Metabolite_name RefMet_name 14_22 25_55 40_74 4_19 43_48 17_57 23_60 32_58 50_20 64_43 73_67 77_5 84_32 93_73 29_8 37_4 39_61 53_51 67_56 78_15 83_1 89_39 12_40 15_9 20_14 30_70 47_54 75_75 9_52 34_69 38_68 42_49 79_11 95_64 2_3 24_10 27_28 28_47 44_59 54_66 70_13 7_72 90_45 94_7 Factors - Condition:DCM | Gender:F Condition:DCM | Gender:F Condition:DCM | Gender:F Condition:DCM | Gender:F Condition:DCM | Gender:F Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:DCM | Gender:M Condition:Donor | Gender:F Condition:Donor | Gender:F Condition:Donor | Gender:F Condition:Donor | Gender:F Condition:Donor | Gender:F Condition:Donor | Gender:F Condition:Donor | Gender:F Condition:Donor | Gender:F Condition:Donor | Gender:M Condition:Donor | Gender:M Condition:Donor | Gender:M Condition:Donor | Gender:M Condition:Donor | Gender:M Condition:Donor | Gender:M Condition:Donor | Gender:M Condition:ICM | Gender:F Condition:ICM | Gender:F Condition:ICM | Gender:F Condition:ICM | Gender:F Condition:ICM | Gender:F Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M Condition:ICM | Gender:M 1-methylhistamine 1-Methylhistamine 1.1115 1.0372 1.1595 0.9164 0.9487 1.0139 0.9893 0.9681 0.9646 0.7419 0.9387 0.9549 1.0884 0.9970 0.9922 1.1106 1.1095 0.9364 0.9064 0.9347 0.9550 0.9967 1.0507 0.9848 0.9515 0.9585 0.9915 0.9909 1.0723 1.1606 1.0430 1.0425 1.0199 0.9860 1.0432 0.9157 1.0324 1.1058 1.0134 0.9513 0.9900 0.9318 0.9294 0.9314 2-deoxyadenosine Deoxyadenosine 1.6543 2.2539 3.2053 0.5715 1.1101 3.9489 1.9277 4.1425 0.6147 1.1864 1.9731 1.1946 0.3587 2.0999 1.7524 0.9026 1.7076 1.1650 0.9901 0.3821 1.0724 0.8503 1.7900 0.7679 1.9751 2.6183 0.3420 0.9440 2.3138 2.8061 2.5884 3.5984 0.7464 2.6565 0.8001 1.9580 3.7229 1.6883 0.7047 0.7132 1.9929 0.7965 0.3923 1.4498 2-deoxycytidine Deoxycytidine 0.9870 1.3724 1.1961 1.6452 0.3749 0.8185 1.8352 2.6895 0.8436 0.7199 1.0999 1.4462 3.6375 0.6452 0.9068 0.3522 0.1529 0.1744 2.6782 0.2820 0.2542 0.4056 0.7373 0.1436 0.2439 0.3690 0.3986 0.5727 0.6112 3.1501 1.0140 0.4630 1.7171 0.7104 2.0452 2.5174 0.9649 0.9144 2.3694 2.8609 4.5411 1.3003 3.2464 2.7345 2-Methylbutyrylcarnitine CAR 4:0;2Me 0.1100 0.0646 0.0888 0.1733 0.1222 0.1575 0.0999 0.1504 0.0905 0.1170 0.0364 0.1536 0.2128 0.1078 17.1002 2.9932 10.0285 0.2096 1.5137 2.4944 0.4765 6.2024 4.9247 3.3399 1.1743 0.4962 0.4373 2.9035 0.4933 0.2331 0.0576 0.1031 0.3951 0.1615 0.1137 0.1833 0.0327 0.0680 0.3150 0.0799 0.1242 0.1102 0.0768 0.0989 5-Aminolevulinic-Acid 5-Amino-levulinic acid 0.6216 0.9652 0.6968 1.2536 0.8623 0.6885 0.8738 1.1921 0.9803 0.5844 0.8865 1.1327 1.0679 0.8528 1.3148 1.1205 0.8488 0.8626 1.4772 1.6038 1.1217 1.8234 0.9854 1.1575 1.2025 1.3065 1.1617 0.7195 1.1145 1.1003 