#METABOLOMICS WORKBENCH JFerguson_20211213_083800 DATATRACK_ID:2979 STUDY_ID:ST002017 ANALYSIS_ID:AN003287 PROJECT_ID:PR001281 VERSION 1 CREATED_ON December 17, 2021, 6:05 am #PROJECT PR:PROJECT_TITLE ABO Metabolomics PR:PROJECT_SUMMARY We profiled plasma and stool metabolites in 75 healthy individuals in a PR:PROJECT_SUMMARY cross-sectional study design. PR:INSTITUTE Vanderbilt University Medical Center PR:LAST_NAME Ferguson PR:FIRST_NAME Jane PR:ADDRESS 2220 Pierce Ave, PRB 354, Nashville, TN, 37232, USA PR:EMAIL jane.f.ferguson@vumc.org PR:PHONE 6158759896 #STUDY ST:STUDY_TITLE Multi-omic analysis of the microbiome and metabolome in healthy subjects (blood) ST:STUDY_SUMMARY We conducted multi-omic phenotyping of healthy individuals, in order to ST:STUDY_SUMMARY investigate the interaction between diet, the microbiome, and the metabolome in ST:STUDY_SUMMARY a cross-sectional sample. We applied metabolomic profiling (at Metabolon Inc.) ST:STUDY_SUMMARY to plasma and stool samples in a subset of individuals (N=75). ST:INSTITUTE Vanderbilt University Medical Center ST:LAST_NAME Ferguson ST:FIRST_NAME Jane ST:ADDRESS 2220 Pierce Ave, PRB 354, Nashville, TN, 37232, USA ST:EMAIL jane.f.ferguson@vumc.org ST:PHONE 6158759896 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 18-50 SU:GENDER Male and female #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 008 Sex:Female SUBJECT_SAMPLE_FACTORS - 011 Sex:Female SUBJECT_SAMPLE_FACTORS - 014 Sex:Male SUBJECT_SAMPLE_FACTORS - 017 Sex:Female SUBJECT_SAMPLE_FACTORS - 018 Sex:Male SUBJECT_SAMPLE_FACTORS - 023 Sex:Male SUBJECT_SAMPLE_FACTORS - 027 Sex:Male SUBJECT_SAMPLE_FACTORS - 029 Sex:Female SUBJECT_SAMPLE_FACTORS - 033 Sex:Female SUBJECT_SAMPLE_FACTORS - 034 Sex:Female SUBJECT_SAMPLE_FACTORS - 035 Sex:Male SUBJECT_SAMPLE_FACTORS - 039 Sex:Male SUBJECT_SAMPLE_FACTORS - 040 Sex:Female SUBJECT_SAMPLE_FACTORS - 041 Sex:Female SUBJECT_SAMPLE_FACTORS - 042 Sex:Male SUBJECT_SAMPLE_FACTORS - 045 Sex:Male SUBJECT_SAMPLE_FACTORS - 046 Sex:Female SUBJECT_SAMPLE_FACTORS - 047 Sex:Female SUBJECT_SAMPLE_FACTORS - 048 Sex:Male SUBJECT_SAMPLE_FACTORS - 055 Sex:Female SUBJECT_SAMPLE_FACTORS - 058 Sex:Male SUBJECT_SAMPLE_FACTORS - 061 Sex:Female SUBJECT_SAMPLE_FACTORS - 064 Sex:Male SUBJECT_SAMPLE_FACTORS - 066 Sex:Male SUBJECT_SAMPLE_FACTORS - 068 Sex:Male SUBJECT_SAMPLE_FACTORS - 070 Sex:Female SUBJECT_SAMPLE_FACTORS - 071 Sex:Female SUBJECT_SAMPLE_FACTORS - 073 Sex:Male SUBJECT_SAMPLE_FACTORS - 074 Sex:Male SUBJECT_SAMPLE_FACTORS - 075 Sex:Female SUBJECT_SAMPLE_FACTORS - 076 Sex:Female SUBJECT_SAMPLE_FACTORS - 077 Sex:Male SUBJECT_SAMPLE_FACTORS - 078 Sex:Male SUBJECT_SAMPLE_FACTORS - 080 Sex:Female SUBJECT_SAMPLE_FACTORS - 081 Sex:Female SUBJECT_SAMPLE_FACTORS - 083 Sex:Female SUBJECT_SAMPLE_FACTORS - 084 Sex:Female SUBJECT_SAMPLE_FACTORS - 085 Sex:Male SUBJECT_SAMPLE_FACTORS - 088 Sex:Female SUBJECT_SAMPLE_FACTORS - 089 Sex:Female SUBJECT_SAMPLE_FACTORS - 090 Sex:Male SUBJECT_SAMPLE_FACTORS - 091 Sex:Male SUBJECT_SAMPLE_FACTORS - 092 Sex:Female SUBJECT_SAMPLE_FACTORS - 093 Sex:Female SUBJECT_SAMPLE_FACTORS - 094 Sex:Female SUBJECT_SAMPLE_FACTORS - 098 Sex:Male SUBJECT_SAMPLE_FACTORS - 099 Sex:Female SUBJECT_SAMPLE_FACTORS - 100 Sex:Female SUBJECT_SAMPLE_FACTORS - 101 Sex:Male SUBJECT_SAMPLE_FACTORS - 102 Sex:Female SUBJECT_SAMPLE_FACTORS - 103 Sex:Female SUBJECT_SAMPLE_FACTORS - 104 Sex:Female SUBJECT_SAMPLE_FACTORS - 106 Sex:Male SUBJECT_SAMPLE_FACTORS - 107 Sex:Female SUBJECT_SAMPLE_FACTORS - 108 Sex:Male SUBJECT_SAMPLE_FACTORS - 109 Sex:Female SUBJECT_SAMPLE_FACTORS - 110 Sex:Male SUBJECT_SAMPLE_FACTORS - 111 Sex:Female SUBJECT_SAMPLE_FACTORS - 112 Sex:Male SUBJECT_SAMPLE_FACTORS - 115 Sex:Female SUBJECT_SAMPLE_FACTORS - 116 Sex:Female SUBJECT_SAMPLE_FACTORS - 117 Sex:Female SUBJECT_SAMPLE_FACTORS - 118 Sex:Female SUBJECT_SAMPLE_FACTORS - 119 Sex:Male SUBJECT_SAMPLE_FACTORS - 120 Sex:Female SUBJECT_SAMPLE_FACTORS - 121 Sex:Male SUBJECT_SAMPLE_FACTORS - 122 Sex:Male SUBJECT_SAMPLE_FACTORS - 124 Sex:Female SUBJECT_SAMPLE_FACTORS - 125 Sex:Male SUBJECT_SAMPLE_FACTORS - 126 Sex:Female SUBJECT_SAMPLE_FACTORS - 128 Sex:Female SUBJECT_SAMPLE_FACTORS - 129 Sex:Female SUBJECT_SAMPLE_FACTORS - 130 Sex:Male SUBJECT_SAMPLE_FACTORS - 132 Sex:Female SUBJECT_SAMPLE_FACTORS - 133 Sex:Female #COLLECTION CO:COLLECTION_SUMMARY Participants provided a fasting blood sample (following a 12-hour overnight CO:COLLECTION_SUMMARY fast). CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY Cross-sectional study, no treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma was extracted from whole blood collected in edta tubes. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME Metabolon LC-MS CH:COLUMN_NAME Metabolon #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Other MS:MS_TYPE Other MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Metabolon #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS scaled imputed MS_METABOLITE_DATA_START Samples 008 011 014 017 018 023 027 029 033 034 035 039 040 041 042 045 046 047 048 055 058 061 064 066 068 070 071 073 074 075 076 077 078 080 081 083 084 085 088 089 090 091 092 093 094 098 099 100 101 102 103 104 106 107 108 109 110 111 112 115 116 117 118 119 120 121 122 124 125 126 128 129 130 132 133 Factors Sex:Female Sex:Female Sex:Male Sex:Female Sex:Male Sex:Male Sex:Male Sex:Female Sex:Female Sex:Female Sex:Male Sex:Male Sex:Female Sex:Female Sex:Male Sex:Male Sex:Female Sex:Female Sex:Male Sex:Female Sex:Male Sex:Female Sex:Male Sex:Male Sex:Male Sex:Female Sex:Female Sex:Male Sex:Male Sex:Female Sex:Female Sex:Male Sex:Male Sex:Female Sex:Female Sex:Female Sex:Female Sex:Male Sex:Female Sex:Female Sex:Male Sex:Male Sex:Female Sex:Female Sex:Female Sex:Male Sex:Female Sex:Female Sex:Male Sex:Female Sex:Female Sex:Female Sex:Male Sex:Female Sex:Male Sex:Female Sex:Male Sex:Female Sex:Male Sex:Female Sex:Female Sex:Female Sex:Female Sex:Male Sex:Female Sex:Male Sex:Male Sex:Female Sex:Male Sex:Female Sex:Female Sex:Female Sex:Male Sex:Female Sex:Female 1-(1-enyl-oleoyl)-2-linoleoyl-GPE (P-18:1/18:2)* 1.0298 0.6556 1.2305 0.9633 0.5742 1.4958 0.7558 1.8702 1.1050 1.0612 0.5426 0.5027 0.5801 2.1553 1.2903 0.7420 1.0240 1.3987 0.9806 0.9388 1.2946 0.8102 0.7999 1.2301 0.8562 0.7735 1.6534 0.8665 1.4922 1.0570 0.9530 0.9140 0.5789 0.7034 1.1748 1.1119 0.6606 0.8732 0.9387 1.0932 1.8439 0.7312 0.9365 0.6347 0.9187 0.8187 1.0807 2.2143 0.6604 0.6033 1.0088 1.4750 2.1130 0.6396 1.2189 1.1900 1.0623 1.6023 1.6048 0.2985 0.7417 1.5363 0.9907 0.9769 1.1346 1.1311 1.1137 1.0000 1.5988 0.7992 1.3628 1.1456 0.5675 0.6072 1.1563 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0.5606 0.4004 0.6593 0.6833 1.0738 1.3470 1.0000 1.2597 1.2334 1.7185 0.6070 0.7546 0.6539 1.6522 1.1276 0.8564 1.1049 1.2974 0.9178 1.3343 1.0973 0.7567 1.2009 1.3520 1.2563 1.0289 1.1516 0.7454 0.7788 1.4551 1.5064 1.1914 0.8613 0.7125 1.1403 0.7134 1.0170 0.8054 1.5691 1.9910 1.3766 1.1646 0.7881 1.4720 1.2061 0.9500 0.5298 1.7836 0.9612 0.5082 0.3602 1.2336 0.8922 0.6665 0.7587 1.0876 1.4550 1.5720 0.6990 0.5728 0.8214 0.9486 0.5474 0.8332 0.4629 1.2212 0.9748 1.0958 1.2252 0.5750 2.2080 0.8109 0.5785 1.1337 0.5914 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 1.0084 0.5955 0.9111 0.6151 0.7980 0.7517 0.9066 1.3046 1.0427 1.1275 0.5543 0.8584 0.6323 0.9316 1.2317 1.0255 1.0597 0.6791 1.1069 1.2010 0.9365 0.7760 1.1428 1.0217 0.9586 0.9715 0.8112 1.4278 0.8829 1.0844 1.2591 1.5168 1.0918 1.1319 1.0436 1.0009 0.8594 1.1843 0.7616 1.4785 1.0000 0.9143 1.0838 0.8947 1.2656 0.6431 1.1364 1.4229 0.6982 0.9818 0.6562 1.1515 0.5618 0.7967 1.1342 1.0582 1.8885 1.3788 0.8450 0.7457 1.3989 0.6486 0.7601 1.0752 0.6793 1.4603 1.8287 1.3299 2.0992 0.9336 1.4874 0.8896 0.8143 0.9602 0.7241 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 0.9071 0.4482 0.6763 0.8328 0.6961 1.1204 1.1463 1.7402 1.1431 1.9341 0.5078 0.5849 0.5429 1.0000 1.6498 0.8162 1.1198 0.6371 0.9480 1.4726 1.1187 0.7562 1.2874 1.4731 1.0328 0.8545 0.8114 1.0820 1.8721 1.2110 1.2073 2.0019 0.8363 0.8128 1.4383 1.4813 0.7234 1.5599 0.6921 1.7117 1.3731 0.7275 0.4554 1.1960 1.6315 0.7170 0.7569 2.1020 0.6780 0.4672 0.8082 1.6886 0.6511 0.6196 1.1782 1.5005 1.6627 1.3170 1.9650 0.6179 0.8716 0.9265 0.7733 1.1104 0.7654 2.1205 1.6056 1.1592 1.9277 0.7684 2.7969 0.6382 0.9736 0.7702 0.9642 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1.1801 0.8546 1.0206 0.8930 0.7742 0.6184 0.8645 1.1719 0.8760 1.1392 0.6270 0.7040 0.7743 1.4098 0.9558 0.8338 1.0628 1.0999 1.0812 1.0290 0.9611 0.7451 1.0931 0.6047 1.0430 0.9906 1.2141 1.1976 0.7801 0.9771 1.4167 1.2752 0.6805 1.0256 0.9129 1.1185 1.0301 1.0428 1.1254 1.1222 1.0755 0.7028 0.9123 0.6770 1.1063 0.7147 1.0921 1.2517 0.7056 0.5696 0.6458 1.1136 1.0553 0.5440 0.7815 0.8961 1.2166 1.5249 0.9404 0.7506 1.3872 1.1723 0.6875 0.6223 1.0000 1.0883 1.2511 1.1544 1.3674 0.9314 1.1580 1.0212 0.5526 0.9338 0.9964 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 0.8723 0.4407 0.8641 0.7614 0.5319 1.0272 1.1240 1.4023 1.0502 1.4402 0.4558 0.4616 0.4831 1.1236 1.5026 0.5355 1.2710 1.0563 1.0000 1.4164 1.2126 0.6645 1.4517 1.1201 1.1965 0.7900 1.1297 1.2686 1.4925 0.7386 0.7475 1.5774 0.6320 0.5739 1.0580 1.4359 0.6519 1.1649 0.5774 1.1865 1.4124 0.4769 0.4247 0.6519 1.3299 0.7053 0.7241 1.7736 0.6401 0.4821 0.7954 1.5696 1.0903 0.4538 0.9573 1.4042 1.3137 1.2281 2.5853 0.4111 0.6280 1.3545 0.7382 0.9212 0.8945 1.6792 1.1830 0.8467 1.6148 0.6386 2.2328 0.7693 0.5862 0.4922 1.2648 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1.3258 1.0242 1.0042 0.9678 1.1424 0.5427 0.6548 1.1996 1.1527 0.8147 0.4944 0.8222 0.6945 1.5256 0.9615 0.8505 1.1379 1.2315 1.0857 1.1676 0.8068 0.7805 0.9570 0.5441 0.9248 0.9231 1.6056 1.0991 0.7116 1.2686 1.8402 1.0000 0.7891 1.2241 1.0247 0.9938 1.3280 0.7635 1.4224 1.1269 1.4080 0.8859 1.2222 0.7233 0.8674 0.6790 1.3073 1.0985 0.7352 0.6181 0.8020 1.1304 1.0990 0.5118 0.8543 1.0389 1.3059 1.7765 0.6525 0.9154 1.8974 1.0669 0.7977 0.6224 0.9424 0.9906 1.1983 1.1830 1.4507 1.3495 0.9629 1.0485 0.5802 1.2855 0.7633 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 0.9374 0.5382 1.0000 0.7881 0.6257 1.1173 0.8574 1.2547 1.1525 0.9265 0.5437 0.4827 0.6744 1.1462 1.3761 0.7278 1.3637 1.2833 0.8912 1.2867 0.8530 0.7700 1.1566 1.3791 0.9274 0.7442 0.9112 1.2782 1.4482 1.0234 1.2159 1.6645 0.6242 0.6255 1.1452 1.0483 1.0401 1.1904 1.0424 1.0695 1.4374 0.7196 0.6565 0.7209 1.0139 0.8603 0.8127 1.3452 0.7210 0.5880 0.8639 1.2029 1.4303 0.6597 0.8534 0.9861 1.5351 1.1816 1.5596 0.6166 0.7990 1.6932 1.0002 1.2247 1.0474 1.1829 1.0639 0.7459 1.6363 0.9939 1.6613 0.8718 0.5871 0.7384 0.9760 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 1.2087 0.8506 1.1987 0.8400 0.8981 0.7678 0.4987 1.2656 1.1571 1.1183 0.6231 0.8264 0.8690 1.1123 1.0867 0.9596 1.2777 0.9454 1.0950 1.1833 0.7188 1.0073 1.0051 0.9003 0.8282 1.2312 1.3473 1.4770 0.7541 1.1108 1.6494 1.3027 0.7355 1.1783 1.0775 1.0000 1.3694 0.9273 1.4114 1.0212 1.1413 0.9886 1.5026 0.6745 0.8787 0.6174 1.2982 1.0945 0.6936 0.8267 0.8316 1.2831 0.9420 0.6809 0.7680 1.1762 1.4755 1.4795 0.5827 0.8286 2.2753 0.6400 0.7351 0.8660 0.8858 0.9258 1.3937 1.4070 1.2098 1.2179 0.9545 0.9043 0.5475 1.5163 0.7266 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 1.1307 0.9566 0.9199 1.0420 1.2331 0.7212 0.6888 1.0533 1.0485 0.9462 0.7119 0.8158 0.8105 1.3614 1.1496 0.9985 1.3619 0.6683 1.1843 1.3811 0.9648 0.8445 1.0325 0.9049 0.8763 0.9255 1.2719 1.3552 0.8909 1.2089 1.7766 1.3306 0.9641 1.1590 1.2194 1.2378 1.2908 0.8645 1.0286 1.2832 1.3039 0.9528 1.2416 0.7870 0.9632 0.6508 1.4642 1.3861 0.7531 0.8930 0.7088 1.1006 0.6344 0.7942 1.0000 0.9377 1.2544 1.6483 0.7344 0.7310 1.8840 0.6135 0.7581 0.8188 0.9856 1.0316 1.3954 1.2100 1.0261 1.2729 1.1835 0.8080 0.7201 1.3437 0.8174 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 0.4456 0.4330 1.0361 0.6208 1.7210 0.8017 0.9468 0.9226 0.8999 1.3608 0.5934 1.1236 0.5169 1.5126 1.4372 1.1546 1.1127 0.8553 1.4135 1.0348 1.2018 0.6479 1.2789 0.9341 1.1097 1.0647 1.0205 1.1221 0.4848 1.0691 1.7445 1.2354 1.1111 0.7504 1.0229 0.7680 1.0000 0.6914 1.1320 1.1402 1.5188 1.2384 1.1967 0.9634 0.9699 0.9167 0.4943 1.2725 1.0099 0.9661 0.3943 0.8139 0.5440 0.6840 0.7925 0.8038 1.9107 1.7854 0.7933 0.4692 1.1514 0.7239 0.4866 0.7026 0.3784 1.3105 1.3016 1.0000 1.0543 0.6355 1.2337 0.7574 0.7762 1.1667 0.6045 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 0.5522 0.4700 0.7847 0.7711 1.1503 1.3686 1.0865 1.1874 1.1163 1.9424 0.8134 0.7863 0.7859 1.2980 1.3062 1.0000 1.2184 0.7542 0.9326 1.5695 1.1601 0.7827 1.4462 1.4590 1.0551 1.0544 1.0225 0.7014 0.9830 1.3891 1.5377 1.6760 1.0033 0.6727 1.1388 0.9297 0.9560 0.9473 1.0253 1.6142 1.3188 1.1292 0.7545 1.6002 1.3664 0.8533 0.5447 1.7412 0.9417 0.6297 0.4073 1.1370 0.5723 0.8508 0.8826 1.1552 1.3174 1.2692 1.0050 0.5767 0.8896 0.7656 0.5895 0.8216 0.5738 1.1955 1.0951 0.8703 0.9465 0.6138 2.2527 0.7556 0.7882 1.3118 0.6405 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 1.0110 0.4098 0.9484 0.6665 0.6862 1.0664 0.9466 1.7873 1.1744 1.3490 0.5550 0.5104 0.5255 0.9808 1.1282 1.1510 1.1216 0.5576 0.8190 1.3106 0.9267 0.7422 1.2541 1.1462 0.8147 0.7067 0.8482 1.2424 1.3090 1.5436 1.3317 1.8091 1.0095 0.8533 1.2270 1.3604 0.7461 1.2674 0.8753 1.6477 1.4576 0.9493 0.6064 1.1061 1.2474 0.8493 0.9199 2.1505 0.6230 0.6405 0.7994 1.1852 0.4917 0.7676 1.0872 1.4760 1.6689 1.2813 1.1159 0.5715 0.9126 0.7624 0.6888 1.1577 0.6660 1.6990 2.3731 1.3345 1.9301 0.6473 2.2117 1.0000 0.6636 0.6720 0.7657 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 0.8735 0.4810 1.1605 0.9371 0.5457 1.1869 0.8889 1.5029 1.1317 1.0530 0.5498 0.3559 0.4899 1.4578 1.0698 0.5701 1.3851 1.0849 0.8970 1.0125 1.0012 0.6962 1.1316 1.1711 0.9570 0.5866 1.4280 1.2865 1.1249 0.8439 1.0194 1.3633 0.5561 0.6094 1.0548 1.3167 0.8079 0.8259 0.9073 1.0386 1.6053 0.6272 0.5375 0.5491 0.9252 1.0000 0.8694 1.9706 0.6423 0.6692 0.8364 1.1279 1.1610 0.5316 0.7755 1.1080 1.2046 1.1041 1.4698 0.3105 0.5735 1.5781 0.7302 0.9842 1.0652 1.0949 1.2182 0.8307 1.3612 0.5528 1.4426 1.0188 0.4810 0.4660 1.1853 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 1.0000 0.4933 1.1007 0.7979 0.6610 1.2059 0.7666 1.4524 1.4848 0.8354 0.4755 0.3470 0.6964 1.3093 1.1455 0.7261 1.6366 0.8432 0.8929 1.2244 0.7705 0.7699 1.1438 1.4487 0.8626 0.5270 1.1166 1.4133 1.2338 1.1541 1.2373 1.5265 0.6198 0.6296 1.3389 1.2857 0.9433 1.0525 1.1245 1.2464 1.9725 0.7678 0.6793 0.5896 0.8902 1.0782 0.9359 2.1988 0.5972 0.7982 0.7415 0.9460 1.2168 0.6240 0.9096 0.9916 1.9097 1.1909 1.1706 0.4211 0.7791 1.4360 1.0841 1.3578 1.0435 1.1432 1.2789 0.8814 1.7329 0.8634 1.2937 1.0679 0.5694 0.5953 0.9307 1-(1-enyl-stearoyl)-GPE (P-18:0)* 0.5103 0.4663 0.9614 0.7077 1.3878 1.2784 1.0933 1.3465 1.3463 1.6665 0.8071 0.7776 0.6880 1.4765 1.0961 1.0865 1.3073 0.7410 0.9463 1.4666 1.1973 0.7278 1.5174 1.2168 1.0132 1.0000 1.3003 0.7797 0.6831 1.6224 1.6057 1.3798 1.0293 0.7718 1.0954 1.0090 0.9150 0.8824 1.3144 1.6767 1.6259 1.2834 0.8564 1.5985 1.3345 1.0130 0.5048 2.0158 0.9633 0.6966 0.4665 0.9395 0.5299 0.8394 0.8621 1.2161 1.5475 1.2990 0.8081 0.4840 0.7908 0.7267 0.5884 0.8134 0.5266 1.2048 1.4155 0.9955 0.9931 0.5277 2.0151 0.9577 0.7759 1.1415 0.5745 1,2,3-benzenetriol sulfate (1) 0.3660 0.3660 0.3660 1.6636 0.3660 0.3660 0.3660 0.3734 0.3660 1.8855 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 5.3392 0.6097 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.8080 0.3660 0.3660 0.3660 0.3660 1.3934 0.3660 2.7319 0.3660 0.3660 3.5529 0.3660 0.3660 0.3660 4.5673 1.0900 0.3660 0.3660 0.7520 0.4912 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.8767 0.3660 0.9100 0.3660 0.5573 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 9.0702 0.3660 1,2,3-benzenetriol sulfate (2) 0.2143 0.0945 1.4834 10.5754 0.0945 1.5809 0.5528 4.6413 0.0945 11.1424 0.1946 0.6869 0.5027 0.2958 0.3042 0.1800 0.0945 1.2819 0.1394 0.1249 0.9299 28.9277 15.1269 1.3235 3.3175 0.2100 0.6465 2.6613 1.3123 0.9052 10.3623 0.0945 0.0945 0.1522 4.2616 11.6038 2.1769 33.1138 1.1108 0.0945 36.9492 0.4173 0.0945 2.3204 25.1705 6.0234 0.3361 0.0945 5.2614 3.2881 0.0945 2.1296 0.5546 0.1775 0.1774 0.0945 3.8990 0.4761 23.0797 0.0945 6.0434 0.5106 0.7302 1.0368 0.3233 1.0000 0.3336 0.8177 0.5233 0.0945 0.0945 0.3014 0.0945 19.6439 0.0968 1,2-dilinoleoyl-GPC (18:2/18:2) 1.1067 0.9216 1.2774 1.3361 0.6255 0.9396 1.4204 1.2171 0.5910 1.2344 1.0900 0.7405 0.6020 1.4161 1.1182 1.0209 1.0590 2.0806 1.1156 0.7335 1.3508 1.0000 1.2505 1.1122 1.0758 0.7694 1.3452 1.2651 0.8613 1.1769 1.3909 1.0201 0.6636 0.6478 0.7065 0.9883 0.9843 0.9381 1.2912 0.8301 1.0862 0.8578 0.6158 0.3886 0.7943 2.0529 0.6926 0.7909 1.5605 1.0892 0.6801 1.0946 1.7645 0.7295 0.6534 1.0215 0.9118 1.0935 1.6541 0.4677 0.8288 2.0405 1.0478 0.9198 1.6711 0.9808 0.8866 0.8079 0.9459 0.5610 1.3324 0.9787 0.6025 0.8872 1.9480 1,2-dilinoleoyl-GPE (18:2/18:2)* 1.3003 1.5345 0.9065 2.9297 0.1953 0.6586 1.2111 0.1953 0.1953 0.6873 2.1579 0.1953 0.1953 1.7765 0.1953 0.5214 0.1953 2.5746 0.1953 0.1953 0.6254 0.7216 1.1378 1.2327 0.1953 0.1953 1.0000 0.1953 0.6760 1.1326 0.1953 0.1953 0.1953 0.5123 0.1953 0.5328 0.5285 0.1953 0.7037 0.1953 0.4142 0.1953 0.1953 0.1953 0.1953 2.8859 0.1953 0.1953 1.2047 1.7241 0.1953 0.1953 4.4177 0.7601 0.1953 0.1953 0.1953 0.5334 1.5914 0.1953 0.1953 1.4290 0.6894 0.6994 6.5276 0.1953 0.1953 0.6670 0.1953 0.1953 0.1953 0.3221 0.1953 1.4345 1.8491 1,2-dipalmitoyl-GPC (16:0/16:0) 1.0679 1.0073 0.8455 1.1458 1.2034 0.8225 0.8308 0.9639 1.0688 1.1323 0.8685 0.9053 0.8508 0.9725 1.1415 1.0410 1.2377 1.1445 1.1135 1.0777 0.9674 0.9468 0.9094 1.1649 0.9134 0.9810 0.8864 1.0198 0.9634 0.9031 1.2281 1.1991 0.8881 0.8296 1.1653 1.0020 1.2800 0.9877 1.1186 1.0423 1.0327 0.9345 0.9279 1.0793 0.9089 0.8956 1.0195 0.8953 0.9279 1.0000 0.9040 1.1254 0.7011 0.9537 0.8683 1.1581 1.0482 1.0239 0.9096 1.1352 1.3368 0.7587 0.9919 0.9354 1.0034 0.9276 1.0364 1.0832 1.0889 1.0264 1.1935 0.9004 0.9154 1.2269 0.9488 1,2-dipalmitoyl-GPE (16:0/16:0)* 1.5204 2.4393 0.9871 0.9601 1.0903 0.4805 0.4805 0.4805 0.8082 0.4805 0.6131 0.4805 0.4805 0.9413 1.3377 1.4822 0.4805 0.4805 0.4805 0.4805 0.4805 0.7016 0.4805 1.3435 0.4805 0.4805 0.4805 0.4805 0.9898 0.7878 0.5519 0.4805 1.0127 0.5376 0.6741 0.4805 1.4277 0.4805 0.4805 0.4805 0.6548 0.4805 0.4805 0.4805 0.4805 0.4805 1.3472 0.4805 0.4805 1.5320 0.7810 0.4805 0.4805 1.9230 0.7384 0.4805 0.4805 0.7875 0.4805 1.5015 1.0000 0.4805 1.0622 1.1649 1.6262 0.4805 0.4805 0.4805 0.4805 1.3507 0.4805 0.4805 0.4805 1.9775 0.8195 1,3,7-trimethylurate 0.1015 1.2727 0.7774 1.3865 0.4406 0.2366 0.1015 0.1015 0.1015 0.1015 0.1015 0.1015 0.1015 0.1015 0.1015 0.1015 0.1015 0.8954 0.1015 0.5262 0.1015 0.1015 1.6820 2.0959 5.0353 0.1015 0.1015 8.3768 0.3765 0.1015 1.1046 0.1015 0.1015 0.1015 0.1074 0.4864 0.7300 0.1462 0.8212 0.1015 0.1015 0.1015 1.3462 0.2616 0.1015 1.6109 0.1015 0.1015 0.2725 0.2512 0.1015 0.3568 2.5956 0.1015 2.2268 0.1015 0.1015 0.1015 3.5738 0.1015 3.4134 0.1015 1.2562 7.6947 3.7350 0.1015 0.1015 0.8778 0.1015 2.2407 0.1015 0.1015 0.1015 0.1015 0.1015 1,3-dimethylurate 0.2659 1.5618 0.3755 1.1002 0.4409 0.8412 0.1509 0.1509 0.1509 0.1509 0.2405 0.1509 0.1509 0.1509 0.1509 0.1509 0.1509 2.9169 0.9364 1.1658 0.1509 0.1509 0.7698 2.2061 3.5348 0.2755 0.3832 3.8000 0.2868 1.0636 1.1918 0.1509 0.1509 0.3379 0.2972 0.3421 1.3117 0.1509 2.6149 0.1509 0.1509 0.3839 2.7696 0.4253 0.3064 2.9561 0.2136 0.1509 0.3863 1.1717 0.1509 0.2776 2.0091 0.1509 1.6643 0.1509 0.2686 0.1509 2.3018 0.2519 2.4077 0.1509 1.1101 2.1652 2.8937 0.1509 0.1509 1.0827 0.1509 2.2471 0.1509 0.1509 0.3535 0.1509 0.1509 1,5-anhydroglucitol (1,5-AG) 1.0992 0.9232 1.2028 0.9296 0.9595 1.4673 2.2725 0.9683 0.6915 1.1018 1.5643 1.1228 1.2348 0.7548 1.2695 1.0193 0.8191 0.9641 1.3235 0.7231 1.4669 0.9919 1.1761 0.3599 1.2713 1.2286 0.4825 0.7241 0.8707 1.0403 0.7778 1.1710 1.0854 1.0000 0.8385 0.8526 0.9676 1.1481 0.6247 0.9038 0.9811 1.0424 1.1808 0.8760 0.8380 0.9326 0.9033 0.6428 1.4860 1.1119 0.8627 1.2637 0.5074 1.5804 1.0336 1.3858 0.6180 1.0785 1.0658 0.7355 0.9520 0.6746 1.2983 0.4163 1.4294 1.0537 1.4769 0.9799 1.1096 0.6574 1.0844 1.1931 0.9635 0.9443 1.3000 1,7-dimethylurate 0.4807 2.2962 1.6459 1.6988 1.7250 1.4148 0.0477 0.1877 0.2086 0.4101 0.3766 0.0477 0.0477 0.0477 0.0477 0.0477 0.1593 4.3430 1.4032 2.1001 0.4373 0.1508 4.7507 5.1654 8.5781 0.7396 0.9987 8.1310 1.3417 1.0013 3.8459 0.0477 0.0902 0.5766 0.7654 1.0669 1.7740 0.6215 3.6408 0.2137 0.6780 0.9898 4.6807 1.4105 0.5736 6.2281 0.4376 0.1777 1.0521 1.5092 0.1038 1.2880 1.9552 0.1665 4.7075 0.5450 0.5365 0.1125 7.9418 0.3767 5.3876 0.4911 2.2904 10.2421 3.8066 0.0779 0.0477 2.1514 0.1356 4.9930 0.0477 0.3554 0.5372 0.0477 0.0831 10-heptadecenoate (17:1n7) 1.5168 1.1553 1.0715 1.1131 0.6837 0.9048 0.2520 1.2052 2.0886 0.8918 1.0909 0.7179 1.7882 1.0613 1.4216 1.3340 1.2286 0.7495 0.7110 0.7031 1.5497 1.0503 1.4722 1.0000 0.7131 1.5467 1.0569 1.0520 1.0117 0.7742 1.4772 0.9164 0.7205 1.1157 2.0024 0.7178 1.4341 0.6654 1.4961 1.1742 0.9214 0.6382 1.2317 0.9687 2.1211 0.3664 1.2270 0.3689 0.5605 0.5573 0.9686 1.9703 0.2784 1.9154 1.2267 0.9241 0.5132 1.2997 0.2946 1.3611 2.6128 0.2317 0.6364 0.8455 0.3961 0.3561 0.9073 1.3868 0.9217 1.2502 0.3376 0.7632 0.9581 2.0142 0.6086 10-nonadecenoate (19:1n9) 1.1373 0.8761 1.2976 1.0127 0.7597 1.0832 0.3685 1.2468 1.7402 0.6838 1.1985 0.8382 1.8416 0.9964 1.3091 1.3782 0.9575 0.6623 0.7900 0.8790 1.3759 0.9600 1.0998 0.7937 0.6961 1.1757 1.0479 0.8240 1.0347 0.7125 1.4515 0.8457 1.0000 1.1268 1.7631 0.5975 1.1542 0.6325 1.4255 1.7940 1.2294 0.7317 1.2973 0.8894 1.7017 0.5493 1.0146 0.5242 1.0970 0.6709 0.7794 1.5316 0.4497 2.0381 1.5263 0.7854 0.6288 1.3102 0.3758 1.2121 1.8974 0.4115 0.8758 0.7263 0.3795 0.4335 1.2388 1.2397 1.2284 1.0224 0.5328 0.5754 0.8864 1.1288 0.6025 10-undecenoate (11:1n1) 0.5173 1.0630 1.5140 0.9417 0.7934 1.2056 0.5558 0.8072 1.5077 0.6820 1.0259 0.8375 1.5547 1.0645 1.0983 0.6780 1.7742 0.2835 1.4048 0.7246 1.0886 0.4624 0.8719 0.7031 1.3621 1.0000 0.9912 1.1500 0.4554 0.3692 1.1027 0.7760 1.1819 1.0024 2.2296 0.8021 1.6811 2.0830 1.0166 1.8057 1.3390 0.8511 1.8561 1.1576 0.9477 0.3116 0.7771 0.6089 1.3180 0.2580 0.7014 1.1329 0.1055 0.6986 1.2448 1.0001 1.2180 0.6660 0.3261 0.8097 2.0414 0.6220 0.8189 0.5575 0.3603 1.0771 0.9979 1.1568 1.5894 1.0745 0.5273 1.3119 1.2235 1.5579 0.5607 11-ketoetiocholanolone glucuronide 0.3570 0.3570 0.3570 0.3570 1.0298 2.4561 1.8076 0.3570 1.7650 0.9873 0.8732 0.3570 0.3570 0.3570 0.3570 2.3149 2.1457 3.9509 3.1636 1.9632 0.6774 0.5633 0.3570 1.2520 0.3570 1.2391 0.3870 0.3570 1.0000 1.3196 0.3570 0.4328 0.6969 0.6509 1.7278 0.3570 0.9454 0.3570 1.2118 0.8571 1.0473 0.4968 0.3570 0.3570 0.3570 1.1572 0.3570 1.8656 0.6799 0.4852 2.2144 1.0903 4.5767 0.6548 0.6405 0.3570 0.3570 0.3570 0.6496 0.3570 0.3570 0.7698 0.3570 0.3570 0.3570 0.3570 1.4800 0.3570 1.0654 0.3570 0.7656 0.8850 0.3570 0.5649 0.8519 12,13-DiHOME 0.7568 1.1685 0.5970 1.8033 0.2738 0.5788 1.1435 0.3825 1.3369 1.0248 0.8058 0.7657 0.6407 1.0023 0.2738 0.3069 1.4601 2.0292 0.9215 1.3810 0.5071 0.8716 1.4038 1.1191 1.1327 1.0922 0.2738 0.2738 0.4213 1.6268 2.4199 0.8209 0.4948 0.8050 1.1164 0.2738 1.6577 0.5518 1.7772 0.3639 0.2738 0.6918 0.6464 0.9582 1.0000 0.2738 0.7216 0.6179 1.6492 1.5273 2.1793 0.9875 0.6072 0.4842 0.5213 1.7647 0.2738 0.2738 0.9084 0.7215 1.1178 0.7729 0.2738 0.2738 1.0139 0.2738 0.2738 1.3575 1.4723 1.3678 0.2738 1.5116 0.2738 2.1302 1.7612 12-HETE 0.5308 0.3008 0.3008 0.4133 0.3256 1.8962 1.1604 0.6150 1.3946 2.1331 1.0708 0.7434 1.7998 0.9787 0.9352 0.8122 1.3951 0.3008 0.4792 0.9603 0.3008 1.1550 1.4914 0.6736 0.3008 1.9388 1.2373 0.6519 0.4397 2.0268 1.9594 2.4287 0.3008 1.0990 1.1040 0.3008 1.7961 1.7175 3.6604 3.3443 1.3882 1.9976 2.3192 2.1107 3.7273 2.1309 2.1314 0.7571 1.1709 0.3008 0.7718 0.5924 0.3342 0.9167 1.0657 0.6703 1.3913 0.7321 0.3008 0.7790 1.0717 0.8427 0.3008 0.6362 0.5617 0.4223 0.9153 0.4850 0.9676 0.7831 1.1776 0.8683 0.8793 1.0213 0.7349 13-HODE + 9-HODE 1.1213 1.0000 0.9195 1.3191 0.6698 0.9077 0.4806 1.1156 0.8587 1.0516 1.0629 0.9833 1.1208 1.3505 0.8972 1.0499 1.1125 2.1058 1.0563 1.1223 1.3217 0.8555 1.1835 0.7903 0.7547 1.2004 1.1173 0.8548 0.9114 1.4977 2.0463 0.6313 0.5918 1.3314 1.1409 0.6594 1.2545 0.5893 1.9433 0.8872 0.7617 0.8930 1.1468 1.0383 1.3687 32.2117 1.2167 0.6306 1.0093 0.7204 1.1412 1.7076 1.3451 1.1719 0.7569 0.8715 0.4944 0.9647 0.5507 0.9633 1.7792 1.1950 0.5197 0.6676 0.7619 0.4208 0.6982 1.0817 0.9214 0.9497 0.5170 0.7529 0.7986 2.0961 1.3635 13-methylmyristate 0.9742 1.2484 1.0000 1.5724 0.8951 0.8986 0.5094 1.2843 2.0410 0.9955 0.9727 0.6052 1.8373 1.2017 0.8805 1.0929 2.1960 0.3295 0.9868 0.7494 1.8588 1.0526 1.4702 1.3575 0.8775 1.6092 1.5671 1.0935 0.8000 0.5700 1.9878 0.5647 0.9493 0.9650 3.6995 0.6860 2.9865 1.0156 1.4783 1.5357 1.4432 0.4856 1.7687 1.3550 1.7075 0.4144 1.0945 0.6711 0.7495 0.4274 1.0298 2.3335 0.1935 1.3648 1.1846 0.8607 0.6313 0.9487 0.4764 0.7421 3.3100 0.4077 0.8391 0.7947 0.5611 0.5317 1.0420 1.2081 1.0588 1.6023 0.5260 0.9007 1.6754 2.4186 0.9846 14-HDoHE/17-HDoHE 0.2062 0.2062 0.2062 0.9280 0.2062 1.3954 0.2062 0.2062 1.1537 1.1647 0.2062 0.8307 0.8668 1.2888 0.2062 0.2062 0.9698 0.3743 0.2062 1.0302 0.2062 0.4902 0.9088 0.2062 0.2062 0.2062 0.2062 0.2062 0.2062 1.1610 2.3904 1.1086 0.2062 1.3371 1.6510 0.2062 1.2712 0.7094 2.9883 2.7896 1.5084 0.6318 0.5422 2.2689 2.1754 0.9639 1.1461 0.7360 0.9215 0.2062 0.2062 0.2062 0.2062 0.8429 0.2062 0.2062 0.2062 0.2062 0.2062 0.5535 1.0544 0.2062 0.2062 0.2062 0.3459 0.2062 0.2062 0.2062 0.6489 0.2062 1.1100 0.2062 0.2062 0.5495 0.2062 16a-hydroxy DHEA 3-sulfate 1.3920 0.4265 2.8872 1.3450 0.8377 1.1327 1.5105 2.2983 1.3050 1.1213 0.6337 0.4457 1.8608 1.1539 1.6165 1.0705 0.7691 0.4474 0.5778 0.2513 0.7537 0.3520 1.6927 0.5519 1.1129 1.9320 2.0919 0.5526 0.5204 0.5861 0.5578 1.0000 0.2744 1.5964 1.2134 0.6768 1.8331 0.4500 2.1721 0.6407 2.4046 0.8057 0.8837 1.2085 2.6829 3.3849 2.2186 0.8476 1.0123 0.7461 1.6733 0.3632 0.7688 2.1310 1.9253 0.3732 1.1824 0.7720 1.8634 0.6980 0.6586 2.4615 0.7626 0.2295 0.3507 0.9110 1.3213 1.4787 0.8798 1.1565 0.7992 5.4423 0.6903 0.9326 3.5253 16-hydroxypalmitate 1.5249 0.7305 1.5163 1.1040 0.9296 0.8514 0.6661 1.1651 1.3037 0.8469 0.9644 0.8050 1.3124 1.0296 0.8023 0.8098 1.0304 1.5133 0.8042 0.9480 1.5521 1.0718 1.0182 0.8555 0.6179 1.0334 0.7170 1.1514 1.3466 2.6544 1.3791 0.9668 0.6765 1.3617 2.2909 0.9117 1.5016 0.5358 1.4892 1.0626 0.9289 0.6351 1.4211 1.0773 1.3003 1.1836 1.2962 0.8076 1.0000 1.0189 0.9914 