1.0405 | 1.2269 | 1.9861 | 0.7475 | 1.1633 | 1.4167 | 0.9111 | 0.764 | 1.0902 | 0.4799 | 1.0705 | 1.1975 | 1.3182 | 0.5686 | 1.1812 | 0.4921 | 0.777 | 0.8109 | 0.917 | 1.0103 | 0.9897 | 1.0151 | 1.8432 | 1.328 | 0.9373 | 1.2307 | 1.4371 | 0.8321 | 1.854 |
methylphosphate | Nucleotide | Purine and Pyrimidine Metabolism | 37070 | LC/MS Pos Early | 100001805 | 544 | 112.99983 | 7023-27-0 | 13130 | 12578 | HMDB61711 | 0.4999 | 0.7575 | 0.857 | 0.9486 | 0.6967 | 0.9252 | 0.922 | 0.9892 | 0.7491 | 0.9798 | 1.0581 | 0.9624 | 0.8385 | 0.915 | 0.7036 | 1.0108 | 0.8427 | 1.5096 | 1.0377 | 1.1992 | 1.0973 | 0.9109 | 0.9364 | 1.0348 | 1.2782 | 0.9397 | 1.1988 | 1.1108 | 1.3293 | 1.6484 | 1.238 | 1.0528 | 1.6565 | 1.4639 | 1.3472 | 1.1382 | |
methylsuccinate | Amino Acid | Leucine, Isoleucine and Valine Metabolism | 15745 | LC/MS Polar | 2051 | 2800 | 131.03498 | 498-21-5 | 10349 | 9922 | HMDB01844 | 0.9927 | 1.0038 | 2.2051 | 1.4864 | 1.1455 | 0.7651 | 1.1966 | 1.3027 | 0.8933 | 1.2239 | 0.8721 | 0.8328 | 1.1935 | 1.4083 | 0.9507 | 0.8604 | 0.9408 | 1 | 2.3871 | 0.707 | 0.7607 | 0.4593 | 0.9139 | 0.6413 | 1.2097 | 0.9825 | 1.4671 | 0.447 | 0.447 | 1.1195 | 1.0781 | 0.915 | 0.9826 | 1.2051 | 1.4005 | 1.1625 | |
myo-inositol | Lipid | Inositol Metabolism | 1124 | LC/MS Polar | 363 | 3506.3 | 225.06159 | 87-89-8 | 892 | 10239179 | C00137 | HMDB00211 | 1.3587 | 0.9395 | 0.8511 | 0.9986 | 0.6414 | 1.0671 | 0.6761 | 0.8872 | 0.9171 | 1.0885 | 1.0179 | 0.9824 | 1.1465 | 0.7838 | 0.8733 | 0.8947 | 0.9487 | 1.0189 | 0.7109 | 0.7489 | 1.1346 | 1.2755 | 1.0014 | 0.9216 | 1.0264 | 1.3189 | 1.3634 | 1.1394 | 0.9407 | 0.8637 | 0.9471 | 1.327 | 1.295 | 1.6086 | 1.2891 | 1.1648 |
myristate (14:0) | Lipid | Long Chain Saturated Fatty Acid | 1365 | LC/MS Neg | 519 | 5440 | 227.20165 | 544-63-8 | 11005 | 10539 | C06424 | HMDB00806 | 0.7858 | 0.8346 | 1.004 | 0.9392 | 0.9778 | 0.9617 | 1.3913 | 0.8248 | 0.8182 | 1.6514 | 1.4813 | 1.1917 | 1.2927 | 1.0547 | 1.1333 | 0.996 | 0.7808 | 1.1599 | 0.5907 | 0.8414 | 1.1073 | 0.5779 | 0.8163 | 1.4896 | 1.409 | 1.217 | 1.0652 | 1.1253 | 0.937 | 0.8407 | 0.9364 | 1.2227 | 0.9657 | 0.9233 | 1.0312 | 1.1231 |