1.0110 0.7340 1.0257 1.3100 1.1714 1.5421 0.5944 0.6578 1.0835 1.0984 1.1950 0.7851 0.9105 0.9309 5-HIAA 5-Hydroxyindoleacetic acid 1.1569 1.0779 0.8813 1.3507 0.4060 0.7032 1.0778 1.3042 0.8232 0.7592 0.7529 2.3424 1.2509 1.0502 1.0775 1.2943 0.7490 0.9232 1.1465 2.6552 2.3244 1.7385 1.1562 0.7071 0.9474 0.9728 0.9708 0.7626 1.3065 1.0460 0.8245 0.9371 1.6848 1.1034 1.1177 1.2095 0.7616 0.9814 1.5220 1.2544 1.1374 1.1387 1.1023 1.2849 Acetoacetic-Acid Acetoacetic acid 0.7639 0.8060 0.6890 1.3187 0.7537 0.9738 1.2368 1.2961 0.8923 0.7794 0.9373 0.9664 1.0038 0.6014 1.1910 1.0379 1.0987 0.8602 1.3534 1.1970 0.8643 1.1581 1.1028 0.3696 1.2604 1.2278 1.4957 1.2346 1.1746 0.8431 1.1064 0.7471 1.0608 0.7998 1.2081 1.2430 0.9002 1.0601 1.0967 0.9878 1.2050 1.1339 1.0331 0.8108 Acetylcarnitine CAR 2:0 0.8105 0.8573 0.6684 1.6039 0.6845 0.7239 1.0048 1.0136 0.8676 0.7490 0.7041 1.1583 1.2656 0.8006 0.9828 1.1516 0.9899 0.9155 1.3813 1.6812 0.7982 1.6634 0.9813 0.5838 1.3964 1.2049 1.1202 0.8295 1.1554 0.9568 0.9693 0.6692 1.2135 1.2674 1.2222 1.5081 0.6188 0.6841 1.4471 1.2937 1.2199 0.9578 1.4132 1.0263 Acetylcholine Acetylcholine 0.7829 0.8540 0.4797 1.6311 0.6764 0.6071 1.1572 1.4206 1.2502 0.3622 0.6140 1.0069 1.0224 0.5203 0.9234 0.9361 0.5622 0.8216 1.4417 3.5316 0.8611 2.3351 0.9125 1.3179 1.7029 1.4253 1.4871 0.7630 1.2229 0.5315 0.5940 0.3546 0.9328 1.0996 1.7066 2.9628 0.3861 0.6198 1.5174 1.4861 1.4748 1.1832 1.1671 1.3325 Adenosine Adenosine 0.7835 1.2057 0.9421 1.6419 0.3711 0.8171 2.0142 1.9162 0.7976 0.4498 0.6104 2.7929 1.4246 0.8690 0.3503 0.4474 0.2735 0.1869 1.3123 0.5573 0.1120 0.8623 0.3096 0.1269 1.5367 0.2823 0.4545 0.2679 1.1546 1.6167 1.0037 1.1755 1.6474 1.1188 1.2080 1.4334 0.9241 0.4606 2.1258 2.2238 1.8478 0.6595 2.4087 1.3282 ADMA Dimethylarginine 0.6466 1.2144 0.6876 2.0751 0.6877 0.5178 1.5507 1.6491 0.8727 0.6447 0.6503 6.8666 1.6267 1.1829 1.4180 2.1098 0.6351 0.9937 0.9638 2.0368 0.7006 1.7242 0.6447 0.5573 0.8780 1.0404 0.6636 0.3857 0.9460 0.8442 0.7492 0.4990 1.0082 1.4166 1.6196 1.5759 0.5038 0.7029 1.3175 2.1633 1.5041 0.8061 2.1622 1.5435 Alanine Alanine 0.6178 0.6628 0.6946 1.4065 0.5392 0.7528 1.0259 0.9677 0.8684 0.3033 0.4018 1.6312 1.1783 0.5456 1.3559 1.4987 0.8821 0.6778 1.4324 1.7360 1.2837 1.5326 1.3750 0.5860 1.2465 1.1242 0.9000 0.8429 0.9842 0.9048 0.7841 0.4565 0.9042 1.4083 0.9096 1.0166 0.7766 0.4616 1.1990 1.4982 1.2718 0.9597 1.3274 0.9397 Aminoadipic-Acid Aminoadipic acid 0.4816 0.5532 0.3886 0.4265 0.7522 0.3369 1.0513 1.3646 0.8695 0.3395 0.6117 2.9959 1.3941 0.4899 0.9265 1.4591 4.8770 0.4896 2.8910 1.1162 1.1249 1.2856 0.6494 1.2061 1.0672 0.7277 0.8783 0.4280 1.2588 1.0938 2.3284 0.8613 0.7077 1.0555 1.7909 1.2608 