1.6770 0.7315 1.7706 0.8035 1.1508 0.6194 0.8214 0.5828 1.8662 2.3078 0.6712 0.8857 0.8471 0.5121 0.5788 0.6564 1.8368 0.8319 0.8741 0.8316 0.7541 1.5463 2.1068 1.1861 17alpha-hydroxypregnanolone glucuronide 0.1370 0.2502 0.8044 0.3454 1.4912 2.6545 2.9273 0.4699 1.6857 0.3606 0.7796 2.0008 0.3963 0.3658 0.5228 2.5945 0.1370 0.1370 0.3922 0.1370 0.9315 0.1370 1.2238 1.1291 0.2979 1.6878 0.2422 1.3022 0.7764 0.9732 0.5686 1.5785 0.1370 2.0398 3.0136 1.1597 0.5468 1.4077 3.0060 0.3546 1.7728 1.0000 0.9590 1.4701 0.1370 3.5614 6.8725 0.1370 2.1151 0.3915 0.4223 0.1370 0.1370 0.1370 2.8498 0.1370 1.2086 2.5740 0.9328 0.1370 0.1370 0.1370 0.1370 0.3426 0.2902 0.6652 1.1819 2.5198 0.4670 0.1370 2.0633 0.4800 1.0840 0.3138 1.0482 17alpha-hydroxypregnenolone 3-sulfate 0.2194 1.1925 3.5509 0.9400 2.3527 2.6501 1.0697 0.3681 0.3765 1.1743 1.6320 2.3115 0.8685 0.2194 0.2231 1.1087 0.5788 0.2194 0.6917 0.2194 2.0095 0.2194 0.9014 0.4877 0.2681 3.0166 1.1963 0.2194 0.5148 0.2194 0.4657 2.0221 2.1026 0.8976 1.3274 1.1039 2.4857 1.2825 2.9535 2.1955 3.6770 0.4959 0.5881 0.5419 0.2194 3.0187 2.6946 0.5343 1.4796 0.6441 1.1884 0.3576 1.7355 0.8685 1.7994 0.2917 0.8542 0.7584 1.6032 0.2194 0.4126 0.2194 0.2194 0.2194 0.7229 0.7307 2.1614 1.0000 0.9727 0.6167 0.8215 0.2194 0.5681 1.4245 1.1955 17-methylstearate 1.0442 0.9970 1.1896 0.9323 0.9910 1.0670 0.7148 1.1959 1.7663 0.9081 1.0000 0.9786 1.1416 1.0029 0.9804 1.1113 1.1766 0.4250 0.9520 0.6822 1.3788 0.8174 1.2840 0.8945 0.5863 1.0390 1.0510 0.8482 1.0805 0.8100 1.2256 1.1359 1.0734 1.0363 2.0324 0.7426 1.4073 0.8146 1.0442 2.1393 1.2018 0.6008 1.2793 0.9142 1.7883 0.4641 1.0026 0.7314 0.9156 0.7395 0.8739 1.2983 0.6325 1.2201 1.5767 1.0671 0.8294 0.8954 0.4498 1.6573 1.6824 0.7485 0.9705 0.9526 0.4180 0.6164 1.0669 1.1355 1.6286 1.3652 0.7868 0.4994 1.0712 0.8631 0.7386 1-arachidonoyl-GPC (20:4n6)* 0.6510 0.4946 1.1771 0.5893 1.3364 0.8915 0.8843 0.9664 1.0213 1.3168 0.6323 1.4578 0.8600 0.8929 1.6559 1.7051 1.1314 1.0140 1.3535 1.1566 1.2526 0.7106 1.2012 1.0799 0.9984 1.1481 0.6038 0.8020 0.5956 1.1466 1.1648 1.3769 1.6252 0.5786 0.8988 0.6353 1.2817 0.6545 1.0087 1.1217 0.9862 1.5224 1.4977 1.2549 0.9879 1.1717 0.7284 1.1075 0.9230 0.9432 0.5056 0.9465 0.4287 0.9952 1.0351 1.0515 1.4215 1.5204 0.6050 0.7099 1.0508 0.4906 0.7992 1.0173 0.4172 1.1926 1.1789 0.8131 0.7346 0.6628 1.3101 1.0000 0.7104 1.3085 0.5052 1-arachidonoyl-GPE (20:4n6)* 0.8967 0.7736 1.2299 0.6655 1.3768 0.8640 0.9845 0.9467 1.1023 0.9790 0.7802 0.9171 0.6477 1.0076 1.8289 1.6678 1.0144 0.9448 0.8739 0.8824 0.8399 1.0000 1.1966 1.1981 0.9911 0.9084 0.7632 1.0588 0.9046 1.0765 1.0908 1.2396 1.0096 0.9086 1.1101 0.9098 1.0742 0.8094 1.0140 0.9745 1.0396 1.1607 1.0767 1.1028 0.9925 1.5316 0.6900 0.8417 1.2554 1.1574 0.8708 0.7494 0.4708 1.4022 1.0673 0.9910 1.2024 1.2971 0.9296 0.8291 1.3015 0.6165 0.8646 1.2735 0.7424 1.1746 1.1704 1.1183 0.9388 0.7564 1.0140 1.0313 1.0750 1.5550 0.8222 1-arachidonoyl-GPI (20:4)* 1.1470 2.1548 1.1972 0.8346 1.1086 0.9663 0.5230 1.0568 0.8251 3.2040 1.0831 1.0698 1.3906 3.0630 1.9572 1.1093 1.2213 1.4871 0.7322 0.7142 1.4825 0.7798 1.5544 1.0789 3.4082 0.9947 1.9602 0.6461 0.8344 1.2597 0.8263 1.2527 1.8924 0.8859 0.7566 0.7000 1.8146 0.9780 0.9588 1.3646 0.6653 0.7238 2.1703 2.8038 0.9471 1.5886 0.7452 1.0000 0.8802 0.9163 0.6578 0.9907 0.5302 1.6283 1.2687 1.5772 2.7348 0.9617 0.7250 1.0782 0.7845 0.9880 0.5994 1.2999 0.7535 0.7072 0.9856 0.8777 0.7411 1.3091 1.0393 1.3122 0.7477 1.8210 0.6416 1-arachidonylglycerol (20:4) 1.0559 0.6764 0.5047 0.3872 0.5523 1.3104 0.3872 0.6805 1.2837 1.5471 1.0547 1.0000 1.4255 0.3872 1.8089 1.5289 0.9108 0.5893 1.0203 0.3872 1.3333 0.6512 1.3343 0.8286 0.3872 1.2071 0.3872 0.5784 0.3872 0.6056 1.6249 1.0100 0.9165 1.2165 1.3473 0.7098 0.6805 0.4455 0.3872 1.8035 0.6686 0.3872 0.3872 0.9063 1.0185 1.0672 0.9609 0.9591 1.1170 0.3872 0.5731 0.7151 0.3872 2.1621 0.8633 0.3872 0.3872 1.6731 0.3872 0.7445 1.6343 0.5339 0.3872 1.0000 0.5943 0.3872 1.4990 0.3872 0.3872 0.6322 1.0508 0.3872 1.0889 0.3872 0.3872 1-lignoceroyl-GPC (24:0) 0.8126 0.7137 0.4230 0.4230 1.3927 0.4230 0.7794 1.2491 1.0746 1.2651 0.7418 1.3357 0.4230 0.9774 1.5786 0.8572 0.9392 4.3516 1.0202 0.9798 0.5235 1.2015 0.4230 0.4230 1.0411 0.4230 1.9619 0.4230 1.2550 1.2265 2.6704 0.6269 0.7011 0.5638 0.8296 0.6406 1.1289 0.4230 1.6780 1.0647 1.2247 1.5850 1.8630 0.4350 0.4230 0.6993 0.4230 0.6647 0.6699 1.0487 1.5960 0.4230 3.6938 0.5424 0.6217 0.4230 1.1405 0.6043 0.6960 0.5679 0.7984 2.4635 0.6786 0.7721 0.7522 1.1598 0.5065 0.4230 1.2922 0.4230 1.2239 1.5627 0.8288 1.3086 0.4230 1-linolenoyl-GPC (18:3)* 0.6112 0.4149 1.4341 1.0667 1.2476 1.0946 0.9333 1.0568 0.8963 1.8850 1.0146 1.1652 0.6075 1.4376 1.4359 1.1396 1.0773 0.6837 1.1325 0.9088 1.0797 1.0783 1.6113 1.7277 1.1692 0.7274 0.9847 0.6827 0.3567 0.7532 1.0000 0.7614 0.8184 0.5876 1.0241 0.6717 0.8904 1.0471 1.6560 0.6914 1.0986 1.6313 0.8387 0.5924 0.7148 1.3903 0.2626 1.1392 0.9747 2.1942 0.8070 0.9575 2.1916 1.0502 0.8073 1.0199 1.3154 1.0944 1.4339 0.2930 0.7374 0.9999 0.6145 1.0706 0.8165 1.4303 1.1370 0.8611 0.7768 0.4126 0.7536 0.8374 0.9819 1.3297 1.7970 1-linolenoyl-GPE (18:3)* 1.0632 0.7434 1.7280 1.7820 1.6123 0.8418 1.4389 0.9600 1.1955 1.7174 1.6115 0.9129 0.3028 2.1594 2.0662 1.5512 0.9655 0.9171 0.9073 1.0000 1.0492 2.1650 2.4296 2.7864 1.3490 0.6444 1.2140 0.6270 0.3028 0.7837 0.5814 0.8082 0.5867 0.5895 0.8984 0.7825 0.9091 0.8548 1.7145 0.4600 0.9614 1.1693 0.6504 0.5167 0.9460 2.0751 0.3028 0.9386 1.6630 4.2943 0.8899 0.7002 2.8829 2.1683 0.5763 1.4633 1.1262 0.9858 3.2243 0.4717 1.2656 1.4588 0.7199 1.6476 2.1629 1.5441 1.2313 0.9987 0.7710 0.4643 0.3931 0.8128 1.4707 2.1524 2.9887 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 1.2321 0.7021 1.2529 0.9041 0.7709 0.8044 0.9467 1.3316 0.8404 1.2394 0.8011 0.8517 0.7823 0.9846 1.3517 1.2491 0.9796 1.2799 1.0450 1.0000 0.9792 0.9462 1.1425 1.1849 0.9061 0.7869 0.7584 1.0579 0.9405 1.1013 1.2747 1.3764 1.0530 0.5563 1.0687 0.9910 0.9436 1.2550 0.9918 1.0227 0.8737 1.3882 0.9221 0.5475 0.7239 1.2230 0.9376 0.8862 0.9646 0.9999 1.0337 0.9450 0.8496 1.0054 0.8925 1.0076 1.1281 1.0937 1.0486 0.5741 0.8709 1.0314 1.0075 1.1945 1.1782 1.2444 1.0257 0.8103 1.0238 0.7413 1.4246 1.0710 0.7058 1.0926 1.0333 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 1.5741 0.9871 1.7661 3.1569 0.9176 1.0000 1.4752 1.5464 0.6460 1.8639 1.6298 0.7709 0.5825 3.1320 1.1977 1.1566 0.7990 1.1167 0.9560 1.2561 0.6927 1.5252 1.2206 0.9795 1.0728 0.3460 2.5357 0.9712 0.3301 0.9411 1.2488 0.8382 0.5828 0.5372 0.5872 1.0266 1.2759 1.0155 2.0459 0.8072 0.5739 0.7844 0.4673 0.2007 0.5140 1.1484 0.5213 0.7963 1.4300 2.0625 1.1147 1.3854 4.7090 0.9844 0.5686 1.3319 0.8567 0.9803 2.4287 0.3572 0.7976 1.8143 1.2722 0.8336 3.6758 1.8510 0.8263 0.5755 0.9440 0.5511 1.4032 1.3060 0.3535 1.4603 4.2199 1-linoleoylglycerol (18:2) 1.8906 1.3642 0.7581 1.3683 1.0258 2.7929 0.9268 0.7967 0.7334 0.9657 1.2215 1.2942 1.8330 0.5841 2.3768 2.2575 0.9939 1.1995 1.3802 0.8764 3.1982 1.0000 1.3406 1.0018 0.8519 1.3367 0.6755 1.0698 0.8516 0.6223 0.7253 1.6477 2.1636 0.9614 0.8420 0.6709 0.5921 0.4980 0.8236 2.0838 0.7932 0.8310 0.8311 1.2984 1.0219 1.7997 2.0864 1.9222 1.8600 1.1916 1.6686 0.7362 1.1022 2.1582 2.2541 0.3084 2.2390 2.2061 1.3615 0.6168 0.8143 0.7997 0.4362 1.0539 0.8674 0.6665 1.5527 0.8453 0.5925 1.8007 0.8609 0.7310 0.5739 0.8947 0.9097 1-linoleoyl-GPA (18:2)* 0.9772 1.6932 0.3892 0.8370 1.0213 0.5457 0.9258 0.9889 0.3892 1.5835 0.3892 0.7023 0.4721 2.8748 0.6174 0.7979 1.8662 0.3892 1.0000 0.3892 1.7934 0.3892 0.3892 0.3892 0.6714 0.6585 1.3415 1.1555 0.3892 1.2242 1.4012 0.6167 0.6143 0.8515 1.1671 0.7119 1.6313 0.3892 2.8508 1.7362 2.6194 0.8321 1.1702 1.0921 1.4793 0.3892 1.6213 1.5400 1.8845 0.3892 1.7285 0.3892 1.6949 0.3892 0.3892 0.8068 0.8401 1.0702 0.9984 0.4538 0.8764 1.0628 0.3892 0.3892 3.7701 0.4016 0.6704 0.8516 0.6401 0.5659 0.3892 0.9958 0.3892 1.0302 1.0162 1-linoleoyl-GPC (18:2) 0.6477 0.6513 1.2125 0.9768 1.2308 1.1059 1.1075 1.0303 0.8504 1.3519 0.9480 1.0835 0.6012 1.4575 1.3533 1.1436 1.1163 1.5740 1.4058 0.8586 1.2890 0.7535 1.1534 1.1016 1.1841 0.9991 1.1452 0.8884 0.6093 1.0945 1.4436 0.9394 0.9247 0.7145 0.7828 0.7853 1.1115 0.6708 1.3280 0.8920 1.3062 1.0563 0.9041 0.7623 0.9646 1.9094 0.4708 1.0084 1.2276 1.0000 0.5381 0.9579 1.4799 0.7557 0.8369 0.9207 1.2299 1.2356 1.1237 0.5762 0.9563 1.3862 0.7469 0.8498 0.7951 1.0352 1.0347 0.7332 0.8362 0.6511 1.0442 0.8561 0.7692 1.1024 1.2568 1-linoleoyl-GPE (18:2)* 0.7630 0.9093 1.5749 1.2306 1.2661 1.0521 1.1947 0.8909 0.8870 1.1732 1.1816 0.8581 0.4345 1.6962 1.7848 1.3004 0.9999 1.8978 1.0000 0.6332 1.1695 1.1837 1.3213 1.6898 1.1347 0.7973 1.2214 1.0382 0.7416 1.0881 1.4324 0.9189 0.6994 0.8349 0.8036 0.7860 0.8711 0.5558 1.2464 0.6155 1.2153 0.9101 0.7111 0.5737 0.8392 3.0425 0.3375 0.7104 1.7850 1.7607 0.7454 0.6501 1.5619 1.2899 0.7897 0.7662 1.0082 1.0951 1.6349 0.7133 1.2238 1.5040 0.7330 1.0942 1.2438 0.8681 0.8982 0.9121 0.7016 0.6672 0.6873 0.7799 1.1369 1.4922 1.7807 1-linoleoyl-GPG (18:2)* 1.0017 1.0653 0.6865 1.1099 0.7048 1.1256 1.0214 0.8621 0.9110 1.1308 1.3901 0.7305 1.2264 2.1180 0.9811 1.7738 1.2829 1.4011 0.9226 0.7184 0.9472 0.5524 1.4713 1.2174 1.9506 0.6171 1.7003 1.3922 0.6889 1.0131 0.7372 1.0690 1.2253 1.0761 0.5329 0.8986 1.5348 1.0776 1.3343 0.7818 0.7895 0.4140 0.7187 0.9910 0.7668 2.1781 0.8275 0.8361 1.2712 1.0609 0.6847 1.2242 0.6696 1.6924 1.0000 1.2113 0.8039 0.5126 1.2017 0.4140 0.4140 0.9881 0.4971 1.2140 0.7914 0.6717 1.0686 1.3820 0.4328 0.9545 0.7483 0.8198 0.5644 1.8399 1.1714 1-linoleoyl-GPI (18:2)* 1.2324 3.2308 1.0562 1.3733 0.7456 0.9636 0.6047 1.0170 0.9735 2.8660 1.1509 0.9957 1.1506 3.3399 1.0846 0.7136 1.4779 2.9159 0.5979 0.8103 1.6241 0.8336 1.9976 1.0068 3.2919 0.5592 3.2641 0.5407 0.9031 0.9520 1.1415 1.3907 1.5595 0.9754 0.8124 0.8287 2.4211 0.9602 0.7671 0.9603 0.5235 0.5572 1.4287 2.4150 1.1361 2.0108 0.8201 0.7102 0.7456 1.1275 0.9483 0.4894 1.6262 1.6229 0.7670 1.8697 1.5234 0.4703 1.0000 1.1849 0.3517 1.4061 0.7013 1.0563 1.1294 0.3809 0.9007 0.6124 0.5814 0.8222 1.1970 0.8347 0.5063 3.5682 1.0836 N1-methyladenosine 0.9267 0.8843 1.0465 0.9877 1.5963 1.0797 1.3483 0.9674 1.0351 1.0311 0.9229 1.0811 0.9372 0.7657 1.2410 0.8775 1.1125 1.3635 1.2790 1.1128 1.2362 0.7870 1.2218 1.2499 0.9055 0.9805 1.0302 1.1532 1.2203 0.9364 0.7995 1.0309 0.8260 0.7022 1.0017 0.8261 0.9861 1.0664 0.9362 0.9334 1.1101 0.9922 0.7912 0.8530 0.8831 1.2042 0.8097 1.0222 1.1968 1.1813 0.9949 1.3274 1.0206 1.0842 0.9567 0.8111 0.8037 0.9936 1.1473 0.7316 1.0203 1.2404 1.0000 0.9545 0.8209 1.1181 0.9261 1.0419 1.0275 0.8929 0.8625 0.9611 1.4764 0.7750 1.0598 1-methylhistidine 0.8170 0.6537 1.1483 0.6503 1.0116 1.5501 1.6938 0.7950 1.3346 1.4152 0.8992 0.9643 1.0000 0.6690 1.3823 1.0981 1.3116 1.2103 1.3651 1.1728 1.5664 0.6033 1.3072 1.0044 0.8561 1.1085 0.4662 1.3220 1.3666 0.8845 0.6744 1.3666 0.8110 0.6748 0.9997 0.7621 0.9090 1.1940 0.6843 1.0424 1.4039 0.8077 0.7256 0.9446 1.0225 0.8310 0.6881 1.0388 0.7813 0.7123 0.8978 1.0825 1.1424 0.7761 0.8014 0.7999 1.2302 1.3723 1.0210 0.7901 1.2224 1.1388 0.7814 0.9673 0.9459 1.1984 0.9675 1.3182 1.3899 1.0534 1.1773 0.7339 1.3220 0.8031 0.8341 1-methylimidazoleacetate 0.6607 1.0778 1.4735 0.9804 1.5136 0.9101 1.3048 0.8901 1.2706 1.1098 0.9238 1.0937 1.2102 0.7796 2.2638 0.8820 0.8634 1.3292 1.2007 1.7550 1.0163 1.0411 1.2949 0.9492 0.8958 1.0702 1.0290 0.9810 0.8849 1.1481 1.0000 1.2682 1.3828 0.7581 0.9610 1.3313 1.9242 0.6656 0.7311 0.6906 0.8109 1.3516 0.9464 0.6400 1.1546 0.9616 0.5497 0.7816 1.9387 0.6626 1.3056 0.9349 1.2225 0.9381 0.9901 0.9594 0.7385 0.7669 1.3389 0.6201 1.4790 1.0731 0.9601 1.0841 1.0987 1.0119 1.1330 1.2239 1.1569 0.9183 0.4879 0.8797 1.4438 0.7565 0.9685 1-methylnicotinamide 1.8166 1.6244 0.8757 2.4428 0.5655 1.0668 1.1426 1.0507 0.7574 1.3618 0.8191 0.9670 0.5148 0.7734 1.1505 0.8714 2.9704 0.9030 2.7755 0.6381 1.1914 0.6069 0.8818 1.1481 1.1962 0.6076 1.1173 0.9666 1.0852 0.5902 1.4567 0.7166 0.6809 0.7860 1.4705 0.2777 1.8090 0.8988 0.8867 1.1734 1.2292 0.4078 1.2904 0.6683 0.3651 0.4904 1.8227 0.7319 0.8363 1.1548 2.1524 1.4122 1.0092 1.0239 0.7833 1.0304 1.6143 1.0523 0.5477 0.9606 0.8351 0.6278 1.1622 0.8152 1.0000 0.6536 0.8968 1.3291 1.2345 1.5976 0.4246 1.2923 1.3716 1.1700 0.7579 1-methylurate 0.4409 2.0305 2.7476 1.8745 2.7540 2.4943 0.4108 0.5903 0.4673 0.8091 0.7230 0.5483 0.5285 0.1393 0.4548 0.3757 0.4509 5.6546 3.7443 3.4232 1.0453 0.3952 4.6444 7.0714 7.0999 1.1846 1.8660 14.7280 1.4569 3.0155 2.1458 0.3469 0.2731 0.7668 0.8506 0.9219 1.5511 0.5843 5.6932 0.5985 2.3334 0.9459 5.1465 0.9615 1.0248 13.7519 0.4165 0.4549 1.3319 2.7282 0.3652 1.6255 7.3324 0.4881 5.5472 0.5436 0.9752 0.4936 10.9165 0.1393 5.7287 0.4710 2.8060 5.7105 3.5224 0.5667 0.1393 4.9007 0.3799 5.1580 0.1393 0.5523 0.9585 0.3100 0.3423 1-methylxanthine 0.1921 1.0177 0.7969 1.1248 0.9393 0.7101 0.1921 0.1921 0.1921 0.1921 0.1976 0.1921 0.1921 0.1921 0.1921 0.1921 0.1921 1.7469 1.2878 0.8328 0.2982 0.1921 1.7441 2.2919 5.0057 0.5353 1.0880 5.7692 0.1921 1.5605 1.0000 0.1921 0.1921 0.5711 0.3871 0.4548 0.6506 0.2596 2.7014 0.1921 0.7786 0.1921 2.6682 0.8532 0.5288 5.5705 0.2709 0.2216 0.7594 0.9877 0.1921 0.6437 2.2639 0.1921 1.9805 0.2127 0.1921 0.1921 5.3952 0.1921 2.6591 0.1921 1.0060 1.7826 1.9531 0.1921 0.1921 2.5927 0.1921 2.2841 0.1921 0.1921 0.1921 0.1921 0.1921 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1.0214 0.7263 0.9514 0.8183 0.9286 0.7516 1.4500 1.1202 0.8820 0.9466 1.1434 1.0356 0.7818 1.8835 1.1053 1.2181 0.7009 1.5636 0.8600 0.8229 1.0000 1.1705 1.0825 0.8720 1.6667 1.1507 1.9946 0.9802 0.7296 1.3672 1.1463 0.6771 0.7233 0.9994 0.9470 1.1004 0.7847 1.2083 1.6685 0.7790 1.2384 1.0925 0.8859 0.6118 0.7326 2.2033 0.7650 0.8527 1.2344 0.7587 0.9520 1.0617 3.1398 0.5859 0.6472 1.1777 1.3278 1.0244 0.9150 0.9868 0.8758 2.9803 1.1059 1.1604 1.3491 1.5268 0.9005 0.8892 1.3041 0.8794 0.9959 1.2162 0.7232 1.0465 1.2912 1-oleoylglycerol (18:1) 0.9005 1.9794 1.0146 0.9995 0.9730 2.3857 0.4856 0.7700 0.8161 2.2801 0.6846 0.9208 1.1837 0.3127 2.3245 1.1440 1.6727 0.4966 0.8835 1.1814 0.4278 1.4609 1.1358 1.5839 0.5816 1.1394 0.3112 1.1512 0.8876 0.7933 0.7492 0.9417 5.8748 1.1880 1.4811 1.1524 1.4174 0.4636 0.5998 1.0456 0.4368 1.1032 2.2759 0.3189 0.7771 1.3360 0.9916 0.8220 1.6036 1.7271 2.0566 0.6183 0.9275 3.0969 1.3488 0.3112 0.4378 1.2417 0.6322 1.4330 0.8581 0.6299 0.8288 5.1956 1.0092 0.5993 0.7762 1.6095 0.4383 1.8908 1.0201 0.5073 1.0005 2.3637 0.4647 1-oleoyl-GPC (18:1) 0.6291 0.6137 1.3363 0.8439 1.4535 1.1073 0.9895 0.9840 1.0382 1.1647 0.8647 1.2774 0.6779 1.4430 1.3468 1.2357 1.1468 1.1931 1.3211 0.8345 1.1307 0.8752 1.0178 1.0598 1.2078 1.0235 1.1492 0.8886 0.6429 1.1401 1.5194 0.9217 0.9428 0.7468 1.0428 0.6769 1.1066 0.6725 1.5488 0.9337 1.4132 1.3802 1.1454 0.8333 0.8114 1.8238 0.5131 0.8925 1.2093 1.0000 0.6761 0.8282 1.5193 0.7479 0.9213 0.8949 1.6708 1.3579 0.7685 0.6678 1.1485 1.3934 1.0403 1.0171 0.7055 1.1280 0.9601 0.9298 0.9412 0.8365 0.8740 0.9990 0.9450 1.3712 0.9347 1-oleoyl-GPE (18:1) 1.0020 1.0482 1.2599 1.2504 1.1314 0.8948 1.1944 0.9930 1.0595 0.9405 0.9730 0.9992 0.4994 1.5477 1.7012 1.4250 0.9421 1.5431 0.9402 0.6258 0.9540 1.1499 1.3238 1.6906 1.0016 0.7204 0.9003 0.7609 0.8480 1.3771 1.6417 1.0000 0.9485 0.5646 0.9769 0.5584 0.9489 0.5892 1.7810 0.6671 1.2405 1.1777 0.8573 0.5616 0.7489 4.1532 0.5029 0.6725 1.6924 1.2241 0.6900 0.4473 2.4432 1.1197 0.7827 0.6828 1.6157 1.0117 1.0363 0.8877 1.0917 2.2173 1.5417 1.4187 1.4016 1.0146 0.9350 0.9805 0.8735 0.8709 0.7487 0.7709 1.0088 1.6883 1.1680 1-oleoyl-GPG (18:1)* 0.9027 1.4343 0.9489 0.7772 0.7396 0.8560 0.7830 0.7183 1.3328 0.8934 1.1177 0.5364 1.0380 2.0794 1.1197 1.1523 1.5668 1.3108 1.3133 0.6574 0.5602 0.7810 1.1039 1.2999 2.4960 0.8290 1.8985 1.0968 0.9157 0.5036 1.6191 1.4283 1.1293 0.7915 1.0917 0.6845 2.7677 0.9961 1.0000 1.5506 1.0483 0.8349 1.1832 1.6372 0.5809 2.4195 0.9056 0.7913 1.1834 0.9158 0.8688 0.6092 0.6577 0.9401 0.7473 1.9334 2.2365 0.5036 0.6901 0.6799 0.5036 1.0846 0.9690 1.0674 0.8990 0.9033 1.0267 1.2040 1.0006 1.5526 0.6342 1.2334 0.9473 2.3581 0.7869 1-oleoyl-GPI (18:1)* 1.0678 1.5868 0.9984 1.1413 0.6631 0.8540 0.7029 0.9762 0.7713 1.4086 0.9022 0.8444 1.1052 4.5483 0.7828 0.6919 1.8089 1.9239 0.6124 0.6003 1.0149 0.9746 1.5935 1.2243 4.3136 0.4761 2.1827 0.5412 1.2732 1.4711 1.7750 0.7744 2.0787 0.7027 1.1643 0.5899 3.7161 0.9480 1.1654 1.1449 1.0438 0.8373 1.8074 3.0333 0.5952 3.2118 0.6446 1.1225 0.8678 1.1661 0.8165 0.6370 2.9748 0.9475 0.9200 1.4689 4.4537 0.6891 0.7093 0.8425 0.4194 3.8005 2.0126 1.8509 1.6232 0.6641 0.7891 0.9194 0.8536 1.2463 1.7435 1.0000 0.5051 3.3606 0.9434 1-palmitoleoylglycerol (16:1)* 1.3133 0.5397 0.5397 1.1596 0.5397 2.0958 0.5397 0.5397 1.5938 0.5397 0.5397 0.9399 1.0010 0.5397 2.0037 0.9990 2.5094 0.5397 1.4074 0.5397 0.9777 1.1174 0.5397 1.4451 0.5397 2.5910 0.5397 0.5397 1.5512 0.5397 0.5397 1.0186 0.9432 1.5277 1.8035 0.5397 0.5397 0.5397 0.5397 0.5397 0.5397 1.1123 1.2459 0.7784 0.5397 0.7357 0.5397 0.5397 0.6993 1.6621 0.6125 0.5397 0.5773 3.4796 0.9975 0.5397 0.5397 0.5397 0.5397 0.5397 0.5397 0.5397 0.6801 0.9166 0.5397 0.8137 0.9436 0.5397 0.8120 0.8132 0.9897 0.7099 0.5397 0.5397 0.5397 1-palmitoleoyl-GPC (16:1)* 0.7789 0.8697 1.9926 1.1301 1.6196 1.4490 0.7275 0.8452 1.4886 1.3245 1.2203 1.3992 0.6821 1.0235 1.6313 1.3838 1.4101 0.9299 1.3774 0.7131 1.0449 1.2129 1.1719 1.3179 1.1115 1.4639 0.8211 0.9321 0.6304 0.6540 0.9033 1.1531 0.8768 0.8669 1.3768 0.7520 1.1636 0.6582 1.2718 0.7062 0.9531 1.8511 1.2462 0.8432 0.7428 1.4651 0.3915 0.6877 0.7630 1.3633 0.8258 0.9481 0.6033 1.0766 1.3152 1.0000 1.4945 0.9966 0.7963 0.6187 1.1396 0.6866 0.7558 1.1344 0.7540 1.0537 1.0216 0.8822 0.7170 0.6525 0.7296 0.9811 1.1903 1.9863 1.0027 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 1.1476 1.0000 0.9494 1.1220 0.9611 0.8553 0.8218 0.8931 1.0027 1.0671 0.7694 0.9818 0.9279 0.7760 1.3026 1.0690 1.1628 0.8956 0.9965 0.9462 0.9550 0.9078 1.0567 1.0142 0.8896 0.9689 0.6594 1.0769 1.0837 0.9540 0.9407 1.5159 1.0944 0.7873 1.2010 0.8263 1.2976 0.9675 0.9050 1.0915 0.7968 1.0480 1.0201 1.0300 0.9049 0.9407 1.2371 0.8773 0.8414 0.9633 1.3110 1.0384 0.5429 1.2263 1.0204 0.9899 1.1031 1.0681 0.8981 1.1305 1.1431 0.7368 1.1004 1.1131 1.1204 1.0635 1.1008 0.9716 0.9999 1.0989 1.2264 1.0037 0.9484 1.0841 0.8410 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 2.0210 2.3028 1.0596 1.9602 0.7540 1.0195 0.7090 0.6032 1.3003 0.8697 1.0820 0.5378 0.8607 0.7753 1.8134 1.1343 1.4441 0.8011 0.7028 0.6201 0.5307 1.1458 1.1339 1.6982 0.6484 0.6005 0.7023 0.6116 1.4244 1.2038 0.9088 1.5794 1.1384 1.4391 1.5334 0.7492 2.2758 0.5244 0.8429 1.1226 0.6867 0.9771 0.9405 1.1148 0.7330 0.8618 2.5030 0.4681 0.9172 1.3945 1.2615 0.3430 0.5218 1.8166 1.2524 0.5937 1.0000 1.6969 0.4355 1.6419 1.2541 0.5287 2.0846 1.7949 2.9430 0.4748 0.5940 1.5971 0.6409 1.7623 0.8587 1.3617 0.7858 2.6953 0.7265 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1.0333 0.8531 1.2302 2.1263 0.9172 1.1346 0.6604 1.0311 0.4969 1.3309 1.3311 0.7124 0.7023 0.8100 1.4048 1.2323 1.2189 1.1113 0.6876 0.5962 1.1367 1.2750 1.5091 1.8102 0.6466 0.6867 0.6072 0.7346 1.1943 1.2444 1.0529 1.3866 0.9298 0.8303 1.4339 0.8146 1.2883 0.8134 0.8535 1.1425 0.6999 1.2519 0.5334 0.6975 0.5512 1.2920 1.5497 0.6784 0.7537 2.2613 1.2437 0.7509 0.2728 1.6813 0.9461 0.5735 1.0691 0.9719 1.3055 1.0234 1.4782 0.6712 1.0000 1.5838 1.6926 0.7418 0.6614 1.3047 0.6565 1.2852 0.9611 0.8910 1.1266 0.9674 0.8345 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 0.7048 0.5655 1.5426 1.2266 0.7928 1.0190 0.7252 1.0000 0.9204 1.5764 1.2278 0.8268 1.0318 0.9640 1.4647 1.3225 1.4949 0.7410 0.7633 0.7664 0.9548 1.3723 1.7270 2.2715 1.3699 1.0896 0.4087 1.1615 1.0779 0.5878 0.6609 1.3623 0.7207 0.6382 1.8287 0.6992 0.9104 1.7635 1.1889 0.6819 0.6735 2.0114 0.8154 0.6366 0.3846 1.3479 0.6336 0.8636 0.7032 2.6006 1.7560 1.2384 0.6979 2.1483 1.0379 1.1015 0.9183 0.8734 1.6482 0.4195 0.5300 0.9051 0.7706 2.2127 1.0949 1.0973 1.0123 0.8247 0.7724 0.5074 0.7953 1.0030 1.3652 1.1583 1.5567 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1.0942 1.0576 0.9621 1.3268 1.0464 1.0764 0.9320 0.9326 0.9371 1.0946 1.0447 0.8966 0.8470 1.0598 1.1937 0.8723 1.1789 1.1964 1.0286 0.8514 1.0902 0.9980 1.0449 1.0096 1.0850 0.9796 1.0022 1.0855 0.9393 0.8791 1.0593 1.2621 0.8162 0.8826 1.0585 0.9171 1.3149 0.8765 1.1088 1.0616 0.8829 0.8747 0.7666 0.8243 0.9265 1.1369 0.9972 0.8542 1.0530 1.0000 1.1595 1.0748 0.9178 1.0687 0.8621 0.9543 0.9552 0.9793 1.1265 1.0298 1.0345 1.1645 0.9499 0.9749 1.2585 0.9506 0.9698 0.8954 0.9043 0.9776 1.1437 0.9245 0.9482 1.0246 1.2664 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 2.6147 3.9557 1.0184 4.7138 0.6528 1.4777 0.8077 0.6147 1.1818 1.0407 1.6653 0.4742 0.6985 1.0340 1.9754 0.7928 1.6778 1.3426 0.8241 0.5083 0.8073 1.4749 1.2306 2.2350 0.7419 0.5520 0.9652 0.6030 1.3377 0.8698 0.8180 1.4139 0.6793 1.3749 1.3096 0.8631 2.5020 0.4002 0.8933 0.8817 0.6262 0.6402 0.5336 0.6920 0.7167 1.0898 2.4310 0.3863 1.2670 1.8843 1.2330 0.3409 1.4063 1.9253 0.9359 0.5749 0.6503 1.4843 0.9895 1.6669 1.0051 1.0000 2.1679 1.4101 5.2589 0.3493 0.4564 1.4177 0.4637 1.6967 0.6322 0.9489 0.9244 3.0010 1.5227 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 1.1345 1.9652 0.8424 3.5787 1.0070 1.1022 0.7477 0.7138 0.6768 0.9056 1.9659 0.5291 0.9762 1.6393 0.7930 1.0144 2.2069 1.6523 0.3639 0.5138 0.9689 0.0859 2.7136 3.0005 0.3750 0.1486 1.1199 0.4489 1.0775 1.2535 0.9264 1.3825 0.7281 1.0946 0.9710 1.3311 1.7345 0.9864 0.0859 0.3889 0.4244 0.9576 0.0859 0.5792 0.7019 1.8646 2.2865 0.3079 0.8243 2.3809 2.3384 0.3440 0.0859 2.6478 0.5484 0.8830 0.6114 0.8698 1.0482 1.8959 1.1704 1.0000 1.5143 1.0465 2.4807 0.3367 0.2783 0.8138 0.0859 1.1253 1.2820 0.6197 1.0954 2.3027 1.3518 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1.1123 1.0604 1.1302 1.2774 1.1618 1.1107 0.6688 0.8731 1.0777 1.0729 0.9694 0.9554 0.9427 1.0195 1.1707 0.9474 1.3293 0.7817 0.9468 0.7722 0.8591 1.0581 0.9622 1.1387 0.9236 0.9199 0.8658 0.8737 0.9444 0.8389 1.1056 1.1653 0.8389 0.8868 1.3100 0.7297 1.2841 0.8017 1.0576 1.0785 1.0000 1.0866 0.9752 0.8232 0.7470 1.0260 1.1963 0.8036 0.8600 1.1024 1.3228 0.9099 0.7884 1.1171 1.0426 0.8377 1.2293 1.0671 0.7429 0.9980 1.2672 0.9846 1.2643 1.1400 1.2407 0.8637 0.8400 1.0757 0.9069 1.1739 0.8207 1.0327 1.0915 1.2976 0.9353 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 2.8247 3.6177 1.0000 3.0551 0.6119 1.4098 0.6506 0.5976 1.2469 0.8171 1.4205 0.5957 0.9510 0.8345 2.0817 1.0505 1.6954 0.7158 0.6323 0.4988 0.5923 1.6601 1.3127 2.8333 0.6749 0.6600 0.6352 0.5356 1.8341 1.1636 0.9202 1.9208 1.0892 0.8811 1.3965 0.6459 2.1451 0.4862 0.9393 0.9954 0.6307 1.0135 0.7580 0.7645 0.6924 1.0902 3.0373 0.4354 1.1471 1.6544 1.2240 0.2427 0.8468 2.4957 1.1391 0.5008 0.8433 1.2259 0.5261 1.7215 1.1431 1.0256 3.9751 2.1249 3.7964 0.4594 0.5040 1.5555 0.6612 2.2611 0.7467 0.9908 1.0285 2.8281 0.9608 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 1.2824 1.2808 1.1004 2.3997 0.4145 1.1253 0.3125 0.8114 1.0612 0.6429 1.2542 0.3231 0.8105 0.9262 0.6500 0.6774 2.3246 1.0407 0.6271 0.4978 0.8987 1.2011 1.1859 1.9849 0.6700 0.4274 0.5322 0.6002 1.2164 1.1070 1.3896 1.3455 0.7471 0.6654 1.6041 0.6889 2.0819 0.6729 1.0000 1.2854 1.2114 0.9374 0.4582 0.7526 0.4044 1.8781 1.6756 0.6590 0.6761 1.8465 1.6905 0.4660 0.9734 1.7443 0.8074 0.6428 1.2756 0.8325 0.6957 1.0773 1.1188 1.5876 2.9825 1.5861 2.0652 0.5388 0.4945 1.2735 0.8902 1.6096 1.1435 0.6894 1.1836 2.7732 0.9590 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 1.8267 1.2260 1.8125 2.3059 0.7930 1.5659 0.3820 0.9992 1.4497 1.2043 1.4500 0.7776 0.9728 0.6590 1.1729 0.8808 1.9402 0.5898 0.9765 0.5999 0.7308 1.8657 1.0550 1.9654 0.8989 1.1525 0.7784 0.5632 1.0000 0.4343 0.6911 1.2459 0.6423 1.0365 1.8292 0.6637 1.5054 0.8132 1.0531 0.7746 0.7782 1.4429 0.8759 0.8337 0.5449 0.9585 1.2213 0.7310 0.4747 2.0563 1.7341 1.1136 0.4432 2.3475 1.3705 0.8209 1.0535 0.7532 0.6746 0.6924 1.7595 0.8457 1.6950 1.6488 1.9501 0.6030 0.7448 1.4474 0.5889 1.0126 0.4962 1.0364 1.6334 2.3649 1.0597 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 0.8292 0.8153 0.8970 0.8756 1.2910 0.8566 1.0423 0.8796 0.9634 1.2794 0.9231 0.8966 0.6704 1.0375 1.3161 1.1197 1.2668 1.0566 1.1115 0.9405 1.0236 1.0058 1.1927 1.2694 1.0209 0.8544 0.8732 1.1426 0.8700 1.1524 1.1404 1.3365 1.0645 0.7187 1.1240 0.9285 1.1428 0.9940 1.1108 1.0824 1.1556 1.0030 0.8342 1.0154 0.8822 1.1997 0.7712 1.0000 0.9681 1.1019 0.9554 0.9453 0.6526 1.1118 0.8344 0.8911 1.2256 0.9952 1.0610 0.7972 1.0979 1.0001 0.9287 1.0628 0.9149 1.0276 0.8506 0.7960 0.9734 0.8085 1.2253 0.9629 0.9170 0.9479 1.0552 1-palmitoylglycerol (16:0) 1.1013 1.0036 0.5701 1.1709 1.0051 1.4120 0.6713 0.7237 0.9194 3.4398 1.2081 1.1228 1.1928 1.3235 1.5373 1.3144 1.1002 0.8322 1.1213 0.9224 1.2619 1.0660 1.4079 1.1370 0.5701 1.1286 0.5701 0.7282 0.9520 0.7818 1.2776 1.1038 1.3416 1.0493 1.2445 0.7098 3.9848 0.6623 0.8028 1.5257 1.0986 0.9373 0.7152 2.0438 0.9256 0.9914 1.0000 0.8154 1.1090 0.9511 0.5701 0.7574 0.9473 2.0943 1.0701 0.5759 0.9467 0.8943 0.8787 0.5701 0.9963 0.7487 0.7602 0.9121 0.9154 0.6320 0.9297 0.9428 0.8628 1.8265 0.5999 1.3612 1.2996 1.2113 0.7805 1-palmitoyl-GPC (16:0) 0.7571 0.9201 1.0784 1.0138 1.3566 1.1594 0.9754 0.8397 0.9620 1.1198 0.9488 1.1371 0.7149 1.1158 1.3077 1.0950 1.0980 0.9749 1.1549 0.8654 1.1738 0.8851 1.0687 1.0805 1.0383 0.9973 0.9610 1.0467 0.7509 0.9451 1.0397 1.1716 1.1368 0.8059 1.1079 0.8301 1.1167 0.7907 1.0452 0.9563 1.0371 1.2404 1.0065 1.0000 0.8723 1.2060 0.6897 0.8772 1.1052 1.1863 0.8805 0.8511 0.8115 1.0645 0.9718 0.8144 1.1441 1.1201 1.0212 0.8508 1.0310 0.9022 0.8908 0.9831 0.8273 1.0769 0.9988 0.8265 0.8646 0.8960 1.0987 0.8979 1.0460 1.1038 0.9972 1-palmitoyl-GPE (16:0) 1.2147 1.4744 1.1409 1.3353 2.3912 0.8077 0.7606 0.5975 1.1465 0.8985 0.7335 0.9009 0.3884 1.2590 1.5134 1.2441 1.3590 0.9187 1.0701 0.7321 0.7562 0.9270 0.8649 1.4301 1.0106 0.7242 0.9897 0.7857 0.6095 0.8782 1.0285 1.0695 1.0458 1.1240 1.1956 0.7931 1.5397 0.4911 1.0500 0.8707 1.3293 1.0063 0.9206 0.9969 0.8123 0.9523 0.9465 0.7382 1.1340 1.5369 1.0624 0.5240 0.6291 1.2012 1.0574 0.6214 1.2723 1.2709 0.8670 1.0640 1.3861 0.5888 1.2475 1.0277 1.2792 0.8195 0.7644 1.0918 0.6807 1.2638 1.0000 0.8754 0.9793 1.8953 0.8365 1-palmitoyl-GPG (16:0)* 0.4548 1.1354 1.1571 1.5246 0.6494 0.6246 0.4617 0.6027 0.8580 0.6591 1.2031 0.6677 0.4548 1.1991 1.1440 1.2436 0.4548 1.1035 0.8407 0.4548 0.4548 0.7270 