myristoleate (14:1n5) | Lipid | Long Chain Monounsaturated Fatty Acid | 32418 | LC/MS Neg | 100001198 | 5346.9 | 225.186 | 544-64-9 | 5281119 | 4444564 | C08322 | HMDB02000 | 0.6787 | 0.7803 | 1.0386 | 0.8201 | 1.0443 | 1.1287 | 1.5503 | 0.9644 | 0.6996 | 1.6781 | 2.2116 | 1.0799 | 1.3838 | 1.0238 | 1.1741 | 1.1726 | 0.8217 | 1.2054 | 0.536 | 0.9001 | 1.6859 | 0.6887 | 0.7584 | 1.1771 | 1.5854 | 1.1357 | 1.0285 | 1.0872 | 0.8072 | 0.7817 | 0.8485 | 0.9063 | 0.8748 | 0.8326 | 0.9762 | 0.8611 |
myristoyl dihydrosphingomyelin (d18:0/14:0)* | Lipid | Dihydrosphingomyelins | 57365 | LC/MS Pos Late | 100009038 | 2060 | 677.5592 | 24846886 | HMDB12085 | 0.8018 | 0.8293 | 1.0416 | 1.4196 | 1.392 | 1.0027 | 0.872 | 0.8669 | 0.9973 | 1.6117 | 0.9929 | 0.6942 | 1.0469 | 0.7322 | 0.9197 | 0.8234 | 1.2753 | 2.0884 | 0.8649 | 1.3498 | 0.6298 | 0.8123 | 1.2142 | 1.2598 | 1.2257 | 1.2009 | 0.9956 | 0.7008 | 0.7663 | 1.0374 | 0.8935 | 1.129 | 1.9967 | 1.0514 | 1.0427 | 0.7716 | |||
N,N,N-trimethyl-5-aminovalerate | Amino Acid | Lysine Metabolism | 57687 | LC/MS Pos Early | 100015962 | 2186 | 160.13321 | 34236878 | 0.7848 | 0.7806 | 0.6945 | 1.0571 | 1.0404 | 0.8895 | 0.661 | 1.0882 | 0.6024 | 1.0371 | 0.9914 | 0.3907 | 1.0086 | 0.6277 | 1.1456 | 1.3546 | 0.863 | 1.102 | 0.5059 | 0.789 | 0.7924 | 0.7779 | 0.8673 | 1.463 | 1.3926 | 1.9642 | 1.1793 | 0.5555 | 0.8522 | 1.2963 | 1.3654 | 1.4125 | 0.8077 | 1.6457 | 1.064 | 1.083 | ||||
N,N,N-trimethyl-alanylproline betaine (TMAP) | Amino Acid | Urea cycle; Arginine and Proline Metabolism | 62947 | LC/MS Pos Early | 100020217 | 2470 | 229.15467 | 0.766 | 0.5713 | 0.9545 | 0.98 | 1.0818 | 0.7405 | 1.5206 | 0.9282 | 0.7497 | 1.6381 | 1.4171 | 0.5567 | 1.0558 | 0.7797 | 1.0266 | 1.0757 | 1.0758 | 2.2621 | 0.847 | 0.8215 | 0.8979 | 0.5643 | 1.2892 | 0.8298 | 1.2482 | 1.0792 | 0.7979 | 1 | 0.9269 | 0.5567 | 1.0622 | 1.4296 | 1.1057 | 1.0568 | 1.3262 | 0.702 | |||||
N,N-dimethylalanine | Amino Acid | Alanine and Aspartate Metabolism | 63151 | LC/MS Pos Early | 100020371 | 1370 | 118.08626 | 2812-31-9 | 5488191 | 4589713 | 0.6756 | 0.7912 | 0.9724 | 1.5619 | 1.0693 | 1.0264 | 0.5414 | 0.7278 | 1.1681 | 1.2674 | 1.0284 | 0.5414 | 0.8318 | 1.1575 | 0.5414 | 0.9523 | 1.4767 | 0.8279 | 0.5414 | 0.5414 | 0.5414 | 0.803 | 0.6791 | 1.2039 | 1.3135 | 1.2002 | 1.0981 | 0.9736 | 0.9528 | 0.8259 | 0.9522 | 1.1461 | 1.1585 | 0.5414 | 1.1134 | 0.8734 | ||