0.2818 0.3510 1.2127 0.7907 1.8583 0.3385 3.0850 0.4448 Anserine Anserine 1.0852 0.8156 0.7051 0.7760 0.4347 0.6122 0.6831 0.9698 1.6584 0.4880 1.2607 0.7758 1.3667 1.8324 2.1533 1.8920 1.1488 0.2315 2.0193 0.1463 1.1949 1.1240 0.2827 0.1614 0.6236 1.1128 0.4735 0.1461 1.0176 1.4638 0.4034 0.7054 1.0645 2.1729 0.6718 3.2975 1.0321 0.6910 1.3917 9.4894 1.8324 0.6544 2.9770 1.0340 Arginine Arginine 0.4393 1.0425 0.6658 1.1654 0.8352 0.6797 1.1985 1.3968 1.1572 0.7723 0.8243 1.9137 1.7405 0.8538 1.0107 0.7607 0.5762 0.6280 2.3064 2.1771 0.7112 2.3542 0.7864 0.5046 1.0057 0.4402 0.7538 0.3396 0.5867 1.3245 0.7848 0.9242 1.2541 2.0598 1.7843 2.2858 1.0217 0.9142 2.6340 1.1263 1.7086 0.7634 1.6391 1.2786 Asparagine Asparagine 0.6274 0.6064 0.6147 1.0048 0.7691 0.4873 0.9449 0.7732 0.8931 0.5479 1.1459 2.7217 1.1186 0.6790 1.0018 1.2057 1.4848 1.2974 1.3711 1.3601 0.9394 0.9975 1.1392 1.3338 1.0482 1.1398 0.9880 0.5860 1.4045 0.9239 0.8382 0.8285 0.7070 1.1197 0.8679 0.7487 0.6772 0.7709 0.8924 1.0155 0.7726 0.9090 0.9607 0.6328 Aspartate Aspartic acid 0.6364 0.7410 1.1065 1.3544 1.3353 0.5355 2.9572 2.1602 0.5325 1.5416 0.5573 1.0933 1.5703 1.0070 0.5828 0.3782 0.5563 1.1248 1.2458 0.8034 0.5606 1.5091 1.2966 0.2219 0.9638 3.1144 1.2097 0.3791 3.5856 0.7054 1.0015 0.6349 0.8057 0.5702 1.2427 0.6350 1.1386 0.7395 0.7896 1.2243 1.2379 0.9211 4.0364 1.2604 beta-Alanine beta-Alanine 0.7667 0.4645 0.9776 1.2607 0.9130 0.9457 0.8114 1.3851 1.0208 0.7998 0.7902 1.1163 1.0294 0.5722 0.7033 1.3492 0.9106 0.6190 0.8341 1.6192 0.9974 1.3495 1.1100 0.8881 0.8407 0.8221 0.8866 1.1067 0.9991 1.1259 1.3622 1.3199 1.1772 1.1065 0.8572 1.2061 0.5496 0.8182 1.0126 1.0115 0.6962 0.7584 1.5702 0.7355 Betaine Betaine 1.0740 1.1018 1.1417 0.7217 1.1221 1.0808 1.0508 0.9563 0.9964 1.1081 1.1697 0.7521 0.8875 1.0825 1.0331 0.9945 1.0985 1.0742 0.9945 0.5741 0.9682 0.7050 1.1659 1.2254 0.9396 1.1131 0.8989 0.9439 0.9914 1.1320 1.0020 1.1041 0.8899 1.0330 0.9367 0.7336 1.1498 1.1495 0.7476 0.8483 0.9613 0.9991 0.8283 0.9129 Butyrlcarnitine CAR 4:0 0.8098 0.9957 0.8144 1.0559 0.6460 0.8416 0.9040 0.9439 1.0193 0.7410 0.6709 1.1152 0.9424 0.7401 1.1269 1.1985 0.9633 0.9325 1.1809 1.3237 0.9956 1.4291 1.0436 1.0988 1.1296 1.0686 0.8996 1.0495 0.9493 0.9654 0.8789 0.8702 0.9868 1.0514 1.0007 1.1914 0.6488 0.7524 0.9942 1.0434 1.1145 0.9453 0.9577 1.0279 Carnitine Carnitine 0.7698 0.8996 0.7036 1.2728 0.9093 0.7695 1.0161 1.0740 0.8879 0.7573 0.9350 1.0509 0.9630 0.8295 1.0176 0.9265 0.9994 0.9141 1.0508 1.1992 0.8898 1.1683 1.0005 0.3533 1.0461 1.0715 1.1451 0.9636 1.0053 0.8661 0.9879 0.7752 1.0498 0.9690 1.1526 1.1607 0.7770 1.0270 1.1954 1.0409 1.0487 1.0253 1.0968 0.9079 Carnosine Carnosine 0.6077 0.7794 