metabolite_name HILIC-RN1-pos HILIC-RN2-pos HILIC-RN3-pos HILIC-RN4-pos HILIC-RN5-pos HILIC-RN6-pos HILIC-RN7-pos HILIC-RN8-pos HILIC-RN9-pos HILIC-RN10-pos HILIC-RN11-pos HILIC-RN12-pos HILIC-RN13-pos HILIC-RN14-pos HILIC-RN15-pos HILIC-RN16-pos HILIC-RN17-pos HILIC-RN18-pos HILIC-RN19-pos HILIC-RN20-pos HILIC-RN21-pos HILIC-RN22-pos HILIC-RN23-pos HILIC-RN24-pos HILIC-RN25-pos HILIC-RN26-pos HILIC-RN27-pos HILIC-RN28-pos HILIC-RN29-pos HILIC-RN30-pos HILIC-RN31-pos HILIC-RN32-pos HILIC-RN33-pos HILIC-RN34-pos HILIC-RN35-pos HILIC-RN36-pos Alanine 0.802 0.470 0.463 0.383 0.734 0.348 0.822 1.011 0.275 0.770 0.402 0.345 0.739 0.539 0.253 0.631 0.748 0.107 1.381 1.574 0.343 1.105 1.000 0.184 2.353 1.493 0.232 2.492 1.127 0.133 1.423 0.553 0.107 0.955 0.708 0.097 Asparagine 2.483 0.534 0.467 0.688 1.412 1.066 2.645 1.853 0.609 0.966 0.404 0.593 0.930 0.747 0.896 0.632 0.725 0.492 1.699 1.602 0.870 0.496 0.662 0.363 0.864 2.594 1.054 1.670 2.130 0.486 0.916 1.333 0.328 0.801 0.626 0.109 Aspartate 3.178 0.549 0.452 0.594 1.130 1.140 1.360 1.461 0.580 0.852 0.595 0.451 0.609 0.406 0.616 0.849 0.712 0.457 1.033 1.265 1.028 0.489 0.639 0.335 1.632 2.236 1.523 0.739 2.480 0.674 1.210 1.333 0.326 0.966 0.522 0.182 Betaine 0.191 0.190 0.370 0.262 0.612 0.972 0.656 0.491 0.125 0.545 0.128 0.360 0.329 0.212 0.390 0.156 0.230 0.184 0.300 0.313 0.207 0.129 0.146 0.165 2.353 0.296 0.480 0.282 0.563 0.558 0.276 0.154 0.101 0.369 0.044 0.119 Citruline 1.827 0.697 0.353 0.349 0.990 0.284 0.355 1.680 0.186 0.887 0.659 0.212 0.927 0.776 0.381 0.806 0.749 0.073 1.603 1.659 0.156 1.427 1.127 0.187 1.165 2.350 1.021 2.798 1.255 0.279 1.637 0.554 0.137 1.061 0.935 0.082 Glutamine 2.091 0.854 0.364 0.501 1.089 0.767 1.718 1.762 0.556 0.812 0.440 0.519 0.985 0.774 0.474 0.843 1.149 0.235 1.980 1.763 0.487 0.894 1.074 0.244 1.164 1.782 0.613 1.994 1.721 0.360 0.929 0.904 0.235 1.262 0.326 0.146 Histidine 2.641 1.077 0.569 0.479 1.092 1.125 2.424 1.053 0.663 0.607 0.345 0.538 0.563 0.680 1.242 0.438 0.439 0.531 1.833 0.826 1.227 2.015 0.516 0.601 1.049 2.204 1.672 2.798 1.830 2.063 1.430 1.258 0.582 1.043 1.528 0.568 Homoserine 1.792 1.444 1.172 1.232 2.572 2.100 3.562 0.746 0.954 2.075 0.716 1.519 0.590 0.371 1.689 0.589 0.683 1.033 1.022 1.117 2.850 0.468 0.468 1.225 1.307 2.254 2.799 1.086 2.795 1.163 0.802 0.859 0.998 0.549 1.081 0.850 Isoleucine 1.158 0.591 0.927 1.047 2.247 2.201 4.756 0.065 0.677 1.788 0.452 1.190 0.443 0.313 1.560 0.343 0.470 0.797 0.676 0.734 2.313 0.213 0.381 1.128 1.546 1.829 2.917 1.369 2.539 1.322 0.497 0.400 0.749 0.373 0.708 0.499 Kynurenine 2.265 0.357 0.414 1.153 1.754 1.429 4.756 0.106 1.100 1.977 0.699 1.480 0.713 0.566 0.976 0.502 0.544 1.082 0.549 2.468 0.342 1.452 1.549 2.063 3.299 1.012 0.490 1.151 0.588 0.402 L-Aminoadipate 0.807 0.174 0.818 0.911 1.637 1.892 3.015 0.065 0.691 1.148 0.692 1.122 1.151 0.687 1.469 0.633 0.823 0.650 1.656 1.763 1.675 0.281 0.849 0.798 1.394 2.312 2.894 1.529 2.068 1.811 0.645 0.736 0.810 0.585 0.636 0.368 Leucine 2.386 0.287 0.348 0.607 1.402 2.202 4.046 0.073 0.759 1.502 0.322 1.146 0.450 0.285 1.767 0.341 0.503 1.102 0.678 0.854 