N-acetyl-isoputreanine | Amino Acid | Polyamine Metabolism | 62309 | LC/MS Pos Early | 100020487 | 2305 | 203.13902 | 1.2441 | 0.8284 | 1.1594 | 0.952 | 0.997 | 0.9805 | 2.8428 | 1.3915 | 1.4275 | 1.1817 | 0.9056 | 0.6803 | 0.754 | 0.846 | 1.046 | 2.0099 | 1.4217 | 1.2452 | 0.7785 | 1.1114 | 1.1907 | 0.7468 | 1.2198 | 0.8596 | 0.566 | 0.7347 | 0.7745 | 1.7964 | 0.5996 | 0.6121 | 1.8778 | 1.2127 | 1.003 | 0.6219 | 1.6356 | 0.8533 | |||||
N-acetylalanine | Amino Acid | Alanine and Aspartate Metabolism | 1585 | LC/MS Polar | 1110 | 1564.8 | 130.05096 | 97-69-8 | 88064 | 79449 | C02847 | HMDB00766 | 0.4824 | 0.6363 | 0.7296 | 1.0569 | 1.1637 | 1.1197 | 1.4458 | 1.2283 | 0.7489 | 1.6557 | 0.8052 | 0.9669 | 0.897 | 0.6479 | 0.7213 | 0.8718 | 0.7223 | 1.2755 | 0.3211 | 0.9911 | 1.2003 | 0.982 | 1.166 | 1.3093 | 1.376 | 1.434 | 1.4669 | 1.0089 | 0.6291 | 0.7768 | 0.7891 | 1.2764 | 1.2698 | 0.7412 | 1.0547 | 1.032 |
N-acetylarginine | Amino Acid | Urea cycle; Arginine and Proline Metabolism | 33953 | LC/MS Pos Early | 100001266 | 2245 | 217.12952 | 155-84-0 | 67427 | 60752 | C02562 | HMDB04620 | 0.8418 | 0.8769 | 1.2125 | 1.029 | 1.1933 | 0.9188 | 1.0039 | 0.7932 | 0.5974 | 1.0902 | 0.6347 | 0.7354 | 0.7668 | 0.6554 | 0.6189 | 0.7201 | 0.9237 | 1.4797 | 0.5061 | 1.0286 | 1.4386 | 0.9985 | 1.3705 | 1.3637 | 0.8312 | 1.0015 | 1.7156 | 0.8643 | 0.9778 | 1.4887 | 0.8994 | 1.2797 | 1.4754 | 1.409 | 1.5298 | 1.2329 |
N-acetylasparagine | Amino Acid | Alanine and Aspartate Metabolism | 33942 | LC/MS Pos Early | 100001257 | 785 | 175.07134 | 4033-40-3 | 99715 | 90090 | HMDB06028 | 1.403 | 1 | 1.0555 | 0.5479 | 0.7074 | 0.8121 | 1.1471 | 0.6865 | 1.2107 | 0.8796 | 0.5775 | 0.4867 | 0.6849 | 1.0815 | 0.9942 | 1.0698 | 1.1219 | 0.8166 | 0.6271 | 1.1279 | 0.7804 | 0.8967 | 0.6131 | 1.0521 | 1.1859 | 0.8865 | 1.0975 | 1.0297 | 0.4867 | 1.0971 | 0.4867 | 1.8087 | 0.8784 | 0.4867 | 1.0062 | 1.2627 | |
N-acetylaspartate (NAA) | Amino Acid | Alanine and Aspartate Metabolism | 22185 | LC/MS Pos Early | 100000787 | 880 | 176.05535 | 997-55-7;997-55-7 | 65065 | 58576 | C01042 | HMDB00812 | 0.9805 | 0.7911 | 1.976 | 1.1824 | 0.9447 | 1.2213 | 0.4457 | 1.4153 | 0.9636 | 1.0123 | 0.9026 | 1.7932 | 0.6789 | 1.0724 | 1.2951 | 1.0398 | 0.9877 | 2.0681 | 0.6378 | 1.4853 | 1.8325 | 1.4545 | 0.7402 | 1.2213 | 0.699 | 0.643 | 0.7711 | 0.9696 | 0.6198 | 0.5535 | 2.2204 | 0.8272 | 1.0797 | 0.6958 | 1.5968 | 1.4557 |