2.3235 1.2610 0.6975 0.5991 2.1523 0.6466 0.6655 0.4526 0.4280 6.5948 1.9071 1.7247 1.4347 1.2933 0.8547 0.9794 0.9691 0.9419 0.4889 1.0914 0.7238 0.1533 0.4112 0.5510 0.3479 0.1681 0.4874 1.1341 0.2541 2.1145 1.3869 4.3408 1.0157 0.9832 3.0002 1.5892 0.6972 1.8073 1.6465 0.6040 1.6910 0.8112 Choline Choline 0.7398 1.0773 0.9954 1.5324 0.5205 0.5999 1.0574 1.0075 1.3373 0.7004 0.6030 1.2920 1.3766 1.1303 0.2814 0.2215 0.2155 0.9231 0.5335 1.4335 0.4492 1.6348 0.2243 5.7466 0.7071 0.2719 0.3142 0.4152 0.3683 0.6971 0.8044 0.6711 0.7910 1.7479 1.4149 1.1746 0.8886 1.0124 1.4490 1.5342 2.2808 1.0532 2.3010 1.0251 Citrulline Citrulline 0.7594 1.6025 0.5724 0.2993 0.9015 0.6148 0.9507 1.1821 1.2942 1.5462 2.3016 1.5093 2.3557 0.7992 0.4896 0.3839 0.4872 0.6915 0.3037 0.7572 1.2882 0.5492 0.8409 0.3121 0.4100 0.3190 0.2725 0.2353 0.9871 0.8705 1.4308 1.3034 0.6863 1.5733 2.9528 8.7555 0.9960 1.0686 1.1264 1.9390 1.8016 0.5355 2.6835 0.8022 Creatine Creatine 1.2505 0.9538 1.2117 0.8059 1.4732 0.8767 0.8613 0.9280 0.9631 1.1368 1.2245 0.9123 0.7773 0.8413 1.1065 1.0013 1.1892 1.0293 0.9528 1.0627 1.1314 0.7912 1.0428 1.2683 1.1256 1.0827 1.1720 1.0760 0.9935 1.0495 1.0760 1.0831 0.9624 1.1649 1.2676 0.9278 1.0835 1.1306 1.1156 0.9054 0.9308 1.0878 0.9320 1.0493 Cystamine Cystamine 2.4992 0.7882 0.6556 2.1360 3.0077 0.6089 2.1441 1.4227 0.6415 1.2129 1.1394 3.4271 1.7020 1.5626 0.5527 0.9559 0.1943 0.2376 0.1499 1.4549 0.4146 0.1425 0.4873 0.6602 0.0726 0.6146 0.2321 0.0777 0.3119 0.7871 0.5128 0.4656 0.4530 0.9035 0.8281 0.8145 0.4176 0.7620 3.3231 2.5700 2.3884 0.7901 3.0254 0.5869 Cysteamine Cysteamine 1.1555 0.5353 1.1367 0.8773 0.7758 0.4077 3.0766 0.8897 0.8332 0.7059 1.5955 2.3788 1.3542 0.4814 0.3854 0.8006 0.0815 0.0629 0.5477 0.8328 8.3127 0.4988 0.4712 0.0300 0.6573 0.2101 0.3186 0.5615 0.6331 0.7177 1.0075 0.6201 0.6225 1.1273 2.8629 1.7174 1.9967 1.8503 1.1814 2.5195 5.3026 0.5642 3.3175 0.6557 Cysteine Cysteine 0.8576 1.1658 1.1815 1.1475 0.6566 0.5451 1.3807 1.0520 1.1870 1.1801 0.7103 5.1495 1.4544 1.2315 0.4552 1.2608 0.5159 1.0498 1.7874 1.4172 1.4091 1.4734 0.6375 2.2196 0.6174 0.3607 0.9146 0.4386 0.3196 0.5401 0.7402 0.8081 0.8041 1.6234 1.0166 1.1334 1.1880 1.4975 1.8073 2.3504 1.1575 0.8123 1.4226 1.4403 Cytidine Cytidine 1.0331 0.9935 0.9473 2.0585 0.1240 0.4307 1.7048 2.3905 0.8056 0.6204 0.8628 0.7827 3.0181 0.9490 0.5983 0.4254 0.1047 0.1457 1.2160 0.5970 0.0836 0.1545 0.6820 0.2389 0.0940 0.1058 0.1745 0.6017 0.2632 3.6623 0.7876 0.2778 2.6644 0.2622 1.5794 3.7885 1.1290 0.8100 3.5188 2.9931 5.0929 1.6425 2.9553 1.7741 Cytosine Cytosine 1.0319 0.9701 1.0022 2.0312 0.1530 0.4488 1.6505 2.2153 0.8430 0.6307 0.9229 0.6956 3.0829 0.8552 0.5563 0.3700 