2.999 0.360 0.452 1.470 1.184 2.073 4.047 1.288 2.902 2.114 0.467 0.656 1.102 0.443 1.014 0.545 Methionine 1.577 0.284 0.436 1.004 2.190 2.059 3.412 0.082 0.668 2.075 0.530 1.321 0.953 0.577 1.667 0.746 1.014 0.789 0.862 1.120 2.616 0.548 0.811 1.144 1.505 2.538 2.301 2.239 1.890 1.253 0.601 0.607 0.855 0.669 0.723 0.436 Phenylalanine 1.977 0.586 0.223 0.396 0.713 0.640 2.191 0.373 0.577 1.328 0.361 0.244 0.199 0.288 0.741 0.317 0.419 0.276 0.530 0.751 1.718 0.634 0.553 0.953 1.730 2.679 1.799 1.351 1.917 0.537 2.056 0.553 0.570 0.306 0.491 0.167 Proline 0.669 0.237 0.315 0.384 0.786 0.595 4.756 0.099 0.419 0.902 0.408 0.793 0.482 0.345 0.446 0.498 0.616 0.308 0.739 0.933 1.005 0.329 0.595 0.495 1.401 1.481 0.877 0.711 2.993 0.503 0.558 0.462 0.308 0.419 0.608 0.321 S-Adenosyl-L-homocysteine 2.762 0.553 0.569 1.001 2.043 1.227 2.478 2.292 1.074 1.273 0.732 1.055 1.102 0.694 1.558 0.895 1.210 0.779 1.080 1.060 2.176 0.610 0.911 0.800 1.442 2.679 0.881 2.495 2.434 1.266 0.936 1.229 0.716 1.258 0.311 0.101 Sarcosine 1.991 1.009 0.652 0.558 1.283 1.032 0.584 1.287 0.253 0.924 0.377 0.647 0.756 0.693 0.715 0.641 0.715 0.321 1.502 1.448 0.563 1.284 1.013 0.250 2.217 2.443 0.674 2.798 1.979 0.500 1.617 0.594 0.120 1.094 1.036 0.171 Serine 3.621 1.825 1.104 1.235 2.518 1.553 3.556 2.955 0.899 1.534 0.945 1.162 0.846 0.655 1.200 0.739 0.849 0.672 1.286 1.489 1.650 1.712 0.798 0.853 2.353 2.425 1.795 2.522 3.139 1.299 1.435 0.995 0.908 0.727 1.019 0.571 Threonine 2.515 1.413 0.804 0.702 1.290 1.045 1.400 2.265 0.498 1.039 0.830 1.691 1.085 0.770 0.844 0.972 1.391 1.042 1.722 1.710 2.452 1.185 1.183 1.166 1.714 2.430 2.089 2.517 2.608 0.885 1.102 1.023 0.698 1.261 0.605 0.373 Tryptophan 0.139 0.285 0.759 0.889 2.040 1.371 1.512 0.123 0.659 1.393 0.513 1.226 0.911 0.661 1.215 0.805 1.285 0.739 1.465 1.763 2.367 0.374 0.846 1.113 1.788 2.435 2.708 1.753 3.103 2.275 1.054 0.972 1.234 0.644 1.093 0.572 Tyrosine 1.181 0.163 0.452 0.544 1.118 1.038 2.333 0.090 0.634 1.819 0.321 0.931 0.572 0.443 0.815 0.515 0.677 0.639 0.800 1.053 1.879 0.849 0.697 1.291 2.290 2.679 2.293 1.473 4.299 1.379 1.602 0.844 1.273 0.833 0.246 0.625 Valine 3.450 0.703 1.086 1.291 2.685 2.236 3.880 0.118 0.730 1.771 0.588 1.308 0.690 0.524 1.334 0.725 0.962 0.924 0.993 1.339 2.925 0.441 0.687 1.211 2.353 2.130 3.424 1.762 3.760 1.072 1.162 0.623 0.922 0.606 0.558 0.534 metabolite_name quanitfied m/z PubChemID KEGG ID Alanine 90.05495 5950 C00041 Asparagine 133.06076 236 C00152 Aspartate 134.04478 424 C16433 Betaine 118.08625 247 C00719 Citruline 176.10295 9750 D07706 Glutamine 148.06043 5961 C00303 Histidine 156.07674 6274 D00032 Homoserine 120.06551 779 C00263 Isoleucine 132.1019 791 D00065 Kynurenine 209.09206 161166 C00328 L-Aminoadipate 162.07608 6992111 C00956 Leucine 132.1019 6106 D00030 Methionine 150.05832 6147 C00073 Phenylalanine 166.08625 6140 D00021 Proline 116.0706 145742 C00148 S-Adenosyl-L-homocysteine 385.12884 439155 C00021 Sarcosine 90.05495 1088 C00213 Serine 106.04986 5951 C00065 Threonine 120.06551 6288 D00041 Tryptophan 205.09715 6305 D00020 Tyrosine 182.08116 6057 C00082 Valine 118.08625 6287 D00039