1.2564 1.1762 1.4925 0.4548 1.1109 0.4548 0.8530 0.4548 0.9284 1.2493 1.7786 0.7076 1.0004 1.1420 1.3890 0.4548 0.5196 0.8341 0.8587 0.9996 0.6715 1.2951 1.1860 1.1467 0.4548 0.5953 1.1720 1.0299 0.4548 0.4548 0.4548 1.5952 1.4588 0.6742 1.9228 1.1819 0.7650 0.4548 0.4548 0.5139 0.8107 0.7557 0.6425 0.4548 0.7611 2.1135 0.5914 0.4548 0.4548 0.8511 1.1457 1.4974 0.8081 1-palmitoyl-GPI (16:0) 0.2304 1.7784 0.2304 0.2304 1.3349 0.8511 0.2304 0.3739 0.2304 2.6886 0.7229 0.2304 0.6238 1.8700 0.2304 0.3531 2.4455 1.8908 0.2304 0.4773 1.7250 0.6369 1.0132 1.4610 2.8920 0.2304 2.7103 0.2304 0.2304 0.6336 0.2304 0.2304 1.4349 0.2304 1.3998 0.2304 5.5848 0.2304 0.4293 1.3370 0.2304 0.2304 1.7274 4.9071 0.2304 0.2304 0.7321 1.0000 0.5188 1.1238 0.7132 0.2304 0.2304 0.9132 0.2304 1.5199 3.8039 0.2840 0.2304 0.2304 0.2304 0.8346 2.0312 0.7819 0.6530 0.2304 0.3351 0.6842 0.2304 0.8778 1.4633 0.5803 0.3697 6.0265 0.2304 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 0.9287 0.8030 0.9537 0.8306 0.9676 0.8440 0.9629 0.9912 0.9739 1.0540 0.7899 1.0328 1.0025 0.8041 1.2079 1.1113 1.0590 1.1026 1.0275 1.0130 0.9275 0.8837 1.1709 1.0421 1.0000 0.8771 0.7182 1.1058 1.1166 1.0672 1.0846 1.5540 1.1414 0.8209 0.9907 0.8957 1.0763 1.0358 0.9083 1.1585 0.8112 1.1073 1.0643 1.0273 0.9862 0.9345 1.1175 0.9641 0.8953 0.9820 1.0934 1.0335 0.5160 1.1444 0.9105 1.0464 1.0343 1.0167 0.9817 0.9769 1.0147 0.7616 0.8591 1.1782 0.8642 1.1612 1.0964 0.8174 1.0763 0.8990 1.3316 1.1264 0.8921 0.8739 0.8593 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1.3732 1.4908 1.0318 1.2976 0.6908 1.1956 0.8575 0.6051 1.0234 0.9078 1.1962 0.6529 0.8875 0.8811 1.8798 1.1912 1.3414 0.9409 0.7174 0.6694 0.5322 1.0704 1.2087 1.6211 0.7905 0.6745 0.7636 0.6857 1.3394 1.4328 1.0123 1.8649 1.1048 1.2619 1.3817 0.7650 1.7557 0.7177 0.8904 1.3021 0.6804 0.9381 0.9491 1.1890 0.7907 0.9285 1.7877 0.5957 0.9878 1.2089 1.0245 0.4404 0.5054 1.8648 1.0805 0.5829 0.9588 1.4843 0.5402 1.2115 1.0000 0.5635 1.3899 1.8878 2.1584 0.6516 0.7113 0.9521 0.7650 1.2336 1.1558 1.5051 0.7890 1.7133 0.7984 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1.0264 0.9507 1.1607 1.2387 1.1210 1.0803 0.7130 0.9097 0.7869 0.9507 1.3181 0.8390 0.8900 1.1678 1.7203 1.2377 1.0049 1.0771 0.7743 0.6864 0.9968 0.9707 1.0057 1.3237 0.9559 0.7483 0.8252 1.0000 1.1500 1.4911 1.1196 1.5671 0.9169 0.9510 0.8954 0.7824 1.1235 0.7516 1.0011 1.2800 0.8346 1.0401 0.8850 0.8569 0.6494 0.9045 1.1209 0.7963 0.9236 1.0740 0.9443 0.7601 0.5073 1.4410 0.7949 0.7082 1.0659 1.0367 1.0223 1.2967 1.3524 0.8779 1.0204 1.3941 1.0576 0.9389 0.8386 1.0542 1.0663 1.2897 1.0057 1.2258 0.8701 0.7680 0.7224 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.5617 0.1333 0.1333 1.3449 0.7347 2.0763 0.6533 0.4787 1.3278 1.4057 2.2165 1.0539 0.1333 2.1396 0.6322 2.0357 0.1333 0.6872 0.1333 0.1333 0.1333 2.3752 0.7451 1.9113 0.7740 1.3627 1.7159 0.6235 0.5049 4.0549 2.4849 1.6549 0.3343 1.8457 1.2765 0.4996 1.5661 2.5873 1.0175 1.3185 1.3913 1.8737 0.1333 1.5486 1.0000 0.9363 0.4459 0.3360 0.9937 0.2103 0.8774 0.6792 0.4847 2.2230 0.5047 0.6945 0.6698 0.1333 0.4856 0.7265 0.1333 0.6511 0.1333 1.6111 0.1333 0.7124 1.7990 0.4336 0.8747 0.1333 1.5450 1.7002 0.1333 2.2767 0.1333 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 0.9101 0.7844 0.9552 1.1452 0.9639 1.0000 1.1070 1.0561 0.8743 1.1446 1.0708 0.8390 0.8378 1.0862 1.0630 0.8642 1.0908 1.3379 1.0188 0.8748 0.9991 0.9759 1.1066 1.0684 1.1041 0.8839 1.0246 1.1203 1.0150 1.0521 1.1702 1.2676 0.7751 0.8284 0.9513 0.9813 1.1405 0.9899 1.1610 1.1149 1.0366 0.8668 0.7705 0.7600 0.8955 1.3050 0.7917 0.9170 1.0458 0.9831 1.0127 1.0939 1.0890 0.9734 0.7674 0.9403 1.0026 0.9301 1.2800 0.8001 0.8354 1.3928 0.8625 1.0798 1.1127 1.0335 0.9167 0.8341 1.0512 0.8010 1.2069 0.9551 0.8737 0.8386 1.3740 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 1.6212 1.8350 1.0407 2.5344 0.5192 1.5864 1.0097 0.6184 0.7416 0.9316 1.8816 0.5129 0.6672 1.0191 1.8501 0.8027 1.2639 1.4237 0.7542 0.5209 0.6225 1.3018 1.2349 2.3865 0.7147 0.5476 0.8769 0.6931 1.4358 1.2545 1.0000 1.4640 0.7984 0.9239 1.1009 0.7645 1.6288 0.4531 0.9882 0.9260 0.6407 0.7207 0.5883 0.6314 0.5898 1.6417 1.4247 0.4794 1.4063 1.9484 1.0365 0.3340 1.6315 1.9938 0.8487 0.4338 0.8012 1.1401 1.1309 1.0438 0.7595 1.2675 1.6236 2.0081 4.2059 0.5741 0.4278 0.9322 0.5278 1.1581 0.7471 1.1604 0.8501 1.6875 1.5781 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 1.3873 1.6145 1.0619 1.9565 0.9608 1.1034 1.0625 0.9240 0.9598 0.7368 1.2359 0.7663 0.8459 1.2688 0.9853 0.9952 1.3395 2.1370 0.6440 0.8947 1.2105 1.0000 1.1462 1.4594 0.8373 0.4954 1.3789 0.8865 1.0470 1.5218 1.3178 1.7285 0.7282 0.9038 0.9579 0.9488 1.5499 0.6401 1.1698 0.9806 0.5053 0.9166 0.5883 0.6762 0.6999 1.5066 1.2912 0.5955 0.9896 1.3323 1.5039 0.5656 1.5762 1.5428 0.5948 1.0816 0.8592 0.9655 1.3009 1.2941 1.1142 1.9040 1.5901 1.0637 1.8666 0.7159 0.7128 0.9826 0.9883 0.9566 1.3185 0.7863 0.6489 1.9188 1.1078 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.8867 0.6654 1.1331 1.1543 1.0307 0.9661 0.8892 0.9223 0.9531 1.2057 0.9304 0.7333 0.8770 1.0413 1.0753 0.7967 1.5190 1.0370 1.0370 0.8206 0.8703 1.0525 1.3588 1.3126 1.0471 0.7014 0.8681 0.9843 1.0466 1.0233 1.2726 1.3676 0.7592 0.6818 1.2775 0.7166 1.2646 1.0282 1.1559 1.2511 1.3230 1.0447 0.8403 0.7199 0.6569 1.5611 0.8641 1.0000 0.9780 1.3061 1.2693 0.9779 0.9391 1.0242 0.8257 0.7874 1.6156 0.8661 0.9971 0.6605 0.9698 1.5562 1.1766 1.4482 1.1639 0.9474 0.7780 0.8719 1.0874 0.8921 1.0309 0.9727 1.1646 0.9245 1.2694 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 1.5783 1.4602 0.7104 2.2924 0.4102 1.5120 1.1664 0.7102 0.7998 0.8094 1.5204 0.4930 0.8778 0.9498 1.5976 0.8506 1.1879 1.1281 0.5472 0.6355 0.5551 1.3770 1.4753 2.9841 0.7019 0.5738 0.5220 0.6548 1.8995 1.7850 1.2384 1.6567 1.1642 0.6422 1.2302 0.6791 1.4676 0.5646 1.3949 1.0417 0.7662 0.8124 0.6557 0.6364 0.6402 2.3410 1.4833 0.6351 1.4456 1.8266 1.0000 0.3034 1.8899 1.8394 0.8259 0.3481 1.1130 0.8648 1.1453 0.9439 0.6679 1.5777 2.5750 2.6826 4.2980 0.7646 0.6003 0.8784 0.7631 1.1461 1.0949 0.9701 0.9264 1.4906 1.4305 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 1.4627 1.5263 1.0098 2.1292 0.6201 0.9274 0.9381 0.8976 0.9159 0.4730 1.0460 0.4569 0.6218 1.6672 0.6823 0.7683 1.9824 1.5081 0.6739 0.7111 0.8577 0.9371 0.9712 1.8172 0.8906 0.3433 0.8005 0.9469 1.4675 2.0151 2.0450 1.2943 0.7341 0.5338 1.3089 0.7278 1.8701 0.6711 1.4720 1.0529 1.4728 1.0305 0.6151 0.7242 0.4027 2.3758 1.3678 0.8856 1.0000 1.3108 1.7046 0.5822 1.9465 1.1556 0.6372 0.5810 1.6639 0.9244 0.9084 1.0628 0.9767 3.5195 3.2555 1.4379 2.1640 0.9497 0.6102 1.0656 1.4289 1.4360 1.6745 0.6362 0.8142 1.8300 1.1986 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 0.4734 0.7174 0.6356 1.2337 0.7257 1.5576 1.2514 0.5457 1.2641 1.1405 1.3051 1.0000 1.4464 1.2233 0.5212 1.3792 1.1162 0.7244 0.2001 1.0315 0.1863 1.9847 1.1462 1.4775 0.7970 1.6933 0.9384 0.3516 0.7611 1.6567 1.7728 1.7750 0.4189 1.2287 1.2498 0.4217 1.2630 1.9591 2.0255 1.4089 0.9605 1.2952 0.7226 1.4909 1.2845 0.9563 0.4167 0.6918 1.2599 0.2492 0.4912 0.7979 0.8616 1.9379 0.7974 0.5746 0.5525 0.4345 0.4938 1.1442 0.9115 1.0189 0.8511 1.2685 1.0200 0.7660 1.3850 0.6602 0.9580 0.6661 2.0887 1.1465 0.7841 1.6977 0.9518 1-stearoyl-GPC (18:0) 0.4685 0.5166 1.0794 0.7248 1.3408 1.0901 1.0860 0.9584 0.8619 1.3097 0.9629 1.0435 0.7242 1.2252 1.3047 1.0516 1.0227 1.1722 1.1323 0.9342 1.1863 0.8348 1.2889 1.1873 1.1516 0.8872 1.0668 1.0680 0.7668 1.2256 1.2654 1.2972 1.1519 0.7215 0.9334 0.8984 0.9547 0.7747 1.0858 1.1111 1.2363 1.3173 1.0227 0.9428 0.9021 1.2581 0.4739 0.9782 1.0703 1.2355 0.7306 0.8229 0.7525 1.0196 0.7858 0.7618 1.2481 1.0828 1.0685 0.5352 0.7675 1.0000 0.6160 1.0441 0.5474 1.1106 0.8170 0.6543 0.8561 0.5963 1.2902 0.9981 0.8961 0.8523 0.9609 1-stearoyl-GPE (18:0) 0.7042 0.9115 1.2123 0.9669 1.6290 1.1200 0.9176 0.7306 1.0000 1.1269 1.0023 0.8980 0.6341 1.3693 1.6529 1.2354 1.1234 1.1594 0.9875 0.7807 0.7841 0.8798 1.1431 1.6082 1.0065 0.7178 1.1194 0.8425 0.6617 1.2780 1.1708 1.1427 1.0396 0.9639 1.1484 0.7520 1.3275 0.5958 1.1472 1.0815 1.2293 1.0814 0.9225 1.1219 0.8772 1.2643 0.6919 0.8499 1.1557 1.4265 0.8344 0.5407 0.7096 1.2637 0.8762 0.5766 1.2939 1.3457 0.8326 0.7929 1.1937 0.7476 0.9388 1.2760 1.0952 0.8371 0.7808 0.7644 0.6915 0.7789 1.1463 1.0563 0.8137 1.5152 0.8491 1-stearoyl-GPI (18:0) 1.0000 2.2523 0.8015 1.0190 1.9937 1.0134 0.7082 0.8465 0.7688 2.0584 1.3509 1.3366 1.0654 2.0073 1.5697 0.9149 1.7250 1.6687 0.6506 0.9065 1.2716 0.7586 1.1653 0.8621 2.0646 0.9966 1.7757 0.4837 0.7010 1.4887 0.7058 1.2174 1.1081 1.1007 0.9968 0.6448 2.7207 0.8677 1.0984 1.7590 0.5020 0.6665 2.0112 2.6628 0.7262 0.6305 0.5341 0.9769 0.9979 0.8907 0.6085 0.8073 0.5960 1.2152 0.7809 1.5644 1.5065 1.0668 0.5279 1.6852 0.6510 0.9235 1.2951 1.1770 0.6232 0.6173 0.9174 1.0179 0.6041 1.7296 1.3825 1.3889 0.7129 2.3838 0.3477 1-stearoyl-GPS (18:0)* 0.2898 1.0000 0.2898 0.4645 0.5462 1.1155 1.3141 0.2898 0.8983 1.6185 1.2863 0.7869 0.9940 1.2612 0.2898 0.8176 1.4256 0.2898 0.2898 0.6355 0.2898 1.0013 1.3056 0.9739 0.7734 1.4278 1.4846 0.2898 0.2898 2.9542 2.0304 1.3068 0.2898 0.8150 0.8139 0.2898 2.0162 1.7967 1.2054 1.7318 0.4347 0.8125 0.2898 3.0259 0.9735 0.2898 0.2898 0.5208 0.2898 0.2898 0.2898 0.2898 0.2898 1.2481 0.2898 0.2898 0.2898 0.2898 0.2898 0.5854 0.2898 0.2898 0.2898 0.6725 0.2898 0.2898 1.3541 0.3685 0.2898 0.4980 1.7626 0.7022 0.4581 2.6475 0.2898 2,3-dihydroxyisovalerate 0.3492 0.6777 0.9632 1.0250 0.5310 0.7926 1.7292 0.3492 0.5209 2.5655 0.9370 1.0369 2.2668 0.4427 0.9843 0.6406 1.0157 1.1222 2.4631 1.0322 1.1730 1.6513 1.5431 1.0869 0.4820 0.7018 1.5313 1.2849 0.8949 0.6613 0.3492 1.4490 0.7155 0.4167 1.1322 0.4216 0.8114 0.4562 0.7701 0.3492 2.0130 0.7233 0.5690 0.3492 0.8207 4.4956 0.3492 0.3492 1.5591 1.3200 1.5979 0.7658 3.7835 0.4562 5.1503 0.3492 2.3065 0.8220 0.6337 0.4063 1.1107 2.9501 20.0948 0.3492 2.2647 0.6724 1.1990 0.4786 3.2564 7.8398 0.7811 2.6962 0.7321 0.3492 0.3931 21-hydroxypregnenolone disulfate 0.9955 0.7225 1.3972 1.0291 2.8259 2.1834 1.9320 0.6146 0.7843 1.4709 1.4725 1.5159 1.1977 0.7725 0.6398 1.3817 0.9833 0.4552 0.7143 0.4330 1.2592 0.2785 0.8548 0.5029 0.7180 1.9465 1.8421 0.6439 1.4768 0.6165 0.6556 2.1388 0.7515 1.4938 0.6569 0.8805 1.3116 0.8673 1.5571 0.9378 2.1926 0.8199 0.7238 1.4429 0.5851 1.7044 1.0568 0.8172 1.2941 0.8613 1.1944 0.8982 1.1435 1.1551 1.1639 0.9801 0.9399 1.4369 1.6656 0.6476 0.8765 0.6018 0.5710 0.3504 0.4540 1.2395 1.9421 1.6169 1.6636 0.9239 1.0604 1.3603 1.0948 1.0000 1.6393 21-hydroxypregnenolone monosulfate (1) 0.2550 0.2550 2.3211 0.2550 2.5413 2.4725 1.4725 0.2550 1.1974 0.6088 2.2279 1.0350 0.9577 0.5053 0.4346 1.5684 0.8241 0.2550 0.2550 0.2550 0.9267 0.2550 0.2550 0.4680 0.5351 2.7548 1.0439 1.2407 0.8924 0.2550 0.4420 1.1528 0.7471 1.9086 0.4933 0.9620 1.6038 0.7916 2.1286 0.5443 4.4776 0.2550 0.4667 0.2550 0.2550 1.5833 1.3641 0.8904 0.8225 0.5316 1.3327 1.0811 1.9039 1.8784 1.2004 0.4491 0.8890 1.4158 2.7180 0.2550 0.2550 0.2550 0.2550 0.2550 0.2550 0.7664 3.1052 0.8165 0.9650 0.6515 0.6315 0.5834 1.6063 0.2550 1.8348 2-acetamidophenol sulfate 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.5836 0.3161 0.3161 0.3161 0.3161 7.2743 3.8213 0.3161 0.3161 0.6214 0.6365 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 1.3656 0.3161 0.3161 0.3161 8.6627 0.3161 0.3631 0.3161 0.3161 0.3161 0.3419 0.6273 1.5182 0.3161 1.7237 0.7551 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 2.2495 0.7885 0.3161 0.3161 0.3161 2.4040 0.3161 0.3161 0.3161 0.3161 0.3161 0.3161 0.6277 2.9825 0.3161 0.3161 0.3161 0.3161 1.2115 0.3161 0.3161 0.3161 2-aminobutyrate 1.0254 0.6639 1.2735 0.6112 0.6966 1.1584 1.1053 1.3776 1.1166 0.8757 0.9897 1.0130 0.7446 1.1290 1.1983 1.0191 1.0007 0.5512 1.4020 0.8660 1.2122 0.5151 0.7314 1.0384 0.8901 1.0818 0.8925 0.9394 0.8749 0.6325 1.2204 1.4335 0.8947 0.8535 1.1114 0.9939 0.7963 0.9698 0.6132 1.8316 0.9113 1.0662 0.9743 0.7422 1.1477 1.0000 0.7952 1.2843 0.6720 0.8402 0.8727 1.5718 0.9220 1.2036 2.0060 0.9679 1.3738 1.7096 0.8379 1.5471 1.9170 0.7324 0.8021 1.4273 0.7935 1.2869 1.1688 1.1821 1.2614 2.1693 0.8300 1.3360 1.1654 0.6439 0.8537 2-aminoheptanoate 0.8772 1.2797 1.1653 1.1233 1.1450 1.1622 2.2009 0.9299 0.7191 0.9607 1.5603 1.4555 1.1378 1.2721 1.1742 1.4397 0.4686 1.3172 0.9528 1.7039 1.0765 0.9926 2.0150 1.4589 0.9215 1.4019 1.2710 0.9425 1.5536 1.6605 1.4015 1.1485 1.1076 1.2039 0.6419 0.8885 0.6307 0.7913 0.8882 0.9967 0.7307 1.4869 0.7769 0.4603 0.8996 37.5814 0.4537 0.7225 1.6145 0.7909 0.4960 0.9067 0.5722 1.3765 1.2134 0.6515 0.5317 1.4361 2.7555 0.4612 1.0986 1.0425 0.8917 0.9817 0.9678 0.8782 2.2238 1.0000 0.6168 0.5874 0.7200 1.1594 0.8944 0.6194 2.0609 2-aminooctanoate 1.2232 0.3340 1.6845 0.9157 0.8823 1.2106 2.3258 0.6002 0.4884 0.5766 1.2072 0.7069 0.6216 1.7306 1.0466 1.1149 1.6822 5.5925 1.5353 1.7589 2.2736 0.2803 1.3997 1.8116 1.2552 1.1906 1.9826 1.8564 0.8040 1.0000 1.4115 0.5981 0.8021 0.7968 1.1357 0.2498 0.4412 1.2207 0.8816 0.9517 2.2694 1.4929 0.8858 0.3343 1.2414 9.5713 0.2848 0.3249 1.6030 0.9213 0.7156 3.4442 1.2337 0.5167 0.9835 0.7707 1.0588 0.5497 1.6573 0.5765 0.7366 0.7834 0.7219 0.5875 1.0834 0.7485 1.5961 0.5681 1.4567 2.5859 0.5310 1.6860 0.9506 0.6025 1.5851 2-aminophenol sulfate 1.0000 0.6801 2.9084 1.1909 1.3763 0.6039 1.5073 0.7045 0.8892 0.6709 3.3184 10.4840 11.2790 1.2366 1.1078 2.9784 2.4342 0.1172 0.8349 0.4119 0.5035 0.3961 0.4330 0.8485 0.2182 0.1497 3.3519 0.1775 0.5406 0.5455 11.8247 0.6850 1.6020 1.3857 0.1383 1.0242 0.6744 2.1342 3.1066 0.0755 3.4288 2.5390 1.7112 0.3111 0.6875 0.3291 0.1659 0.6524 2.6997 2.0963 1.3918 1.0557 0.1627 8.8569 2.3370 0.5538 0.4709 1.8442 4.4629 0.4350 0.3250 0.8354 2.1356 0.4049 3.1390 3.1794 8.2977 0.5339 1.5747 0.0126 0.0733 4.0753 0.1529 1.7402 1.4446 2-arachidonoylglycerol (20:4) 1.0563 0.6740 0.9287 0.3063 0.3063 1.5294 0.3063 0.3063 1.0199 1.0000 1.5116 0.3063 1.0482 0.3063 1.8602 1.5135 1.0202 0.9349 0.5509 0.3063 1.1064 0.3063 0.7275 0.3063 0.3063 0.8509 0.4380 0.7516 0.3063 0.3063 1.3244 0.7864 0.3063 1.2617 0.7532 0.9070 0.7782 0.3063 0.3063 1.3635 0.3063 0.3063 0.3063 0.9247 0.3063 1.2784 0.3063 0.9252 1.0262 0.5846 0.3063 0.3063 0.3063 1.9731 0.3063 0.3063 0.3063 1.6744 0.3063 1.1785 1.3172 0.3063 0.3063 0.7436 0.7230 0.3063 0.9012 0.3063 0.3063 0.6088 1.3465 0.3063 1.0147 0.3063 0.3063 2'-deoxyuridine 1.0686 0.9975 1.4128 0.5828 1.8369 1.0916 1.3754 1.3265 1.3908 1.1240 1.5400 1.1076 1.2133 0.8391 1.0951 1.0025 1.7574 1.1501 1.3920 1.4629 1.0960 0.5424 0.7864 1.2675 0.6206 0.9689 0.6449 0.6360 1.2134 0.8296 0.5918 0.8520 1.0725 0.7255 0.9630 1.2105 0.7652 1.3920 0.5755 1.3039 0.9678 0.9519 0.5836 0.4807 0.4807 0.4807 0.8304 1.1605 0.8373 1.0479 0.7954 0.8982 0.7294 0.8205 1.1091 0.5806 1.4066 1.1981 0.9049 1.0512 0.7014 0.7852 1.1038 1.2963 0.8590 0.9865 1.0886 0.7180 1.0631 0.9629 0.4807 1.1005 1.4278 0.7455 0.8681 2-hydroxy-3-methylvalerate 0.5040 0.5927 1.3519 0.5837 1.2569 1.0134 1.5340 0.4326 1.4673 1.3596 0.7984 0.8535 0.7385 1.2445 1.5081 1.5450 0.8918 0.7578 1.4638 0.3683 1.4948 0.5325 0.6928 0.9590 0.8379 1.6024 0.5246 0.6915 0.8888 1.0742 1.1105 2.8037 1.5847 0.5111 1.0580 0.4672 1.8697 1.1518 0.5788 0.9207 1.2211 0.8421 0.4969 0.5297 0.9169 1.6157 0.5845 0.7559 1.2331 1.1373 1.7449 0.7915 2.6404 0.9048 1.1046 0.4220 2.0271 1.0543 1.0000 1.4699 2.2460 0.9227 0.9153 2.5234 1.0527 1.4424 0.9674 1.2529 1.4770 1.8944 0.7767 0.7712 1.4037 0.5497 0.6999 2-hydroxyacetaminophen sulfate* 0.1621 0.1621 0.1621 0.7620 0.1621 1.9084 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 3.9679 0.1621 0.1621 0.1621 1.1727 0.1621 0.1621 0.7902 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.2519 0.1621 0.4470 1.1217 0.1621 0.1621 0.1621 3.3257 0.1621 2.1949 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.2597 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 5.0089 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.1621 0.8783 0.1621 2-hydroxybutyrate/2-hydroxyisobutyrate 0.9841 0.6880 1.0000 0.6308 0.6172 1.2682 1.0080 1.0657 1.1986 1.0336 1.0689 0.6418 0.9499 1.1889 1.2111 0.9713 0.8416 0.5969 0.6800 0.4660 1.3016 0.4741 0.7988 1.2468 1.1600 1.1708 0.7561 0.8134 0.8609 0.5677 1.1568 1.7281 0.6438 0.6739 1.2504 0.9890 0.9144 1.2378 0.6235 1.6728 1.0454 1.1965 1.3051 1.0035 1.2182 0.6351 0.9949 0.7728 0.7782 0.9922 0.7712 1.0310 1.0920 1.5815 1.4671 0.8472 1.3061 1.2363 0.6154 2.6185 1.9915 0.7613 0.9146 2.2707 0.6731 0.9605 1.0962 1.0523 1.7909 1.8837 0.9517 1.1333 1.5373 0.5446 0.8197 2-hydroxydecanoate 0.6883 1.6342 1.7544 1.4750 0.7531 2.0500 1.1186 1.3792 0.9156 0.8290 1.2199 1.4121 0.6502 1.1646 0.8793 0.7307 1.2002 1.3292 0.8163 1.7450 0.8455 0.8305 1.3368 1.1637 0.5517 1.0507 2.1610 0.8621 1.0000 1.2962 1.8887 0.7749 0.5246 0.8762 1.1805 0.6211 1.3865 0.7584 1.5310 0.9488 2.0648 1.1133 1.4978 0.6534 0.7678 29.9560 0.5445 0.5982 1.4836 0.6672 1.0000 0.8318 2.8769 0.8573 0.9267 0.8993 1.5423 0.9770 0.8757 0.8614 1.0473 3.4148 1.3084 2.2381 0.9282 0.9151 1.2951 0.8399 1.2803 0.8631 0.3925 0.9260 1.5530 1.1052 1.9129 2-hydroxyglutarate 0.2673 0.5072 0.2884 0.7386 0.9069 0.9130 0.8100 1.7403 0.9239 1.0194 0.6988 1.0597 1.1455 1.2563 0.9125 1.1705 1.0396 1.0420 0.8154 2.5100 1.0810 1.1342 1.4532 1.1734 0.8893 1.0406 0.7549 0.5552 0.4253 1.8505 1.7790 0.9704 1.5790 1.1362 0.9490 0.4938 1.0809 0.8647 1.0795 0.9930 0.6719 0.9197 1.2770 0.8134 0.8539 1.5828 0.8283 0.9304 0.7350 1.0792 0.7927 0.6572 1.2362 1.6339 0.8952 0.9433 1.0000 1.4332 0.5188 0.6085 2.4085 1.1222 1.0982 0.9586 1.2626 1.0035 0.9002 1.0706 0.6059 1.1113 1.0005 1.0091 1.1453 1.0110 0.8706 2-hydroxyhippurate (salicylurate) 1.8577 0.2005 0.9444 0.6785 5.5500 2.4453 0.3206 0.2005 1.8221 1.0014 0.2005 1.3488 1.6349 0.3470 0.2005 4.6537 0.4822 0.6647 5.5528 1.4740 1.8274 0.5732 1.5430 0.7761 0.2005 0.2588 1.9254 6.0315 1.1120 4.5328 1.0242 0.2022 0.2005 1.5602 2.6066 0.2864 0.7894 0.2565 1.4362 0.6438 1.4620 2.0691 0.3234 0.2005 0.2472 0.6584 0.2005 1.1205 1.1042 1.8406 0.2005 0.4164 4.3458 0.7937 1.0076 0.2005 0.2005 0.2005 0.8281 0.4657 0.9986 1.7155 1.1463 0.4517 0.7808 0.9476 0.5179 0.6014 0.2005 1.4309 0.2005 0.8866 0.8160 0.9823 1.0138 2-hydroxyibuprofen 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 2-hydroxylaurate 0.9248 1.1668 1.4628 0.9148 0.9315 1.7195 1.1804 1.2085 0.7321 0.6581 1.1631 0.9802 0.9549 0.8706 0.9491 0.8603 0.6227 1.1026 1.5494 0.9391 1.5870 0.5750 1.0240 0.8703 0.9203 0.9491 0.7742 1.0369 0.8025 0.8197 1.5238 1.0209 0.9428 1.2720 0.9871 1.2390 0.9810 1.3585 1.4668 0.8428 1.5061 1.1981 1.5326 0.7078 0.8198 8.8319 1.4396 0.7939 1.1470 0.9828 1.1449 1.0000 0.8183 0.9708 0.8699 1.2484 0.9848 1.0018 1.1180 0.9711 0.8461 1.2621 1.1117 0.6346 0.8991 1.5812 1.3361 1.1036 0.9043 1.4230 1.2046 0.8192 1.0744 1.2503 1.6068 2-hydroxyoctanoate 0.7136 0.3318 1.4286 1.2442 1.0000 1.1061 2.1620 0.4603 0.4783 0.9266 0.8917 0.8874 0.4673 0.9953 0.7901 0.6021 1.2717 19.4582 1.4936 1.6117 1.8724 0.3932 1.2673 1.5591 0.7807 1.0786 1.1360 1.0344 1.3412 1.0894 1.4360 1.1431 0.7066 0.5118 4.8856 0.4420 1.3733 0.8293 2.0821 1.6847 1.6228 1.1169 0.6521 0.3420 0.8278 17.5213 0.3128 0.5319 1.1301 0.8302 0.9881 3.8323 2.1409 0.5564 0.4556 0.7850 0.8886 0.3452 1.6847 0.4803 0.8645 1.3630 1.0071 0.7574 1.3328 0.6232 1.0706 0.9285 1.1394 3.1535 0.4995 1.1996 0.9475 0.5562 1.5781 2-hydroxypalmitate 0.8975 0.8152 1.1100 0.9638 1.3490 1.1877 0.8462 1.0966 1.2255 0.8147 1.3627 1.1477 1.1277 0.9539 1.1238 1.2391 1.0223 1.1088 1.0747 0.9879 1.2525 0.8947 1.0984 1.0581 0.6927 1.0052 0.9948 0.8786 0.9657 1.0577 1.5365 1.0826 0.7645 1.0753 1.2108 0.9180 1.0456 0.8724 1.2151 1.2523 1.0250 0.8207 0.8975 0.8108 0.9961 0.9821 1.0240 0.7581 0.8911 0.8839 0.7011 1.2352 0.6577 1.1446 1.0485 0.7820 0.5195 1.0084 0.6639 1.0538 1.5978 1.0000 0.7010 0.8965 0.6120 0.7719 0.9014 1.0394 1.0098 1.0806 0.7955 0.7517 0.8329 1.0671 0.8608 2-hydroxyphenylacetate 0.6076 1.0740 1.6403 1.6000 1.4791 1.6740 2.4585 0.1468 2.2768 0.6941 1.1326 1.8044 0.9249 0.3318 0.7796 1.8521 0.7207 1.0000 0.7095 0.6086 1.5037 0.7164 0.6808 1.6254 1.5888 1.3233 0.7799 1.3700 1.1018 0.6880 0.8039 1.0797 0.5612 0.5807 1.0953 0.6070 0.9456 1.4809 0.8828 0.5524 1.1658 0.7744 1.2503 0.9860 0.8451 2.1779 0.4446 0.8019 2.3265 0.7447 1.5076 0.9030 2.9290 0.4320 0.7336 0.8267 1.1170 0.2545 1.5415 0.7326 0.4568 1.0779 1.5747 1.0111 1.4031 0.8933 1.1616 0.6061 1.3417 0.6760 1.4137 0.9526 1.4693 1.2167 1.2994 2-hydroxystearate 0.7092 0.8880 1.1208 0.7771 1.3854 1.1255 1.1396 1.0246 1.0657 1.0505 1.3947 1.0830 1.0115 1.0952 1.0159 1.0075 0.9225 1.1593 0.8042 0.9849 1.2297 0.8437 1.0328 1.0054 0.9183 0.9968 1.1891 1.0000 0.9722 1.1303 1.2070 1.3774 0.8069 1.0998 1.1359 1.1109 1.2358 0.8861 1.0716 1.4532 1.0628 0.9425 1.0889 1.2173 0.8780 1.1501 0.8640 0.9158 0.9599 1.0528 0.8033 1.0524 0.7094 1.1651 1.0440 0.9198 0.9062 0.8546 0.7491 0.8481 0.9012 0.9734 0.6725 1.1158 0.5669 0.9331 0.8096 0.8045 0.9930 0.8001 1.1298 0.9013 0.8644 0.9652 0.8373 2-keto-3-deoxy-gluconate 0.2560 2.1483 0.1841 1.6918 0.5447 2.8702 0.6983 1.5740 0.5226 1.7373 0.6737 1.0000 2.3052 1.3604 1.7528 1.2690 1.4719 1.5540 0.2655 0.7768 0.4110 0.4980 0.1640 0.7105 0.2127 0.3325 0.3189 0.2036 0.2512 0.9402 0.2048 0.2353 0.4743 0.2777 0.9713 0.5905 1.8271 2.8923 1.7781 3.1005 1.1321 1.5174 1.3882 1.2120 0.4353 0.7054 0.3361 1.1775 2.6969 1.5308 0.2585 2.8809 1.2526 1.0792 0.7917 0.8699 2.2746 3.1529 0.1700 1.2898 0.2486 2.1851 4.1366 0.7800 0.3496 0.2003 0.9041 1.4525 1.9216 1.9227 2.5779 1.2348 1.9298 2.5688 0.9124 2-linoleoylglycerol (18:2) 0.1907 0.1907 0.1907 0.8090 0.1907 1.2880 0.6375 0.8551 0.1907 1.1265 0.1907 0.1907 1.1475 2.6592 1.2252 1.0210 0.7060 0.6773 1.6535 0.6536 0.1907 0.1907 0.1907 0.4448 1.5195 1.5276 7.4155 1.0548 0.1907 0.1907 0.1907 0.9265 1.1036 0.3827 0.6914 0.1907 0.1907 0.1907 0.1907 0.1907 0.8944 0.1907 3.0668 2.5986 1.7536 0.9790 1.0962 0.9563 1.3392 0.1907 4.0032 0.1907 0.7661 2.5640 0.1907 0.1907 2.1590 0.9351 0.1907 0.1907 0.1907 0.3827 1.2300 0.6556 0.8429 0.3702 0.1907 0.6012 0.1907 0.6886 0.6644 2.8446 0.1907 1.1561 0.1907 2-methoxyacetaminophen glucuronide* 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 1.6166 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 0.3834 2-methoxyacetaminophen sulfate* 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 1.7038 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 1.0000 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 0.5728 2-methylbutyrylcarnitine (C5) 0.4842 0.8124 1.1185 0.5537 1.1614 1.7895 2.6898 0.4149 0.8338 1.1408 1.5942 1.2387 0.9088 0.9181 1.4501 1.0814 1.2000 0.9677 1.5494 0.8261 1.7257 0.6510 1.6907 1.6295 1.2954 1.0000 0.5846 1.3228 1.5889 0.6207 0.9229 1.5360 0.9234 0.9369 1.0069 0.5792 0.9699 2.1213 0.7383 1.1615 1.3297 1.1073 0.5012 0.7331 0.9612 1.3207 0.7329 0.9977 1.0463 0.6594 0.8366 2.2913 1.5214 0.9013 0.9918 0.7885 1.4831 0.8025 1.5472 0.9226 0.6129 1.0190 0.7265 1.4114 0.6538 1.4840 1.7490 1.3608 2.0684 0.9476 0.7037 0.6947 4.4698 0.6943 1.4418 2-methylbutyrylglycine 0.3381 0.6020 0.2311 0.2311 0.9597 1.1792 0.8282 0.7731 0.8746 0.2311 0.9067 1.8845 0.8577 0.7450 0.9856 1.0199 1.2008 1.5545 2.6123 2.1877 1.7616 1.0175 1.3335 0.5192 1.1294 0.2311 4.9308 1.0075 0.8134 1.1067 0.9994 1.0310 0.2311 0.9372 1.0678 0.3862 0.9493 0.5256 1.0799 0.7696 2.3823 1.0285 0.7692 0.9165 0.9194 0.9276 0.2311 1.1020 1.8921 1.0470 0.5493 1.2021 0.5423 1.0637 0.2311 0.7526 0.9851 0.3461 1.0128 0.8153 0.2311 0.2311 0.7195 1.2561 0.4966 1.2034 1.0006 1.3152 1.0809 3.4346 0.7079 0.2311 1.1358 0.6891 1.3455 2-methylcitrate/homocitrate 0.0892 0.1350 0.0892 0.0892 0.1237 2.7095 0.0892 0.0892 0.0892 1.8366 0.0892 0.0892 1.4455 0.0892 1.6989 0.2154 0.0892 0.0892 0.0892 0.0892 1.2793 0.0892 1.0142 0.0892 0.1580 0.0892 0.0892 0.0892 0.0892 0.3539 0.0892 0.7882 0.0892 0.2172 0.2343 0.0892 0.9858 1.0359 0.0892 0.0892 0.0892 0.0892 0.2299 0.0892 1.0312 0.0892 0.1412 0.0892 0.0892 0.3739 0.1246 2.8903 1.4466 0.4775 0.0892 0.0892 1.6292 0.0892 1.1506 0.0892 0.7228 0.0892 0.0892 0.7476 1.8621 0.0892 1.9367 1.4063 1.6233 0.0892 0.0892 0.0892 1.6964 0.0892 0.0892 2-methylmalonylcarnitine (C4-DC) 0.8689 0.9924 1.2797 0.8962 3.0676 1.2769 0.9224 0.7163 0.8102 1.4883 1.5078 1.3355 1.0144 0.9583 1.5877 1.5013 1.6457 1.4139 3.8985 1.1278 1.3151 0.8921 1.5581 1.6846 0.6793 0.9900 0.5120 1.7098 1.0568 0.9981 0.9433 1.8141 0.9287 0.9086 0.9373 0.7618 1.4185 1.7489 1.3060 0.7441 0.7287 1.0541 0.9558 0.9614 1.0236 0.4756 0.7424 0.4810 1.1347 1.0347 0.6784 1.1777 1.4572 1.6369 0.7473 0.6325 0.7998 0.4756 1.9168 0.5948 1.2015 1.0737 0.8927 1.0139 1.1324 0.9233 1.1458 1.5589 0.9465 0.7544 0.6828 1.0019 0.6395 0.6774 0.8395 2-oleoylglycerol (18:1) 1.2621 1.7828 0.0781 1.2305 0.8006 1.5250 0.0781 0.9347 0.6603 0.0781 1.5099 1.0682 0.9645 1.3288 1.0913 0.0781 1.3232 0.7915 0.7716 1.4484 0.7296 1.2836 0.9778 0.8061 1.1422 1.3775 0.0781 0.9695 0.0781 0.8576 0.0781 0.9863 0.0781 0.5045 1.1422 0.5290 1.5150 0.8354 1.3877 0.9206 1.4176 0.8430 0.0781 0.0781 0.0781 1.5030 1.0633 0.0781 1.3881 0.5433 0.0781 0.5526 1.2124 1.4600 0.5570 1.2387 1.7697 1.0000 0.0781 1.3134 0.9826 0.7975 0.5991 7.4119 0.0781 0.0781 0.7579 0.7792 0.5286 0.7319 0.0781 1.8318 0.0781 2.5856 0.0781 2'-O-methylcytidine 0.7702 0.9855 1.1935 1.2212 1.0932 1.0265 1.1742 0.8294 0.9838 0.8537 1.6669 1.0090 0.8686 0.9466 1.0595 1.0621 1.1630 1.1824 1.3280 1.5434 1.1326 0.6336 1.1625 0.9665 0.8027 0.8864 0.6327 0.9975 0.9118 1.2686 0.9849 0.9775 0.7283 0.7752 0.9163 1.2636 1.0278 0.7114 1.0477 0.9028 1.2313 1.1002 0.7711 1.5963 0.9948 1.4338 1.0045 1.4905 1.0356 1.0077 0.8437 0.9999 1.0763 0.7044 0.8129 0.6945 1.0032 0.9025 0.9012 1.0120 1.1828 1.2184 0.9726 0.7643 1.0000 1.1108 0.6267 1.3011 0.9533 0.9643 1.2831 1.3811 1.1025 0.9377 0.8114 2-oxindole-3-acetate 0.4525 2.0573 0.9486 2.8380 1.4617 1.1948 1.6775 1.2170 1.2761 1.3325 0.7650 1.4646 0.2803 0.4224 1.3873 0.9638 2.2459 18.1683 1.9708 0.9426 1.0404 0.3566 0.7353 0.6866 0.9750 0.7496 6.1065 0.4561 0.6264 1.8556 0.4862 0.9365 0.4065 0.4142 2.7482 1.0019 0.5980 0.6152 1.4694 0.5091 0.9466 2.6385 1.5807 0.4990 0.4229 2.0034 0.6923 0.5197 1.0000 0.5420 2.6972 0.7077 1.6114 0.5345 1.7421 0.5327 1.6889 0.6876 0.6835 1.0032 1.2701 3.8879 3.0973 1.5248 2.1673 1.5037 0.6218 0.3181 1.2412 0.5091 8.4889 0.6143 1.8756 0.4813 8.5091 2-oxoarginine* 1.0000 0.4398 0.8143 1.6140 0.6044 1.6130 1.4229 0.6433 0.4301 1.3472 1.3286 1.0154 0.9608 0.8238 0.6178 0.6535 1.4946 1.0205 1.5697 0.7547 0.7034 1.0736 1.2627 2.8405 1.4849 0.6293 0.4067 0.9775 2.8208 0.4224 0.8382 0.8477 0.7398 0.2573 0.6298 0.7344 0.6160 1.4157 