0.1128 0.2069 1.1512 0.6340 0.0994 0.1254 0.6468 0.2445 0.1336 0.1447 0.2239 0.5836 0.2754 3.3084 0.7994 0.3500 2.4215 0.3496 1.6404 3.2771 1.0706 0.7902 3.0903 2.5085 4.9577 1.5595 2.8580 1.7365 Glutamate Glutamic acid 0.9256 1.0498 0.9798 1.0132 0.9693 0.7130 1.3268 1.1734 0.8504 0.7630 0.9461 0.7747 1.2401 1.0619 1.0344 0.6127 0.7641 1.0354 1.1598 0.9181 1.1635 1.3133 0.8441 1.2494 1.1631 0.9247 0.9804 0.3566 0.8880 1.2111 0.8010 0.6876 1.2434 0.5484 1.1712 1.2430 0.9736 0.9454 1.0357 0.9409 1.2781 1.1120 1.1467 1.0969 Glutamine Glutamine 0.6924 1.0572 0.5847 1.1998 0.8424 0.7020 1.3676 1.2656 1.2401 0.5142 0.9421 0.9845 1.1187 0.7772 1.0989 1.1174 1.0285 0.9588 1.1243 1.6805 0.9553 1.4100 0.8858 0.9370 1.1882 0.9363 1.0251 0.5949 1.3533 1.1611 1.0230 0.5048 1.3544 1.2103 1.4180 1.5037 0.6162 0.6975 1.3962 1.0654 1.3772 0.7464 1.0691 0.9468 Glycine Glycine 0.7938 1.0216 0.9692 0.9474 0.6357 0.9331 0.7324 0.6881 0.9221 0.8129 0.5345 2.1236 0.8175 1.1282 1.2107 1.5920 1.1692 0.9026 1.0904 0.6642 1.6381 0.5824 0.8260 0.7727 0.6309 0.6814 0.7042 0.6332 1.7376 0.7656 1.1343 1.1678 0.5795 1.6124 0.8254 0.5582 0.9525 1.0905 1.1155 0.9035 0.4628 0.8830 0.6275 1.2862 Histamine Histamine 0.4424 0.4512 0.7614 0.9379 0.5219 0.6930 0.4461 0.5424 0.4647 0.3824 1.5139 0.5972 0.3885 0.2485 0.5366 0.8371 0.3948 0.4219 0.9912 0.8671 1.2529 3.7211 0.5451 0.5214 0.5093 0.5452 0.3954 0.6055 0.6702 0.5695 0.5491 0.9550 0.5798 0.7368 0.7700 0.7517 0.5372 0.4386 0.5569 0.3804 0.4706 0.4455 1.1031 0.7069 Histidine Histidine 0.1174 0.1502 0.1262 0.3300 0.1010 0.1291 0.2308 0.2010 0.2712 0.1078 0.1428 0.6933 0.4698 0.2392 0.3002 0.3156 0.1447 3.2628 3.0752 2.0035 2.7864 4.2686 0.1635 4.8039 0.3243 0.2400 0.2118 0.0758 0.3560 0.2935 0.1135 0.1579 0.2808 0.4686 0.3592 0.2995 0.1535 0.1492 0.3486 0.4919 0.4216 0.1939 0.2979 0.1979 HomocysteineN Homocysteine 0.9707 0.9023 0.9463 0.9384 0.9388 0.9364 1.0343 1.0997 1.0104 0.9653 1.1295 1.1389 0.8195 0.7847 0.9157 1.0466 0.9833 0.9218 1.0837 0.9349 1.0591 0.7600 0.9735 0.9763 1.0264 0.8994 1.0228 1.0528 1.0056 0.9703 0.8891 0.8994 1.0162 1.0007 1.0414 0.9421 1.1502 1.0083 1.0064 0.9080 1.1622 1.0113 0.8806 0.9712 Isoleucine Isoleucine 0.4539 0.5437 14.3537 0.9166 0.3047 0.4808 0.6421 0.9398 0.4453 0.4576 0.2820 1.8187 0.9842 0.3428 0.2592 0.2825 0.1833 0.2814 0.9665 1.9347 0.2134 1.8855 0.2881 0.5427 0.2245 0.1223 0.3210 0.3152 0.1094 0.6350 0.3221 0.2886 0.7961 27.5569 0.5194 0.9103 0.6837 0.4542 1.0676 1.2870 1.2390 0.9095 1.1120 0.9564 Leucine Leucine 0.8491 1.0639 3.4996 1.7042 0.6030 0.9119 1.2309 1.2643 0.8533 0.9644 0.6147 2.8024 1.8009 0.8166 0.6043 0.7972 0.4801 0.5316 2.3686 3.4956 0.5806 3.8314 0.6258 0.9513 0.6389 0.4168 0.8042 1.0806 0.3916 