N-acetylglucosamine/N-acetylgalactosamine | Carbohydrate | Aminosugar Metabolism | 46539 | LC/MS Pos Early | 100006435 | 715 | 222.0972 | 24139 | HMDB00215 | 1.0127 | 0.9122 | 1.0393 | 0.9527 | 1.4747 | 0.6891 | 1.2551 | 0.7741 | 0.9423 | 1.657 | 1.1097 | 0.9318 | 1.0219 | 0.9473 | 0.9549 | 0.8459 | 0.9574 | 1.4839 | 0.7481 | 0.7372 | 0.7763 | 0.798 | 0.8006 | 1 | 1.0606 | 1.1922 | 1.2242 | 0.7475 | 0.9217 | 0.6891 | 1.0165 | 1.3828 | 1.1703 | 1.2555 | 1.0292 | 1.1526 | |||
N-acetylglutamate | Amino Acid | Glutamate Metabolism | 15720 | LC/MS Polar | 100000282 | 3106 | 188.05644 | 5817-08-03T0:0:0+0000 | 70914 | 1266066 | C00624 | HMDB01138 | 0.9871 | 0.7905 | 0.8999 | 0.8773 | 1.1734 | 0.8385 | 1.316 | 0.7446 | 1.5856 | 1.553 | 0.9355 | 0.6784 | 1.0034 | 0.9517 | 0.9391 | 0.9645 | 1.0798 | 1.9123 | 0.64 | 0.9514 | 1.0347 | 0.6604 | 0.7586 | 1.0464 | 1.4209 | 1.7597 | 2.3975 | 0.9966 | 0.6635 | 1.2 | 0.9606 | 1.8244 | 2.2044 | 1.2408 | 1.7021 | 1.0708 |
N-acetylglutamine | Amino Acid | Glutamate Metabolism | 33943 | LC/MS Pos Early | 100001253 | 845 | 189.08699 | 2490-97-3 | 182230 | 158492 | C02716 | HMDB06029 | 0.9794 | 1.0111 | 0.9397 | 0.7874 | 0.696 | 1.118 | 1.2058 | 0.9856 | 0.8907 | 1.0239 | 0.9836 | 0.9155 | 1.2102 | 0.9973 | 1.0027 | 1.1301 | 1.168 | 1.2967 | 0.63 | 1.1105 | 1.2733 | 1.0298 | 0.9519 | 0.9434 | 1.1958 | 1.4647 | 1.022 | 0.8385 | 0.8011 | 0.9146 | 0.9034 | 0.9523 | 0.947 | 1.103 | 1.4107 | 1.1204 |
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Variable (vertical) | Explanation | ||||||||
BIOCHEMICAL | Biochemical | ||||||||
SUPER PATHWAY | Superpathway | ||||||||
SUB PATHWAY | Sub-pathway | ||||||||
COMP ID | Internal composition ID | ||||||||
PLATFORM | Analytical platform | ||||||||
CHEMICAL ID | Internal chemical ID | ||||||||
RI | Retention Time Index | ||||||||
MASS | Molecule mass | ||||||||
CAS | CAS number | ||||||||
PUBCHEM | PUBCHEM number | ||||||||
CHEMSPIDER | CHEMSPIDER ID | ||||||||
KEGG | Kyoto Encyclopedia of Genes and Genomes (KEGG) ID | ||||||||
HMDB ID | Human Metabolome Database (HMDB) ID | ||||||||
Variable (horizontal from column M) | Explanation | ||||||||
Fish ID | Individual Fish ID | ||||||||
GROUP DESCRIPTION | Exposure regime: Control, low/medium/high dose chlorpyrifos-methyl | ||||||||
Fish NUMBER | Number of fish from 1-36 | ||||||||