0.5461 0.6472 1.5237 1.5365 0.3834 0.5062 0.5763 11.9546 2.2127 1.5315 1.0575 4.2834 1.3488 1.2089 3.9475 0.5518 0.7212 0.2764 0.9432 0.5828 2.0378 0.4680 0.8551 2.4800 1.0379 1.8585 1.4954 1.2717 0.8982 1.6358 1.7563 1.2622 1.3488 0.4674 2.3084 0.3151 1.5514 2-palmitoleoyl-GPC (16:1)* 0.8543 0.7170 1.6942 1.4032 1.3290 1.3937 0.5326 0.8915 1.5757 1.0000 1.4318 0.9837 0.6956 1.4308 1.2167 1.3024 1.3384 1.1235 1.1471 0.6687 0.8613 1.6888 1.2986 1.7309 1.0072 1.3947 0.9197 0.7561 0.5965 0.7915 0.6741 1.3780 0.7988 0.7441 1.2109 0.5601 1.0624 0.6120 1.1686 0.7076 0.8769 2.1710 1.3495 1.2336 0.7212 1.5162 0.3054 0.6710 0.6522 1.1705 0.8658 0.8859 0.7728 1.1971 1.1178 1.0400 1.1565 1.0627 0.9001 0.5236 1.1244 0.4420 0.7028 1.1057 0.7701 0.8250 0.8594 0.7075 0.6478 0.5593 0.6631 1.0150 1.0248 2.8687 1.0220 2-palmitoyl-GPC (16:0)* 0.6001 0.6320 1.3281 1.0000 1.8851 1.3207 0.8858 0.8253 0.7838 1.4132 1.1802 1.0097 0.6594 1.2594 1.6718 1.4425 1.0920 1.1761 1.2206 0.6324 1.2235 0.8198 1.2499 1.6011 1.1743 0.9054 0.9960 0.9817 0.5805 0.9374 1.2742 1.4274 1.2943 0.8647 1.3671 0.7377 1.1079 0.6185 1.0118 1.0061 1.1655 1.9032 1.2391 0.9713 0.8503 1.0807 0.4884 0.9569 1.2011 1.6120 0.8258 0.7121 0.7063 1.4001 1.1162 0.6537 1.5417 1.5154 0.9042 0.5784 1.2212 0.8732 0.8654 0.9893 0.8219 1.1160 0.7595 0.8477 0.8308 0.8719 1.2145 0.8856 0.8506 1.2115 0.6199 2-piperidinone 1.3006 0.3799 1.6731 0.9148 1.1256 0.4778 2.2640 6.1103 0.6605 0.4726 0.8756 0.3802 0.5659 1.0085 0.9757 1.3894 0.9047 0.3775 0.6670 1.1608 1.2835 1.0440 4.4914 1.0664 0.3176 4.3031 0.4345 1.0831 1.7465 0.6362 1.5104 1.2348 0.9170 0.4889 1.6941 0.4556 0.5172 2.0488 0.4969 1.1019 5.1591 3.6766 1.7763 0.6088 3.0139 0.2496 0.4977 2.7224 1.9694 0.5694 0.5794 2.0476 0.8251 0.7036 5.6399 0.4448 1.4639 1.7535 3.7143 0.4840 2.3973 0.5342 0.6541 3.3284 0.3295 3.2734 1.0000 1.5390 1.9177 0.4472 0.8823 0.9103 2.6407 0.9738 0.6037 2-stearoyl-GPE (18:0)* 0.4356 1.2848 0.9814 0.8425 1.9325 1.0014 0.9162 0.6652 0.9684 1.3773 1.1429 0.8322 0.6535 2.3745 1.8976 1.2075 1.0000 1.2733 0.9673 0.5636 0.9536 0.7230 1.2055 1.0912 1.6328 0.8029 1.9101 0.9759 0.4602 1.0453 1.1992 1.2632 1.2739 1.0164 1.3537 0.6737 1.3957 0.7427 1.4014 1.0035 1.4882 0.9249 1.0277 1.8182 0.6900 1.6990 0.4546 0.7391 1.3132 1.4326 1.0980 0.4641 0.6932 0.9381 0.8970 0.8603 2.1390 1.1465 0.8530 0.9376 1.0475 0.8118 0.7500 1.2471 0.9406 0.9481 1.0999 0.4102 0.7221 0.8470 1.2113 1.4226 0.7698 1.6471 0.9081 3-(3-hydroxyphenyl)propionate 1.1097 0.1392 2.3691 2.2724 0.4684 0.8808 0.6981 1.2105 0.3722 2.8684 0.9852 0.7846 1.0879 1.0610 0.4950 0.3376 0.6766 1.4513 0.7216 0.4781 1.0902 0.9081 3.0920 0.8014 0.1392 1.8307 1.0148 0.1392 1.0932 0.6507 0.7557 0.1392 0.2231 0.1392 0.7737 0.9454 1.6869 0.6145 0.4239 0.3033 1.4729 0.3860 1.0807 0.1392 0.5696 22.0874 0.4407 0.1392 3.0547 1.6704 0.1392 1.6673 1.5065 0.6824 2.2332 1.6655 0.3934 1.3390 2.1855 0.9229 2.2952 1.4100 0.9563 3.7252 0.8968 2.6300 0.6141 0.5938 1.1463 0.1392 0.1392 1.9619 0.4298 2.5359 1.1092 3-(3-hydroxyphenyl)propionate sulfate 0.2312 0.1835 1.8217 0.9780 0.3413 0.7460 0.8759 0.9847 0.4481 5.0330 0.1835 1.4814 1.5188 1.7328 0.6977 0.1835 0.4842 2.1048 1.0533 0.5032 1.0666 0.6054 4.0617 0.9423 0.1835 0.1835 0.6786 0.1835 1.4223 0.7257 1.1321 0.1835 0.1835 0.1835 2.5288 0.8375 1.7900 0.5418 1.6099 0.6708 1.3613 0.6451 1.0153 0.2407 0.1835 18.6088 0.1835 0.7354 2.5931 2.1536 0.1835 1.6280 5.4765 0.2461 2.7660 3.7510 1.4184 0.7044 1.8923 0.1835 2.1767 0.8580 0.3699 3.8502 0.5915 2.5158 0.2806 0.5623 0.8377 0.1835 0.1835 3.1293 0.1835 1.0675 0.8517 3-(4-hydroxyphenyl)lactate 0.5179 0.5489 1.2595 0.7274 0.8729 1.1861 1.9158 0.5754 0.5821 0.6036 1.1179 0.9881 1.0415 0.8085 0.9280 1.3510 1.0778 0.9847 1.0879 0.8946 0.9728 0.7039 1.3766 1.2238 1.1077 0.7078 0.5889 0.9543 1.3419 0.5229 1.7890 1.8612 1.1655 0.5257 1.0883 0.7803 1.3305 1.0693 1.0821 1.1140 1.2109 1.3040 1.0169 0.7785 0.4951 0.8993 0.7105 0.7311 1.2011 1.1021 0.8206 1.0000 2.0531 1.1835 0.9995 0.5702 1.3574 0.6765 1.4304 0.4837 1.2351 0.8120 0.5389 1.2521 0.8115 0.7085 1.0000 1.4792 0.8562 1.2543 1.2294 1.1796 1.9807 0.5799 0.7373 3-(cystein-S-yl)acetaminophen* 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 3-(N-acetyl-L-cystein-S-yl) acetaminophen 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 3,4-methyleneheptanoate 1.3884 1.7889 0.6976 1.1665 1.1956 0.5792 1.4710 0.6010 1.5065 2.2718 1.4930 1.5089 0.7500 0.9708 0.7838 0.3256 0.8564 0.7949 1.3733 2.5120 1.0421 0.6104 2.0133 1.0046 0.6924 0.3256 1.4946 0.9706 0.4620 1.5748 0.7365 0.7735 0.8465 1.1871 0.5375 1.1660 0.5370 1.2793 0.7121 0.9954 0.3972 0.7295 0.9378 0.7656 1.2651 0.5199 2.2002 2.1738 0.5791 0.7707 1.5152 1.9266 0.3256 1.0234 0.6540 1.2176 0.5140 0.6327 1.3770 4.5104 3.8057 0.5381 0.3256 1.2606 3.0497 0.9907 1.0090 0.9620 3.1659 1.1165 0.7892 0.4538 0.5740 2.2682 1.8820 3,4-methyleneheptanoylcarnitine 1.1312 0.2780 1.1921 1.0016 0.2780 1.6655 4.8293 0.2780 0.6287 1.0468 2.1297 0.2780 0.8485 0.2780 0.2780 0.2780 0.2780 0.7097 1.6962 1.5309 0.8998 0.6604 0.9616 0.6974 0.8839 0.2780 0.2780 1.0753 0.2780 0.9735 0.2780 1.3456 0.6369 1.1815 0.2780 2.3697 0.3744 2.4124 0.7935 0.7205 0.2780 0.5302 0.3177 0.2780 1.8875 0.2780 0.4492 0.7121 0.6639 1.0855 1.1826 1.0000 0.2780 0.4970 0.2780 0.7513 0.2780 0.5483 1.3352 0.2780 0.2780 0.7301 0.2780 1.0416 1.7540 1.7872 2.9236 1.1888 1.7021 0.7507 0.2780 0.2780 0.3038 0.2780 3.1035 3,7-dimethylurate 0.9670 0.4601 0.6763 0.2065 0.6080 0.7707 0.3080 0.1181 0.9560 0.1181 0.1181 0.4564 0.1181 0.1181 0.1181 0.1181 1.4162 1.0330 0.7124 1.3182 3.7308 0.1181 1.4170 1.6495 2.5074 1.0513 4.8613 2.2363 0.1181 1.5322 1.0821 0.1181 0.6202 0.4504 4.0127 1.8316 0.2729 0.3793 1.5186 1.6844 0.4115 1.1489 0.7649 0.4300 0.1181 9.7507 0.8085 1.6980 1.1957 0.8364 1.1344 0.4223 7.4815 0.3133 0.7488 0.1181 3.9481 0.1815 1.4927 0.1181 0.6270 2.0738 0.1181 1.0761 1.9464 0.1181 0.1181 0.3023 0.5832 0.8665 0.1181 1.2969 1.9261 0.3967 0.1181 3-acetylphenol sulfate 0.3997 0.3997 0.9054 0.3997 0.3997 0.3997 0.3997 0.3997 0.3997 1.0240 0.3997 0.3997 0.3997 0.3997 0.3997 0.3997 0.3997 1.0301 0.3997 0.3997 1.3995 0.4725 3.2587 1.8919 0.3997 0.3997 0.4894 1.8225 0.9221 0.3997 0.4828 0.3997 0.3997 0.3997 1.3114 0.3997 0.3997 0.3997 1.6815 0.3997 0.8408 0.3997 0.3997 0.3997 0.3997 8.8961 0.3997 0.3997 0.9109 0.9499 0.3997 0.3997 6.6541 0.3997 1.2135 0.4975 1.5074 0.3997 0.8297 0.3997 0.3997 1.7705 0.3997 1.0341 0.9760 0.7646 0.3997 0.3997 0.6734 0.3997 0.3997 1.3210 0.4457 0.3997 0.3997 3-aminoisobutyrate 0.8099 1.3190 1.4256 1.0665 1.2860 0.7356 0.8703 0.5290 2.4562 0.9473 1.1309 1.7762 0.6104 0.7176 1.7854 1.0111 1.0641 0.9380 1.6969 1.3678 1.2938 0.3922 1.4755 0.4834 0.8258 1.0838 0.7475 1.1386 0.3602 1.4296 0.1305 0.4964 0.4989 1.3796 1.0000 1.4042 1.0439 0.8213 0.7209 1.3936 1.2059 0.9140 1.1562 0.5233 0.7633 0.8868 0.6606 0.7828 1.0455 0.5468 0.9092 0.9559 2.0443 0.6941 1.4455 0.5111 1.3507 1.6072 0.9158 1.7965 1.3176 2.7737 1.1794 0.3941 0.8848 0.7339 0.6317 1.1310 1.4010 1.1279 0.1580 0.7738 1.6415 1.1547 0.6444 3beta,7alpha-dihydroxy-5-cholestenoate 1.0001 1.2099 1.3467 1.0777 1.4069 0.9762 0.5876 1.2700 0.9877 1.0650 0.8509 1.3011 0.7112 1.0077 1.2697 1.1522 1.3450 1.7308 0.7609 1.0000 1.4608 0.6848 0.8381 0.8808 0.5332 0.3773 0.7281 1.0261 0.3946 0.5196 1.3235 0.8055 0.5898 1.1862 0.4999 1.5557 1.6064 0.8596 1.2232 0.8735 1.7998 0.7089 1.4027 1.1606 1.8828 0.8590 1.3229 1.0914 0.8058 0.3331 0.4411 1.4299 0.8895 0.3022 1.3529 1.0298 0.9219 1.2393 1.5226 1.2684 1.3205 0.6351 0.3903 0.2852 0.6203 0.9497 0.6524 1.0388 1.1151 0.9661 0.4412 0.9224 0.8630 1.5111 1.0368 3beta-hydroxy-5-cholestenoate 1.0343 0.8009 1.3098 0.9475 1.5691 1.8210 1.0400 1.1785 1.1552 0.7687 1.1655 1.1985 1.1354 0.6844 1.4322 1.1547 1.1531 1.2164 1.1956 0.6392 1.3579 0.6731 0.7287 0.8788 0.7036 0.7743 0.6634 1.2789 0.7439 0.6510 1.1443 1.0315 0.9519 0.8164 0.6688 0.6699 1.1157 1.0428 1.1470 0.7759 1.5441 1.1631 1.0586 0.9109 1.5573 0.9630 0.9713 1.2724 1.0580 0.5939 0.5855 1.3252 1.0308 0.4042 1.1849 0.6825 0.9648 1.0430 1.2921 0.9406 1.0536 1.0069 0.4763 0.3072 0.5828 1.0112 1.1443 0.8821 0.7777 1.0000 0.7264 0.6952 0.8879 0.8439 0.6099 3b-hydroxy-5-cholenoic acid 0.3873 1.4549 0.3873 0.3873 1.2403 1.1268 0.7315 0.9917 0.7771 0.3873 1.6196 0.8958 0.8514 0.9480 0.8700 1.0317 0.3873 3.6916 1.5926 1.0307 0.3873 0.9434 0.3873 0.3873 0.8029 0.3873 1.8053 0.8032 0.3873 0.3873 1.4085 0.8318 0.3873 0.7879 0.4479 1.5285 1.1854 1.1034 0.3873 1.4045 1.3414 1.3357 0.7909 0.7083 0.9376 1.5988 0.3873 1.2063 0.6582 0.4044 1.4785 1.0000 0.5595 0.3873 1.1738 1.6128 1.3039 0.5245 0.3873 0.3873 0.3873 0.9306 0.3873 0.3873 0.4742 1.3564 1.1694 0.3873 0.3873 0.3873 1.1350 0.7178 0.6091 2.8346 0.8367 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 1.1317 0.5862 0.2136 2.5413 12.9711 2.3605 0.9048 0.6917 1.7456 1.5601 0.0969 0.3416 0.9548 1.6582 0.3513 0.2283 0.8446 0.3128 0.8785 2.9535 0.2256 0.5432 0.4643 2.0011 1.5963 0.4286 2.6544 1.1019 0.6821 0.5213 6.3915 1.1516 1.7992 1.1219 1.5038 1.3088 0.6774 1.2704 1.2811 2.6386 10.3697 1.0665 0.1251 1.6723 1.1980 1.1146 0.4397 2.7664 0.4043 1.4474 1.6698 0.3781 1.0000 0.5381 1.1833 0.9481 1.6176 0.6989 0.0714 1.1340 0.3811 0.5480 0.0834 0.7149 0.4393 1.3384 0.2595 1.1307 1.5657 1.6757 0.5358 0.6318 1.6982 0.0771 0.5714 3-hydroxy-2-ethylpropionate 0.4826 1.3672 1.2721 0.6329 1.2621 1.1709 0.7702 0.7359 1.2796 0.9288 1.0095 0.5824 0.8342 0.8053 1.2788 1.6535 1.3258 0.8942 1.5662 1.3057 1.5318 0.3607 1.3174 1.3947 0.7394 1.1661 0.8581 1.0185 0.9876 0.6351 0.8425 1.7549 1.0771 0.9819 1.7452 0.6771 1.0000 1.1815 0.9554 0.7824 1.1722 0.9382 0.7326 0.9234 0.8843 0.7862 0.7504 1.0012 0.6114 0.7721 0.9647 1.6921 1.3367 1.0508 1.0300 0.5473 1.5358 0.7028 0.7763 1.2155 1.4584 0.8132 1.0279 1.0233 1.0055 0.9914 0.7171 0.8080 1.1202 1.0971 0.5387 0.8762 1.1217 1.2442 1.0060 3-hydroxy-3-methylglutarate 0.7640 1.6895 0.9232 1.1507 0.9594 1.3511 0.8748 0.9660 1.2709 1.0676 1.0422 1.2257 1.3387 0.9692 1.2199 1.1003 1.4598 1.6132 1.2045 1.2649 1.1014 0.9830 1.6027 0.9465 0.8774 1.0153 0.8946 0.7685 0.9380 1.2529 1.1897 1.0598 0.6011 0.7825 1.0242 0.7233 1.2220 1.1885 1.5436 1.4587 0.7200 0.9667 0.9041 1.6951 0.9294 1.0642 0.9742 0.8549 0.9400 1.0899 1.2773 0.8389 1.4259 1.1072 0.8002 1.2756 0.8997 0.9247 0.8815 1.3112 1.4438 1.2828 1.0000 0.8237 0.9948 0.7840 0.9990 0.9728 0.7528 1.0603 0.7939 1.5622 0.9388 0.9869 0.8694 3-hydroxybutyrate (BHBA) 1.6260 2.4542 0.7938 0.7310 0.6001 0.9720 0.2301 2.1185 2.3434 1.3798 0.7603 0.7901 0.7476 2.6823 1.9928 1.2364 0.6487 1.0324 0.6264 0.1875 1.7044 0.3738 0.8472 0.2419 0.6156 2.4081 4.1792 1.0193 1.0474 2.7137 2.5142 1.4166 0.3135 1.0757 2.5499 0.5307 2.8116 0.5026 2.5309 4.0897 1.5699 0.4070 4.9140 0.9350 1.2462 0.8204 2.5651 0.1873 1.0000 0.3092 0.4390 0.6247 1.9550 1.2949 0.8187 2.7405 2.0370 2.1792 0.3091 16.8273 9.9522 0.4034 0.9297 0.6864 0.3470 0.3999 0.4927 1.2048 2.1421 2.8644 0.3009 0.4168 0.4017 2.5856 0.6774 3-hydroxybutyrylcarnitine (1) 0.6710 1.7561 1.4664 0.6776 0.7860 1.2368 0.6726 0.8716 1.3677 1.1019 1.3603 1.0000 0.5606 1.6507 2.0655 1.2036 0.6752 0.8835 1.2879 0.5293 1.6264 0.5872 1.9363 0.5503 0.9610 1.4722 3.3232 0.8557 1.2031 2.3786 1.8639 1.5772 0.4485 1.3369 1.1318 0.7257 1.2995 0.9495 0.8117 3.2890 0.6324 0.6350 1.9911 0.8193 2.0406 0.6000 2.1229 0.2631 0.8431 0.7547 0.5413 0.5998 1.0662 1.8010 1.2540 1.4496 0.9643 1.4882 0.5951 6.7267 3.6126 0.6836 0.9975 1.2535 0.5605 0.4931 0.9201 1.4175 1.8560 2.6717 0.4409 0.8366 0.6794 1.4498 0.7883 3-hydroxybutyrylcarnitine (2) 0.9507 1.7208 0.9646 1.5026 1.0137 0.8845 0.7536 1.2220 1.1125 1.0540 1.2918 0.5380 0.8203 1.1846 0.8664 0.8126 1.0629 1.4455 0.8415 0.8268 1.4425 0.8569 1.3469 0.6178 1.0332 1.1085 2.7415 0.8296 0.9386 2.4958 1.7529 0.8693 0.7154 1.2627 1.1037 0.7450 2.9940 1.3237 2.5070 1.5448 0.6045 0.7250 1.9567 0.6433 1.2977 0.6034 1.0338 0.4417 1.1663 0.6670 0.6897 0.4239 0.8001 2.1454 1.0818 0.8292 0.5242 0.9793 1.0960 3.4851 2.4773 0.6301 0.8935 0.7270 0.5860 0.6712 0.7963 1.3353 1.4531 1.3187 0.4403 1.0000 0.4829 1.8567 1.0330 3-hydroxycotinine glucuronide 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 3-hydroxydecanoate 0.9551 1.0469 1.4258 1.1623 0.7715 0.8418 0.5632 0.7428 1.0143 0.7528 0.9501 1.0521 1.6061 1.7499 0.8720 1.0531 1.2983 1.0000 0.8040 1.3908 0.8490 0.6464 1.7064 0.4787 1.0685 0.7795 1.3443 1.2559 1.5473 0.9055 2.1770 0.9512 0.6448 0.8138 1.9877 0.6228 1.2734 0.9724 1.3556 1.1751 1.1270 0.6978 1.8395 1.0965 1.4246 1.2656 1.5419 0.4603 0.8523 0.7200 0.8565 0.6954 2.2836 1.0699 0.6529 1.5226 1.2236 0.5454 0.4193 2.8741 2.1152 0.8579 0.8427 0.5289 0.3857 0.3760 0.4959 1.6067 1.8687 1.3081 0.5477 0.9027 1.1653 1.8132 0.7482 3-hydroxyhexanoate 0.8363 1.6126 1.0674 1.0206 0.8973 0.9456 0.5782 0.8348 0.9876 1.1505 0.9376 0.8271 1.1335 1.2935 0.9767 1.1174 1.3363 1.2379 1.2479 1.4639 1.1085 0.4625 1.5000 0.5262 1.1240 1.4536 1.7612 0.9630 1.0712 1.1188 1.3309 1.0071 0.7864 0.8210 1.4219 0.6171 1.3697 0.9442 1.2273 1.3463 0.8699 0.7179 1.3102 0.7344 1.0617 1.1526 1.3634 0.6707 0.8628 0.5235 0.6557 0.6472 1.0000 1.3434 0.7995 1.0427 1.1318 0.9215 0.6003 4.2035 4.8673 0.5733 0.8427 0.8869 0.9155 0.5816 0.5039 1.3375 1.4763 1.5657 0.4130 0.8505 0.8508 1.5812 0.8340 3-hydroxyhippurate 0.7243 0.1783 2.8188 2.3204 0.7264 1.3575 0.8796 0.6292 0.4509 1.9214 1.0110 1.0127 2.8744 1.0003 0.8449 0.4947 0.4690 2.3713 1.2632 0.5777 1.4932 1.2977 5.6132 2.2739 0.0291 1.4571 0.9811 0.0939 1.5760 0.6156 0.6796 0.1004 0.2585 0.2371 2.0609 0.9694 1.3975 0.5637 1.0734 0.2591 1.3189 1.1174 1.2175 0.4472 0.3320 16.0108 0.0635 0.3660 2.8611 2.7222 0.1958 1.3724 3.9685 0.8025 2.7315 1.0718 0.5436 1.3288 4.3608 0.1122 1.2996 2.5810 0.8060 4.9232 0.9997 4.4547 0.4519 0.4781 0.7056 0.2093 0.0291 3.0415 0.6654 1.5268 0.9807 3-hydroxyisobutyrate 0.5435 1.0934 0.9561 0.8429 0.9417 1.2814 1.0512 1.2208 0.5737 1.5048 1.5193 1.0000 1.1088 0.7582 0.9679 1.3328 1.4617 0.5463 1.3482 0.5570 1.8858 0.4796 1.4708 1.3855 1.4298 0.9126 0.9068 0.8201 1.3136 0.2730 1.1386 1.3322 0.7761 0.8793 1.9127 0.8167 1.3134 1.2780 0.7629 0.8689 2.1947 1.1543 0.9951 1.1134 1.0003 0.7183 1.4402 1.0050 1.3630 0.7440 0.6327 1.0173 3.3811 0.9612 0.8137 0.3578 2.1683 1.3412 0.7524 0.2730 0.2730 0.8939 0.9238 1.7249 0.9755 0.9103 0.8335 0.7597 3.0182 2.1299 0.7826 0.7770 1.3706 1.0002 0.9685 3-hydroxylaurate 0.9883 1.1110 1.1103 1.3304 0.8116 0.8174 0.5328 0.6800 1.0854 0.6573 0.8368 1.0000 1.5469 2.3872 0.7744 0.9459 1.6823 1.2232 0.9440 1.7004 0.8923 0.5682 1.9441 0.5990 1.0383 0.8678 1.5123 1.6318 1.4254 0.9750 2.1198 1.2138 0.6325 0.9421 2.6179 0.7156 1.2984 0.9774 1.4048 1.1586 0.9271 0.7412 1.6473 1.0645 1.2412 1.0314 1.9852 0.5831 0.7627 0.6710 0.8629 0.9230 1.9183 0.9707 0.7056 1.3486 1.4964 0.5667 0.3001 1.3135 2.4265 1.2591 1.1379 0.7337 0.3385 0.3808 0.4613 1.8066 1.5185 1.5483 0.7700 0.9102 1.2194 2.1284 0.6216 3-hydroxyoctanoate 0.8370 1.1955 1.2675 1.0003 0.8066 0.7697 0.7214 0.7145 1.3949 1.0171 1.0000 0.9697 1.2217 1.4866 1.0271 1.0368 1.1752 1.1472 0.9904 1.4162 0.9126 0.5418 1.7904 0.4417 0.9223 0.7777 1.2903 1.1230 1.2775 1.1231 1.7429 0.8519 0.7043 0.7442 1.5308 0.5976 1.3170 0.9218 1.1605 1.2732 1.0129 0.7447 1.5109 0.8836 1.2939 3.5139 1.4040 0.5807 0.9626 0.5632 0.8155 0.7576 1.7856 0.8996 0.6002 1.4180 1.0866 0.6273 0.5541 3.8446 3.1402 0.6655 0.7352 0.6537 0.7193 0.4915 0.5326 1.4528 1.6003 1.3210 0.4646 0.8900 1.0579 1.5040 0.7386 3-hydroxyproline 1.1659 0.7120 0.8446 1.1264 0.8513 0.6077 1.1213 0.7569 1.1398 1.2010 0.7701 0.6015 1.1370 1.0081 0.9777 1.0365 1.0695 1.4391 1.2530 1.1925 1.1820 1.0415 1.0379 0.7909 0.8479 0.8393 0.8034 1.0500 1.1438 1.0228 0.9590 0.8898 0.8634 0.8030 1.0274 1.0903 1.1308 0.8398 0.9331 0.6614 0.9365 0.8873 0.9668 0.9444 1.0000 1.0834 0.9199 1.1284 0.9045 1.2291 1.1261 0.9381 0.5409 0.7403 1.1398 0.8650 0.5036 1.0029 1.0906 0.8888 1.6055 0.6628 0.8448 0.9436 1.1977 0.8919 1.1305 1.1918 1.0735 1.0381 1.0269 0.6492 1.1698 0.7932 1.1052 3-hydroxypyridine sulfate 0.0837 1.8424 0.2838 0.6238 2.1094 1.7054 1.6358 0.4829 1.0149 0.4571 0.2581 0.9509 0.4698 0.3317 0.9052 0.2806 0.6411 14.1218 5.1360 3.1448 0.6589 0.5507 3.3027 2.4024 4.3877 0.0745 1.3513 42.8746 1.9548 2.9990 2.8693 0.5218 0.8004 0.8774 0.9085 0.3193 3.0494 0.4775 9.3148 0.5030 4.2704 2.5771 4.0532 0.3578 0.0977 10.6948 0.3370 0.4187 2.4957 3.2983 0.7632 0.1732 10.1269 0.2200 4.6901 0.2161 1.5490 0.0745 0.8311 0.3188 1.9629 1.9737 0.8001 5.9821 2.1404 2.9392 0.9499 3.4637 4.5434 1.2635 0.3268 1.2173 0.2923 0.0745 1.0000 3-hydroxysebacate 1.0229 2.0643 2.6020 0.5414 0.8637 1.0081 0.4898 0.6789 1.6777 0.8768 1.2541 1.1904 1.0801 1.0747 1.2229 1.8120 0.5707 2.3081 0.4032 0.9303 1.1941 0.5953 1.6595 0.4705 0.6117 1.3071 2.7892 0.9311 1.6668 1.5106 1.3344 1.1048 0.4032 0.7493 1.9996 0.4753 2.5452 0.5576 1.2391 2.6098 0.6745 0.5799 1.8169 0.9095 1.2307 4.1070 0.9616 0.4032 0.5910 0.6668 0.7710 0.5310 1.8815 1.5029 0.6278 2.2941 0.6879 0.9919 0.7615 10.6522 4.2087 0.4032 0.6439 0.5220 0.4738 0.5302 0.5460 2.0190 1.8738 1.1844 0.5058 0.6742 0.8622 2.5232 0.8456 3-hydroxystearate 0.8637 0.9556 1.4229 1.2709 0.8397 1.1321 0.9301 1.0028 1.0000 0.9180 0.8372 0.7590 1.1563 1.4069 0.9039 1.0816 1.0979 1.2065 1.0293 0.9844 1.1973 0.6042 1.5391 1.1105 1.0478 0.8821 0.8893 0.8250 1.2524 1.1165 1.8870 1.0965 0.8677 0.8180 1.3309 0.6657 1.1814 1.0911 1.0655 1.1844 0.9535 0.8680 1.4082 0.8878 1.3419 1.1043 0.7996 0.8815 1.1235 1.1279 0.8480 0.9108 1.5058 0.8394 1.1416 0.9101 1.0824 0.6012 0.7190 0.8524 1.4911 1.2964 0.9589 0.9402 0.8282 0.7304 0.7230 1.5671 1.1455 1.1178 0.8416 0.9238 1.1988 0.8697 0.8006 3-indoxyl sulfate 0.7755 1.4264 1.2083 1.0897 1.2596 1.4016 1.6982 0.7045 0.8944 1.5316 1.1863 1.1568 0.6326 0.2517 1.2415 1.4322 0.6597 1.2823 0.9196 1.2823 1.4125 1.4740 0.6322 1.1328 0.0515 0.4521 0.7461 0.2216 1.8515 0.9910 0.7043 1.0000 0.6672 0.2698 1.8142 1.4886 1.0773 0.5289 0.4839 1.2142 1.4557 1.9422 1.0845 1.6400 0.8730 1.0170 0.6872 0.6929 0.5422 0.3130 1.0449 0.8793 1.3537 0.5123 1.7430 0.6765 1.3924 0.8423 2.4919 0.7706 0.2878 1.1876 0.5423 0.5537 0.9366 0.7730 2.0839 1.2604 1.4036 0.6570 1.0023 0.9505 0.9900 0.5089 2.7956 3-methoxycatechol sulfate (1) 1.0938 0.0412 0.8572 20.8795 0.8002 2.0022 1.0527 1.5308 0.1754 7.0797 0.4944 2.9645 4.1588 0.6056 1.9091 1.2446 0.2838 2.9840 0.7358 0.3046 1.0985 9.6880 3.8959 2.1257 2.8733 0.0920 0.8106 1.3482 0.5023 1.3658 2.1460 0.1010 0.1464 0.2262 2.4323 2.1534 1.0276 7.1394 2.4106 0.0434 10.4038 0.5861 0.1719 0.7632 9.6378 3.8004 0.2115 0.0412 2.9482 2.6465 0.0704 1.6204 0.4529 0.2299 0.3240 0.0986 1.4070 0.6009 13.9449 0.2085 1.6090 0.3563 1.0000 1.8157 0.6726 1.6804 0.4491 0.8830 0.6977 0.1579 0.0412 0.3009 0.2132 11.0599 0.1921 3-methoxycatechol sulfate (2) 0.2790 0.2790 0.2790 1.2769 0.2790 0.4799 1.5857 0.2790 0.2790 0.2790 1.3278 2.5710 2.5447 0.2790 0.2790 1.5967 0.5112 2.2474 0.3184 0.2790 0.6537 1.7580 0.2790 0.6404 0.2790 0.2790 1.7986 0.4159 0.2790 0.4735 1.7540 0.2790 0.2790 0.2790 0.2790 0.2790 0.4913 0.6037 2.4710 0.2790 0.6438 1.0375 0.9007 0.2790 0.2790 0.9983 0.2790 0.2790 0.2790 1.6528 0.2790 0.2790 0.8939 0.8834 0.2790 0.2790 0.2790 0.5117 3.6693 0.2790 0.2790 0.3056 0.2790 0.4817 1.0017 1.6896 5.9497 0.2790 0.2790 0.2790 0.2790 0.9137 0.2790 1.2533 2.7996 3-methoxytyramine sulfate 0.9535 0.9032 0.9019 1.1327 0.4540 1.5165 1.1374 0.8461 1.2444 1.9414 0.7792 0.4540 2.4056 0.4540 1.1638 0.4540 1.1721 0.9992 0.8420 0.4540 0.4540 0.4540 0.4540 0.8803 0.9197 0.5745 1.0691 1.2626 0.9937 1.2238 1.4976 0.4540 0.7181 1.0547 0.9769 1.1258 0.4540 0.4662 0.5688 1.1078 0.6752 0.9637 1.1011 0.4540 0.9467 0.9563 0.4540 0.9359 1.5296 1.3825 1.4582 0.4540 3.1386 0.4540 0.4540 1.3159 0.4540 0.7523 1.0272 0.4540 1.0008 0.9549 0.8336 1.0936 1.7545 0.8421 0.4540 1.2072 0.4540 0.7994 0.8451 1.1975 1.5021 0.4540 0.8983 3-methoxytyrosine 1.2681 1.0299 0.9973 0.9907 0.9584 0.7871 0.7669 1.2860 1.2724 1.1921 1.1607 1.3541 1.9197 0.9238 0.7962 1.1457 1.0000 1.2355 0.4822 1.2097 0.8801 0.9151 1.1641 1.0010 0.5231 0.8809 0.8246 1.4709 1.2127 1.4902 1.6819 0.7026 1.3456 1.4278 0.9337 1.1290 0.9125 1.1261 0.9176 1.2030 0.9038 0.8043 1.0655 0.7775 1.0491 1.1185 0.7079 1.2189 1.0760 0.8676 0.8690 0.9637 0.8129 0.9190 1.2545 1.2668 0.6142 0.8975 1.3946 0.5897 1.2047 0.6834 0.9516 0.5879 1.1730 1.0505 1.3397 1.5866 0.7500 0.5873 1.1989 0.9809 0.6226 1.5647 0.8257 3-methyl catechol sulfate (1) 0.1076 0.1926 0.3674 0.3619 1.1414 0.6565 1.0000 1.9098 0.1444 1.0368 3.6394 0.5761 0.5963 0.0889 0.3702 0.5904 0.2208 3.2576 0.7626 6.0799 1.8807 2.7090 1.5800 1.8631 3.7881 0.0688 0.1866 12.0876 0.9595 2.6440 2.3992 1.0932 0.0688 1.0021 0.8081 1.0171 0.5941 1.0458 2.2326 0.1466 3.6397 3.3457 3.2874 0.2596 1.3939 8.2684 0.1398 0.3630 2.6617 1.1774 0.2043 0.4142 5.1955 7.3180 3.4943 0.1003 3.1219 0.0688 0.9273 0.0688 0.6631 0.8059 0.2689 4.1364 1.9329 2.7701 0.7294 1.8490 2.6272 0.9073 0.1489 0.6384 0.1857 0.0688 0.5237 3-methyl-2-oxobutyrate 0.6722 0.7390 1.1188 0.7788 1.1278 1.1058 0.8655 0.9405 1.0484 1.1379 1.0501 0.9286 0.8893 1.0137 1.2222 1.1749 0.9363 0.7576 0.9844 0.7057 1.2032 0.7278 1.1960 1.2334 1.1714 1.1602 0.7113 0.9363 0.9515 0.9858 1.1014 1.4587 1.0000 0.6603 1.1106 0.8145 0.8667 1.1528 0.7968 1.1769 1.2147 1.1017 0.8681 0.8942 0.9483 0.9896 0.8838 1.0453 1.1804 1.0267 0.9319 1.0644 1.5034 0.9753 1.1121 0.7268 1.0638 0.8577 0.8246 1.1190 1.2028 1.0277 0.9587 1.7151 0.8732 1.0870 0.9628 0.7549 1.3667 1.3148 1.0522 0.7456 1.2346 0.7616 0.8905 3-methyl-2-oxovalerate 0.5537 0.8553 1.2948 0.7915 1.1007 1.1511 1.2860 0.9316 0.8347 0.9609 1.0892 0.9292 0.8046 0.9085 1.2405 1.2135 0.7872 0.7777 0.8111 0.7144 1.3571 0.6477 1.5672 1.4303 1.1874 1.4111 0.6369 0.8461 0.9341 0.9360 1.1694 1.4391 1.0000 0.5779 0.9705 0.6805 1.0147 1.2340 0.6750 1.4279 1.2466 1.1242 0.5527 0.8776 1.1575 1.2799 0.8400 0.9369 1.3550 1.3079 0.8939 1.1312 1.4675 0.9115 1.1451 0.7117 1.3762 0.9153 1.2484 1.2885 1.1369 1.0204 0.8874 1.8869 0.9525 1.2007 1.2211 0.9972 1.4957 1.1960 0.9622 0.8482 1.2690 0.7505 0.9880 3-methylcytidine 1.0433 0.8510 1.1137 0.8078 1.1161 1.3849 1.4912 0.8874 1.0208 0.8032 1.1473 1.4039 0.9387 0.7325 1.5714 1.1233 0.8867 0.9876 1.6988 1.0866 1.0610 0.6612 0.8396 2.2824 1.2520 0.9719 1.0152 1.0009 1.0511 0.9417 0.7570 0.9803 0.4893 0.7558 1.4056 0.7059 0.8800 1.1019 0.9048 0.9658 1.0676 0.9492 0.8205 0.7402 0.8554 1.1263 0.8152 0.9017 0.8961 1.1037 1.0000 1.0533 1.2764 1.0787 0.8936 0.7917 0.7731 0.8628 1.3354 1.1970 0.9729 1.4888 1.3851 1.0496 1.4368 1.1242 0.9486 0.6548 1.2087 1.0751 0.9497 1.2748 1.2272 0.6706 0.7517 3-methylglutaconate 1.4146 1.8519 0.8768 3.6196 1.1669 1.0012 1.1032 0.7401 1.0374 0.6815 0.9620 0.8823 0.4399 0.5203 2.0780 1.1515 1.6039 2.4230 1.0000 1.3351 1.2115 0.4543 1.6108 1.2754 0.6857 0.6064 0.4412 0.6643 0.8038 0.7005 0.7208 2.1142 0.4282 0.3073 0.9346 0.6758 0.6057 1.1541 1.3174 0.7205 1.2676 1.0252 0.9258 0.4882 0.6624 0.7614 0.5780 0.6738 1.3767 1.0232 2.6408 0.8928 2.2458 1.4354 0.8321 0.7730 1.2492 1.0549 0.8527 0.6158 1.7404 1.2582 4.2818 0.6830 3.2066 0.8563 1.1558 0.9659 1.3944 1.2454 0.5079 0.6875 1.6288 3.7604 2.1285 3-methylglutarate/2-methylglutarate 1.1519 1.9232 0.3783 1.6494 0.9068 0.4480 0.5244 0.3080 1.2614 0.9032 1.4142 0.3630 0.7568 0.2798 0.4853 1.2160 1.2761 3.1236 0.2798 1.8438 0.8550 0.7989 0.9224 0.3158 0.2798 1.1723 0.3650 1.4532 0.4849 0.8915 1.5201 1.1817 0.2798 0.4199 1.4671 1.2276 0.4496 0.8869 1.2127 0.6957 0.9559 1.4105 1.3597 1.2614 0.2798 0.7129 0.6538 0.9393 1.0000 1.0529 2.3551 0.3259 1.7431 1.3381 0.6445 0.4624 0.5823 0.4950 0.2798 1.4922 1.9919 0.8949 3.0621 0.2798 2.4420 0.5778 0.6059 1.0096 1.0652 2.6155 0.4382 1.8939 1.4740 3.6756 1.7782 3-methylglutarylcarnitine (2) 1.8548 3.9346 1.1452 4.4834 3.4954 1.3662 0.8501 0.4155 1.2608 0.5683 1.2810 0.4921 0.6019 0.3753 0.8403 0.7974 2.8293 5.9366 0.8478 2.8841 2.9145 0.8172 0.4987 1.6224 0.5657 0.9615 0.4374 2.1328 0.6222 1.0723 0.7841 1.8926 0.1499 0.4071 0.9273 1.1073 1.1066 0.6055 0.9408 0.6651 2.4915 1.6247 0.8127 0.2263 0.1499 1.5159 0.3488 0.4556 0.9138 1.7000 3.7748 0.9904 2.2531 2.3837 0.8341 0.8763 0.8049 0.6197 1.1611 0.3660 0.6781 1.0096 15.0239 0.8561 9.9937 1.0467 1.4881 0.9677 1.0166 1.4465 0.2328 1.0247 1.4172 6.4089 2.7902 3-methylhistidine 0.9103 0.1258 0.2397 0.0326 2.7277 1.4298 3.2163 0.4411 0.1426 3.8061 0.0424 0.4217 0.0355 1.0588 5.6921 0.1105 0.7392 1.7176 3.5754 0.3203 2.1289 0.4732 0.9836 0.4815 1.0000 1.1343 0.0464 0.7837 1.1011 1.0682 1.0883 3.3542 0.1290 1.2930 2.1770 0.5026 0.0454 2.0353 0.0257 2.7417 2.0135 0.0481 0.0297 0.4867 2.4091 1.0018 0.0351 1.7376 0.0372 0.2501 0.5428 2.5815 3.7724 0.0580 1.3582 0.6183 1.2922 4.3589 0.8632 1.7772 2.4745 2.7168 0.8119 2.8457 1.0338 2.4433 0.2735 0.2376 0.7139 2.9547 1.2924 0.0590 4.1468 0.0383 2.5708 3-methylurate* 0.1269 0.1269 0.1269 4.1217 0.1269 0.1269 0.1269 1.2980 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 1.0000 0.1269 0.1269 0.2433 0.1269 0.1269 0.4122 0.1269 0.1269 0.2014 0.2381 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 0.7628 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 2.2535 5.1010 0.1269 0.1269 0.1269 0.1269 0.1269 0.1269 1.3637 0.1269 0.1269 0.1269 1.0295 0.1269 0.1269 0.1269 12.5966 0.1269 0.1269 0.1269 0.3052 0.1269 0.1269 10.7759 0.1269 0.1269 0.3062 0.1269 0.1269 0.1269 0.1269 3-methylxanthine 1.0453 1.2575 1.2260 0.6769 0.6800 0.6244 0.4045 0.1318 0.4265 0.3024 0.1318 0.9891 0.1464 0.1318 0.1318 0.2901 1.6203 1.7897 0.7181 1.1901 3.7607 0.1766 1.7658 1.7077 2.9253 1.4247 3.2573 2.4169 0.1401 1.5507 2.0746 0.1318 0.7859 0.5102 2.9486 0.6968 0.9127 0.2362 2.9244 1.2690 0.5966 2.7508 1.3639 0.6240 0.1318 21.1583 1.0699 0.8160 2.2961 1.5146 1.0000 0.4237 8.0193 0.6421 1.5709 0.1318 5.9428 0.2657 1.1973 0.1318 0.9717 2.2523 0.6567 0.7336 2.1769 0.1722 0.1318 0.3567 0.6635 1.2362 0.1318 3.0837 0.9949 0.3713 0.1318 3-phenylpropionate (hydrocinnamate) 0.1498 1.2737 0.0542 2.3858 0.8761 1.3464 1.4027 0.6901 0.5714 0.1961 0.4502 1.2615 0.1414 0.2729 0.3315 0.8230 3.2562 2.2877 1.0283 2.0873 0.5022 0.0542 0.1130 1.2721 0.0542 0.0542 2.2470 0.0542 0.7479 1.3956 1.5003 0.5524 0.8023 2.1314 2.7238 0.1455 1.3149 0.0988 4.3765 0.6803 1.1887 0.8952 1.6841 1.3593 0.2022 0.6746 0.5264 1.2273 0.2372 0.5044 0.9480 1.4817 3.9380 0.5846 1.4731 0.0542 1.5245 0.0633 0.7684 1.3531 0.1304 2.0200 1.8939 0.0616 2.4397 0.0542 2.3421 0.5615 2.1937 1.1386 0.9082 1.0353 0.9717 0.0542 5.4266 3-phosphoglycerate 0.7452 0.5354 0.8846 3.6226 1.8168 2.0265 1.3966 0.4187 1.1597 1.1352 1.2650 1.0379 1.9537 1.8170 0.4753 0.9900 1.5728 0.5043 0.4268 1.0504 0.4516 1.1746 2.6362 1.1411 0.5207 1.0000 3.8381 9.7509 0.8871 7.3532 