1.6132 0.7138 0.6328 1.2972 7.0531 1.0072 1.4045 1.1756 0.9310 2.0502 2.1734 2.7359 1.3794 1.8465 1.6158 L-Homoserine Homoserine 0.7800 0.5147 0.7642 1.2544 0.4778 0.7841 0.9531 1.1421 0.8218 0.4255 0.4094 3.6384 1.4005 0.5447 0.7444 1.4618 1.1807 1.7390 1.3128 1.6120 0.9476 1.6288 1.7678 0.9371 1.4171 1.0603 1.1739 0.6480 1.0119 1.2292 0.6866 0.8969 0.9937 1.7866 1.0345 1.4031 0.8009 0.5320 1.1904 1.1933 1.4899 0.7867 1.2084 1.1869 Lysine Lysine 0.7349 1.0306 0.6600 1.2189 0.8326 0.7631 1.2713 1.1220 1.1985 0.5772 0.9339 0.9668 1.1539 0.8077 1.0159 1.0544 1.0040 0.9563 1.0430 1.4093 0.9302 1.3229 0.9437 0.9590 1.0775 0.8965 0.9849 0.6280 1.2914 1.1580 1.0238 0.5831 1.2415 1.1213 1.3179 1.3164 0.6579 0.7334 1.2915 1.0675 1.2766 0.8094 1.0943 0.9279 Methionine Methionine 0.6089 0.7465 0.6088 1.3020 0.5309 0.3255 1.2150 1.1620 0.7320 0.3946 0.4226 4.4867 1.4354 0.6734 1.8217 1.4058 1.4546 1.0292 3.4104 2.4274 2.1781 3.2263 1.2826 1.1631 1.3654 1.3992 0.9534 0.2346 1.9222 0.8420 0.5941 0.5630 0.8056 1.3293 0.9521 1.3375 0.7848 0.7481 1.8044 1.7408 1.4055 1.0327 0.9380 1.1444 N-acetylglutamine N-Acetylglutamine 0.4839 1.0830 0.6310 1.4759 0.7387 0.6118 2.1528 1.9780 1.0851 0.2450 0.6954 3.8251 1.5922 0.3624 0.8190 1.9375 1.6838 0.5555 0.7110 1.2883 1.1292 1.8457 0.8555 2.0610 1.0199 0.4233 0.5842 0.4616 1.9455 1.0710 2.1147 0.4777 0.9078 1.8047 1.6132 1.2996 0.7067 0.4957 1.8877 1.4838 1.4045 0.3581 1.5031 1.1391 NG-monomethyl-L-arginine Targinine 0.6962 0.8425 0.4904 1.2027 0.8505 0.7068 1.6723 1.0558 1.1515 0.7374 0.6289 3.4503 1.7026 0.8471 1.2299 1.3833 0.5278 1.5415 1.7317 2.0683 0.7559 1.9042 0.5279 0.7868 0.9545 0.3867 1.0067 0.3545 0.6701 0.9743 0.6822 0.6322 1.4559 1.5847 1.3741 1.3910 0.7865 0.8833 3.3609 2.2014 1.6982 0.5173 2.2452 1.0525 Ornithine Ornithine 0.5611 1.0367 0.6712 1.2770 0.7984 1.3819 2.3273 2.1805 0.9213 2.2791 1.0504 1.6393 2.0596 1.4357 0.5437 0.6658 0.4012 0.8791 1.1099 2.0919 0.4053 2.2492 0.5304 0.7950 0.6054 0.3322 0.6260 0.2456 0.3489 0.7741 0.5291 0.5191 0.7937 1.3243 3.0120 1.4601 1.5773 1.5382 2.6846 1.7399 2.4981 0.7577 3.3229 1.4907 Phenylalanine Phenylalanine 0.7255 0.9699 1.0029 1.6161 0.6391 0.5809 1.3965 1.3759 0.9848 0.8408 0.7640 3.9975 1.6270 1.0757 1.0114 1.7872 0.8833 1.0060 2.2723 2.8592 0.8976 2.6741 1.1815 1.3457 0.7555 0.8668 0.8638 0.7095 0.7232 1.1144 0.7028 0.7367 1.3110 1.6605 1.2150 1.3659 0.7652 0.9821 1.8549 1.7710 1.6644 1.0345 1.4674 1.2018 Proline Proline 0.5184 1.2733 1.1600 1.1155 1.5605 1.2800 0.6424 1.0039 1.0329 0.8811 0.4749 2.7312 0.9254 0.6740 1.6463 1.2661 1.5488 0.6463 1.0369 0.7598 1.9455 0.8492 0.7245 0.6915 0.2976 0.5053 0.3755 0.4444 2.0106 0.8172 0.4498 1.0670 1.0377 2.2581 0.8918 0.8487 1.1039 1.1216 1.5197 1.1926 0.8841 0.8398 0.7378 1.6112 Propyl-l-carnitine CAR 3:0 0.9607 0.9537 0.9987 0.9768 1.0464 1.0212 1.0121 0.9913 0.9158 1.0761 0.9338 1.0742 0.9511 1.0194 0.9552 0.9393 0.9014 0.8731 0.8297 0.8656 0.9106 1.0138 0.8189 0.8806 0.9023 0.9550 1.0326 0.9287 0.9790 0.8681 0.9645 0.9590 0.9766 1.1550 0.9394 1.0309 1.0338 1.0212 1.0519 1.0921 0.9453 1.0650 0.9961 0.9361 Purine Purine 0.6123 0.8417 0.5573 1.6571 0.6324 0.8186 1.6383 1.0491 0.9309 0.5026 0.5071 4.0171 1.2848 0.7108 0.7242 1.4743 0.6957 0.9017 1.7623 2.4985 0.6685 2.2296 0.8800 1.0287 0.7606 0.6651 0.7684 0.4506 0.7011 0.6568 0.4760 0.4672 1.1618 1.3954 1.2778 0.9670 0.9628 0.7927 1.8635 1.5530 1.2901 1.0393 1.1903 0.8782 Pyridoxine Pyridoxine 0.6483 0.7642 0.7233 1.2792 0.7730 0.5695 1.0719 1.1541 0.8755 0.4446 0.6685 1.4438 1.3508 0.7993 1.1190 1.4314 0.8871 0.8973 1.2862 1.7864 1.1278 1.5728 1.0573 0.7385 1.0947 1.1393 1.0251 0.7627 1.3410 1.2176 0.9490 0.6977 0.9881 1.3596 1.1571 1.2970 0.6216 0.5734 1.2010 1.3280 1.2944 0.8161 1.3026 1.0752 Serine Serine 0.6817 0.7832 0.9007 1.1886 0.6202 0.7908 1.2041 1.4334 0.5633 0.5210 0.5774 0.9184 1.1450 1.0575 1.7308 1.4757 2.5033 1.0927 1.4746 0.9830 1.5758 1.0445 0.8848 0.7709 1.3385 0.9192 0.7969 0.7356 1.6991 0.8938 1.3296 0.9813 0.5163 1.4750 0.7599 1.2107 0.6553 0.8437 1.7990 1.3710 0.9556 0.9542 1.0990 1.4726 Serotonin Serotonin 0.8321 1.7896 0.6780 0.4552 1.0975 0.7449 1.1505 1.2028 1.4752 1.6835 2.4281 1.7094 2.1800 0.8206 0.4960 0.4524 0.5971 0.7780 0.3543 0.7999 1.2429 0.5746 0.7104 0.4214 0.5068 0.3471 0.3515 0.3126 1.0101 0.9447 1.5272 1.4217 0.7880 1.5304 2.9299 7.5333 1.4681 1.0312 1.3235 2.1412 1.9956 0.7292 2.6857 0.9643 Spermine Spermine 0.6276 1.0585 0.6363 2.0387 0.7847 0.6524 1.7176 1.5370 0.9327 0.6104 0.6509 7.3832 1.4390 1.2950 1.3283 1.6775 0.5297 1.0442 1.1868 2.1761 0.7725 1.8944 0.6519 0.5532 0.8962 0.9475 0.6742 0.4351 0.7935 0.7483 0.6302 0.4244 1.1968 1.3146 1.5358 1.4545 0.5204 0.6462 1.3423 2.0557 1.6752 0.9704 2.0794 1.6157 Threonine Threonine 0.7980 0.5942 0.6608 1.2367 0.5585 0.8690 1.2550 1.0391 0.8727 0.3628 0.4274 4.0162 1.2302 0.6613 0.6591 1.4339 1.1882 2.0717 1.3960 1.4949 0.9799 1.7556 1.6021 0.8804 1.3904 0.9156 1.2201 0.5759 0.8732 1.2334 0.6528 0.7276 1.2023 1.8627 1.0576 1.3482 1.0436 0.6404 1.3193 1.2712 1.5961 0.7962 1.0210 1.0775 Thyroxine Thyroxine 1.2092 2.5400 0.9400 1.5167 0.9579 1.2129 0.4764 0.9489 1.0775 1.5269 0.9793 3.7922 1.9947 1.0122 0.7263 0.8164 0.5153 0.3086 1.3585 1.1144 0.4117 1.2902 0.9704 0.1961 0.3925 0.5991 0.8557 0.6234 0.6517 1.4019 0.7393 2.3706 1.7721 2.9259 0.8610 1.3967 0.9807 1.1655 3.0817 2.2918 1.6894 1.0041 1.7453 1.5806 trans-4-hydroxyproline trans-4-Hydroxyproline 1.1334 