1.6973 1.6998 0.6159 0.9664 0.7584 0.7761 2.0667 1.5869 1.3460 1.2787 1.6694 1.3969 0.4318 1.4805 1.3615 1.2519 1.6541 0.8157 0.9382 0.1433 4.1812 0.6844 0.3741 4.3624 0.5641 0.8163 0.1870 3.3743 0.8029 0.1890 0.2491 4.7921 0.3105 0.4928 0.4343 0.5209 0.6869 2.2565 0.5612 0.4577 0.6546 0.8676 0.6497 1.2389 4.0781 3-ureidopropionate 0.4613 0.7993 0.5173 1.0785 0.6344 1.1543 0.8232 1.7823 0.7476 0.9183 0.8788 1.1885 0.8880 1.1562 1.1624 1.5089 0.8890 1.0333 1.3071 2.2940 0.9600 0.6157 1.3932 1.6370 0.4212 0.6295 0.6408 0.9121 1.3795 0.8368 0.9599 1.7109 1.0573 1.0592 1.0032 0.6579 1.1637 0.8580 1.3774 1.1818 0.7066 0.9450 0.8591 2.8228 1.0455 1.6461 0.2498 0.5057 1.0490 0.8170 0.2498 0.8925 1.2307 0.9968 0.5592 0.4821 1.6373 0.6798 1.6558 0.7539 0.5716 1.0132 1.3424 1.1478 0.8390 1.2670 1.1748 1.0967 1.0800 0.6134 1.1016 1.2176 0.7132 0.8111 1.0133 4-acetamidobutanoate 1.6279 0.9500 0.9651 1.4710 0.9491 2.1619 1.3582 0.3842 0.8121 2.8896 0.6628 0.7043 1.8406 1.3086 0.7673 0.7240 1.2187 1.8577 1.0462 2.2689 1.0230 0.7999 0.8409 0.8849 0.7372 1.4804 0.9060 1.9164 0.7236 1.0142 0.6233 0.7195 0.3800 1.1411 1.7763 0.7149 1.2051 0.7423 1.0285 0.5736 2.8884 1.5707 1.0000 0.4239 1.7010 3.5767 2.3683 0.6238 0.9309 0.7583 2.3049 0.7754 6.7150 0.4649 0.9961 0.7997 1.5074 0.9834 0.8522 1.4949 1.4398 7.7772 1.5270 0.5039 4.2764 0.7585 0.5020 0.5021 0.7171 2.9681 1.9035 1.7771 0.8896 2.2859 3.6526 4-acetamidophenol 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 7.5127 0.7870 0.7870 0.7870 0.7870 0.7870 1.0000 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 1.4500 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.7870 0.8349 0.7870 4-acetamidophenylglucuronide 0.2969 0.2969 0.2969 0.9056 0.2969 1.0944 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 16.6369 0.2969 0.2969 0.2969 0.7730 0.2969 0.2969 1.3693 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.4134 0.2969 0.2969 0.4903 0.2969 0.2969 0.2969 3.4755 0.2969 0.7372 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 1.3047 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 0.2969 1.2532 0.2969 4-acetaminophen sulfate 0.1104 0.1104 0.1104 1.0000 0.1104 1.4309 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1932 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 25.8110 0.1104 0.1104 0.1104 1.0791 0.1104 0.1104 2.8759 0.1104 0.1104 0.1640 0.1104 0.1104 0.1104 0.9881 0.1145 0.8670 1.3946 0.1104 0.1104 0.1104 6.2312 0.1104 1.6086 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.4467 0.1104 0.1104 0.5045 0.1104 0.1104 0.1104 4.9070 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 0.1104 1.4693 0.3018 4-acetylphenol sulfate 0.1872 1.3311 0.1872 3.2437 0.3132 1.1529 1.1250 0.6197 0.1872 0.7815 0.1872 5.4399 0.3948 0.4737 0.2648 0.8017 0.7235 1.1122 2.4900 0.1872 0.1872 0.1872 0.1872 8.0378 0.1872 0.1872 0.7034 0.5719 2.8561 0.7619 1.2055 0.1872 0.1872 0.9596 1.1179 0.1872 0.6011 0.4883 2.1688 0.4973 1.3930 1.5356 0.1872 0.1872 0.1872 1.8427 0.1872 0.4960 2.6225 0.9474 0.1872 0.1872 7.1114 0.3921 0.7947 0.2755 1.0404 0.1872 1.7764 0.1872 0.1872 1.9055 0.4736 0.5341 1.4585 2.3760 2.2244 0.1872 0.1872 0.6255 0.2635 1.4105 0.1872 0.1872 1.7634 4-allylphenol sulfate 1.3518 0.9444 2.7661 2.0161 0.6768 1.4593 4.0152 4.1601 1.2169 11.6469 0.1110 1.7017 1.0464 5.6974 0.2716 0.8096 0.5195 1.1727 0.8355 1.0414 0.3183 0.1545 0.2964 0.4872 2.8341 0.0094 0.1873 2.0479 0.2981 0.5813 0.4712 0.0599 0.9042 1.5937 5.4016 0.1248 1.1956 0.9578 1.6292 0.5860 0.2973 1.0220 2.3038 1.1291 1.4567 1.8413 0.6311 0.6074 3.7189 0.6068 0.7220 0.2525 4.8452 1.1382 1.3098 0.7983 4.7203 0.4762 1.1329 0.3906 2.3171 1.2868 11.8546 0.8608 1.0000 0.9545 0.6038 0.7590 0.1216 1.7102 0.2289 4.9376 2.0684 4.0107 0.7231 4-cholesten-3-one 1.2679 0.5847 0.9959 0.8580 1.0895 0.9396 0.9017 1.0111 0.9562 0.8428 1.3513 1.0063 0.6954 0.8963 1.3260 0.8178 0.9150 1.2563 1.0981 1.0179 0.7698 1.4425 0.7449 2.1830 1.0180 0.7939 1.0365 1.2996 1.3093 1.1165 1.0162 1.3998 0.6872 0.8052 0.9551 0.8137 1.1328 0.5402 1.0610 0.7977 1.0715 1.6817 0.6889 0.6776 0.9705 0.8096 1.0542 0.8634 1.1334 1.3678 1.1543 1.0621 0.7975 1.5147 1.0000 1.1307 0.9907 0.8562 0.8747 0.8206 0.6471 1.0213 1.1378 1.5374 0.7477 0.8678 0.9296 0.6588 1.0274 1.2613 1.1421 1.0894 1.0355 0.9943 0.8768 4-ethylphenylsulfate 0.1381 13.2687 0.1884 31.0945 0.8533 9.6243 1.2513 1.6422 0.4734 0.2324 0.2743 84.1880 0.4416 1.5269 1.6712 1.4714 0.3889 1.5853 0.6570 0.1169 0.5557 0.1022 0.3609 34.8342 0.2172 0.0234 0.7226 1.2461 7.0387 1.1276 3.0606 0.5415 0.3640 0.7293 1.4911 0.7090 1.4969 0.5176 5.6011 1.0000 1.7781 6.0664 0.9234 0.5378 0.2545 0.8628 0.3190 3.4390 8.0103 0.1541 1.0631 1.4402 5.6309 0.2949 0.9148 0.1187 1.3603 0.0297 1.2244 0.1873 0.3580 13.6141 0.3137 4.3932 4.5763 8.2276 5.9210 0.5391 2.5830 1.4815 2.4570 1.0701 0.8624 0.1468 6.2071 4-guanidinobutanoate 0.7330 0.7549 1.1982 1.0030 0.6365 2.1579 1.7949 0.5075 0.4887 0.6600 0.9917 1.8766 1.1541 0.9663 2.5290 1.0874 1.2250 1.9137 1.5166 0.9511 1.5834 0.9202 1.1587 1.0000 0.8493 0.8680 0.6395 1.0015 1.3391 0.5536 1.1353 1.8205 1.0378 0.8832 0.7649 1.0862 1.0494 0.8944 1.5090 0.5929 1.3658 2.6691 0.8506 0.3235 0.5813 3.3991 0.6436 0.7397 2.2906 1.5006 0.6312 0.4433 2.8128 0.7689 0.7663 0.4709 0.7324 1.4293 3.3599 0.2862 1.2133 1.6812 0.5942 0.4739 1.1308 1.7698 0.9385 0.6629 1.0236 1.1811 0.4622 0.6480 1.1383 1.0544 0.8321 4-hydroxy-2-oxoglutaric acid 1.0326 2.1266 1.0432 1.7718 1.4631 0.9113 0.9866 0.4405 0.5779 0.9780 1.2485 0.8868 1.2820 1.2015 0.9428 0.9533 1.5088 1.0457 0.8051 0.9112 1.1498 0.8122 0.6583 1.2662 0.8602 0.9926 0.6735 1.1912 0.8276 0.6457 0.6007 0.6619 1.2294 0.9138 1.6216 1.8109 1.1420 1.3019 1.2759 0.7318 0.7952 0.9101 1.0629 0.8393 0.6535 1.0937 0.9739 0.5358 1.3282 2.2432 2.1486 0.7367 0.7796 1.4204 0.9748 0.8156 0.8602 1.2876 0.5241 0.5510 0.8058 1.6480 1.4453 1.0173 1.2633 1.0000 1.2255 0.5375 0.7660 1.4935 1.3980 1.2054 1.2510 1.4387 1.7654 4-hydroxychlorothalonil 1.0716 1.0768 0.7477 1.4577 0.5385 1.4264 0.7842 0.9129 1.1495 0.5949 0.7357 0.4267 0.7720 1.1179 0.8479 1.3079 1.5906 1.9120 1.0000 0.4615 0.9779 0.8337 0.3213 0.8313 0.4426 0.5238 1.1653 1.0130 0.8453 0.4333 1.2797 0.6083 0.4616 1.2163 0.9149 0.8817 1.2994 0.7493 1.9043 1.0517 0.9749 0.8217 2.6455 0.7415 0.6186 1.6084 0.5567 0.7341 1.6537 1.4633 1.7290 1.1750 1.0714 2.1009 1.2547 0.3354 2.0594 1.6625 1.2041 1.2724 1.7084 0.4832 1.5484 1.1261 1.2642 1.2064 0.4512 0.6907 0.5877 1.1935 0.4559 0.6696 0.9658 1.0693 1.3835 4-hydroxycoumarin 0.2610 1.8742 0.2610 1.1017 4.5989 1.1455 5.9810 0.3243 2.7219 0.2610 0.3791 2.6168 0.2610 0.4071 0.3088 0.6439 1.7595 5.7009 0.5134 0.9023 0.2610 0.2610 0.2610 0.8098 0.2610 0.2610 2.9276 0.2610 0.4093 0.2610 2.8192 0.2610 0.2996 0.9929 2.1017 0.3044 0.3277 0.2610 2.2751 0.5338 0.2610 0.9522 2.0145 2.2390 0.4261 2.4523 1.0071 0.6557 0.2610 0.4386 0.7874 0.3136 5.5900 0.2610 1.5307 0.2610 0.5334 0.2610 1.1496 0.2610 0.2861 5.0661 0.7157 0.2610 1.6969 0.2610 0.7279 0.2610 1.1851 2.9119 0.5365 0.3402 2.5417 1.7260 1.1520 4-hydroxyglutamate 0.4780 0.2652 0.8088 0.2684 0.7104 1.2828 2.3713 0.6289 0.2652 1.6546 1.0167 0.2652 1.3534 0.2652 0.4817 0.2652 0.5445 0.5218 0.2652 0.2652 0.4650 1.2096 1.8793 1.3833 0.6033 0.6103 0.4521 1.2416 6.2394 1.7976 0.7055 1.5606 1.7079 0.9935 0.2652 1.6884 0.9101 1.1628 0.2652 1.6702 0.9538 0.7732 0.3499 2.2332 1.3021 0.9166 1.5954 1.0900 0.2652 1.5393 0.3223 0.9032 1.5765 1.4704 0.8100 0.5948 0.8900 0.3265 2.5637 1.4198 0.4374 1.0345 0.7276 1.9601 1.0575 0.8472 1.0065 0.2652 1.8815 0.2652 0.8112 0.5658 2.8190 1.1730 0.6109 4-hydroxyhippurate 0.9277 0.4086 1.9379 2.3072 2.0164 1.2256 1.3959 0.9525 0.5156 2.7287 0.8257 0.9943 2.7586 2.0535 0.7859 1.1203 1.0158 3.1856 0.7015 1.6956 0.6761 2.4060 4.2059 3.1512 0.1801 1.6227 0.6105 1.4006 4.3643 0.7231 2.0221 0.4994 0.5164 0.7797 0.6630 0.6122 0.9284 1.0504 1.4677 0.8018 1.4005 0.7929 0.7187 0.6795 0.8350 3.4730 0.4232 1.0000 3.7366 2.2716 0.5014 0.7765 8.2217 0.8978 0.9036 2.9631 0.6203 1.0114 3.5837 0.1320 1.1504 2.3340 0.7108 1.1291 1.5715 3.8202 0.6517 0.8811 0.4556 0.7136 0.1227 1.0258 0.4938 1.5500 2.9106 4-hydroxyphenylacetylglutamine 0.4501 0.6199 1.7763 1.1761 1.4311 1.7494 1.4900 0.3588 0.3994 0.3588 1.0864 0.7790 1.1817 0.3588 2.2062 0.9945 0.4985 2.7995 0.5809 1.4752 0.3588 2.2628 0.9639 4.3997 0.4844 1.5197 0.3588 0.5458 3.7008 0.9272 1.1158 0.3588 0.8593 0.3791 1.3398 1.2775 1.5125 0.3588 1.3890 0.6646 1.3552 1.7994 1.3039 0.4882 0.3588 0.8955 0.3809 0.3588 0.7047 0.6847 1.0000 0.3588 4.7286 0.7292 1.3787 0.3588 0.3588 0.3588 1.2099 0.3588 0.6197 3.1111 1.0658 0.8122 1.1921 0.5790 0.5726 0.9281 1.0044 0.5624 0.3588 0.7061 0.9677 0.4900 1.9428 4-hydroxyphenylpyruvate 0.5872 0.6434 0.9671 0.5426 0.6880 1.0531 1.8824 1.3262 0.7406 0.9818 0.9806 0.6810 1.1603 0.5523 0.7737 1.2236 0.6787 1.3361 0.9911 1.8712 0.4622 1.6136 1.4740 2.1148 0.8952 0.8318 0.6207 1.0201 2.1539 0.8221 2.0759 1.8276 1.0433 0.6940 1.2292 0.9974 1.0608 1.3798 0.8589 0.7941 1.1577 1.4132 0.5632 1.3505 0.4644 1.1034 0.6550 0.8352 1.3079 1.3057 1.0108 1.8104 1.7747 1.3812 1.0388 0.9941 0.7948 0.5517 1.9964 0.5072 0.7835 0.9041 0.6842 1.9595 1.1013 0.7614 1.0000 2.0066 1.0334 0.7460 0.9824 1.2077 1.7277 0.7289 1.3632 4-imidazoleacetate 1.1683 1.0557 1.7543 1.5382 0.7973 1.0206 0.8464 1.2632 1.3631 1.0419 1.2181 0.1747 0.9343 0.3923 0.2698 0.5774 0.1747 1.3310 0.1747 0.4468 0.8342 1.4053 0.9794 1.0475 0.1747 0.1747 0.2802 0.6368 0.1747 0.1747 0.1747 0.8476 1.2826 1.0523 0.4711 3.1129 0.8866 0.7022 0.9075 1.7181 1.0476 1.7128 1.0424 0.1747 0.1747 1.2286 0.1747 0.1747 1.9831 0.6844 0.1747 0.7280 0.6091 1.1123 0.6170 0.1806 0.6761 0.1747 0.1747 0.1747 0.5560 0.1747 1.9548 0.1747 0.1747 1.7320 0.3625 1.7143 0.9336 1.1023 1.7673 0.8550 0.9619 0.1747 1.5297 4-methyl-2-oxopentanoate 0.6040 0.7887 1.3238 0.7862 1.1003 1.1539 1.1685 0.8844 0.8500 0.8228 1.0546 1.0683 0.8301 0.9666 1.3079 1.1985 1.0000 0.8924 1.0851 0.5679 1.3045 0.6013 1.3374 1.4095 1.2513 1.3951 0.8096 0.8520 0.8419 0.9237 1.2341 1.6414 0.8768 0.4931 1.0208 0.5710 0.9853 1.2335 0.6654 1.4075 1.4584 1.2271 0.7205 0.8446 1.1125 0.8277 0.7768 0.9117 1.3482 1.3086 1.0232 1.0036 1.3800 0.8632 1.1752 0.7669 1.4024 0.7683 0.9462 1.1549 1.0143 0.9458 0.9150 1.8316 0.9036 1.2106 1.2995 0.8435 1.5392 1.2351 0.8351 0.8643 1.2455 0.6525 0.9238 4-methylcatechol sulfate 0.3703 0.5935 0.6508 0.7304 1.0490 2.3343 1.8304 0.1893 1.0697 1.1840 0.9616 6.0511 0.0989 3.0442 0.8526 0.4212 0.4917 1.9456 0.9996 2.9942 0.6865 0.7179 1.1574 4.7304 0.0130 1.2531 1.3722 0.2468 1.5699 0.6885 0.8749 1.9314 0.5695 2.3469 6.7070 0.7950 1.1716 0.8754 1.4057 2.0507 0.6640 0.9204 0.6857 0.3570 1.0000 0.9829 0.4183 3.8572 1.0124 1.7015 1.1361 2.5485 4.5848 0.6949 0.7996 0.5368 0.8607 1.0009 6.3912 0.7936 3.8400 1.0566 1.0460 0.1539 0.9970 1.4790 1.2895 0.4614 2.4984 0.6560 0.3405 2.6005 1.2774 0.9794 2.3568 4-vinylguaiacol sulfate 0.3061 0.3061 0.3061 0.3061 0.3061 0.3061 0.4883 0.3061 0.3061 1.3269 0.3061 0.3061 0.4395 0.3061 0.3061 0.3061 0.3061 25.7517 0.3061 0.3061 0.3061 0.5549 0.3061 0.6198 0.3061 0.3061 0.3061 1.8302 3.8100 0.3061 1.0009 0.3061 0.3061 0.3061 0.3061 0.3061 0.3061 0.3061 0.6282 0.3061 0.3061 0.3061 0.3061 0.3061 0.3061 3.6179 0.3061 0.5359 0.3429 0.3061 0.3061 0.3061 13.1952 0.3061 0.3061 0.3061 0.3061 0.3061 0.5702 0.3061 0.3061 1.9801 0.3061 1.0000 7.6468 0.5692 0.8628 1.0610 0.3061 0.3061 0.3061 0.3061 0.3061 0.3061 9.4027 4-vinylphenol sulfate 0.1386 0.7901 2.3776 0.9203 1.1388 0.7985 5.5007 0.6089 0.5933 1.2338 0.5479 2.3294 1.2459 0.3723 1.9018 1.6037 0.2121 12.4835 1.2827 0.3000 0.5906 0.4558 2.4196 5.7113 2.1028 0.1801 2.2187 3.4048 24.9336 2.9794 14.6390 0.4826 1.0746 0.5815 0.7473 0.5110 0.8960 0.3411 6.5842 2.5526 5.0987 2.3940 4.2366 0.4142 0.1774 1.2663 0.2875 0.3171 0.9533 0.9835 0.3080 0.2711 45.2310 0.6592 1.2463 0.3907 1.2357 0.2037 1.2070 0.1185 0.4056 12.9476 0.2076 2.5784 3.1483 3.0890 1.4272 0.7220 0.2863 0.2617 1.5812 1.9185 1.0000 0.4488 2.7337 5-(galactosylhydroxy)-L-lysine 1.0907 1.2747 1.1148 1.0878 1.1788 1.4560 1.3679 1.1120 0.8962 0.9247 1.0000 0.8883 0.9449 0.8796 1.3275 1.1758 1.4346 1.1072 0.9954 1.8111 1.1674 0.9034 1.2392 1.3104 0.8215 1.2461 0.4012 1.0617 1.7966 1.6196 0.5642 1.5872 1.0343 0.8093 0.8725 0.8408 1.2733 0.6762 1.0985 0.6622 1.4457 1.0544 0.7626 1.4571 0.8650 0.9684 0.6864 0.7463 0.8398 1.1447 0.9953 0.9131 0.8089 1.0720 0.9791 0.6060 0.6352 0.9194 1.3710 0.5186 1.0006 0.8974 0.7791 1.0353 1.0337 1.0676 0.9474 1.0963 0.9303 0.6391 0.7284 1.5632 1.1001 0.7226 0.7076 5,6-dihydrothymine 0.8904 0.6288 1.0081 0.7569 1.4619 0.9427 0.7946 1.2871 0.7808 0.9150 1.1092 0.6877 0.9673 0.9968 1.0979 0.9915 0.9767 0.9286 1.5681 1.3173 1.1187 1.0810 1.5637 1.0000 0.8040 0.9260 0.6949 1.1167 1.0317 1.0724 1.0597 1.2668 1.0032 1.0175 1.3360 0.7803 0.8629 0.9295 1.0120 0.8364 1.1728 1.1028 0.6656 1.7022 0.6573 1.0950 1.0557 1.5305 1.2035 1.2176 0.7569 1.5507 0.9361 0.8176 1.1771 0.8502 1.3484 0.6783 0.9503 0.6429 1.0154 1.1847 0.8591 1.0598 0.8730 0.7871 0.8751 1.1318 0.9504 0.9431 0.9906 0.8680 1.6856 1.0608 1.1936 5-acetylamino-6-amino-3-methyluracil 0.3215 1.2301 0.7205 0.7180 1.2905 2.9848 0.0658 0.2109 0.5499 0.7431 0.5261 0.0658 0.0658 0.0658 0.0658 0.0658 0.2083 14.8732 3.8996 3.5895 0.7659 0.1753 6.0720 4.9531 6.4553 1.6651 0.8365 8.1453 1.4761 1.7977 3.8444 0.0658 0.1024 0.5921 1.0010 0.5474 2.1813 0.5479 9.0886 0.1932 1.7420 1.2790 6.9465 2.0389 1.1060 10.1115 0.2997 0.2831 0.7883 2.2636 0.0983 2.7578 3.6204 0.0777 5.0066 0.6033 1.0000 0.0913 6.5857 0.3839 4.7504 0.8684 0.8488 7.5078 2.3300 0.2398 0.0658 1.9674 0.5519 4.4479 0.0658 0.4169 0.3798 0.0833 0.2361 5-acetylamino-6-formylamino-3-methyluracil 0.5249 0.8067 0.4214 0.3320 0.5827 1.8054 0.2430 0.2430 0.4891 0.5348 0.5812 0.2430 0.2430 0.2430 0.2430 0.2430 0.2430 7.9148 2.3798 2.3456 0.7340 0.2430 4.2151 1.3978 3.8074 1.4738 0.2430 3.0163 1.9764 0.6911 4.4548 0.2430 0.2430 0.3366 1.1560 0.2430 1.4788 0.8803 6.4832 0.2430 0.5451 1.0000 6.6421 2.8058 0.9350 4.3713 0.5814 0.2430 0.3547 0.9522 0.2430 2.2048 1.2704 0.2430 6.2381 0.8552 1.8445 0.2430 3.3397 0.2430 9.2090 0.7990 0.5287 8.3170 1.9565 0.2586 0.2430 0.6714 0.5635 4.5052 0.2430 0.5281 0.2430 0.2430 0.3407 5alpha-androstan-3alpha, 17beta-diol 17-glucosiduronate 0.1687 0.1687 0.8363 0.1687 0.9020 1.7708 2.0495 0.1687 0.1687 0.1687 3.4050 1.8026 0.9957 0.1687 1.7167 1.0178 0.1687 0.1687 0.1687 0.1687 0.1687 0.1687 1.0754 0.6981 1.0239 1.3296 0.1687 1.0568 1.0043 0.1687 0.1687 1.4971 0.8476 0.7716 0.1687 0.1687 0.1687 1.3736 0.1687 0.1687 0.1687 1.1956 0.1687 0.1687 0.1687 0.1687 0.1687 0.1687 2.0359 0.4736 0.1687 0.8277 0.1687 0.5866 0.8056 0.1687 0.4670 0.1687 1.4427 0.1687 0.1687 0.1687 0.1687 0.2647 0.1687 0.8742 0.9897 0.1687 0.1687 0.1687 0.1687 0.1687 0.8062 0.1687 0.1687 5alpha-androstan-3alpha,17alpha-diol monosulfate 0.7816 0.7121 2.0657 0.4112 1.5756 1.6859 3.5641 0.4112 0.9892 0.6577 0.4112 1.4954 0.4771 2.3449 1.0857 0.9919 0.4112 0.4747 0.8642 0.4112 1.9235 0.4112 0.6618 1.0221 2.2443 1.5594 0.7998 0.4112 0.4112 0.4112 0.4112 0.4112 0.4112 0.5500 0.5331 0.4112 1.2563 1.6336 0.6812 1.1296 0.7104 0.4112 0.9514 0.6087 0.4112 1.1032 0.4112 0.4112 1.3310 0.8183 0.4112 0.6350 0.4112 0.9127 3.4139 0.4112 6.2577 0.7554 1.9868 2.2858 1.4215 0.5159 0.4112 0.4112 0.5550 0.6850 2.1183 0.4112 0.6811 0.4112 1.0511 0.4112 1.8174 1.0081 0.4112 5alpha-androstan-3alpha,17beta-diol disulfate 2.8267 0.0651 2.8907 1.0081 5.8208 3.5551 2.9140 0.2855 0.2242 0.9978 1.6764 2.7622 0.7693 0.6047 1.4936 1.0459 0.2306 0.0651 0.0651 0.0651 4.4536 0.0786 1.9291 0.3642 1.6364 1.1168 0.3486 0.9879 0.9042 0.0651 0.0651 1.1576 0.7954 0.3451 0.0651 0.2515 0.7325 2.0151 0.0651 0.6831 1.3543 0.0651 0.7254 1.0022 0.2551 1.6359 0.3709 0.0651 1.7621 0.4818 0.1335 0.0651 1.0431 0.0651 2.8418 0.3118 2.3628 0.5452 1.9043 0.6523 1.3765 0.0651 0.0651 0.3959 0.9913 2.0034 4.8735 1.3710 1.6369 0.8702 1.2170 0.1218 3.1785 0.5468 0.2727 5alpha-androstan-3alpha,17beta-diol monosulfate (1) 1.0000 0.4811 4.0518 1.3281 1.0598 1.7834 5.0987 0.2728 1.2836 1.4528 0.7679 1.6606 1.8179 1.6330 2.3636 0.8888 0.4075 0.2098 0.4102 0.2352 2.0595 0.5029 0.5266 1.3102 1.9779 3.2398 0.6219 1.6122 1.1325 0.3440 0.4750 0.7090 0.2210 0.8310 0.7187 1.2674 0.6565 2.1446 1.1096 1.0925 1.0737 1.0728 0.9477 0.4717 0.4976 0.8660 0.1236 0.8173 2.0235 2.0108 0.1917 1.2620 1.0695 2.9197 2.6111 0.4489 1.9151 1.2111 3.4073 1.0552 1.8696 0.5643 0.3803 0.4871 0.3065 0.6705 1.5427 0.4076 0.4520 0.7272 1.4168 0.0671 1.9116 0.9741 0.5793 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 0.4194 0.0651 3.1326 0.5160 11.8922 5.0138 2.4678 0.1723 0.0651 0.4744 4.0521 2.7940 0.3346 0.0651 1.6316 1.5076 0.1585 0.0651 0.0651 0.0651 6.1665 0.0651 2.7525 0.6574 2.4458 0.5693 0.0651 2.9723 0.2454 0.0651 0.0651 0.5980 0.7546 0.0651 0.0651 0.0651 0.3317 0.7187 0.0651 0.0651 1.1080 1.2469 0.0651 0.2812 0.0651 0.8920 0.0651 0.0651 1.8101 0.4396 0.0651 0.0651 1.8007 0.0651 4.5889 0.0651 4.5087 0.0651 1.8140 0.0651 0.8371 0.0651 0.0651 0.1944 0.8311 2.5604 4.0868 0.6793 1.2783 0.4618 0.5895 0.0651 7.5813 0.0651 0.0651 5alpha-androstan-3beta,17alpha-diol disulfate 0.7968 1.0000 1.7455 0.0701 2.0170 2.9015 3.2500 0.3046 1.0149 1.2369 1.0497 1.5359 0.8026 1.5180 1.3945 2.6693 0.4919 0.5217 4.0755 0.0701 0.8789 0.2573 0.5224 0.6285 1.5366 1.4552 0.1851 1.0000 0.5390 0.3494 1.4591 0.9076 0.6789 3.0027 1.3638 0.3308 0.5510 1.0370 2.7525 0.2929 1.2805 1.7376 1.2500 0.3340 0.4157 0.7682 0.6871 1.5671 1.6327 0.5007 0.2502 0.5444 1.7163 4.2578 4.2894 0.5336 1.9545 0.6716 1.7181 0.9911 1.1706 0.2804 1.4875 0.4779 0.3749 0.7745 3.7542 0.1039 1.0241 0.7015 3.0853 0.0701 1.8441 0.4344 2.2225 5alpha-androstan-3beta,17beta-diol disulfate 1.2432 0.9743 2.0584 1.6664 2.3271 1.5649 2.4553 0.3199 0.6696 1.6009 0.8709 1.4733 1.0000 1.3750 2.5032 1.4842 0.5407 0.2274 1.2894 0.2205 1.7129 0.3299 0.9860 0.9133 1.7300 1.7469 0.7566 1.1411 0.5341 0.3135 0.6941 3.5717 0.3436 0.2654 0.7754 0.5296 1.0595 1.4753 1.0240 0.6822 0.9577 2.1112 1.3829 0.5269 0.5050 0.9531 0.1692 0.3222 1.7590 1.1086 0.1334 0.9421 1.3003 2.4463 2.8518 0.4849 1.8979 0.9025 1.3773 0.8915 2.7713 0.3794 1.0996 0.8853 0.7742 1.2015 1.1918 1.2334 0.4269 1.3414 1.3089 0.1838 2.6338 0.9800 0.2187 5alpha-androstan-3beta,17beta-diol monosulfate (2) 0.5846 0.4918 3.5862 0.9852 0.8397 1.3519 4.1724 0.1884 1.2569 1.4760 0.6409 1.4009 2.0904 1.3247 3.6492 1.2028 0.6165 0.2182 0.6661 0.1817 1.4815 0.3148 0.6167 1.3620 1.7059 4.3412 0.8560 1.7006 0.7222 0.2889 0.9588 1.2641 0.2084 0.6972 0.7563 1.0148 0.7256 1.9174 1.6373 1.1752 1.1846 1.5280 1.3164 0.2804 0.3484 0.7055 0.2090 0.6975 2.5476 1.9576 0.1817 1.2033 1.6610 2.7509 3.8546 0.6336 2.4971 1.0586 2.9866 0.8816 2.0474 0.3593 0.6503 0.5805 0.2096 0.8493 1.5388 0.3771 0.1817 0.8947 1.1244 0.1817 2.9364 0.8418 0.6193 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate 1.3975 1.8180 0.7886 1.5910 0.8750 0.9299 1.5223 0.2990 9.8642 2.1754 1.4319 1.0683 1.8340 1.1216 0.3945 0.9603 0.3494 0.1275 0.1275 0.7863 1.1736 0.2213 0.3722 0.1275 0.5908 4.9663 0.5699 0.2125 1.0813 4.2811 0.6415 0.9551 0.6486 1.9938 7.0153 4.3103 1.6121 1.0516 8.1924 0.3594 2.1269 0.1432 8.8694 20.5640 0.6543 0.7275 30.5180 0.3523 0.9957 2.2611 0.5291 0.5203 0.1730 3.5644 0.5372 0.9125 1.5396 3.7704 0.9100 1.1530 0.7900 0.6381 0.3675 0.1275 0.2987 0.6824 2.1574 10.3576 0.2759 1.5575 7.2797 0.3866 1.0043 1.2079 1.8827 5alpha-pregnan-3beta,20alpha-diol disulfate 0.8327 1.5199 0.7939 0.8104 1.7080 1.0652 1.5356 0.5826 10.4149 1.6119 0.8574 0.8263 3.7044 1.1139 0.4725 1.2903 0.3994 0.2496 0.5532 1.6472 0.9436 0.4402 0.4170 0.1481 0.3827 2.8971 1.3111 0.2544 0.9607 4.1106 3.4179 0.6347 0.3931 2.1454 6.9836 2.9237 1.2214 1.1732 10.3728 1.0081 1.9437 0.4780 6.8720 8.6518 0.6495 0.8904 23.2954 1.0206 0.8633 1.9570 0.6664 0.7568 0.6915 7.2832 1.0974 1.0552 1.0426 1.9270 1.1016 0.6796 1.0000 0.5493 0.4826 0.1932 0.2685 0.7433 2.0198 6.8443 0.8846 0.8872 3.6020 0.8086 0.8174 0.9849 2.4629 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 0.4792 0.6216 0.7821 0.5340 2.1465 1.1149 1.6766 0.4982 26.3568 1.3480 1.2960 0.7071 3.2108 0.9859 0.5191 1.5150 1.0000 0.6864 0.8279 1.6992 0.7329 0.4907 0.4299 0.3213 0.3557 3.5406 0.8219 0.7006 0.6091 5.6285 1.9787 0.2880 0.3375 2.9499 14.0091 4.6564 0.9447 0.6130 19.6064 1.1994 2.4697 0.2306 7.9583 6.0289 0.4273 0.5024 37.9977 1.6222 1.0100 3.6889 0.7380 1.2097 1.0580 6.7320 1.4015 0.7909 1.3167 1.8568 1.0592 0.5929 0.6535 0.6824 0.5246 0.1842 0.3969 0.8458 2.0027 5.9018 0.8652 0.7277 4.0779 1.0139 1.4498 0.5861 1.9642 5alpha-pregnan-3beta,20beta-diol monosulfate (1) 0.8850 1.0893 1.1246 1.1010 1.2234 0.9757 1.4985 0.5578 22.8094 2.0670 2.1629 0.6346 2.0124 1.7679 0.4585 1.1003 0.6545 0.3799 0.3168 0.8904 1.1658 0.3436 0.5274 0.1860 0.7849 3.9875 0.5594 0.5241 0.7901 5.5999 0.5077 0.4778 0.5750 2.4206 10.2017 4.8215 1.2816 0.7874 10.5758 0.8694 2.0986 0.1161 7.5063 8.8595 0.4314 0.5669 24.3255 0.8058 0.9279 3.7942 0.8650 1.0780 0.4670 3.5498 1.6593 0.9921 2.8758 3.1563 0.8798 1.0079 0.8791 0.8550 0.6169 0.1161 0.5423 1.0528 1.8221 5.5320 0.5737 1.2885 4.3367 0.7526 1.6265 0.8326 1.6825 5-bromotryptophan 1.2276 1.2764 1.0877 0.9199 1.1942 1.0701 1.5596 1.0000 0.6775 0.4532 2.0367 1.2854 0.9170 0.8852 0.7676 1.1537 1.1095 0.6173 0.8540 0.7220 0.7579 1.0555 0.7251 0.6633 1.0174 1.1182 1.0969 1.2879 1.0095 0.7227 1.3084 0.8192 0.7583 0.8459 0.8128 0.7710 1.3392 1.2646 0.9491 1.0710 1.2975 1.1849 1.1044 0.9005 1.0517 0.9335 0.5499 0.5998 0.8027 1.0776 1.0632 1.0130 0.7475 1.0312 1.0794 1.0955 0.9062 1.0107 1.0436 0.6465 0.7884 0.7191 0.8415 0.9063 0.8568 0.9011 1.4940 0.6799 1.4964 0.6368 0.8764 1.0151 1.3459 1.0627 0.8511 5-dodecenoate (12:1n7) 1.5038 2.0087 1.1871 1.0295 0.8013 0.8762 0.3673 1.1105 1.7245 0.8859 1.0038 0.8757 1.1447 1.7735 0.7782 1.1444 2.0669 1.4038 1.0000 1.0418 0.7209 1.3343 0.9679 0.6888 0.9451 2.1120 1.7983 0.9687 1.5410 0.9624 2.0659 1.3347 0.4470 1.5290 1.8657 0.6123 1.5847 0.7946 2.1578 1.2531 0.8378 0.5019 1.2682 1.2251 1.3524 0.3761 1.7351 0.5123 0.6146 0.5157 0.9990 2.6712 0.4332 0.9021 0.7784 1.9283 0.5617 0.7995 0.4170 1.4105 4.1049 0.8333 0.7712 0.5702 0.4794 0.3953 0.6630 2.3033 1.1447 1.3338 0.7804 1.1571 0.8148 4.0077 0.8423 5-hydroxyhexanoate 0.1987 0.2660 0.1987 0.1987 2.3201 1.1653 1.0483 0.4776 2.1730 0.1987 0.1987 0.1987 0.7262 0.1987 0.1987 1.0000 0.1987 1.9424 1.8282 1.6079 0.1987 0.1987 0.1987 0.1987 0.2430 0.1987 0.1987 0.7459 0.6804 0.1987 0.1987 0.1987 0.1987 0.9571 1.8311 0.3931 0.7442 0.1987 1.5435 0.5726 0.5894 0.5353 0.1987 0.6097 0.1987 1.0498 0.1987 0.7454 0.1987 0.9982 0.8452 0.1987 0.1987 1.0951 0.1987 0.1987 1.0010 0.1987 1.0488 1.5413 1.6042 0.1987 1.0952 0.1987 2.0464 0.1987 0.1987 0.1987 0.1987 0.1987 1.5622 0.9569 0.4136 0.1987 1.9627 5-hydroxyindoleacetate 0.4290 1.1297 1.3017 0.8710 0.4290 0.6381 1.0828 0.4290 0.5579 1.3777 0.8379 1.5162 1.3962 0.4290 1.2415 0.8981 1.1809 2.3234 0.6514 1.4035 0.8220 0.6452 0.4290 0.9314 1.1457 0.4290 0.6233 1.1921 1.0561 0.8657 0.8834 1.5776 0.4290 0.4290 0.6451 1.2315 1.5351 1.0476 1.5646 0.9532 0.9518 0.9601 0.4290 0.4290 0.4290 1.6166 0.8064 0.4290 1.1372 0.6181 1.5640 0.4290 1.9065 1.0243 0.9133 0.7233 1.0475 0.8634 1.0903 0.8176 0.4290 0.8373 0.8268 1.2797 1.1463 0.8351 1.0804 1.1573 1.1496 0.6249 0.4290 0.8076 0.6276 0.9757 0.4290 5-hydroxylysine 1.1096 0.7841 1.0786 1.1863 0.8614 1.1671 1.2171 0.6997 1.0916 0.6970 1.0272 0.8216 1.1438 0.7825 1.1444 1.2309 0.8954 0.9649 0.8522 1.1092 1.0460 1.5408 1.3794 1.2074 1.4040 1.2214 0.5001 0.8397 0.9377 1.3863 0.5777 0.9829 0.6284 1.0612 1.0216 0.7141 0.8865 0.6773 0.7764 0.6018 1.2062 1.7836 1.0136 1.0782 0.9009 0.9331 0.9718 0.6885 1.6151 1.7769 1.1852 1.0933 0.5729 1.7018 1.1321 0.7030 0.7741 0.7940 1.2243 0.4648 0.8881 0.6043 0.7072 1.0000 0.8527 0.8291 1.0833 0.6936 2.1200 0.9446 1.0249 2.3138 1.1012 0.8650 1.1455 5-methylthioadenosine (MTA) 1.1029 1.1086 1.2359 0.9698 1.1401 1.1712 1.5074 0.9327 1.0672 0.9944 1.2216 1.2090 1.2390 0.7628 1.2357 1.1862 1.3106 1.3338 1.4717 1.1197 1.2985 1.0415 0.8802 1.6945 1.0962 0.8749 0.4330 0.4763 1.3129 0.6255 0.7635 1.2770 0.9961 0.6951 0.9639 0.8243 0.9586 0.9686 0.7550 0.6893 0.9635 0.9485 1.0796 0.8084 0.7010 1.0190 0.6356 1.0237 1.1152 1.5318 0.6731 1.1717 1.3920 0.9989 0.9532 0.6469 0.9191 0.9380 1.2058 0.8216 0.9852 0.6554 1.0235 1.2476 1.2296 1.2435 1.1694 0.9453 1.0329 0.9062 1.0000 0.9022 1.3952 0.8153 0.7601 5-methyluridine (ribothymidine) 0.7914 1.1983 1.2002 0.8842 1.1204 0.9728 1.1878 0.9277 0.8646 1.1197 1.1742 1.0878 1.0332 0.7343 1.0000 1.1129 0.8929 1.0850 0.9866 1.0796 1.1473 0.9123 0.9150 1.0079 1.0769 0.9057 0.8179 0.9946 1.0720 1.0483 1.1439 0.9242 0.8470 0.8951 1.0716 0.9425 1.0599 1.1025 0.9784 0.8616 1.0937 1.0997 0.9458 0.6125 1.0962 1.0586 0.7236 0.9361 1.1751 1.2230 0.8702 0.8421 1.1067 0.9166 1.1444 0.9447 0.8759 0.9731 1.2141 0.6553 1.1231 1.1679 0.7332 0.8508 0.6782 1.0058 1.1355 0.9847 1.1605 1.1109 0.6465 1.1641 1.4304 0.8745 0.9942 5-oxoproline 0.7977 1.1441 1.0799 1.1625 1.3444 0.9258 1.0742 0.7855 0.9239 0.7781 1.1018 1.3649 0.8350 0.9775 0.9560 1.0640 1.0604 0.8311 1.2808 0.8461 1.6076 0.8789 1.2779 0.8644 0.9307 1.1010 1.0050 1.6469 0.8422 1.0639 0.7297 0.9926 1.0213 1.0544 1.2793 0.9077 1.2421 0.9972 0.9976 0.8426 1.1937 1.1729 0.9410 0.9696 0.7811 1.2191 0.8110 0.8247 1.0812 0.9371 1.0696 0.9833 1.0000 1.1173 1.0495 0.8684 1.1570 1.1200 1.3143 0.7965 0.8343 1.0980 0.8508 0.6478 0.8808 1.2388 1.1323 0.9236 0.9688 1.1914 0.7083 1.0551 1.2069 1.1080 0.9992 6-hydroxyindole sulfate 0.6807 1.4888 1.4487 0.8693 1.4145 1.6763 1.6620 0.7114 1.0171 1.6061 1.1711 1.3075 0.6792 0.1909 1.1510 1.4548 0.5188 1.3710 0.8780 1.5038 1.5655 1.6731 0.5748 1.2384 0.0196 0.2007 1.7651 0.1682 2.4445 0.9396 0.7771 0.9024 0.7422 0.1997 2.1466 2.1538 1.0585 0.5394 0.5301 1.6000 1.3989 2.3499 1.1823 2.0069 1.1420 0.8132 0.5381 0.7303 0.5077 0.1698 0.7618 0.9008 1.4402 0.4944 2.2079 0.7874 1.4041 0.8240 3.1402 0.6791 0.2713 1.1397 0.4625 0.4961 0.6377 0.7453 2.2536 1.7755 1.7290 0.6249 1.0000 0.9786 1.0172 0.3746 4.0121 6-oxopiperidine-2-carboxylate 0.7306 0.4509 0.4304 0.5867 1.0508 1.5962 0.9199 1.0554 1.0000 1.9114 0.8988 0.2975 1.0605 0.7176 0.5689 0.7471 1.0350 0.7762 1.2503 1.4237 1.1471 1.4078 1.1879 0.7728 0.6632 0.7438 0.7611 1.8754 1.1177 0.8982 1.1474 1.1742 1.0458 0.3770 0.8118 1.1961 1.0665 1.1398 0.8745 1.6665 1.1603 1.0529 0.9027 0.7684 0.8316 0.4928 1.2692 1.5132 0.4925 0.8771 0.6961 0.8177 1.9914 0.8458 0.9975 0.9907 1.3379 1.5301 0.9049 1.1945 1.1146 0.5334 0.6065 1.3821 1.2081 0.7672 1.0756 1.1027 0.7579 1.1199 1.9242 0.6081 1.1170 0.6290 1.3261 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 