1.0133 1.1133 0.7867 1.4753 1.0117 0.9002 1.0600 0.9301 1.2356 1.2507 0.9272 0.9468 0.8351 1.1893 1.0793 1.0858 1.1162 1.1177 1.1495 1.2014 0.8300 0.9625 1.3064 1.1654 1.2139 1.1143 1.0737 0.9335 1.0869 1.1373 1.0646 1.0486 1.1510 1.2030 0.9399 1.1384 1.1325 1.0562 0.8997 0.9606 1.1657 1.0997 1.0318 Trimethylamine-N-oxide Trimethylamine N-oxide 2.6138 0.8889 0.5943 0.1262 0.6973 0.3509 1.0057 2.2752 2.5252 1.5718 1.2642 1.4648 1.1248 0.6854 0.6090 0.6623 0.1433 0.0448 0.2186 0.7829 0.1865 0.4019 0.2062 0.1613 0.8563 0.4419 0.2047 0.2088 0.3765 0.4410 0.8161 0.4890 0.8086 3.4390 3.1180 0.8150 0.6716 4.1411 3.7209 2.1118 1.0055 1.1398 0.3623 0.2522 Tryptophan Tryptophan 0.9874 1.0412 0.9469 1.6872 0.7547 0.5950 2.3178 1.8736 0.9233 0.9699 1.1091 3.8081 2.0073 1.4992 0.2590 1.2330 0.6374 0.8241 2.1068 2.7390 0.5974 2.2173 0.9505 0.5741 0.6201 0.5566 0.7815 0.3467 0.3652 1.3222 0.5773 0.8537 1.0182 2.4800 1.7603 1.4228 1.4051 1.2132 1.7740 2.6090 1.7502 1.3230 3.0740 1.4661 Tyrosine Tyrosine 0.9228 0.8337 0.7946 1.1799 0.6704 0.5264 2.4619 2.0382 0.8479 0.6054 0.9328 4.7680 2.2398 1.1057 1.3372 0.9624 0.6328 1.2490 2.2780 1.8768 0.7348 2.3150 0.9988 0.6032 1.0034 0.7519 0.8722 0.4209 0.5625 1.0646 0.4577 0.3854 0.7662 1.4452 1.7037 0.9208 1.0944 0.7900 1.8692 2.0966 1.5886 1.1506 2.2677 0.9850 Valine Valine 1.0939 1.0446 1.5309 1.6765 0.7670 0.9144 1.3015 1.4912 1.0304 0.9261 0.6857 1.9606 1.6504 0.9976 0.6394 0.7367 0.3952 0.5543 1.2006 2.1123 0.4788 1.7317 0.5884 1.0545 0.7964 0.4394 0.8398 0.9349 0.3541 2.0754 0.8224 0.6241 1.9007 1.7163 0.9911 1.6951 1.3716 1.0796 1.9756 1.9673 2.0828 1.4233 1.3834 1.3018 α-keto-β-methylvaleric-acid 3-Methyl-2-oxovaleric acid 0.9900 0.8897 0.8968 0.4762 0.6621 1.0299 0.8438 1.0777 0.9860 1.2408 0.8872 1.2413 1.0217 0.8066 0.9194 1.2917 0.7229 0.7155 0.8308 1.1441 1.1721 0.9313 1.0792 0.6695 0.9374 1.0124 0.7469 0.8653 0.9657 0.8218 0.9481 0.7333 1.0619 0.8730 0.8283 0.6592 0.8341 0.9568 0.7437 0.8225 0.8511 1.1524 1.1899 1.0977 α-keto-δ-NG-NG-dimethylguanidino-valeric-acid Melibiose 0.8153 1.1555 0.6907 1.5875 0.7980 1.7460 2.2241 0.8492 0.6578 2.2159 0.7018 16.4413 0.4834 2.4497 1.0382 1.3405 0.4555 0.3631 0.4266 1.8926 0.9613 0.2732 0.8849 0.2117 0.2209 0.5757 0.4260 0.2310 0.3228 0.3113 0.2781 0.3616 0.5707 0.8779 0.4326 0.5296 1.9300 1.7516 2.0661 0.9423 0.8380 0.4526 5.4142 0.6598 β-aminoisobutyric-acid beta-Aminoisobutyric acid 1.1422 0.8193 1.1035 0.9429 0.5949 0.9665 0.7245 1.0054 2.3948 0.4211 0.6565 1.3015 2.4284 0.8095 1.1997 0.5934 0.7843 1.0205 2.8409 0.5527 1.0027 2.3012 0.8397 0.9005 1.7350 0.5395 0.7417 1.8471 0.5791 0.6830 0.4081 0.1252 0.6756 0.8459 1.3802 2.5686 0.6295 0.3305 0.9781 1.6296 1.7298 0.6744 1.9888 0.5918