0.7017 0.6436 1.2070 1.4324 1.1923 1.2865 1.3886 0.9164 0.8955 0.6660 2.0902 1.5897 1.1562 1.2975 1.4313 0.8543 1.1556 1.2273 1.4569 1.0159 1.1589 0.8465 1.0000 1.8150 1.0826 0.8931 0.8230 2.4063 0.8099 0.8247 0.9401 0.9604 1.1675 0.7371 0.7209 0.7459 0.9759 0.9299 1.0040 0.8614 1.3902 1.5882 0.8155 1.1342 1.0876 0.9419 1.0800 0.9846 1.2021 1.1495 0.9402 1.0774 0.8579 0.8733 0.8495 0.7677 0.8597 0.7615 1.2163 0.4620 1.1080 1.7561 0.5754 1.4244 0.6871 1.1481 0.7991 0.7408 1.0156 0.7818 0.9091 0.6969 1.7116 1.3175 1.0275 7-hydroxyindole sulfate 0.4485 0.4485 0.6962 0.4485 0.4485 0.4485 1.5205 0.4485 0.4485 0.4485 0.4485 0.9227 0.4485 0.8559 0.9017 1.2527 0.5290 0.4485 1.0506 0.4485 1.3795 0.6946 0.4485 0.4485 0.4485 0.4485 0.7454 0.4485 0.5023 0.4485 1.0168 0.4485 0.4485 0.4485 0.6012 1.0000 0.4485 0.4485 0.4485 1.5615 4.4366 1.3650 0.9214 2.0042 0.4485 0.6756 0.4485 0.4485 0.4485 0.4485 0.4485 0.4485 1.1531 0.4485 1.2745 0.5380 1.9479 0.8380 1.6030 0.4485 0.4485 1.0965 0.4485 0.4485 0.4485 0.4485 0.8864 2.0327 1.7808 0.4485 0.8698 0.5827 0.4485 0.4485 1.3893 7-ketolithocholate 2.3532 1.7354 1.4739 1.6228 0.4613 1.2435 1.7518 0.5662 0.6898 2.4299 0.2601 0.5632 1.0233 0.2601 1.2369 1.5351 1.0247 1.2837 0.4970 0.6865 1.4985 0.4314 0.2601 0.7620 0.2601 0.2601 1.0495 0.7231 0.5287 1.3580 1.0324 1.4927 0.4104 0.7103 1.6925 5.3255 1.0871 1.5014 1.2141 1.2060 1.2149 0.8887 0.9543 0.8554 0.2601 2.9420 0.7604 0.7757 0.2601 0.7917 0.8854 0.4516 0.7629 1.7809 1.4982 2.2960 1.1979 0.6005 0.8942 0.8788 0.4077 0.8633 3.7548 0.4172 0.9919 2.0714 1.0081 0.7477 0.6130 0.5705 1.6175 0.5131 0.2601 2.5345 0.5903 7-methylguanine 1.1340 1.0463 1.2303 1.2988 1.2029 1.0541 0.9536 0.9997 0.9064 0.8937 1.0538 1.1182 1.1395 0.8405 1.0556 1.1185 1.3673 0.9312 1.0626 1.1299 1.2001 0.7446 1.2640 1.1500 0.8577 0.8659 0.7893 1.2179 1.3310 1.4291 1.0468 1.0451 0.9021 1.0000 0.9918 0.9569 1.1012 0.8613 1.0590 0.8453 1.0369 0.7938 0.8444 0.8051 0.7628 1.2033 1.0720 0.9043 1.1258 0.9849 0.9153 1.0559 0.8130 1.2000 0.9720 0.6717 0.7990 0.9253 0.9708 0.8306 1.7543 1.0241 1.1166 0.8822 1.1256 0.9111 0.8750 1.3397 0.9947 0.8495 0.7837 0.8209 1.1430 1.0894 0.8769 7-methylurate 0.4506 1.0357 0.8538 0.4114 1.2264 1.4693 0.6226 0.1144 0.7846 0.6497 0.0120 1.1064 0.1835 0.0120 0.1109 0.2665 1.7949 3.8944 1.4193 2.4264 4.6965 0.2510 2.6916 3.1256 5.1265 1.6794 4.3770 3.8615 0.2916 2.2306 1.8732 0.0486 0.5148 0.4607 2.9991 1.2240 0.8203 0.5255 3.5745 1.7561 0.8467 1.5526 1.7481 0.7053 0.2658 28.8826 0.4683 1.0066 1.2142 1.5145 0.8853 0.6216 7.1839 0.2915 0.7665 0.1181 3.9194 0.2258 0.0120 0.0120 1.0022 3.0347 0.3970 1.1410 2.1574 0.3393 0.0120 0.9978 0.6737 0.8268 0.0120 2.2876 1.3968 0.1527 0.0751 7-methylxanthine 1.1013 1.0115 1.2058 0.6526 0.5309 0.5551 0.1653 0.1653 0.3630 0.1860 0.1653 0.6173 0.2258 0.1653 0.1653 0.2422 1.4614 1.4549 0.6763 1.1474 3.0350 0.1653 1.4616 1.5097 2.7371 1.2104 2.8367 1.9360 0.1653 1.3047 1.5812 0.1653 0.6177 0.3634 2.4450 0.6665 0.8217 0.2303 2.4020 0.9316 0.5824 1.8563 1.2290 0.4386 0.1653 24.6957 0.9885 0.8537 1.6762 1.1339 0.8488 0.4053 7.7588 0.7103 1.3583 0.1653 5.4009 0.1653 1.1366 0.1653 0.8505 1.9510 0.6643 0.7595 2.3062 0.1653 0.1653 0.2787 0.6143 1.0901 0.1653 2.0182 0.8482 0.3109 0.1653 9,10-DiHOME 0.8829 0.8289 0.9591 1.6587 0.3859 0.7599 1.0980 1.2479 1.3051 0.8755 0.5780 1.1378 0.6912 1.1583 0.3859 0.6807 0.9249 2.2297 1.2825 1.3910 1.0141 1.0672 0.7897 1.0102 1.2913 0.7025 0.3859 0.8288 0.8956 1.7494 2.8152 0.3859 0.5970 0.9256 0.5969 0.3859 1.4440 0.7441 1.1660 1.0163 1.2959 1.0793 0.7928 0.8294 0.9191 59.7391 0.9677 0.9601 1.5186 0.8991 1.4042 1.1443 1.8217 0.6405 0.3859 1.0000 0.8125 0.4945 0.7512 1.1347 1.0556 1.7993 0.7902 0.3965 2.0157 1.4956 0.6912 1.1442 1.4031 0.3859 0.9341 0.9287 0.5972 2.3168 1.0150 9-hydroxystearate 1.4452 1.0020 1.9466 1.4730 0.5202 0.7741 0.4125 1.5648 1.3977 1.0862 0.8352 0.9067 0.9980 0.9041 1.0822 0.8552 1.8989 2.5023 0.8270 0.7760 1.0967 1.9504 0.7740 0.8162 0.5705 2.5285 1.0433 0.6539 0.8713 2.2126 1.9187 0.5289 0.6839 1.9681 1.4701 0.4576 1.4349 0.5000 2.4852 1.0087 0.7002 0.4462 1.1504 0.6806 1.2687 1.7586 1.4698 0.5169 0.6145 0.6931 1.5897 3.9800 0.1402 0.9543 0.8215 1.8946 0.4635 0.5104 0.3690 0.7696 4.9107 1.0298 0.7897 0.1402 1.3313 0.3544 0.5183 2.8650 1.2013 1.3805 0.7656 1.5631 0.7356 3.6179 1.3441 acesulfame 0.0215 1.6364 0.0215 0.0215 0.0215 1.2641 0.0215 0.0630 0.3227 0.0215 0.0273 0.0215 0.0327 0.0215 0.0215 0.0215 0.0215 0.0215 0.0215 0.0215 0.0215 0.0968 0.0215 0.0215 0.0215 1.0608 0.0215 0.0215 0.5679 5.5532 2.5148 0.0215 0.0215 0.0215 0.0215 0.9392 0.0215 0.0215 0.0215 1.0989 0.0537 0.0215 0.1128 2.1292 0.0215 3.4538 0.0215 3.1757 0.0215 0.0215 0.0215 4.5138 25.3205 0.0215 0.0215 0.0215 0.0986 0.0215 0.0215 0.0215 0.0701 0.0215 0.0215 0.0215 1.5200 0.0252 0.0215 0.0215 11.1279 0.0215 3.4512 0.0215 0.0215 0.0215 0.5289 acetoacetate 1.0154 1.4091 1.1015 0.3423 0.5054 1.1808 0.6518 2.1771 2.2207 1.1481 0.8369 0.3976 0.7621 0.9602 1.3557 0.7120 0.6268 1.0504 1.1615 0.2338 1.6692 0.4233 0.8853 0.4320 1.0443 2.0047 2.7303 0.4187 1.0286 0.9303 1.1959 1.2105 0.3685 0.6969 0.9837 0.3597 1.8146 0.8724 1.5056 4.0763 1.2799 0.4694 4.6045 1.0827 1.2894 0.7423 1.0645 0.2338 0.5500 0.3695 0.2338 0.7335 2.6969 1.0000 1.2404 3.3358 1.6498 1.9578 0.4290 13.3400 2.1511 0.3427 1.3633 0.7631 0.6609 0.5073 0.3817 0.5655 1.4330 1.4838 0.3267 0.3534 0.4618 1.1227 0.4423 acetylcarnitine (C2) 0.8956 0.9033 1.1580 0.7959 0.9430 1.0360 1.2539 1.0027 1.3017 1.1213 1.2077 0.7930 0.7612 1.2344 1.1261 0.9021 1.0831 1.3585 1.2669 0.7297 0.9618 0.6604 1.3367 0.6423 1.2648 0.8885 1.1414 1.0057 1.0822 1.0754 1.3208 1.2774 0.5399 1.0163 1.2814 0.8565 1.2693 1.0554 0.8685 1.3921 0.8478 1.0000 1.3491 0.8885 0.9504 0.6696 1.1029 0.3447 0.9746 0.8216 0.9971 0.7248 1.0673 0.9045 0.9377 1.1209 0.9632 0.8707 0.6076 1.5132 0.7025 0.8284 1.0368 0.7465 0.6571 0.7980 1.2783 1.3622 1.4516 1.0470 0.6661 0.8609 0.8218 1.1533 1.0611 acisoga 0.3071 0.7123 0.5715 0.4779 1.0021 2.2107 0.9903 0.7229 1.3095 0.8839 0.5516 1.1522 1.2835 1.1298 1.8327 0.7049 0.5639 1.3750 1.5849 1.6737 0.8339 0.6812 0.5211 1.2833 0.2210 1.4539 0.9866 0.9979 0.2210 1.5309 0.5678 1.9115 0.2210 1.2549 1.6184 0.8231 0.8328 0.7175 1.3377 1.0398 1.6836 0.7620 1.5551 0.4753 1.1002 1.9578 0.3500 0.7879 0.9154 2.0599 0.9421 1.2342 1.4439 1.0175 1.1552 0.8721 0.6094 1.7035 0.9719 0.8217 0.9444 1.2412 0.4359 1.7895 0.2210 1.1024 0.6926 0.9192 0.3768 2.0367 1.6999 1.8419 1.2280 1.0490 0.4462 aconitate [cis or trans] 0.6794 1.1028 0.8812 1.0391 0.8095 1.0225 0.8908 0.6705 0.8108 0.9571 0.9827 0.9789 1.0059 1.0108 0.9769 1.0974 1.0924 1.1104 0.8419 1.1495 1.1925 0.8123 1.5237 0.9196 0.9119 0.8431 1.0830 1.0571 1.0000 1.6713 1.3441 1.5146 0.9508 1.0797 1.1938 0.8790 1.3022 0.8848 1.4452 1.0918 0.8129 0.8844 1.0533 1.4212 1.1633 1.0130 0.9771 0.8377 0.9433 0.9719 0.7769 0.6472 1.0648 1.2699 0.7982 0.8560 1.0091 0.7982 0.8308 1.0884 1.5621 1.1529 0.7898 1.2670 1.0496 0.6933 0.7291 1.1720 0.6673 1.1967 0.6802 0.9759 1.1074 1.1344 0.8945 adenine 0.7411 0.9566 0.8461 0.8581 1.0156 0.9772 1.2948 0.8811 1.3944 0.9596 1.1443 1.4774 1.4647 1.0214 1.2396 1.4198 1.0000 1.0906 1.0140 1.3274 1.2297 0.8107 1.0923 1.5587 0.8540 1.1764 0.7848 0.6271 1.1689 1.3407 0.6133 1.3650 0.8517 0.7477 0.7345 0.7412 0.4748 1.0397 0.9544 1.0165 1.1470 0.8416 1.1136 1.3385 1.0857 1.0486 0.9895 1.1693 0.9419 1.0047 0.7557 0.9394 1.1836 1.4140 0.7307 0.6653 1.9332 1.1681 0.6565 0.8552 0.7450 1.0129 0.7735 0.7695 0.9371 1.2065 0.7027 0.9062 0.8312 0.5241 1.2440 0.8565 1.1348 1.1291 0.7810 adenosine 0.9572 0.6930 0.9709 1.6485 0.9729 1.0487 1.0912 0.9908 1.0553 0.8509 1.0004 1.1207 0.9597 0.6534 0.7876 0.7270 1.1731 1.0038 0.6208 1.4669 0.7931 1.2455 0.9306 1.4788 0.6051 0.9265 0.7599 1.5053 1.0711 1.5006 1.1628 0.8754 0.7649 1.0784 0.8141 0.8542 1.0000 0.9450 1.1022 1.2719 1.0734 1.0251 0.7685 0.7336 1.2521 1.0745 1.0739 1.2089 1.1088 0.5186 1.2373 1.0786 1.0839 1.3825 0.9337 0.9019 0.6672 1.2273 1.0191 0.7902 0.9095 1.7898 1.1411 0.8196 1.1736 0.9655 0.9655 1.3160 0.9064 0.7183 1.7601 0.6825 0.8778 0.7710 1.3333 adenosine 3',5'-cyclic monophosphate (cAMP) 0.9665 1.1198 0.9019 1.1985 0.9914 1.0011 1.2474 1.1151 0.5706 0.9894 1.1360 1.4138 1.0253 1.0186 0.9451 0.8368 1.2087 1.1254 1.0225 1.0532 0.9197 0.8488 0.8982 0.9829 0.7297 0.8708 0.9944 1.3107 1.0177 1.0679 1.2178 1.2835 0.7226 0.9408 0.9603 1.2098 1.3095 1.0478 0.7677 1.2508 1.0401 0.8569 0.7821 0.7558 0.8651 0.7980 1.0771 0.5550 1.1907 0.7311 1.2137 0.9223 1.2792 1.0000 0.8116 1.2375 0.5037 0.8812 1.1410 0.5869 0.7020 1.4525 1.0937 0.8910 0.6285 1.2075 0.9595 1.1033 1.0283 0.8168 0.7763 1.2459 1.2844 0.9431 1.1168 adipate 0.5136 1.2948 1.0648 0.3758 0.3758 0.9716 0.3758 0.5934 0.9006 1.0214 0.9519 0.8642 0.8369 0.5646 0.7158 1.9387 0.9160 2.3187 0.4395 1.7077 0.6827 0.6360 1.1056 0.4471 0.3758 2.1835 1.6980 1.2436 2.4895 1.4021 1.4351 1.1264 0.8086 0.5119 1.0232 1.6577 0.8754 0.3758 0.9543 2.0841 0.7937 1.1201 1.0706 1.4252 0.8444 7.2669 0.6809 1.5331 0.3758 0.6146 0.3758 0.6378 2.9998 2.2763 0.3758 0.9310 0.8487 0.9580 0.7892 3.9137 3.1604 1.6480 1.6058 0.3758 0.6302 0.4946 1.0000 1.6564 0.4616 0.3758 0.3758 0.9892 2.4214 1.0474 1.5174 adipoylcarnitine (C6-DC) 1.1167 2.4382 1.7825 0.7000 1.9750 1.3036 1.8649 0.4787 0.8964 0.8965 1.5771 1.5715 1.0000 0.8482 1.0244 0.8491 1.8547 1.8089 0.9093 0.6497 1.7516 0.7261 1.1927 0.6525 0.9067 2.7898 1.4549 1.7538 2.0526 1.0830 0.5755 1.2406 0.8478 0.7739 0.7241 0.8475 1.5721 0.7166 1.0185 1.2005 1.1547 0.5902 0.7440 0.9435 1.4004 2.1003 1.1647 0.8106 1.0953 0.6657 0.7039 0.8357 1.1089 1.5387 1.0010 0.7349 0.5618 1.3389 0.8780 2.1685 2.1713 0.8584 0.7117 0.6776 0.6350 0.6978 1.2607 0.5053 0.8802 1.2554 0.5234 0.6759 1.4404 0.9449 1.4937 adrenate (22:4n6) 1.2484 1.0000 0.9777 0.8057 0.6739 1.0218 0.7707 0.9232 1.1039 1.1845 0.9824 0.9332 1.7667 1.4345 1.0364 1.1737 1.1028 0.7322 0.7626 0.9693 1.3498 0.8288 1.0635 1.0473 1.9908 1.1835 0.8245 0.9889 0.7577 0.8493 0.9619 1.2861 1.5162 0.8894 1.4195 0.9220 1.4842 1.1742 1.0770 1.0740 0.5224 0.8204 1.4946 1.8404 1.1200 0.8655 1.4824 0.7947 0.5716 0.8634 0.8159 1.1306 0.4237 2.0756 1.2403 1.3656 1.5552 0.8758 0.5913 1.2715 2.2452 0.7407 0.7288 1.0821 0.7489 0.7733 0.6261 1.0815 0.7858 1.4038 0.9945 1.3385 0.7077 1.4974 0.5766 adrenoylcarnitine (C22:4)* 0.3454 0.7282 1.1140 0.5998 1.3543 0.9272 3.1661 0.5290 0.5506 1.0891 1.3200 0.9047 0.5423 0.8074 1.3337 1.6684 1.0345 0.3454 1.3269 0.7323 3.1536 0.8554 3.4251 1.0106 0.9312 1.1934 0.6797 1.6827 0.9612 1.7650 0.6532 2.3402 1.8553 1.0437 2.1927 1.1149 0.7700 2.2384 1.0936 0.6023 0.8326 2.7427 0.9383 1.1049 0.8085 1.5195 0.6018 0.5335 1.1738 1.4087 1.0235 0.7938 0.4432 0.9225 1.5870 0.7523 1.3672 1.1797 1.0091 0.6441 0.9777 0.7424 0.7245 0.7855 0.5096 1.5708 2.0519 1.3111 1.0296 0.5071 0.7291 0.6205 1.6078 0.9909 0.7708 alanine 1.0601 0.9146 0.9783 0.8765 1.1880 1.0693 1.3095 0.9250 0.7335 0.8750 1.0568 1.1108 0.9640 1.0420 0.8876 0.9486 1.0730 0.9514 1.0060 1.3639 1.0366 1.0147 1.0929 1.2431 0.9931 0.8791 1.0463 1.0971 1.0190 0.6284 1.0853 1.0478 1.1394 1.0159 0.9242 1.0000 0.9614 0.8732 0.8616 0.8977 0.9378 1.1155 0.8800 0.8865 0.7878 0.9124 0.8985 1.1697 1.0958 1.3336 0.9828 1.1832 0.9027 1.4184 0.9046 0.6918 0.8100 0.8208 1.2261 0.5958 0.9352 1.1215 0.8722 1.2128 0.9474 1.0697 1.1885 0.9783 0.8027 1.1458 0.9622 1.2019 1.2856 1.0068 1.2275 allantoin 0.6161 1.0824 0.7628 1.3370 1.2533 1.2470 1.0779 0.8673 0.8452 1.1265 1.2000 0.9515 1.2104 1.1173 1.2749 0.9872 1.1779 1.1828 1.1250 0.7986 1.1153 0.6852 0.9291 0.9038 0.9809 0.9848 1.0467 1.0874 0.9174 0.9430 0.7275 0.8703 0.7526 0.5930 0.9838 0.8896 1.0807 1.0000 1.0166 0.9142 1.0125 0.9284 0.9097 0.7320 0.6517 1.0542 0.7759 0.6015 1.2733 1.1418 0.8851 1.0056 0.7538 0.9887 0.8376 0.7653 1.0312 1.2810 1.0132 1.0002 0.8689 1.4189 1.0369 0.8138 0.7855 0.9609 1.0208 0.9298 1.0969 1.1682 1.0810 1.0473 1.0646 1.1170 1.0794 alliin 0.0998 0.3137 0.3724 0.1801 1.5066 1.7229 0.9779 0.0998 0.0998 0.0998 0.0998 0.3996 0.5667 1.5946 0.2660 0.0998 0.0998 1.2024 7.4456 0.3896 0.0998 0.0998 0.0998 0.7584 0.0998 0.1746 7.4239 0.8970 0.0998 0.1268 0.0998 0.0998 0.5484 1.0109 1.9510 0.0998 3.7446 0.0998 2.9825 0.0998 1.0636 10.4487 0.4601 0.0998 2.1572 2.4834 0.5135 0.1533 13.1263 2.5932 0.7244 0.0998 0.0998 0.0998 0.0998 0.0998 3.3036 0.0998 5.6779 0.0998 0.0998 0.8191 5.0307 1.0000 0.2058 0.0998 2.6668 4.2147 0.6824 0.0998 0.0998 4.6399 0.0998 0.0998 0.1719 alpha-CEHC 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 1.6990 0.5119 0.5119 0.5119 0.8944 0.5119 0.5119 0.5119 1.1056 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 1.7768 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.6713 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 0.5119 alpha-CEHC glucuronide* 0.3322 0.3322 0.3322 0.3322 0.3322 0.8567 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 1.2298 4.0046 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 1.0167 0.3322 0.3322 0.3322 0.8697 1.0426 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.6646 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.9833 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 1.3546 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 0.3322 alpha-CEHC sulfate 0.3989 0.3989 0.8883 0.3989 0.3989 1.2782 1.4202 0.3989 0.3989 0.7257 0.5050 0.9646 0.3989 0.3989 0.9340 0.3989 2.1296 4.5014 0.3989 0.3989 0.3989 0.3989 0.3989 0.6869 0.3989 2.0010 0.3989 1.1035 0.6424 1.1253 1.2405 1.0713 0.6133 0.3989 0.6842 0.3989 0.3989 0.3989 0.3989 0.3989 0.5336 0.3989 0.7766 0.3989 0.3989 0.3989 0.3989 1.2794 0.3989 0.3989 0.3989 1.4189 0.8479 0.3989 0.3989 0.3989 1.5693 0.3989 0.5659 0.3989 0.3989 0.3989 0.3989 0.3989 1.7232 0.3989 1.0354 0.3989 1.2770 0.3989 0.7311 0.3989 0.3989 0.7461 1.8113 alpha-hydroxyisocaproate 0.4584 0.6339 1.1684 0.4638 1.1896 1.1883 1.5372 0.7322 0.5788 0.8947 0.8555 1.0539 0.7865 1.5915 1.1403 1.2977 0.6039 0.8888 1.4068 0.3239 1.2573 0.5386 1.7853 1.1124 1.1258 3.4512 0.7294 0.8135 1.0654 0.7005 1.2810 1.4171 1.2966 0.5963 0.8628 0.5289 1.1662 1.2124 0.5958 1.1054 1.1683 0.9582 0.6682 0.7618 0.7602 0.5590 0.6774 1.0373 1.2694 0.9633 0.9174 0.8378 1.8342 0.7960 1.0000 0.5908 1.1640 1.0732 0.9071 1.3025 1.0267 0.8049 0.5611 2.0061 0.6351 1.0661 0.9409 1.1658 1.3917 1.6481 0.9901 1.0135 1.4124 1.2507 0.8785 alpha-hydroxyisovalerate 0.5414 0.4867 1.1692 0.7544 1.0241 0.8100 1.1512 0.5450 1.9265 1.8025 0.6392 0.7745 0.6159 1.2629 1.6875 1.4826 0.8660 0.7088 1.4595 0.5349 1.4170 0.5623 0.8666 0.9240 0.7738 1.6761 0.5610 0.7555 0.5679 0.8233 1.1262 3.0020 1.8820 0.5520 1.2971 0.5048 2.4219 1.1686 0.5423 0.8960 1.1185 0.7579 0.7261 0.6492 0.7071 1.0851 0.6310 0.7447 1.0553 1.0384 2.1398 0.7503 2.6616 1.0060 1.2857 0.4007 2.4535 1.1700 0.9204 1.9391 2.6792 1.1592 1.4192 2.5598 1.0000 1.2389 0.6185 1.2375 1.3594 2.9189 0.9029 0.8476 1.3745 0.8960 0.5947 alpha-ketobutyrate 0.8153 0.9277 0.8448 0.7864 0.7426 1.2874 1.1328 1.4532 1.6055 1.1436 1.2716 0.7411 1.0893 0.7937 1.5727 0.7692 1.0000 0.4212 0.8506 0.5617 1.0097 0.6041 0.7033 1.5660 1.3926 1.1973 0.4498 0.8898 0.8458 0.5647 0.9978 1.2139 0.5416 0.8379 1.3089 0.9884 0.5888 1.3542 0.6475 2.2073 1.2673 1.3678 1.1092 1.2673 1.5210 0.7282 0.6551 0.9575 0.8243 0.8419 0.5894 1.3345 1.0705 1.8772 1.9015 0.8780 2.1740 1.2203 0.7036 2.8553 1.5896 1.0143 1.2159 2.4170 0.6757 0.8020 1.4976 0.8853 2.3930 2.5543 1.1623 0.8728 1.8768 0.7323 0.7963 alpha-ketoglutarate 0.8387 0.8635 0.9714 1.3026 0.7321 0.9561 0.7529 1.1098 1.2290 0.7462 1.2807 1.2043 0.7921 1.0023 1.1311 1.0490 1.1343 1.2730 1.5136 1.2140 1.0999 0.7020 1.3359 1.0086 0.9534 0.8281 1.0057 0.9054 1.1056 1.6509 1.4811 1.3762 1.1996 1.0321 0.8906 0.8629 0.8070 0.9771 1.4404 1.1084 1.0072 0.9725 1.0161 0.9337 1.3709 1.1021 1.2102 0.9514 1.1071 1.0000 0.9483 1.0171 0.7907 1.4509 0.9053 0.8861 0.9571 1.0731 1.2788 0.5533 1.7896 1.7257 0.7432 0.9624 0.7324 0.8824 0.7977 0.9989 0.8902 1.0242 0.8420 0.8973 0.9568 0.7992 0.7844 alpha-tocopherol 1.0379 0.9065 1.0721 1.0308 1.1315 1.1425 0.8470 0.9458 1.0154 1.1006 1.0560 0.9429 0.9280 1.0030 1.2978 0.9521 1.1904 1.1846 0.9435 1.0079 0.8591 0.9727 1.1182 1.3843 0.8152 0.9181 0.8557 1.1831 1.1415 1.0529 1.3125 1.4033 0.9613 0.6297 1.1274 1.0358 0.9353 0.7359 0.9736 0.9822 1.1775 1.1570 0.9926 0.5709 0.7667 0.9864 0.9177 1.0716 1.0116 1.2781 1.0456 0.9462 0.8670 1.1938 0.8920 0.7815 0.8996 1.0872 0.7672 0.7685 1.0353 0.9017 1.0000 1.2022 1.0109 1.0050 0.9172 0.7914 0.9760 0.9770 1.1684 1.0398 0.8074 1.2241 0.9965 adenosine 5'-monophosphate (AMP) 0.7374 0.7586 0.5573 2.8513 1.0436 1.4892 0.9075 0.6176 1.1201 1.4136 1.4131 0.9540 1.6036 1.4013 0.4098 1.1330 1.0436 0.8338 0.1846 1.5934 0.4956 1.5110 1.9233 1.3767 0.6624 1.2621 2.2004 3.5926 0.6105 2.9807 1.5952 1.2742 0.6447 1.0560 0.9392 0.3774 2.0271 1.8060 1.3073 1.4540 0.7624 0.8719 0.7128 1.9568 1.6810 0.9040 0.9001 0.6437 0.9342 0.1190 3.5463 0.8204 0.6361 3.0986 0.6148 1.0070 0.5033 1.4005 0.4836 0.7924 0.8369 2.2047 0.6131 0.8182 1.0316 0.5188 1.0000 1.5559 0.5593 0.4688 2.3460 0.7573 0.6236 1.3974 2.4826 andro steroid monosulfate (1)* 0.8749 0.2674 3.2284 1.0569 1.5226 1.4568 1.9191 1.5119 1.4198 1.1265 0.8167 0.5145 1.8227 1.0890 1.8693 1.3649 1.0642 0.8584 0.6312 0.2190 0.7608 0.3127 1.3250 0.8590 1.0430 1.8990 2.5152 0.6844 0.5301 0.5783 0.5761 0.7776 0.1753 1.5995 1.4576 0.5655 1.9581 0.3336 1.7714 0.7814 2.0956 0.8890 0.7591 0.9177 2.4002 2.3481 1.3648 0.9144 1.0146 1.1131 0.9906 0.3869 0.9622 1.9294 1.8188 0.4169 1.3245 0.5600 2.1090 0.8701 0.8268 1.7457 1.0000 0.1952 0.4532 0.7152 1.2132 1.0482 0.7936 1.3017 0.8934 5.0422 0.7993 0.8113 1.7598 androstenediol (3alpha, 17alpha) monsulfate (2) 0.6897 0.5868 3.6947 0.7444 2.6499 4.3812 2.5224 0.6866 0.7249 0.7603 3.0372 2.0721 1.9207 0.8984 0.9826 1.1874 0.7766 0.4581 0.7305 0.3200 1.8607 0.4162 1.0704 0.4430 0.8444 3.7223 0.6817 1.7241 1.3131 0.4201 0.4775 1.1259 1.6296 1.1516 0.6247 1.3860 1.3880 1.0250 2.3312 1.1157 2.7813 1.0436 0.5268 0.4757 0.4264 2.1191 0.6103 1.0343 2.2045 0.7712 1.1653 1.0735 1.2041 2.3673 2.1959 0.5268 1.4350 0.7941 2.5935 0.6610 0.9934 0.6143 0.6576 0.2894 0.6386 1.0000 2.1471 0.5768 1.6869 0.6362 0.6687 0.9815 2.1279 0.6749 2.6636 androstenediol (3alpha, 17alpha) monsulfate (3) 1.1232 1.3161 1.8317 0.7696 1.5716 1.9441 3.2087 0.5338 0.9055 1.1128 1.1212 1.2255 0.8887 1.2270 1.2310 1.1474 0.4733 0.3244 0.8680 0.3583 3.4889 0.3849 0.7414 1.0853 1.8214 1.9369 1.0542 0.7464 1.9308 0.3270 0.4888 1.1777 0.7291 0.9790 0.6003 1.0000 1.2544 3.9906 1.0623 1.3298 1.1253 0.6962 0.7271 1.5615 0.3846 1.8267 0.3672 0.9703 1.5315 0.9687 0.5230 0.9758 0.8098 1.2314 2.4935 0.5957 3.3910 1.3389 1.5798 0.9342 0.9758 0.7103 0.3482 0.4104 0.3837 1.1201 2.4495 0.6284 1.7896 0.6048 0.6890 0.4780 1.2720 1.0183 0.9738 androstenediol (3beta,17beta) disulfate (1) 1.3107 0.9575 2.2481 2.6937 0.9415 2.2502 1.5803 0.6018 0.7947 1.7778 0.9487 1.2221 1.6266 1.0251 2.6394 0.9967 0.5620 0.1752 1.6489 0.3988 1.5198 0.4796 1.1345 1.0000 1.4356 1.7170 0.9448 0.7076 0.9824 0.4860 0.6529 6.1541 0.7484 0.7503 1.1052 0.7770 1.0022 1.0135 0.9142 0.9182 0.9276 1.2102 1.2407 1.0502 0.8145 1.9547 0.4604 0.5460 2.1144 1.5266 0.3790 0.7741 0.9088 1.3456 1.8781 0.6875 1.5816 1.2258 1.0157 0.4502 1.3619 0.7401 0.8446 0.7743 0.6273 1.0838 0.8829 1.9621 1.0014 1.3286 0.7914 0.7725 1.0173 1.2420 0.6516 androstenediol (3beta,17beta) disulfate (2) 1.1650 0.7469 1.7567 1.0820 1.7759 1.9957 1.8760 0.6547 0.8695 1.1589 1.3792 1.4915 1.2976 1.0714 1.0075 0.8890 0.6555 0.3882 0.9782 0.3581 1.5197 0.5005 1.0132 0.5694 0.9562 1.6273 1.0570 0.8605 1.1385 0.4567 0.4631 1.2145 0.7799 1.0000 0.6684 0.7095 1.2210 0.8354 1.2717 0.8478 1.4990 0.8771 0.7376 0.9780 0.7122 1.4458 0.8602 0.7703 1.6090 0.7662 0.8581 0.6889 0.9915 1.3569 1.6779 0.7160 1.3592 1.0293 1.3153 0.7740 1.3013 0.6899 0.9134 0.4622 0.5320 1.1386 1.4154 1.1408 1.4272 1.0653 0.8858 0.9135 1.0974 1.1217 1.0984 androstenediol (3beta,17beta) monosulfate (1) 0.5776 0.4003 3.6744 1.3736 1.1839 3.0212 2.0571 0.3863 0.8439 1.2727 1.4675 1.4353 2.9280 0.6872 2.7790 0.7922 0.6583 0.1798 0.7226 0.3353 1.7297 0.5237 1.1782 0.7410 1.1342 3.0468 1.2070 1.1342 1.2304 0.3421 0.5589 1.8326 0.6596 1.2190 1.0454 0.9956 0.6603 1.2993 1.0000 1.5812 1.0551 1.0595 0.7984 0.7127 0.5672 1.3390 0.4580 0.9393 2.3704 1.8040 0.4597 0.7357 1.2779 1.6146 2.1453 0.7911 1.5180 0.9988 2.1385 0.4776 0.6532 0.5361 0.6624 0.3157 0.1819 0.9325 1.5411 1.0761 1.6137 0.8139 0.6747 0.4617 1.4227 0.7657 1.2248 androstenediol (3beta,17beta) monosulfate (2) 1.9730 0.7759 2.0419 3.1756 0.8855 2.0929 1.8333 0.5891 0.9272 1.9588 0.7900 1.5908 1.7695 1.1439 2.3601 0.7676 1.0713 0.2880 1.4929 0.4551 1.2991 0.5704 0.6423 0.5496 1.2569 2.4684 0.8824 0.7067 0.3752 0.6286 0.8839 2.0939 0.2478 0.8303 0.8436 1.1103 1.7154 0.6423 1.6069 1.0000 0.7323 0.8190 1.5105 0.7205 1.2615 0.9072 0.4233 0.7668 2.4800 2.7460 0.3773 1.3646 0.7371 2.7438 1.6213 1.0011 0.7093 1.8614 0.8112 0.7855 2.8866 1.1070 1.3796 0.4830 1.9688 0.8936 0.6433 1.9681 0.7997 1.7553 1.0718 1.0664 0.9472 1.1090 0.5965 androsterone sulfate 1.4164 0.9140 2.3440 1.1237 1.2184 1.0525 3.4843 0.2927 1.2208 1.4145 0.7954 1.4706 1.0661 1.7512 1.2798 1.0733 0.6219 0.5339 0.5829 0.3537 1.8652 0.3590 0.4413 0.9609 1.8194 2.1990 0.9519 1.0930 0.8087 0.4671 0.6019 0.5552 0.2929 1.0741 0.8905 0.9330 1.2603 1.8855 1.2055 1.0350 1.2450 0.9235 1.1768 0.8165 0.4173 0.8643 0.3192 0.8710 1.5412 1.5342 0.3967 0.9524 0.8403 1.0000 2.0287 0.4978 2.0039 1.4501 1.9044 1.5649 1.7510 0.6429 0.6084 0.3259 0.7094 0.8205 1.4167 0.3977 0.5308 1.1030 1.5903 0.1913 1.2938 1.2469 0.4603 arabitol/xylitol 0.9993 1.2102 0.9625 1.2074 1.3233 1.2668 1.5277 0.7334 0.7319 1.2696 1.3621 1.3086 1.1783 1.0350 1.3736 1.3275 1.2024 2.1721 1.2548 0.9429 1.1376 0.9189 0.9575 1.5223 1.0014 0.9653 0.8518 0.9425 1.0708 0.9962 0.8552 1.0284 0.9428 0.8522 1.1407 0.9573 0.9798 0.8204 1.1878 0.7056 1.0124 1.2636 0.9604 0.8392 0.8815 1.5258 0.6698 0.6623 1.2988 1.3428 0.9713 0.7737 1.0724 0.9787 1.0000 0.6876 0.8965 0.8955 1.3103 0.7746 0.9309 1.2475 1.0207 0.9652 1.3808 1.0007 0.9625 0.9168 1.0489 0.9151 0.6232 1.1249 1.0873 0.8675 1.2519 arabonate/xylonate 0.8037 1.1736 0.6921 1.3860 1.2075 1.4482 1.0829 0.6861 0.5643 1.3438 1.0093 0.7657 1.0560 1.0570 1.3605 1.1778 1.2253 2.1200 1.0000 0.9066 1.1803 0.8236 0.6817 1.0628 1.1609 1.1690 0.9961 0.7050 0.5833 0.6440 0.6865 1.5454 0.5111 0.7597 0.9098 0.7066 0.9055 0.8902 1.6316 1.0915 0.9735 1.2996 0.8723 0.5169 0.7205 1.2092 0.4803 0.5458 1.5981 1.0955 0.6329 1.5651 1.2296 0.8827 0.7344 0.9362 1.2286 1.2075 0.9082 0.5975 0.6344 1.3804 1.8892 0.8062 1.3508 0.7965 1.0821 0.8375 1.1957 1.0296 1.0919 1.0865 0.7691 1.0129 0.9778 arachidate (20:0) 1.0428 1.3166 1.1047 1.0739 0.9672 0.9229 0.8130 1.1268 1.1871 0.9656 1.0040 1.1993 1.0249 1.2117 1.3195 1.4539 0.9070 1.3279 0.9810 0.7653 1.3064 0.7209 1.0363 1.0000 0.8805 0.8266 1.0944 0.7417 1.7752 1.1175 1.5115 0.7955 1.0528 0.9664 1.1949 0.6648 0.9794 0.7872 1.1672 1.5979 1.0923 0.9661 1.7779 0.8034 1.1091 1.9072 0.8522 0.7103 1.1993 0.7446 1.0196 0.8173 3.3004 1.0671 0.9966 0.7138 0.9579 0.9649 0.7348 1.3572 1.3027 1.1725 0.7817 0.7720 0.8660 0.7290 1.1297 0.7863 0.9315 1.2099 0.7081 0.7982 0.9610 1.1951 0.8226 arachidonate (20:4n6) 1.0706 0.8522 0.8312 0.9052 0.9116 0.9739 0.6741 1.0285 1.1471 0.9562 0.7922 1.1812 1.3293 0.9085 1.2675 1.4805 1.2778 0.8165 0.8297 1.2689 1.0962 0.6710 1.1454 1.0072 0.8631 1.1636 0.7672 0.8675 0.7866 1.1343 1.2507 1.2717 1.1219 0.9468 1.3009 0.6350 1.3021 0.9065 1.1531 1.3032 0.6918 1.0153 1.3362 1.5020 1.4498 0.7759 1.5249 0.9392 0.7325 0.9375 0.9892 1.2253 0.5584 1.3595 1.1790 0.9376 1.0455 1.0000 0.5407 1.0696 1.9228 0.6053 0.7412 1.1360 0.4760 0.7423 0.8946 1.1884 0.9235 1.2418 1.2654 0.9265 0.8366 1.3434 0.5368 arachidonoyl ethanolamide 0.6270 0.7466 1.0611 0.8980 0.6862 0.6378 0.5870 0.5393 1.1172 1.3701 0.9870 1.1786 2.0021 0.9852 0.8878 1.0204 0.9110 0.3883 1.0076 1.0917 2.1001 0.8595 1.7210 0.8271 0.6081 1.0334 0.4974 1.7006 1.4520 1.2417 0.8916 1.3977 1.4292 0.9228 1.5910 1.2652 1.4689 1.4306 0.8893 0.6112 0.3883 1.4979 1.2119 1.4838 0.8774 0.3883 1.3719 0.6420 0.9482 1.2300 0.8512 1.2392 0.5573 2.0288 1.2621 1.1791 0.6602 0.6791 1.2642 0.8376 1.4328 0.3883 0.5343 0.6791 0.4646 1.2230 1.0251 1.2508 0.9924 1.0873 0.6825 0.8491 0.7366 1.0842 0.4625 arachidonoylcarnitine (C20:4) 0.4099 0.6683 1.2875 0.6489 1.5938 1.0831 2.9766 0.6252 0.6009 1.0373 1.4178 1.0000 0.8470 1.0775 1.4166 1.8851 0.9221 0.9999 1.1637 0.8715 2.9071 0.7795 2.9671 0.9995 1.2237 0.9520 0.7462 1.7676 1.0034 1.6474 0.9116 2.3897 1.6109 0.9066 1.9676 1.1834 0.8197 2.6422 1.1468 0.5928 0.8268 2.6691 0.7646 1.1645 0.8011 1.7979 0.5021 0.5232 0.9828 1.2126 1.1004 0.9437 0.7152 0.7426 1.4132 0.9011 1.7277 1.0548 1.0831 0.8099 0.9037 0.7934 0.8434 0.7063 0.4778 2.0021 1.9691 1.5121 1.0828 0.5621 0.9809 0.7235 1.5773 1.0065 0.8935 arachidonoylcholine 0.6714 0.2752 0.4967 1.0000 1.6634 1.4213 0.8991 0.9175 0.6795 1.8960 0.8317 1.4839 1.6632 0.7108 0.8218 1.2787 1.8118 1.4184 2.2706 1.6225 1.6193 0.7650 1.8865 1.2038 1.1548 1.3255 0.6156 0.1549 0.4119 1.8959 1.0055 2.2109 1.6849 0.4400 0.8457 0.3238 3.4925 0.4366 1.6179 2.5141 0.5484 1.8587 1.4987 1.6875 0.6315 0.6221 0.4965 1.2337 0.6043 1.5076 0.1421 1.4922 0.4495 0.9838 0.7950 1.3746 1.4704 1.2764 0.2376 0.6028 0.4394 0.2692 1.1273 0.7378 0.9830 1.0096 0.3865 2.2443 0.2502 0.3820 1.3598 1.3682 0.2806 1.6769 0.1270 arachidoylcarnitine (C20)* 0.4885 0.9709 1.0431 0.5437 1.7520 0.6672 1.0905 0.9721 0.9974 0.9473 0.9421 0.6693 0.6021 1.3038 1.5237 1.0614 0.9137 0.9641 1.1167 1.1852 1.1050 0.8222 1.7103 1.6656 1.5825 0.7304 1.4009 1.8360 1.4099 1.3696 2.0124 0.8990 0.6915 0.8877 1.0026 0.8355 0.5867 1.0977 1.0296 1.1975 0.4504 0.9398 0.4504 0.5012 0.9762 1.3981 0.4504 0.5826 0.9291 0.4504 0.8642 0.8175 2.8649 1.4209 0.4504 0.5687 1.8755 1.1215 1.0393 0.6292 1.3697 2.2524 0.7002 0.7584 0.6496 1.2157 1.0776 0.4504 1.0821 0.7184 1.0488 0.4504 1.2547 0.4504 0.9475 argininate* 0.7243 0.3667 0.6826 1.5627 0.5553 1.4130 1.0000 0.7696 0.5674 2.1837 1.1943 1.1461 1.0568 0.5880 1.1007 0.5579 1.6051 1.2643 1.3269 0.5277 0.7824 0.8890 1.3436 2.3650 1.0414 0.5122 0.2860 1.5497 2.3150 0.6350 0.9604 1.0946 0.7583 0.3353 0.7211 0.5895 0.8474 1.2445 1.0872 0.6346 2.6674 1.5368 0.4551 0.4099 0.5896 4.9875 0.9683 1.0727 0.8378 3.4853 1.4163 1.0751 2.7275 0.4246 0.7047 0.3486 0.8910 0.6378 1.2690 0.4671 1.7032 2.1977 0.7918 1.8318 1.4474 1.1294 0.7216 1.1539 2.2029 0.8526 1.1744 0.5276 2.0946 0.3292 1.1186 arginine 0.8363 0.9156 1.0859 0.6734 1.0552 0.9656 1.2672 1.2344 0.7476 0.9242 1.1619 1.4862 0.8902 1.3457 1.0228 1.1700 1.0819 0.9437 1.3200 0.9575 0.8119 1.1454 0.7456 1.0287 1.2316 1.1136 1.2430 0.8184 0.8415 0.7169 1.1587 1.2864 0.7686 1.0486 0.7136 0.9087 1.0000 0.9166 0.8087 1.0843 1.1847 1.1148 0.9373 0.7459 0.7165 1.2586 0.7337 1.1095 1.0797 0.9702 1.0238 1.1972 0.7864 0.8098 0.7699 0.9671 0.8820 1.0290 1.2628 0.6494 0.8972 1.1446 0.7658 0.9418 0.6093 0.9570 1.1193 1.1053 0.9065 0.9231 1.0830 1.1311 1.0953 1.0086 1.1260 asparagine 1.1058 1.0573 1.1145 1.0546 1.0769 0.9239 1.0221 1.0089 1.1297 0.7645 0.8537 1.2177 0.8452 1.2086 0.8751 1.1452 1.0512 1.0260 1.0952 1.0807 0.9523 0.9797 1.0715 0.9348 0.9636 1.0305 1.0675 0.9074 0.7261 0.8390 1.1567 0.8498 0.9117 0.9615 1.0409 0.8154 1.1255 0.8715 0.8874 1.0356 0.9468 0.9815 0.9844 0.9236 0.8678 1.1549 0.9646 1.0310 1.1626 1.1812 1.0183 1.0821 1.0408 0.8334 0.9398 0.8473 0.9402 0.9181 0.9787 0.8214 1.1772 1.0818 1.0390 0.8848 0.9550 0.8902 1.0000 1.1579 0.7596 1.2576 0.8835 1.0229 1.0046 0.9593 1.0552 aspartate 0.5477 0.7139 0.9347 0.8314 0.8854 1.6302 1.1376 0.8817 1.3057 1.0854 1.8803 0.8120 1.3400 0.9942 0.9860 0.7461 0.8797 0.7591 0.5053 0.6926 1.2279 1.6561 0.8071 1.5326 0.9193 1.0940 1.0822 1.0013 1.0990 0.8462 0.7452 1.4995 1.1244 1.0682 1.0595 0.9832 1.0000 1.6620 0.9138 1.0024 0.9577 1.6611 1.0643 1.6380 1.3463 1.6102 0.5538 0.9013 1.3403 0.6775 0.8483 1.1059 0.6954 1.7551 1.1428 0.6263 0.9189 0.8353 1.6066 0.8679 0.6048 1.0130 0.8487 1.1493 0.9416 1.1999 1.2436 0.6687 0.9185 0.5738 1.2518 0.8662 1.4048 1.4540 1.2231 azelate (nonanedioate) 0.8357 0.8744 0.8832 1.4082 0.6311 0.7146 0.6249 0.6854 0.9598 0.6677 0.8347 0.8760 0.8425 0.7537 1.1521 1.0140 0.7148 1.2799 0.7891 1.1921 1.4166 0.8974 1.1468 1.1428 0.7634 1.0729 0.8723 1.1428 1.3738 0.7994 0.9565 0.9714 1.3239 1.0000 0.9202 0.7713 0.8832 0.8306 1.0589 1.0564 1.0382 0.9312 1.1048 0.7175 1.0326 57.0089 1.4945 0.8389 1.1987 1.5816 1.1927 0.9677 1.3516 1.1777 1.0020 1.0846 1.1478 0.9407 1.5464 1.4341 1.7532 0.9199 0.7897 1.1102 1.2273 1.0767 1.5120 0.8717 1.0998 0.5390 0.5275 0.5496 1.0190 0.6629 1.0163 behenoyl dihydrosphingomyelin (d18:0/22:0)* 0.9348 0.9654 0.6024 1.6616 1.0770 1.8534 0.7838 0.7407 1.0000 1.8895 2.3682 0.8401 0.8586 0.6345 1.4989 0.7100 1.2889 1.0784 0.6192 1.1569 0.8863 0.5075 1.3661 2.6341 1.6687 0.7861 0.5371 1.0859 3.2580 1.6190 1.0875 3.2151 1.3763 0.6549 0.7185 0.8593 1.1486 0.7898 0.7233 1.7678 0.6640 1.1884 0.7548 0.6569 0.6602 1.2191 1.7792 0.4416 0.5930 1.2374 1.1213 1.4232 0.4538 1.7124 0.5624 0.8831 0.8615 1.0807 0.7610 1.3260 1.2544 1.0739 0.8495 2.3458 1.2402 1.2222 0.9030 0.4686 1.1461 0.6195 1.0964 0.8763 1.2116 0.9834 0.6103 behenoyl sphingomyelin (d18:1/22:0)* 0.8876 0.9763 0.8483 1.1420 1.2465 1.1214 1.0249 1.0234 0.9982 1.5285 1.0970 1.0000 1.0582 0.9297 1.2824 0.8087 1.2521 1.2407 0.8273 0.9343 0.9199 0.9396 1.1063 1.4275 1.2766 0.7860 0.9928 1.3400 1.3504 1.0063 1.1467 1.4224 0.9743 0.6653 1.1494 1.1243 0.9999 0.9993 0.9596 1.2186 0.9380 1.1844 1.0376 0.8673 0.8603 0.9438 0.9702 0.8995 0.9031 1.0315 1.2018 1.1076 0.9136 1.0588 0.7862 0.9584 1.0972 0.9750 1.0358 0.8162 0.6959 0.9755 0.9076 1.2346 1.1152 1.0833 0.8761 0.6396 0.9001 0.8170 1.0204 1.1673 1.0362 1.0475 0.9610 behenoylcarnitine (C22)* 0.5855 0.7547 0.9599 0.6958 1.2620 0.7176 1.1837 0.8414 0.6896 1.0157 1.2722 0.7769 0.6831 1.1780 1.8350 0.8364 0.8758 1.2567 1.0344 1.0000 1.2210 0.8641 1.5549 3.2666 1.4220 0.8219 1.4681 1.8563 4.2009 1.3690 5.8954 1.2095 0.7618 0.8484 0.8677 0.7570 0.7260 0.9533 1.5895 1.5688 1.2073 1.3061 2.0649 0.6880 0.9063 4.4187 0.5277 0.8252 0.6055 0.7057 0.8355 0.7522 11.1541 1.0540 0.6802 0.7282 2.3398 0.8242 1.2266 0.7232 1.2159 5.3569 0.7107 1.2147 1.3671 1.2895 1.3058 0.4946 0.8857 0.6190 0.7860 1.1148 1.2912 0.8165 1.0313 benzoate 0.3054 0.7734 0.7161 0.7784 1.1189 0.9530 0.9753 1.1810 1.3961 1.3050 0.3054 1.0496 1.1508 1.1908 0.9912 1.3440 1.0851 1.0022 1.3308 1.3392 0.6283 0.7595 1.2611 1.2154 0.9735 0.8308 1.0593 1.0769 1.1619 0.4917 0.7072 1.2454 1.3073 0.7397 0.7951 0.9435 0.4875 0.9107 0.8552 1.0024 0.7758 0.9978 0.3054 1.1713 0.8746 0.7880 1.5560 1.1064 0.7344 1.0136 0.6230 1.4347 0.8826 1.0861 0.6057 0.9371 1.2431 0.9906 0.9531 2.4990 1.4642 0.5621 0.6853 1.0916 1.2218 1.4560 0.4566 0.3054 0.9198 0.8884 1.3221 1.0716 2.2314 1.3364 0.9775 beta-alanine 0.8983 1.1721 1.1061 0.8691 1.2140 1.2519 1.2528 0.6615 0.6677 0.9104 1.0582 1.6385 1.0541 1.1208 0.9573 1.3246 1.3847 1.0073 1.6660 0.9721 1.0321 0.7469 1.2851 1.1094 0.6701 1.0190 0.7004 1.3809 1.3619 0.8935 1.1523 0.8925 0.7808 0.8105 1.4654 0.9977 0.6598 0.9559 0.8300 1.0491 1.1456 0.7979 0.6338 0.8497 1.1352 0.7314 0.7181 1.5483 1.0887 1.1325 0.8388 0.8576 1.3411 1.0000 1.1910 0.8450 0.7975 1.7001 0.7409 0.9655 2.0295 1.5163 0.7115 1.5189 1.0125 0.9818 0.6893 1.3300 0.9167 1.5510 0.7940 0.7756 1.5115 0.6996 0.9232 beta-citrylglutamate 0.6112 0.8848 0.6356 0.8427 0.8797 1.2852 0.8190 0.7901 1.4543 1.3348 1.2844 0.9983 1.1344 1.0338 1.1347 0.9016 1.2984 1.0649 0.6889 0.6506 0.9387 1.1262 1.0191 1.1048 1.1938 1.8138 1.2355 0.6202 0.4796 1.2250 1.0163 1.3547 0.6520 0.8588 1.0569 0.7761 1.2805 1.3757 1.1695 1.0861 0.8693 1.1677 0.9347 1.6036 1.1434 1.1151 0.3752 0.7838 1.0922 0.8175 0.6878 0.6949 1.0000 1.6546 0.9372 0.6518 1.5351 0.8903 0.8841 0.6864 0.8532 1.2689 0.9457 1.2670 0.9583 0.8769 0.9950 0.5047 0.5822 1.0890 1.4236 1.0133 1.0452 1.0442 0.9143 beta-hydroxyisovalerate 0.5139 0.6418 1.2230 0.3642 1.1675 1.4027 1.0558 1.2583 1.2027 4.2218 0.8712 1.0579 1.5706 0.8341 1.1497 2.0051 1.0327 0.8064 1.5948 1.0000 4.0283 0.4840 2.2447 1.1175 0.8964 0.7674 0.6760 0.6434 1.0547 1.2180 0.7686 2.4397 1.7259 0.4813 1.0249 0.5314 0.5428 1.6570 0.3633 1.7777 0.9928 1.2903 0.7946 2.3027 0.8364 0.7007 2.0437 0.9544 0.5028 0.8989 0.7803 1.4185 1.5243 0.9102 0.6989 1.0320 1.1520 0.7783 0.7456 1.1148 0.6773 0.6618 0.7731 1.3090 1.3488 1.0227 0.3495 0.8444 1.1619 1.2218 0.7598 0.7050 1.0662 0.5997 0.5677 betaine 0.6085 0.6675 1.0310 0.7169 0.8844 0.9710 1.3359 1.2211 0.9188 0.9806 1.0000 0.9667 1.2140 1.0800 1.4101 1.2295 0.7973 1.2814 1.2652 0.8735 1.0424 1.0546 1.3231 0.8840 1.1721 1.1401 0.9244 1.0920 1.0373 0.9917 0.9792 1.1874 1.0904 1.0766 0.8885 0.8841 0.8126 1.2360 1.6295 0.9579 0.8947 1.0880 0.9816 1.0199 1.1255 1.2573 0.5992 1.0945 1.3481 1.0225 0.6997 1.0218 0.7234 0.6808 1.1560 1.0558 1.0838 0.9058 1.3672 0.9290 0.8983 0.9373 0.5809 0.8698 0.5172 1.1340 1.6335 0.9535 1.0443 0.6915 1.0809 0.9298 0.9558 0.8420 0.8942 beta-sitosterol 0.8267 0.6226 2.2002 1.2588 0.9534 0.5918 0.8632 1.6716 0.8126 1.3327 0.3733 1.1697 1.3236 1.0886 0.5866 0.4750 2.3955 2.7176 1.3367 1.5207 0.8464 1.0419 1.1989 1.2598 0.7835 0.3586 1.5887 2.5607 1.3360 0.9537 2.3116 1.1526 0.7593 0.4015 2.1908 0.9593 1.0819 0.5969 1.7506 1.1668 0.8943 0.8797 0.5855 0.9782 0.9302 1.2089 1.3352 1.0226 0.9278 1.4629 1.4057 1.0000 1.3387 0.3397 0.6604 1.0024 0.7807 0.7629 0.9972 0.3599 0.9221 2.2054 0.5982 0.9491 1.4342 1.3459 0.6099 0.2463 0.9114 1.2263 1.7117 1.4639 0.5312 0.9659 1.1672 betonicine 0.4041 0.7621 0.2465 0.2465 1.1553 0.6584 1.7831 73.0184 0.2465 0.2465 0.2465 0.2465 0.2465 0.8738 0.2465 0.6916 0.2465 2.3946 0.2465 0.2465 0.2465 3.9481 1.6124 2.7944 1.0000 0.2465 1.4937 1.4271 12.5007 273.5246 1.8903 0.2465 0.5451 0.4679 0.2465 0.5878 0.7951 0.2465 0.2465 0.5445 2.0933 0.2465 2.5072 0.2465 0.2465 0.8333 0.2465 3.4014 1.4962 0.2465 0.8384 0.2465 18.0848 0.6695 0.2465 0.4436 0.2465 3.1101 0.8457 0.2465 0.7639 53.6302 0.3925 0.6827 1.8315 4.6369 0.4196 0.2465 1.0683 0.2465 0.2465 0.6072 0.2465 0.2465 0.3569 bilirubin (Z,Z) 1.0162 0.8296 1.4078 0.8485 1.6574 1.0479 1.8786 1.2196 0.7341 0.4396 2.4744 1.0957 0.8125 1.2728 1.3484 1.1757 1.5041 2.0862 1.5443 0.5491 1.1804 0.4469 0.7953 0.7477 1.1698 1.0310 1.0000 1.0893 0.8238 0.3315 0.8688 0.7694 1.1612 0.6894 1.2321 0.5134 0.8410 1.1043 1.0199 1.9159 1.0199 0.8695 1.1677 0.8833 0.7714 0.5794 1.2594 1.0115 0.8501 0.7415 0.9897 0.8158 0.6255 0.8288 2.0970 0.8959 1.6959 1.6462 0.7812 0.8154 1.0711 0.8720 0.7466 0.8555 0.3174 1.9345 1.4892 0.4505 1.0929 1.3227 0.6151 0.7173 2.2213 1.0408 0.5336 bilirubin (E,E)* 1.2310 1.1042 3.1428 1.0917 2.8403 1.5198 1.9908 1.5339 0.7000 0.3582 2.2139 1.0820 1.0000 1.5671 1.5529 1.4488 1.4648 1.9290 1.2601 0.4134 1.4974 0.4667 1.0833 0.5018 1.0551 1.1870 0.7608 0.8256 0.8215 0.2753 0.8581 0.8966 1.8244 1.1693 1.9035 0.3350 0.7189 1.0510 1.1830 2.0936 1.0955 0.9143 1.7597 0.9738 0.6957 0.3826 0.9980 0.7449 0.8654 0.5122 0.7463 0.4459 0.3317 0.5423 1.8166 0.6620 1.2207 1.7488 0.6092 0.8687 1.2238 0.4702 0.4228 0.5340 0.1792 1.6248 1.4612 0.3155 0.7267 1.1618 0.4300 0.5176 1.5814 1.0512 0.2759 bilirubin (E,Z or Z,E)* 1.1870 1.1483 1.7899 0.6640 1.7266 1.2669 2.2716 1.4232 0.7357 0.4969 2.5115 1.1515 0.9064 1.5267 1.5085 1.4390 1.7765 2.0288 1.4744 0.5457 1.2052 0.4302 0.8957 0.8871 1.2891 1.0814 0.9559 0.2717 0.9087 0.3428 0.9675 0.9753 1.4560 0.7838 1.2873 0.6805 0.8296 1.2266 1.0193 1.8942 1.1198 1.0000 1.3058 1.0083 0.6423 0.7168 1.4566 1.1478 0.9984 0.9914 0.8167 0.6147 0.5683 0.6679 2.3559 0.9787 1.6872 1.3449 0.8152 0.8585 1.2435 0.5238 0.8621 0.9749 0.3272 2.1013 1.6683 0.4039 0.9051 1.5599 0.6717 0.7138 1.8078 1.1651 0.4102 biliverdin 1.2523 0.7771 1.9243 1.0000 2.0238 1.1727 1.8483 1.1270 0.5802 0.3022 2.7036 1.1646 0.8713 1.4139 1.5411 1.3220 1.3053 1.6680 1.5668 0.3795 1.2606 0.3442 0.8869 0.5368 1.0688 1.0872 1.5891 3.2606 0.8561 0.4750 0.6572 0.7057 1.1560 0.9641 1.0934 0.4493 0.7850 1.1367 0.9113 1.9272 1.0456 0.8816 1.3042 0.8392 0.6807 0.4599 1.6447 0.8961 0.8483 0.5073 1.2277 0.5013 0.3705 0.9334 1.9193 0.8194 1.3012 2.7287 0.9763 0.8305 1.0715 1.9103 0.5071 0.6074 0.1794 2.2362 1.5077 0.4617 1.0262 1.2223 0.4359 0.5512 1.8955 0.9635 0.7195 butyrylcarnitine (C4) 0.7507 0.9297 0.9930 0.6124 1.1953 10.7433 1.0000 0.8875 4.3269 1.3322 2.4026 1.1996 0.8397 0.9691 0.9974 0.8166 0.8013 1.5875 1.5307 1.2346 1.7478 2.6723 1.3957 2.2616 1.8217 0.5267 0.9649 1.1213 1.4449 0.6867 0.8637 1.3217 1.0920 1.1098 0.9498 0.9579 0.9983 1.3100 1.1254 0.9152 0.8214 1.1506 2.2321 0.8710 0.7713 5.3504 0.5601 0.5212 0.7554 3.2879 0.8120 1.2290 2.0547 1.1307 1.2993 0.6870 0.6085 0.5603 1.0424 0.8164 0.7902 0.8963 0.9593 1.8158 0.9103 1.0902 1.5442 0.8336 2.1529 0.6765 0.6255 0.8817 1.2539 6.4760 1.2159 caffeic acid sulfate 0.2689 0.2689 0.2689 1.4915 0.2689 0.8865 1.5362 0.4081 0.2689 0.7009 0.2689 1.5924 0.2689 0.4696 0.2689 0.2689 1.0583 1.7751 0.9756 0.2689 0.2689 0.3010 0.2689 0.2689 0.6611 0.2689 0.6725 17.0002 0.2689 0.2689 1.1602 0.2689 0.2689 0.2689 0.6953 0.2689 0.7806 0.2689 4.5091 0.2689 1.0000 0.2689 0.2689 0.2689 0.7207 247.8868 0.2689 0.2689 5.2009 8.3319 0.2689 6.0763 0.4072 0.2689 0.5834 0.5498 4.1605 0.2689 3.1951 0.2689 0.2689 3.4911 0.7280 1.8938 1.9858 1.4589 0.2689 0.2689 0.2689 1.2107 0.2689 0.3750 0.2689 0.9663 0.6030 caffeine 0.8014 3.2725 1.9945 4.3226 1.2902 0.5779 0.0309 0.0853 0.0996 0.2480 0.1463 0.0309 0.0309 0.0309 0.0309 0.0309 0.0973 1.6612 0.9383 1.1061 0.2054 0.0309 5.0329 3.2884 14.2924 0.4426 1.5303 14.7843 1.2398 0.5427 3.9943 0.0309 0.1525 0.4694 0.5565 2.0323 1.5770 0.6476 2.6324 0.1413 0.1771 0.7875 3.3129 1.1137 0.6928 4.0996 1.1854 0.1778 1.0000 0.6005 0.0309 1.1509 1.6418 0.3772 5.8997 0.3783 0.5796 0.0698 9.8424 0.5256 21.3136 0.6532 5.4323 19.6003 5.5585 0.0309 0.0309 2.0884 0.0309 5.5626 0.0309 0.2407 0.4628 0.0309 0.0309 campesterol 1.1336 0.5406 2.3538 1.1802 0.8982 0.7807 1.0241 1.5455 0.9164 1.6285 0.4024 0.8089 0.8767 0.6667 0.6895 0.7165 1.8665 1.9903 1.2427 1.2685 0.9614 1.1380 0.8638 1.3960 0.8872 0.3067 1.0822 2.3840 1.2738 1.0809 2.1997 1.2887 0.7829 0.4720 1.9223 0.6768 0.7099 0.7300 1.7277 1.2745 0.9423 0.7608 0.4830 0.6191 1.1435 0.7160 1.2070 1.2512 1.0244 1.3576 1.2743 1.2321 0.6040 0.4108 0.7730 1.0750 0.5589 0.7419 0.9956 0.5691 0.9028 1.7986 0.4391 1.0085 1.3537 1.4887 0.7430 0.3827 1.3335 1.1250 1.6558 1.0000 0.2765 0.9629 1.2312 caprate (10:0) 1.0352 1.2166 1.0609 1.5812 0.7348 0.7478 0.4410 1.0247 1.4801 0.9739 0.6828 0.9381 1.0624 1.6530 0.7507 0.9216 1.3378 0.8415 1.1163 1.0011 1.4388 0.8979 1.1724 0.9476 1.0000 0.9976 1.4695 1.4614 0.9998 1.1825 2.2224 0.7094 0.6829 1.2395 2.5039 0.8643 2.3773 0.7891 1.8865 1.4273 1.3532 0.6063 1.5216 1.0209 1.1496 1.2497 1.2590 0.9503 0.6372 0.8411 0.9616 1.7140 0.4474 0.7369 0.7889 1.4498 0.6882 0.7629 0.5488 0.7997 3.1651 0.8731 0.8426 0.7767 0.6726 0.6422 0.5465 1.7684 1.1155 1.5652 0.6955 0.9078 1.0668 2.1029 1.4285 caproate (6:0) 0.9809 0.7304 1.0919 0.5709 0.7455 1.1697 0.5709 0.8914 1.0789 0.9441 0.7627 0.9665 0.9615 1.0000 1.0069 1.4570 0.9236 1.0839 1.5502 1.4953 1.0928 0.5709 1.3336 0.8066 0.9985 1.3165 0.8513 1.1246 0.9877 0.9094 1.1632 1.2848 0.9841 1.0330 0.9263 0.9290 0.8842 0.9295 1.0757 0.5709 0.9291 0.5709 0.5709 1.1054 0.9345 1.3203 1.4844 0.7764 0.7146 1.1158 0.8654 1.5755 0.9546 0.8955 0.5709 0.9385 0.7190 0.9385 1.2132 1.8298 1.9454 0.8849 0.9225 1.5814 1.2255 1.2360 0.9089 1.1448 0.5709 1.1591 1.5566 1.1381 0.5709 4.6641 1.4056 caprylate (8:0) 0.6127 0.9296 1.0088 1.1718 0.8636 0.6708 0.5052 0.6482 1.8285 1.0700 0.7860 1.1913 0.9214 1.4690 0.6701 0.9367 1.4548 2.4797 1.5383 1.2549 1.2819 0.6621 1.3293 1.0441 0.8004 1.1532 1.4254 2.5789 0.9495 1.5445 1.1992 1.1401 1.1068 2.6538 0.9527 0.6810 1.0653 0.5085 1.4898 1.0000 1.4482 0.8591 1.2143 0.9147 0.8459 1.9998 1.7114 0.9477 1.1050 0.8102 0.9186 1.1553 1.8798 0.5015 0.5633 1.0935 0.8622 0.7060 0.5405 0.7776 2.6497 0.6350 0.5649 0.8287 1.1114 0.3895 0.4567 1.8444 0.9409 1.3163 0.8567 1.0000 0.9570 1.5524 1.0787 carboxyethyl-GABA 0.9733 1.0808 1.1244 1.1231 1.5054 0.9395 1.2907 0.8218 0.9253 1.0229 1.3154 0.9693 0.8580 0.7844 1.1966 0.9603 1.1800 1.7479 1.1745 1.2798 1.0872 0.9127 1.0601 1.2718 0.9778 0.8143 0.8424 1.0692 1.1007 1.0000 0.8515 1.0602 0.4645 0.8676 1.0006 0.7462 1.1831 0.8106 1.4092 0.9602 1.0941 1.0099 0.9914 0.7921 0.8875 2.2020 0.8760 0.6490 1.0389 1.1150 1.1740 1.0692 1.4499 0.9493 0.9400 0.8712 0.9486 0.8262 1.4678 1.0565 0.6274 1.4122 0.9749 0.9559 1.2390 1.1569 1.1438 0.9477 0.9997 0.6550 1.0385 1.0277 0.7752 0.8665 0.9748 carboxyibuprofen 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 carnitine 0.8488 0.7540 1.0476 0.7792 1.0465 0.9619 1.1555 1.0727 1.0538 0.9240 1.3334 0.9544 0.7492 1.0233 0.9712 1.0079 1.0298 1.0482 1.3244 0.8715 1.1834 1.0280 1.0078 1.0592 1.2035 0.8750 0.8979 1.0167 0.9608 0.7895 0.9197 1.1445 0.9012 1.1767 0.7936 1.0934 0.8807 1.1905 0.9043 1.0000 0.9529 1.3110 0.7749 0.9294 1.0671 0.9689 0.9195 0.8462 0.9121 1.0634 0.8822 1.0685 0.8202 0.9415 1.0883 0.9405 1.1212 0.9015 0.9172 0.7662 0.6608 1.0657 0.9853 1.1071 0.8653 1.0928 1.4612 1.1109 1.1866 0.9687 1.0264 1.0055 1.0711 0.8025 1.1063 catechol sulfate 0.1745 0.3672 0.5681 3.4763 2.0433 1.6036 1.5648 0.4405 0.8704 1.4782 0.4532 1.4422 1.0074 0.8895 0.2756 1.7076 0.9007 2.4900 1.1691 0.8695 0.5558 0.6573 0.7413 1.8404 0.7533 0.2909 2.4461 3.2256 1.1639 0.8900 1.8210 0.1549 0.3277 1.0000 3.0189 0.7195 0.8690 0.7701 3.3359 0.8038 1.5323 1.5607 0.8145 2.0799 0.6019 14.6815 0.2174 0.4839 2.0614 3.5591 0.5667 3.6708 4.6123 0.5156 1.4520 0.4569 1.3052 0.3263 1.3227 0.2958 0.7382 3.7300 1.3024 0.8826 1.4156 1.4153 2.1464 0.3899 2.2038 0.6182 0.5359 1.7310 0.4059 1.0947 1.3212 ceramide (d16:1/24:1, d18:1/22:1)* 1.2699 0.8752 1.1509 1.5531 0.9744 1.4653 0.9326 1.0000 1.6409 0.8297 1.7931 0.7330 1.4166 1.0714 1.5912 1.2686 1.5146 0.2782 1.1282 0.8002 0.8524 1.1758 0.7285 2.2059 0.6732 0.8944 0.8664 0.9595 0.6470 0.5815 0.7254 1.1010 0.9120 0.5083 1.7519 0.9689 0.6304 0.8907 0.7816 1.0985 1.2980 1.3561 0.8351 1.0816 0.8081 0.8463 1.1230 1.0199 1.5752 0.9829 0.7869 1.1301 0.6307 2.6738 2.3646 0.6214 0.7215 1.1215 0.9337 0.5468 1.0952 0.5244 1.3832 1.6984 1.2506 1.3318 1.1991 1.5775 1.2391 0.9946 0.7148 0.9159 1.5640 1.4362 0.6493 ceramide (d18:1/14:0, d16:1/16:0)* 1.0139 0.9610 0.8834 1.2435 0.9754 1.3490 0.9308 1.0251 1.3751 1.2323 1.1059 0.7316 1.6394 0.9210 1.1354 0.9109 1.0768 0.5850 0.8365 1.0463 0.9243 1.1606 0.8492 2.5213 0.9806 0.7615 1.0910 0.9433 1.2582 1.0121 0.9697 0.8531 0.9011 0.4897 1.3066 1.1752 0.9147 0.7301 0.9256 1.1334 1.3396 1.1825 0.9886 1.2591 0.7806 0.7055 1.1084 1.4091 1.3527 0.9332 0.9087 1.1784 1.0714 1.7625 1.0000 1.1302 0.8568 0.8266 0.9466 0.6196 0.9111 0.7408 1.5463 1.8058 1.3074 1.2353 0.7192 0.8514 1.1844 0.9607 0.7593 1.2234 1.0313 1.6901 0.6995 ceramide (d18:1/17:0, d17:1/18:0)* 0.6966 0.6776 0.8208 0.7278 1.4070 1.3524 0.6199 1.0017 1.4104 0.8930 1.3124 0.5706 1.8778 1.1040 1.4773 1.1293 1.0000 0.3425 0.7959 1.3866 0.8094 1.0612 1.0029 2.1767 0.6213 0.5861 0.8481 1.5282 1.1834 0.9573 0.7074 1.3547 1.0880 0.5264 1.1752 1.5361 0.7562 0.5731 0.6508 1.6682 1.3664 0.7216 0.5026 1.4952 1.3339 0.3551 1.6752 1.5275 1.1564 0.6893 0.6980 1.3618 0.3831 1.8761 0.9555 1.3999 0.7615 1.3784 1.0447 0.7486 0.6425 0.2478 0.7338 2.2170 0.6461 1.0925 1.1801 0.8719 1.0395 0.7983 0.8517 1.1069 1.4250 0.9725 0.8507 cerotoylcarnitine (C26)* 0.5465 0.7818 0.6077 0.6429 2.1428 0.8634 1.1629 0.9154 0.6016 1.0067 1.4368 1.0360 0.8387 1.2394 1.8369 0.7519 1.0000 1.1068 1.0539 0.8023 1.1946 0.7902 1.3324 1.9308 1.2065 0.6954 1.3128 1.3847 1.3909 1.3196 1.2656 1.7148 0.7226 0.5343 1.0226 1.1049 0.8514 1.2554 1.1189 0.8655 1.1403 1.3917 0.9015 0.6058 0.6753 1.2161 0.4250 0.5905 0.6936 0.8115 0.6909 0.8172 1.6346 0.8442 1.0586 0.7368 1.4682 0.9829 1.2221 0.6869 1.0018 1.2863 1.0533 1.0463 0.9630 1.5506 1.0653 0.5147 0.8656 0.6865 0.7572 0.8105 1.5168 0.6753 0.8728 Cetirizine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 C-glycosyltryptophan 0.6377 0.8200 1.0758 1.0853 1.5352 1.4917 1.4779 0.5102 1.2082 1.1663 1.2165 0.8542 1.2678 0.4570 1.1362 1.1621 1.2145 1.6845 1.4173 0.8086 1.4050 0.9675 1.2137 1.5266 0.8746 1.2755 0.8388 1.4401 1.3892 1.5835 0.9493 0.8148 0.4813 0.6006 1.1036 1.0581 0.9014 0.8901 1.0998 1.0594 1.2389 1.3352 1.0000 0.8260 0.9880 1.1611 0.9580 0.9754 1.1372 1.1931 1.1458 1.0745 0.9404 0.9954 1.1575 0.8714 0.9008 1.4689 0.8284 0.8725 1.2154 1.1839 0.7243 0.9831 0.6374 0.9015 0.9476 0.9608 0.8282 0.8264 0.8241 0.8710 1.0827 0.9027 0.8284 chenodeoxycholate 1.5456 0.2836 2.2159 0.7786 0.5049 1.4834 0.8610 1.1616 1.0000 1.2832 0.5211 1.5320 1.1107 1.1533 0.9160 0.7555 0.6771 1.6777 1.4882 0.5482 2.1135 0.9272 0.5778 0.8867 1.0146 1.0354 0.3976 1.4595 0.9135 0.5325 1.1432 3.7580 0.7469 1.5237 0.5789 1.9781 0.6860 0.9300 1.1794 0.4762 2.3010 1.0237 0.8691 0.3122 0.8316 0.5589 1.4404 0.6612 1.6761 1.3632 0.6963 1.1294 0.8268 0.9192 1.4043 0.5125 0.9064 2.1271 1.8415 1.0993 0.5849 0.6599 0.5590 2.4072 1.6233 1.6484 0.9176 1.1578 1.1153 1.0301 0.7422 0.3616 0.7198 6.2514 3.5107 chiro-inositol 0.1195 0.4838 0.1195 5.1023 0.1195 0.1195 0.1195 0.1195 0.1195 3.1428 0.1195 0.5414 1.7285 0.1195 0.9534 0.6294 6.1956 0.1195 0.6372 1.0000 0.1195 0.1195 0.1195 0.6875 0.1195 0.1195 0.1195 0.1195 1.8070 0.1195 0.1195 0.1195 0.1195 0.3593 2.5542 0.1195 0.1195 0.1195 6.5712 0.1195 0.1195 1.6843 0.1195 0.9180 0.1195 0.1195 0.1195 0.1195 0.1195 0.9187 0.1195 0.1195 3.0805 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 0.1195 3.9654 0.1195 0.1195 cholate 2.0464 0.5826 2.0694 0.5801 0.1721 0.9764 0.8994 0.8203 0.3589 2.9301 0.5357 0.9702 1.0567 2.3527 0.1721 0.9088 0.4415 9.9191 1.0138 0.1721 0.6749 0.7502 2.0926 0.4644 1.0000 1.6442 0.4238 0.4352 16.4956 1.2907 1.0715 0.9571 1.3731 0.4541 0.5436 0.1721 0.7119 2.4048 0.6161 0.5787 5.4277 1.7149 0.2207 0.5415 1.2485 0.1721 0.7157 7.0097 4.2357 0.6827 0.4303 0.7208 7.5930 1.2728 1.9010 0.5661 2.8572 1.9490 1.4310 0.4464 0.1936 2.3679 1.6779 2.1061 33.7716 3.2252 2.8184 5.1076 5.7576 0.5194 0.9550 0.6825 0.6713 103.6087 21.7050 cholesterol 1.0452 0.8394 0.8868 1.1879 1.2137 1.7474 0.7886 1.6465 0.9821 1.3834 1.1571 0.8312 1.0724 0.7841 1.3123 0.8797 1.2310 1.1137 0.8204 0.9588 0.9397 0.9553 1.0000 1.5643 0.9018 0.8079 1.5144 1.4332 1.4580 0.9941 1.7649 1.5801 0.9065 0.6913 1.0993 1.0035 1.4334 0.8284 0.8945 1.2661 1.0179 1.1343 0.8213 0.7739 0.8169 0.8627 1.1489 0.8471 0.8772 1.0898 1.0429 1.2322 0.6839 1.1681 0.8760 0.8544 0.8475 1.1431 0.9793 0.7101 1.0510 0.9625 0.8329 1.1937 1.0696 1.1178 1.0641 0.7291 1.1468 0.8228 2.1838 0.9209 0.7744 1.1319 0.9598 choline 1.0488 0.8997 0.8667 1.0663 1.1792 1.2531 1.1330 0.8676 0.7403 1.1068 0.8750 1.0607 1.3394 1.0071 1.1796 1.2242 1.1687 0.9884 1.1141 1.0885 1.0906 1.1417 1.3570 1.0429 0.8879 0.9808 0.9126 0.9012 1.3374 1.1377 1.1427 1.3066 1.0809 0.7700 1.1073 0.7800 1.0775 0.9540 0.8917 0.8886 1.2283 0.9885 1.0194 0.7509 0.7970 0.9636 0.7064 0.8522 1.1612 1.1635 1.0892 1.2262 0.8966 0.9864 1.0313 0.8973 1.0018 0.9176 1.0758 0.7538 0.8796 0.8224 0.9099 0.8637 1.0874 1.1091 0.9509 1.0837 0.9189 0.7591 0.8305 1.0000 0.9628 0.8968 0.9532 cinnamoylglycine 0.1893 0.9004 0.0352 8.6901 1.1263 1.5882 0.8650 0.3939 2.3780 0.1477 0.3050 1.6933 0.2686 0.5171 0.5459 1.6277 1.9570 9.5805 1.4462 5.2334 0.6436 0.0492 0.0298 1.5480 0.0298 0.0677 1.3267 0.0430 0.9354 2.5396 6.2708 0.2846 0.7709 3.9402 7.0526 0.4008 1.8726 0.0298 6.9103 1.0488 2.2186 0.9312 3.5533 0.6515 0.1331 0.8001 0.3671 0.6959 0.3241 0.9719 1.7096 1.0369 2.9499 2.2940 1.0281 0.1875 1.2000 0.2670 1.1714 0.3551 0.4287 2.3042 1.2984 0.0298 0.6234 0.0791 1.7424 1.1613 3.0035 0.5429 0.5800 1.3348 1.0406 0.1883 6.3778 cis-4-decenoylcarnitine (C10:1) 0.7913 1.2077 1.0257 0.5209 0.9839 0.8633 1.5091 0.5738 0.8190 1.2894 1.0088 1.5270 1.1080 1.9257 1.3809 1.0954 1.0610 1.7015 1.7434 1.3546 1.4596 0.6328 1.5763 0.8818 1.1665 0.8251 1.2013 1.4496 0.9388 1.0149 0.6978 1.2600 0.8458 1.2635 0.4344 0.8749 1.0700 1.3406 0.6765 1.1274 0.6756 0.8433 0.5031 0.7492 1.1548 1.2050 1.3294 0.7524 0.9272 0.6349 0.7294 0.9781 0.5626 0.6715 0.6621 1.2951 0.6358 0.7271 1.0784 0.7513 1.0589 0.5622 0.4389 0.5270 0.8089 1.0000 1.1218 1.2759 1.4124 1.0797 0.5447 0.8839 0.9108 1.5797 1.0860 citrate 0.8826 1.1812 0.9058 0.9697 1.0069 0.8299 0.9204 0.9101 0.9032 0.8552 0.8269 1.0756 0.8427 1.0587 0.9908 1.1802 1.0853 1.0838 1.0896 1.0187 0.9640 0.7016 1.0977 0.7822 1.0340 0.8131 1.3040 1.0614 0.9973 1.2249 1.1525 1.1366 0.7841 1.0292 1.0869 1.0126 1.0815 0.9248 1.2183 1.0675 1.0223 0.8683 0.9669 1.0494 0.9788 0.8943 1.1905 0.9127 1.0000 0.8747 1.0085 0.7680 1.0706 0.9613 0.8301 1.0237 1.0366 0.9826 0.8033 1.0059 1.3009 1.2149 0.8637 0.9406 0.9637 0.8373 0.8776 1.0107 0.9768 1.3503 0.8708 1.1386 1.0188 1.0935 0.8770 citrulline 0.7619 0.9210 1.1334 0.9481 1.0859 1.1591 1.0822 0.8093 0.7604 1.0262 1.1062 1.0070 1.0113 0.9505 1.0031 1.0645 1.0831 1.3108 1.0000 0.9074 1.1928 0.9830 1.1050 1.0419 1.0020 1.0148 1.0535 1.0006 0.8686 1.1982 1.1190 1.0929 0.8319 0.8605 1.0175 0.8535 0.8053 0.9641 0.9365 0.8588 1.2210 1.0493 1.1476 0.6035 0.7649 1.0325 0.7689 0.8779 1.0889 0.9834 1.1650 0.9286 1.4735 0.9716 1.0292 0.7608 0.9442 1.1475 0.9184 0.7753 1.0149 1.0244 0.8672 0.9642 0.9219 1.0102 0.8760 1.0820 0.9785 0.9125 0.7982 0.9531 0.8987 1.0111 0.9159 corticosterone 2.4789 2.2336 1.5269 0.8647 0.6327 1.4565 0.1302 0.4404 0.1302 0.1302 0.1302 1.1537 0.3897 1.0000 1.2929 0.4973 1.8145 0.9775 0.9728 0.1302 1.6870 0.1302 0.1302 0.4673 0.1302 0.8260 0.1302 0.3877 0.1302 0.2884 0.1302 0.7775 1.2180 1.1291 0.6112 0.1302 5.1300 0.4579 1.2922 1.4595 5.5633 0.5815 0.8380 0.1302 0.1302 2.6167 0.9438 0.4215 1.1700 0.3212 5.2002 1.2674 1.4849 0.3792 1.6754 0.4084 0.9217 0.9735 1.0123 1.8309 0.3726 0.7728 1.4994 1.0829 11.0402 0.1302 0.9506 0.6411 1.7323 2.6366 0.4588 1.3332 0.1302 1.8217 0.1302 cortisol 2.8431 2.9289 1.2829 1.9466 0.8791 1.7024 1.2095 0.7015 0.6083 0.5796 0.6460 1.3530 1.1181 0.9275 0.8757 1.0000 1.5155 0.7320 0.8882 0.7077 1.2065 0.6674 0.4687 0.6953 0.5085 1.2785 0.4302 0.7136 0.4920 0.5801 0.7407 1.4037 1.0881 0.8191 1.3036 0.7035 3.2222 0.8343 1.1542 1.4281 2.5537 1.0076 0.8469 0.5719 0.9670 1.8249 1.2105 0.6378 1.4573 1.2479 3.0396 0.9731 1.8423 1.2732 1.3646 0.8694 1.0671 1.5410 1.0341 2.1058 0.6315 0.8204 2.6090 0.9687 3.2258 0.7079 0.9546 0.9981 1.3957 2.2345 0.7778 1.1945 0.3582 1.8072 0.9788 cortisone 1.4614 1.2865 1.3996 1.2502 0.7891 1.2456 0.9628 0.8534 0.6935 0.5347 0.8735 1.1701 1.0000 1.2033 0.8105 0.9948 0.9447 0.6417 1.0772 0.6553 1.0150 0.5602 0.4859 0.8381 0.6410 0.9126 0.6532 0.8118 0.7094 0.7807 0.9768 1.0315 1.0603 0.9666 1.0393 0.6947 1.3826 0.9916 1.1380 1.0784 1.5187 1.1311 0.9437 1.0308 1.0042 0.8355 1.1806 1.0110 1.2360 1.1792 1.4733 0.9294 1.1537 1.1538 1.1761 0.9729 0.8664 1.1746 1.3781 0.8883 0.7840 1.1539 1.0863 0.6587 0.9709 0.8115 1.3150 0.9158 1.1770 1.5966 1.0026 1.1439 0.6488 1.1736 0.9449 cotinine 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.2588 0.1820 0.1999 0.1820 0.1820 0.1820 0.1820 24.4910 0.1820 0.1820 0.1820 0.1820 0.1820 63.2136 0.1820 0.5179 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 1.3415 0.1820 0.1820 0.1820 1.0177 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 21.4451 0.1820 0.1820 0.1820 0.2918 32.0371 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.4615 0.1820 1.0000 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 0.1820 240.2057 0.1820 0.1820 0.1820 0.1820 0.2288 0.1820 0.1820 cotinine N-oxide 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 creatine 1.4758 0.7035 0.9132 1.0736 0.8786 0.9852 0.6969 1.6152 1.3920 1.2029 0.8002 0.8722 0.6597 0.9927 1.0465 0.8563 0.9977 0.7187 0.9424 1.2437 0.9577 1.4195 0.7396 0.9198 0.9078 0.8024 0.9676 0.8480 0.9199 0.9843 1.3014 1.3960 0.8125 1.2644 0.9693 1.0870 0.6155 1.0246 0.6171 1.7310 1.1827 0.9650 0.7678 0.9137 1.3379 0.8303 1.1009 1.0560 0.7843 1.2948 1.6397 1.3977 0.5026 1.1738 1.0835 1.2428 0.9325 1.1345 1.3184 1.2702 0.5182 1.4806 1.4065 1.8606 1.0069 0.9426 1.4856 1.1916 1.0576 1.0000 1.2282 0.8771 1.1570 0.8087 1.7067 creatinine 0.8504 1.0586 1.1673 0.9141 1.2455 1.1844 1.2060 0.9120 0.9754 0.9332 0.9688 1.2691 0.9881 0.9025 1.1747 1.2926 1.1206 1.0305 1.2849 1.0445 1.1033 0.7867 1.1791 1.0708 0.9441 0.9355 0.9346 1.1346 1.2972 0.9439 1.0363 1.1666 0.9894 0.9207 1.0000 0.8980 1.0293 1.0561 0.9208 0.9627 1.2689 0.9998 0.8534 0.9325 1.0082 1.0013 0.9646 1.0823 0.9871 0.9939 1.0210 0.9369 1.2725 0.9545 1.1366 0.8602 1.1550 1.0130 1.1814 0.8977 1.1315 0.9753 0.9805 0.9598 0.9814 1.0824 0.9486 1.1577 1.1479 0.9646 0.8716 1.0309 1.1511 0.9000 0.8941 cys-gly, oxidized 1.1424 1.2380 1.2532 1.0759 1.2439 1.5826 1.5164 0.5780 0.8062 0.6475 1.0363 2.9378 0.6445 1.1072 1.2097 1.2387 2.6005 0.9337 2.3767 0.9283 1.8645 0.3978 1.0000 0.8599 0.5285 0.8707 0.8557 2.4201 0.9145 1.3515 1.3302 1.6940 1.1564 0.5634 0.6807 0.5550 1.5537 1.1924 0.8898 1.6378 1.1505 0.5659 0.5060 0.6762 1.2622 0.9298 2.4906 1.4300 1.1663 0.4363 1.2705 0.5266 1.2464 1.2743 0.7204 0.7986 0.8615 0.9181 1.2214 0.4776 1.1023 1.4640 0.9853 0.4612 0.8197 1.0060 0.6666 1.1434 0.8263 0.9219 0.3859 0.5971 1.5664 0.8710 0.9413 cystathionine 0.5859 1.6575 1.1412 0.7817 0.7352 2.8061 1.5584 1.1901 0.5149 1.0216 1.2113 1.0856 0.9962 1.9621 0.9126 1.1827 0.5673 2.5271 1.1622 0.7606 0.3797 0.8065 1.8041 3.2948 0.8218 0.7449 1.2595 0.7860 1.7036 0.2136 0.4437 0.9534 0.5489 1.2170 0.3392 1.4550 0.7679 0.8680 0.6144 0.8438 1.6791 1.1728 4.3171 1.0038 0.6603 1.1423 0.3801 1.6044 1.6229 1.5560 0.2136 1.3044 26.1506 1.1383 0.7566 0.6532 0.7666 1.2758 2.1099 0.4414 0.6485 4.0748 1.3059 1.4538 0.7797 0.9742 1.5597 0.9088 0.9357 0.6144 0.4628 0.6570 4.4963 0.5971 1.2832 cysteine 0.8254 0.9380 0.9574 0.9431 1.2044 0.8750 1.0932 0.8864 0.7951 0.6951 0.7655 1.1507 0.6485 0.8952 1.1476 1.1232 1.1427 1.0797 1.2232 1.2305 1.0288 0.7968 0.9363 1.0632 0.9403 0.9805 0.6950 1.5009 1.2082 0.9176 0.8218 1.1723 0.9384 1.1613 1.1941 1.2002 0.9842 0.9065 1.4777 0.9576 1.2991 1.0000 0.8678 0.7894 0.9480 1.0785 0.8130 0.8269 1.7008 1.1289 1.4272 1.2321 1.2771 1.0343 0.9147 0.7573 0.8686 0.8537 1.3673 0.6829 1.4378 1.3733 0.9043 0.8270 0.8491 1.0407 1.1214 1.0570 1.2841 0.8514 1.2669 1.0927 1.2720 0.9089 1.1377 cysteine s-sulfate 0.4284 0.9233 0.6588 0.7128 0.6975 0.7111 0.7815 0.4952 0.8422 0.9281 1.7843 0.9267 1.5346 1.5960 1.6260 1.0429 1.2295 1.0000 1.0307 1.1442 1.8541 1.2279 2.2522 0.5785 0.7718 1.3878 0.8388 3.1969 2.0572 1.1112 0.7488 2.4274 2.3980 1.2371 1.5163 2.7366 1.1318 1.0664 1.0055 0.8101 0.7344 1.0586 0.9168 1.2663 1.3258 0.5611 1.2053 1.0767 1.0403 1.7282 2.1589 1.0296 0.9447 1.2902 1.1503 1.2624 0.9044 0.8100 1.0718 0.5555 0.5420 0.6072 0.6307 0.5433 0.7604 0.8886 0.6704 0.8297 0.5608 0.4328 0.6046 0.4682 0.6030 0.6361 1.0456 cysteine-glutathione disulfide 2.0691 1.6534 1.4434 2.4815 1.9486 1.2141 1.7972 0.7059 0.7150 0.5154 0.2142 1.4031 1.9771 1.3392 0.4225 2.5945 1.3397 1.1813 3.3446 1.6433 1.9241 0.7896 0.3128 1.1171 0.8039 0.8432 3.3716 5.1390 0.1353 3.8477 0.6266 0.4348 0.7962 1.3759 0.7089 0.9196 2.2029 0.9076 1.7481 0.0713 1.5462 0.1840 0.3020 0.1869 0.3054 0.8485 0.5774 0.5999 0.8616 0.0747 3.5520 0.8567 1.0078 1.1159 0.5426 1.7009 0.9693 2.2236 0.8919 0.5717 0.2266 3.6833 1.3269 0.7098 0.6274 1.0000 1.1557 1.3829 0.5194 1.5086 0.1998 0.7799 1.3899 1.6901 1.5267 cysteinylglycine 0.3736 0.3736 0.6427 0.3736 0.4964 0.7147 0.8818 0.3763 0.3736 0.3736 0.5079 1.3256 0.3736 0.3736 0.8494 0.4170 0.8625 0.3994 0.3736 1.6780 2.2782 0.3736 1.0772 0.8591 0.3736 0.3736 0.3736 4.4587 1.8954 1.1178 0.8619 2.4344 2.4467 1.1555 0.3736 1.2895 1.5104 1.0567 1.3927 1.1353 0.8529 0.3990 0.3736 0.3736 1.3642 0.5944 1.0461 0.3736 1.6140 0.3736 1.1034 0.3736 0.6403 1.5117 0.3736 0.3736 0.3736 0.3736 1.8890 0.3736 1.1067 0.8889 0.9868 0.3736 0.3736 1.0000 0.4174 0.6268 0.3736 0.3736 0.3736 0.4663 1.3270 0.6596 0.3736 cystine 1.1203 0.9367 1.5741 0.9722 0.8831 1.2401 0.9891 1.4146 0.8609 1.0000 1.4324 0.9032 1.4990 1.0100 1.3484 1.1453 0.7673 1.0418 0.9895 1.4156 0.6777 1.9652 1.4433 1.7716 1.1629 1.0398 0.5103 1.1496 1.0677 1.3774 1.1947 1.1375 0.9709 1.3253 0.7379 0.8842 0.7896 0.8489 0.8797 0.8758 0.7224 1.3986 1.0915 0.9554 0.7516 0.7034 0.8295 1.2262 0.8923 1.5006 0.7949 1.0424 0.7233 1.6217 1.4792 0.7387 0.6891 0.7974 1.2421 0.7142 1.0808 0.7878 0.9829 1.5573 1.0068 0.9231 0.8157 1.0221 0.5408 1.1506 0.7118 1.3522 0.8084 1.0880 0.6426 cytidine 0.9008 2.4218 1.4836 2.3942 1.8091 1.6016 2.1910 0.4201 0.7341 0.7683 1.1459 0.6591 1.6998 0.3609 0.8580 0.5189 1.5875 1.3405 0.3609 1.2359 1.0404 0.9287 1.4171 0.8143 0.5228 2.2697 1.1245 1.5507 0.5762 2.8104 0.5807 0.4662 0.8949 0.9745 1.1408 0.5811 2.6557 0.6671 1.5812 0.9582 0.5863 0.5959 1.0448 0.6660 0.9682 22.0790 0.5589 0.3609 0.9495 0.3609 1.4596 1.1834 0.6041 1.5369 1.5965 1.0218 0.9330 0.9241 0.9286 0.7375 0.3609 1.8457 1.0000 0.6855 0.3609 0.6024 0.9338 0.9222 0.3609 1.0569 1.5586 1.0450 1.3505 1.9215 1.8616 cytosine 0.4199 0.6025 0.2962 1.1537 0.2962 0.3631 1.1796 0.2962 1.2516 0.4774 0.2962 0.2962 1.0090 0.2962 0.2962 0.2962 0.2962 0.8631 0.2962 1.0000 1.7019 0.6459 0.2962 2.1685 1.6166 0.2962 0.2962 1.3118 0.2962 0.5790 0.2962 1.0679 5.5475 0.2962 0.2962 0.2962 0.7951 0.4719 1.2255 0.6507 0.8646 3.1230 1.1148 1.0701 0.2962 15.0761 0.2962 0.2962 2.8810 0.2962 0.2962 1.7564 0.9339 0.2962 0.2962 0.8046 0.2962 0.2962 0.2962 0.2962 0.2962 0.7502 1.8824 1.1982 0.9363 0.7357 0.4635 0.2962 0.2962 0.2962 0.2962 0.5246 0.2962 0.6879 1.1154 daidzein sulfate (1) 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 1.0000 0.6545 1.8071 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.7059 2.3504 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 0.6545 daidzein sulfate (2) 0.2525 0.6460 0.2525 3.3616 0.2525 0.2525 0.2525 1.2113 0.2525 4.2734 0.2525 0.4305 0.2525 0.2525 1.2653 0.2525 0.2525 0.5509 0.2525 0.2525 0.2525 0.2525 0.2525 1.7538 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 1.7000 1.5722 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.7466 0.7887 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.2525 0.3403 1.2585 6.2264 0.2525 0.4165 0.2525 0.2525 0.2525 0.2525 0.2525 0.6075 decanoylcarnitine (C10) 1.0000 2.1682 1.2566 0.2757 1.0947 0.7098 0.8516 0.7688 0.8715 0.8701 0.9264 2.0082 1.0336 4.1577 1.7515 1.3600 1.4537 1.1609 1.6895 1.5698 0.9437 0.6009 1.5037 0.9064 0.9188 0.9108 2.2203 1.1553 1.0633 0.9939 1.1018 0.9049 0.7057 1.3940 0.6710 0.6574 1.8443 1.2199 0.7713 1.7709 1.1803 0.8285 0.6943 1.0380 1.2952 1.3855 2.3468 0.7898 0.8246 0.3809 0.8074 1.1856 0.7099 0.6797 0.8576 1.8469 1.0341 0.9650 0.4555 0.7549 1.7785 0.5155 0.6281 0.4625 0.5061 0.8425 1.3840 1.7811 3.3178 2.2371 0.3429 1.2998 1.7493 3.0996 0.9151 dehydroisoandrosterone sulfate (DHEA-S) 0.9410 0.6420 2.3846 1.2224 1.4931 1.8570 1.6512 0.5395 1.0054 1.1867 1.2271 1.2498 1.7886 0.8565 1.2661 1.0312 0.9339 0.3437 0.9626 0.4629 1.4123 0.5041 0.8409 0.6697 1.0000 1.9648 1.2272 0.8145 1.0903 0.5455 0.5801 1.3160 0.7462 1.5736 1.1803 0.8630 0.9961 1.0224 1.3701 1.0712 1.3189 0.7848 0.6921 1.0469 0.5932 1.1750 0.8833 1.0886 1.8133 1.2664 0.8631 0.8036 1.1905 0.8115 1.4095 0.7087 1.3928 0.9938 1.5331 0.6692 0.5846 0.7439 0.8182 0.2546 0.4529 1.1198 1.4568 0.9365 1.3303 0.9341 1.0354 0.6514 0.8246 0.9242 1.0489 delta-tocopherol 1.1420 0.6745 0.6729 1.8687 0.3099 0.3099 1.3754 0.3099 0.3099 1.8407 1.2984 0.3902 0.3099 0.9019 1.6959 1.2906 0.3099 0.3099 0.3099 0.6071 0.6154 1.1991 1.6964 0.8951 0.7884 0.8452 0.3099 0.3099 0.3099 0.9225 0.4384 0.6741 1.3676 0.9395 0.3099 1.1374 0.3099 1.2683 0.3099 0.3099 0.3099 0.3099 0.3099 0.3099 1.7156 0.8916 0.3099 1.4009 0.3185 1.7930 0.3099 0.8973 0.4879 1.3104 0.3099 1.6547 0.3099 0.6537 2.4179 0.3099 2.2982 0.3099 0.3099 1.0605 2.8365 0.3099 0.6467 0.3099 0.3099 0.3099 0.3099 0.8173 0.3099 0.4125 2.0105 deoxycarnitine 0.7718 0.8137 1.2101 0.6655 1.4615 1.0202 1.5810 1.0000 1.0085 0.9266 0.9933 1.0710 0.9510 0.9246 1.1160 1.0758 1.0182 1.1824 1.4572 1.2127 0.9693 0.7545 1.5283 0.9298 1.1597 0.8690 0.7786 1.2094 1.0761 0.8287 1.0851 1.2187 1.0420 1.0053 0.8450 1.3155 0.8832 1.1954 0.7126 0.9880 0.9650 1.3600 0.6511 0.8620 1.0025 0.7926 0.7807 1.1043 1.3275 0.8775 0.7577 0.9764 1.0447 0.5872 0.9148 0.9032 1.5196 0.8315 1.2443 0.6275 0.6910 1.0981 0.7162 1.0325 0.7703 1.1053 1.4161 1.5180 1.2737 0.9609 0.6509 0.9137 1.1930 0.6471 1.0538 deoxycholate 1.9569 1.2127 0.9785 1.1343 0.7868 1.8092 1.1657 0.7573 0.7132 1.2565 1.3915 1.0000 1.9208 0.9421 1.6264 1.8159 0.3521 3.5091 1.7459 1.6900 1.3768 0.9869 0.7053 1.1887 0.4036 0.8562 0.3831 0.5375 0.4026 0.7578 1.0508 4.8721 1.2753 0.8164 0.9081 1.6782 0.6272 0.4297 0.9037 0.4995 1.7014 1.3616 0.8523 0.8996 0.5692 1.8139 0.6485 1.1312 1.5121 1.5905 0.7360 1.0558 1.2694 1.5958 1.1138 0.6090 1.7282 1.1104 1.4001 0.8412 0.4071 0.3620 0.6493 0.4285 0.5371 1.4796 1.8057 0.4906 1.1211 0.8255 1.2329 0.7994 0.8883 3.2363 0.7774 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 2.8370 2.5785 1.8250 3.1772 1.5058 2.5250 0.3734 0.2429 0.9288 0.7743 4.0288 1.4104 1.0961 0.7860 4.7858 2.2362 1.5853 0.2972 0.9813 0.5028 0.6937 3.4495 1.6975 3.0247 0.8380 2.0930 0.3702 1.1640 1.8621 0.4150 0.1592 2.1804 1.9933 1.0365 1.7688 1.0000 1.0515 0.3812 0.7746 0.8978 0.6452 1.8727 0.6525 1.1220 0.5764 0.3695 1.5615 0.5282 0.7359 5.1138 2.1531 0.2688 0.2573 9.7556 1.8538 0.4679 0.3423 0.5615 0.8677 0.6242 1.0123 0.1592 0.7377 1.4211 1.3891 0.5706 0.8696 1.2187 0.1592 0.8732 0.4714 1.1363 0.9374 1.7947 0.9156 dihomo-linoleate (20:2n6) 1.5506 1.0000 1.1131 1.1999 0.7878 1.2262 0.5190 1.2489 1.7437 0.9496 1.0918 0.9358 2.1168 1.1245 1.2231 1.2847 1.0352 1.3571 0.7102 1.0805 1.6491 0.8107 1.2838 0.8829 0.8742 1.4423 0.9705 0.9260 0.8593 0.9247 1.5979 1.1418 0.8942 1.3538 1.4587 0.7246 1.1005 0.6453 1.4839 1.2980 0.6698 0.8150 1.4986 1.2823 1.5443 0.6176 1.7759 0.5880 0.9969 0.9548 0.9419 1.1881 0.7990 2.2058 1.5111 0.6930 0.5021 1.0835 0.5483 2.1128 2.5289 0.5214 0.6938 0.8102 0.7052 0.5161 0.8020 1.3305 0.8644 1.2088 0.8195 0.6208 0.6451 1.3193 0.7739 dihomo-linolenate (20:3n3 or n6) 1.0222 1.0566 1.0603 1.1657 0.7116 1.5155 0.5546 1.0480 1.1823 1.0333 1.3802 0.9552 1.7277 0.8926 1.1609 1.1197 1.1833 0.9018 0.7488 1.0177 1.3156 0.7365 1.2204 1.0370 0.8004 1.1920 0.6004 0.7835 0.7670 0.8132 1.1648 0.9724 0.8441 0.9148 1.3164 0.5580 1.2942 0.7612 1.1570 1.0261 0.5619 0.7795 1.2893 1.4287 1.3319 0.6527 1.2648 0.6528 0.7797 1.2307 0.9679 1.1844 0.7149 1.7402 1.0820 0.6943 0.5570 1.0000 0.5091 1.2325 1.5890 0.5320 0.7904 1.1538 0.6497 0.5262 0.6326 1.1422 0.8143 1.2256 0.9275 0.7062 0.8764 1.4445 0.7408 dihomo-linolenoylcarnitine (20:3n3 or 6)* 0.4175 0.8593 1.4198 0.7422 1.4092 1.4704 2.2082 0.5687 0.6146 0.9731 2.0587 1.0081 0.8414 1.0569 1.2051 1.2460 0.8685 1.0008 0.9373 0.7726 3.1025 0.8638 2.5403 1.0121 0.9580 1.0088 0.7612 1.6563 1.0000 1.4566 0.7296 1.7044 1.3662 0.8929 1.8097 0.9965 0.7950 1.7422 1.0119 0.4475 0.7501 2.0594 0.7715 1.0252 0.7643 1.4554 0.3873 0.5256 1.1503 1.4672 1.0807 0.8243 0.8586 0.8860 1.1616 0.7429 1.0959 1.2109 1.0402 0.7771 0.8298 0.8537 0.7590 0.6220 0.5798 1.5763 1.3445 1.4488 0.8621 0.5303 0.7125 0.6805 1.8420 1.1867 1.0969 dihomo-linolenoyl-choline 0.4823 0.2893 0.6028 1.5456 1.3633 3.3121 1.0763 0.7373 0.7016 2.2165 1.9353 1.2170 2.1352 0.4968 0.4636 0.7326 2.5556 1.4970 3.2694 1.2744 2.0949 1.0000 2.1664 1.8633 1.0065 1.2148 0.3832 0.1568 0.5538 1.3157 0.6973 1.4831 1.2399 0.1568 0.9361 0.2347 4.7999 0.4383 1.4275 2.2202 0.4561 1.8704 1.3810 2.0800 0.4279 0.5694 0.2057 0.8720 0.6522 3.1172 0.1568 1.2879 0.6214 1.6285 0.5648 0.9621 1.1221 0.9745 0.1568 0.3757 0.1568 0.2744 1.5967 0.7970 1.5034 0.7708 0.1952 2.5376 0.1969 0.3067 0.9245 1.0711 0.5068 2.3560 0.2484 dihomo-linoleoylcarnitine (C20:2)* 0.6538 0.8913 1.5305 0.9345 1.7979 1.0506 1.6201 0.7051 0.8609 0.9842 1.4289 0.9718 0.7290 1.6058 1.5554 1.1469 0.9478 1.6385 1.2545 0.8249 2.5626 0.8594 2.0669 0.8653 1.0620 1.0712 1.1517 1.6543 0.7282 1.3766 1.0325 1.7065 1.0276 1.0837 1.2586 1.0951 0.8779 1.2201 1.2107 0.6536 0.7794 1.8583 0.9653 0.9557 0.8465 1.3582 0.5474 0.4165 1.2198 1.0707 0.8994 0.5731 0.9343 0.9888 1.3242 0.9379 1.0000 1.4519 0.9307 1.1721 1.4147 0.8012 0.5507 0.4900 0.6008 1.1831 1.3644 1.1345 0.8239 0.6587 0.6400 0.6471 0.9546 1.2247 0.9630 dihydroferulic acid 1.5197 0.3802 0.6989 1.8096 1.2675 0.6316 0.3802 0.7657 0.3802 1.8181 1.0268 1.1400 1.5442 0.3802 0.3802 1.4126 1.3544 7.7603 0.3802 0.3802 0.3802 0.8053 0.9580 0.3802 1.3582 0.3802 0.6147 5.5155 0.5545 0.5489 0.7730 0.3911 1.3204 1.0000 0.4995 0.5959 0.8479 0.8209 1.2094 0.3987 0.7765 0.3802 0.6011 0.3802 0.4094 83.1813 0.3802 0.3802 3.1363 1.0029 0.3802 0.7421 3.4074 1.3019 0.5657 0.3802 0.6255 0.5096 4.6355 0.3802 0.5528 1.0730 2.1326 8.3528 1.6685 1.1024 3.2484 1.9392 0.4569 0.3802 0.3802 0.5882 0.4854 0.5395 1.4175 dihydroorotate 0.8653 1.3322 1.8311 1.3188 2.5330 1.1641 1.6469 0.8250 0.7595 0.5499 1.0868 2.0197 1.0301 0.7004 1.3373 0.9676 1.1587 0.6532 1.9184 0.4840 4.2675 0.4495 1.1255 1.0000 1.2127 1.0233 0.4109 1.2225 1.0969 0.8997 0.6325 1.1135 1.0963 0.9993 0.9632 0.8000 0.6365 1.1534 0.5720 0.7728 0.7638 0.9822 0.6289 0.4572 0.8779 0.9741 0.6296 1.6671 1.1021 1.2142 0.6361 0.9302 1.1846 0.7346 1.3693 1.0558 1.1432 1.3070 1.6995 1.7544 1.1218 1.0231 0.7789 0.8948 0.5660 3.0128 0.9126 0.9601 0.7538 0.6797 0.1519 0.7275 1.4336 1.0528 1.0244 dimethyl sulfone 0.4090 0.9177 0.6556 0.9558 0.7039 1.0060 1.1116 0.9264 1.2169 0.6107 0.5908 1.1675 1.2275 1.7176 0.2735 0.7500 0.6179 1.8771 1.4711 0.9844 1.0594 0.9464 0.7354 1.3289 0.4388 0.4740 1.2129 0.5122 0.2735 0.9376 0.6066 0.6845 0.9258 1.3195 1.2383 0.8988 1.8016 1.2416 1.3332 0.6516 2.0794 1.1901 1.6671 1.7778 0.7141 0.6229 0.2735 0.5601 2.4213 0.2735 1.7770 1.0122 3.5063 0.5215 1.0703 1.0243 4.9880 0.4838 1.1723 0.8408 0.3554 1.2686 1.5285 0.7458 1.0645 0.9940 0.8638 0.4005 2.3374 1.4879 1.5526 0.8461 0.7074 1.2707 1.6031 dimethylarginine (SDMA + ADMA) 0.7945 1.0189 1.0356 0.8966 1.2902 1.0690 1.1348 0.9812 0.9897 0.9322 0.9991 1.2099 0.9248 0.9939 1.0135 1.1424 1.0967 1.1170 1.1085 1.2176 1.2402 0.9341 1.0551 1.0883 1.0474 1.0046 0.8095 1.2387 1.0218 1.0169 1.0000 1.1274 0.7647 0.9114 0.9821 0.9174 1.1579 0.9031 0.9102 0.9042 1.2000 1.0265 0.9643 0.8633 0.7137 1.1579 0.7613 0.8825 0.9909 1.0092 1.0175 1.0634 0.9398 0.9758 1.0243 0.7883 0.8930 0.9916 1.0925 0.7386 1.0182 1.0578 0.9458 0.8694 0.8438 1.0960 0.9902 1.0348 0.9999 1.0084 0.8514 1.0345 1.1443 0.9057 0.9491 dimethylglycine 0.9797 0.8664 1.2067 1.0641 0.7394 1.2554 2.0202 0.9075 0.8202 0.9259 1.3668 1.2620 1.1863 1.0542 0.8136 1.1827 1.6465 0.8144 0.8970 0.7367 1.0085 0.7008 0.8881 1.0700 1.5100 1.2077 0.7519 1.0000 1.3308 1.0361 0.6651 1.0534 1.0381 0.8306 0.7661 0.6338 1.3659 0.9764 0.7920 1.0203 1.0038 1.0476 1.2780 0.9216 0.8520 1.5396 1.4625 1.0364 1.0834 1.2532 0.6662 0.8756 0.6087 0.8685 1.1353 0.8802 0.8291 1.0128 1.4354 1.3124 1.1787 0.9979 0.6568 0.9666 0.9781 1.0436 1.4889 0.7322 0.8700 0.8768 0.8050 1.2841 0.9557 1.0016 0.8849 docosadienoate (22:2n6) 1.4080 1.0593 1.3349 1.1774 0.7887 0.9586 0.5559 1.0388 1.6462 1.0272 1.0450 0.8269 1.6108 0.9818 1.3011 1.0629 1.0000 1.3338 0.8645 0.9633 1.7490 0.7721 1.2202 0.8485 0.6419 1.0964 0.8067 0.8861 0.8320 0.7696 1.2025 1.3620 1.0054 1.2001 1.3303 0.6679 0.9359 0.8238 1.0234 1.2588 0.8236 0.8957 1.2621 0.8648 1.1644 0.7119 1.4089 0.5070 1.0450 0.8655 0.9005 1.0073 0.5762 1.6823 1.4206 0.6620 0.4314 1.0221 0.6270 1.5734 2.2915 0.4988 0.7367 0.7141 0.6750 0.5386 1.2687 1.1527 1.0670 1.2294 0.7690 0.3695 0.6473 1.0425 0.6882 docosadioate 1.3961 0.4330 1.2593 1.1187 1.1496 0.7449 1.6249 0.6674 1.1243 0.7157 1.3748 0.4171 1.1633 0.3665 0.9464 1.2124 0.7219 1.7496 1.2632 2.1953 1.9127 0.4511 1.6518 1.3239 0.3862 0.9246 0.6406 1.5413 1.1066 1.3290 0.8631 1.1875 0.5003 0.8575 0.7004 1.2482 0.5455 1.1169 0.9085 0.5551 0.8122 0.8879 0.4700 0.3352 0.2456 4.0922 0.4347 0.9104 1.5797 0.8572 0.6671 1.3538 3.0875 0.8023 1.5059 0.8056 1.6688 1.5271 1.4445 0.3624 1.0000 1.9094 1.2866 0.9990 1.5601 1.0599 1.9049 0.6288 0.9414 0.5219 1.1206 0.7218 1.5315 0.5494 2.5415 docosahexaenoate (DHA; 22:6n3) 1.3225 0.8337 0.6475 2.0279 2.3706 1.0817 0.6069 1.0314 1.3506 1.0845 0.8460 0.9945 1.7442 1.6221 0.5255 0.8382 1.7868 0.9768 0.8161 2.1378 0.7078 0.6755 0.9613 0.9085 0.6906 0.7969 1.2236 1.0838 0.8856 1.0616 3.2381 0.9733 1.0072 1.1407 1.6323 0.7105 1.5776 0.8250 1.2912 1.5295 1.3725 0.7476 0.8923 1.2857 1.0595 0.6255 1.6898 1.2727 0.7072 1.2212 1.9557 1.3880 0.9156 1.0055 1.1243 0.7346 0.6676 0.7582 0.4191 1.3964 1.9269 0.9752 0.5794 0.6721 0.7403 0.7481 0.5472 1.5711 0.8752 1.6132 1.2509 0.6769 1.0000 1.0425 0.6294 docosahexaenoylcarnitine (C22:6)* 1.0728 0.6332 0.7881 1.1197 3.2642 0.6565 1.6544 0.6245 0.7680 2.2495 0.8816 0.6859 0.6023 1.9072 0.3489 0.3489 1.9332 0.4627 1.1200 1.5256 0.8631 0.7444 1.2613 0.8253 1.1537 2.1768 0.8189 1.3936 1.3435 1.0000 1.5760 0.7353 1.3401 0.7625 1.2543 1.0062 1.4083 2.4183 0.4720 0.9666 1.5780 1.3527 0.3694 1.6118 0.4770 0.5360 1.5228 0.7503 0.3912 0.7893 2.4225 0.8630 0.7746 1.1213 1.1096 0.8071 1.4106 0.5208 0.5218 1.2169 0.9552 0.5859 1.5798 0.3489 0.8286 1.4983 0.8780 1.1659 1.2705 1.2343 1.1857 0.3696 1.5296 0.6442 0.4209 docosahexaenoylcholine 0.7592 0.4607 0.3463 1.5169 4.5067 1.9389 0.6875 0.8230 0.7657 1.9005 0.8592 1.3084 2.0121 1.5156 0.3501 0.6274 1.9189 1.0293 1.9369 2.1809 0.9378 0.6764 1.3637 1.1198 1.1372 0.9642 1.1319 0.1392 0.4723 1.2528 1.9202 1.5997 1.7128 0.6669 0.8358 0.3240 3.8420 0.3371 1.6940 3.5415 0.9548 1.6436 1.2821 1.9856 0.5925 0.3529 0.5424 1.3356 0.5296 1.9696 0.1392 1.3076 0.5648 1.1018 0.7695 1.0825 1.2856 1.0000 0.1587 0.7409 0.4272 0.2483 0.9633 0.4111 1.2322 0.8561 0.2108 2.4593 0.2057 0.5295 1.5341 1.1464 0.3084 1.6335 0.1392 docosapentaenoate (n3 DPA; 22:5n3) 0.8646 0.6276 0.8926 1.0238 1.5463 1.0827 0.4143 1.1696 1.6349 1.2479 0.8154 1.1073 2.0215 1.0577 1.4360 1.3233 1.1356 0.6809 0.8746 1.5367 1.5889 0.7725 1.6632 1.4111 0.7446 1.3035 0.6304 1.0709 0.6635 0.7658 2.2770 1.0932 0.9703 0.8967 1.6623 0.5620 0.8538 0.8345 1.3981 1.3357 1.1606 0.7679 1.1520 1.0556 1.4413 0.7140 1.2484 0.6557 0.7634 1.0000 0.9433 1.4808 0.4976 1.6273 1.3246 0.6402 0.4791 1.1452 0.4657 0.9430 2.1211 0.5327 0.4140 1.1679 0.3417 0.7190 0.6132 1.3433 1.1642 1.1692 0.8229 0.6670 0.8938 0.8288 0.6659 docosapentaenoate (n6 DPA; 22:5n6) 1.3666 1.0578 0.8972 1.2592 0.5643 1.0905 0.7868 1.0155 1.1446 1.1004 0.8778 0.7943 1.5407 0.8492 0.7873 1.4224 2.0735 0.6950 0.8064 1.1269 1.1016 0.4704 1.4207 0.8647 0.6703 0.9385 0.6625 0.7871 1.0899 1.0394 1.4320 1.1922 1.2118 0.9772 1.9258 0.5883 2.1545 0.7950 0.7709 1.2343 0.5617 0.7500 1.5999 1.7710 1.1601 0.8327 1.6818 0.7580 0.7358 1.2018 1.4153 1.3608 0.5098 1.8640 1.2193 0.9611 1.0000 0.8792 0.5285 1.0302 2.4097 0.5867 1.2560 0.8006 0.9854 0.6874 0.8533 1.5511 0.9395 1.1611 1.4713 0.8536 0.9140 1.6722 0.6014 docosapentaenoylcarnitine (C22:5n3)* 0.2933 0.2933 0.8984 0.2933 2.7708 0.8417 2.3529 0.2933 0.2933 1.0325 0.2933 0.5566 0.2933 1.1517 1.0000 0.9954 0.2933 0.2933 1.1709 0.9611 2.8223 0.8086 2.9531 1.3697 0.8490 1.0330 0.6825 1.6651 0.2933 0.2933 1.1718 1.6419 1.6184 0.6948 2.0368 1.2043 0.2933 2.3017 0.8418 0.2933 1.4967 1.9322 0.7204 0.8817 0.4972 0.2933 0.2933 0.5601 0.7839 0.2933 1.0932 0.9141 0.4400 0.2933 1.2509 0.2933 0.8580 0.2933 0.7039 0.2933 0.6620 0.2933 0.2933 0.5802 0.2933 2.0086 1.3065 1.1308 0.2933 0.2933 0.2933 0.5161 1.5364 0.4905 0.2933 docosatrienoate (22:3n3) 1.1201 0.7706 1.5830 1.5057 0.3253 1.8638 0.5044 0.3253 1.2513 0.8596 1.5166 0.8918 1.7951 0.8246 1.3998 1.2642 1.2301 1.0778 0.3253 0.3253 2.2633 0.8717 1.2577 0.7231 0.5017 1.1178 0.8239 0.3253 0.8375 0.6922 0.7571 1.0108 0.3253 0.9727 1.0898 0.5550 1.6492 0.8783 0.9526 0.9014 0.3253 0.9283 1.4133 0.3253 1.4510 0.7038 1.3117 0.3253 0.8378 1.5588 0.3700 0.3253 0.7633 2.9801 1.2091 0.3253 0.4074 1.3086 0.5542 1.0654 2.7856 0.3253 0.3253 0.9892 0.3253 0.5479 0.7897 1.2865 1.2218 1.2987 0.3253 0.3253 1.2062 0.7364 0.7294 docosatrienoate (22:3n6)* 2.0176 0.0948 1.5337 0.3937 0.0948 0.4911 0.0948 0.0948 1.3552 0.7859 0.3324 0.3955 2.0379 0.6012 2.1987 1.3289 1.0836 0.3905 0.0948 0.0948 1.5146 0.2375 0.4081 0.8069 0.0948 1.0498 0.0948 0.0948 1.1756 0.4383 0.4148 0.5195 0.0948 1.1913 3.5590 0.1103 0.9502 1.3109 0.6024 1.9814 0.0948 1.8619 2.5569 0.0948 1.7189 0.6590 0.2637 0.3679 0.4976 0.6677 1.4641 0.0948 0.1015 2.1489 2.0429 0.0948 0.4017 0.8047 0.2059 2.3706 3.8378 0.0948 0.0948 0.5890 0.0948 0.2309 1.1741 1.5010 1.4960 1.0789 0.0948 0.0948 1.7759 1.2164 0.0948 dodecanedioate 1.3037 2.2905 2.1242 0.7531 0.9001 0.9629 0.7211 0.8916 1.6250 0.9588 0.8949 1.0912 0.9329 1.4576 0.8745 1.1088 1.2717 1.7512 0.5716 0.8338 1.0000 0.6045 1.1227 1.0159 0.9139 1.7878 3.0540 1.9806 1.3566 1.4717 1.3230 0.9155 0.5151 1.0156 1.9880 0.6209 2.1006 0.6313 1.8522 1.6941 1.3211 0.5567 1.2361 1.1435 0.8351 10.7393 0.5708 0.6786 0.5544 0.8662 1.2384 0.8988 1.1394 1.1395 0.7932 1.4229 0.7191 0.8914 0.6755 3.4265 2.8123 0.8957 0.4947 0.9739 0.5738 0.5627 0.9460 1.3805 1.2253 0.7539 0.3530 0.5761 1.6653 3.3358 1.9552 dopamine 3-O-sulfate 0.8305 0.6405 0.8081 1.4397 0.6398 1.1923 1.0501 0.4672 1.4872 6.2478 0.6676 1.3836 6.3471 0.7204 0.8543 0.6855 0.7100 1.2586 0.6547 0.4673 0.7378 0.8187 1.0158 1.4998 0.7432 0.8822 0.8033 1.0627 0.8173 2.0509 2.4014 1.8443 0.8321 1.0943 1.2466 1.2726 1.0801 0.6984 1.3481 0.9516 0.8695 0.6478 1.1137 0.6167 0.5203 1.6530 0.4001 0.9306 1.8621 1.4063 1.5833 0.5055 6.4240 1.2320 0.5985 1.3805 1.0601 0.6412 1.2033 0.6350 0.5463 1.0492 0.8895 0.8744 2.4831 1.0195 1.1127 1.5125 0.7926 0.4598 1.1468 0.8067 1.1107 1.0000 1.3534 dopamine 4-sulfate 0.3678 0.3678 0.6563 0.9795 0.3678 0.6019 0.3678 0.3678 1.5146 8.9267 0.3748 1.3153 5.5572 0.3678 0.3678 0.3678 0.3678 1.0000 0.3678 0.3678 0.3678 0.3678 1.7253 0.8810 0.3678 0.3678 0.3678 0.7298 0.6104 1.9850 3.4418 1.5802 0.3678 0.8378 1.0254 0.7249 0.3678 0.3678 0.8055 0.3678 0.3678 0.3678 1.0504 0.3678 0.3678 1.3803 0.3678 0.3678 1.9311 0.6422 0.3678 0.3678 9.6459 0.9632 0.3678 1.1824 0.3678 0.3804 0.3678 0.3678 0.3678 0.5032 0.6594 0.3678 2.1228 0.3678 0.3678 1.3813 0.3678 0.3678 0.3678 0.5144 0.3678 0.3678 1.3279 DSGEGDFXAEGGGVR* 4.5237 0.3594 0.3594 0.3594 0.4704 0.3594 0.3594 0.3594 0.3594 0.3594 0.3594 0.3594 0.4882 0.5898 0.3594 0.3594 0.3594 0.3594 1.5710 0.8284 0.3594 0.3594 0.3594 0.3594 0.3594 0.9641 1.2562 0.3594 1.0359 0.6105 0.3594 0.3594 0.3594 0.3594 0.3594 0.3594 0.6036 0.3594 0.3594 0.3594 0.3594 0.3594 0.3594 0.3594 0.3594 0.3594 5.3852 0.3594 0.3594 0.3594 58.3170 0.8871 0.3594 1.1821 0.3594 4.9638 0.3594 4.9651 0.3594 0.3594 0.3594 3.3361 0.3594 0.3594 0.3594 0.3594 0.3594 0.4313 0.8819 0.6706 0.3594 1.3867 0.3594 0.3594 1.3828 ectoine 0.9720 0.2132 0.0996 1.4669 3.1112 2.0343 4.2193 0.7143 0.0996 2.0019 0.0996 0.4784 0.1809 0.6508 3.9473 0.1184 0.7711 2.9416 7.0802 0.5809 2.5326 0.1828 1.5646 1.4731 0.8600 1.2307 0.0996 1.0571 1.6272 0.8801 0.0996 4.4153 0.2759 0.2858 0.2277 0.7086 1.3761 0.7749 0.3553 1.8302 4.1095 1.3720 0.0996 0.4915 1.2520 0.3960 0.0996 2.4455 1.0280 0.2928 0.7043 1.0647 2.9232 0.0996 2.0361 0.2310 0.7981 2.4945 0.5769 0.9688 1.2086 4.7706 0.7154 1.3540 0.4800 1.4092 0.8056 0.2202 0.1076 1.3355 4.3568 0.1528 6.2552 0.7395 1.7009 EDTA 1.0339 0.9971 1.1121 0.9188 1.0353 1.0835 1.0944 0.9658 0.9492 0.9224 1.1081 1.1431 0.9266 0.9883 1.0520 1.0216 0.9062 0.8733 1.2341 0.9179 0.9150 0.9012 0.9149 0.9631 0.9577 0.8079 1.1886 1.8252 1.4150 0.8774 1.0000 1.3087 1.0578 0.9088 0.9856 1.4105 0.8933 1.2555 0.9507 1.1164 1.3695 1.0155 0.7912 0.6844 0.8266 1.0652 1.2808 0.9686 1.0725 0.9877 1.7629 0.9235 1.0305 0.9196 0.9854 1.1208 0.9043 1.0858 1.2547 0.8392 0.9734 1.1581 0.9237 1.0758 0.9612 1.2855 1.2001 0.8055 1.3839 1.0329 0.8441 1.0456 1.1191 0.9166 1.3039 eicosanodioate 1.9532 0.8926 1.1078 1.0000 1.1724 1.1928 1.6496 0.9959 0.8333 0.7595 0.8391 0.6956 0.9158 0.7491 1.1705 0.9016 1.0207 1.3252 0.6713 1.8389 3.9412 0.5259 2.2296 0.9240 0.7878 1.2758 0.8247 1.8103 1.2783 1.0273 0.8931 1.2626 0.4208 0.7386 0.7881 0.8968 0.9350 0.9103 1.1918 1.3560 1.3264 0.9813 0.8130 0.6246 1.4062 4.0678 0.4181 0.8812 1.6362 0.8355 0.8037 0.9878 1.5232 0.4671 1.0732 1.2554 1.2903 1.7776 1.3679 0.5614 0.8895 2.3161 1.2034 0.6717 1.3470 1.1739 1.2690 0.8062 1.2587 0.8020 1.4085 0.7425 1.3976 0.6805 2.0944 eicosapentaenoate (EPA; 20:5n3) 0.8980 0.6182 0.8721 1.1813 2.5090 0.9589 0.2912 1.0954 1.5631 1.0958 0.7440 0.9352 1.3568 1.1447 1.2366 1.0333 1.1501 0.4988 0.7279 3.2901 1.0458 1.0000 1.2851 1.8672 0.8078 1.0449 0.7378 0.7846 0.5463 0.7757 3.9940 0.9063 0.8063 0.9694 1.7525 0.5717 0.9005 1.2229 1.4728 1.4542 1.9312 0.9949 1.2001 0.9686 1.4440 0.8028 1.0968 1.2280 0.6450 1.1824 1.3096 1.6545 0.6789 1.2802 1.1272 0.7590 0.7220 0.7927 0.5541 0.9579 2.3264 0.4132 0.3853 1.1341 0.4520 0.7466 0.5803 1.2388 1.1518 1.2444 0.6812 0.7150 1.0747 1.1100 0.5079 eicosenoate (20:1) 1.4435 1.5158 1.0769 0.9288 0.7607 0.8867 0.3539 1.0904 1.6401 0.7514 1.0000 0.9330 1.6133 1.6953 1.3627 1.1632 0.8839 1.1017 0.7466 0.7314 1.2046 0.7445 1.0213 0.7284 1.0284 1.1413 1.4144 0.7477 1.0487 0.8295 1.5633 0.8575 0.8373 1.1412 1.5119 0.4749 1.0918 0.7289 1.7122 1.4768 0.9327 0.6958 2.1883 1.0720 1.3958 0.6895 0.9269 0.3795 1.1249 0.6268 1.0695 0.8471 1.3995 1.8049 1.4054 0.7146 0.7867 1.1359 0.3699 2.4873 2.2102 0.5385 0.7344 0.6649 0.5205 0.5100 1.1942 0.9461 1.1504 1.7006 0.4353 0.8508 0.8695 1.5057 0.4952 eicosenoylcarnitine (C20:1)* 0.6869 0.9052 1.1558 0.7660 1.5646 0.8406 1.1133 0.5566 0.9544 0.6173 1.1831 0.9257 0.6074 1.8283 1.7316 1.2328 0.8527 1.0775 1.3401 0.6398 1.3907 0.7950 1.2667 1.2185 1.2386 0.9932 1.3869 1.5110 0.7613 1.0594 1.2172 1.2660 0.7134 0.7778 1.0989 0.5969 0.9985 0.9534 1.1904 1.0000 1.1211 1.2876 1.3191 0.6942 0.7436 1.4143 0.4371 0.3789 1.2233 0.6036 0.6612 0.5803 1.4063 1.1415 1.4091 0.8878 1.5257 1.9051 0.5381 1.1996 1.7818 1.1829 0.7274 0.6916 0.4415 1.3938 1.6230 0.7504 0.9700 1.1187 0.5665 0.7588 0.8525 1.1798 0.5663 epiandrosterone sulfate 0.9282 0.8604 2.3858 0.9189 1.1885 1.1212 3.3275 0.3283 1.4873 1.3619 0.5231 1.2461 1.3441 1.4342 1.6937 1.5644 0.8796 0.6453 0.9266 0.3245 1.2871 0.4262 0.4631 1.0000 1.4061 2.5580 1.1003 1.1673 0.6583 0.4639 0.9773 0.9645 0.2867 1.3267 1.1288 0.8711 1.5039 1.4099 2.1680 0.7076 1.5130 1.1727 1.2060 0.5762 0.3883 0.7159 0.4759 0.9054 1.7960 1.4924 0.4764 1.0614 1.8874 1.3515 3.0628 0.5769 1.9214 0.9596 1.9622 1.3770 1.4526 0.6043 0.8531 0.3472 0.5683 0.8054 1.4863 0.3803 0.3331 0.9948 1.7022 0.2405 1.3871 0.8274 0.5403 ergothioneine 1.4520 0.7541 0.5515 1.9436 0.9343 1.7780 0.5533 0.7053 1.7579 0.8603 0.3077 2.2548 0.9848 2.5931 1.7606 1.0595 0.6055 0.8553 3.2295 0.8093 0.3970 0.5239 0.3775 1.4761 0.8551 0.4486 4.4694 3.2353 0.4132 1.6097 0.9127 1.6520 0.6829 1.6398 1.1113 0.7074 3.2309 1.0000 1.9553 1.4418 1.2083 1.2566 6.4772 0.7056 0.8510 2.0505 0.8820 1.0036 1.0767 1.9376 4.5591 0.5566 0.9712 2.0930 1.3661 0.2922 1.3798 9.6195 0.3745 1.1753 0.4110 2.7138 0.8987 2.4628 0.7554 1.4791 0.5211 0.5018 0.8936 0.7611 1.0513 2.2914 0.6920 0.7683 0.7616 erucate (22:1n9) 1.2949 1.2303 2.4120 1.2274 1.0734 1.0000 0.6127 0.9196 1.2800 0.8647 1.2284 0.9175 1.4339 2.1788 1.5928 2.0482 0.8872 1.0711 0.8366 0.7751 0.9053 0.7593 1.0367 0.9402 0.6556 0.7699 1.3599 0.8242 1.0999 0.9610 1.3884 0.9675 1.1623 1.3194 1.3650 0.5971 1.2610 0.8095 1.0513 2.0622 0.9495 0.8602 2.3951 0.5149 1.0282 0.8484 1.0837 0.5489 0.9544 1.1293 1.0998 0.7666 1.9807 1.5729 2.1561 0.6030 0.5381 1.3839 0.5564 2.0499 2.3911 0.8937 0.7952 0.8836 0.6741 0.6718 4.6197 0.9728 3.8607 1.8198 0.6104 0.4385 0.7545 1.9806 0.5794 erucoylcarnitine (C22:1)* 0.9463 0.2596 0.2596 0.7193 1.9924 0.2596 0.2596 0.2596 1.0428 0.4028 1.5490 0.2596 0.7122 1.6601 1.9034 1.7489 0.7168 0.5814 1.6650 0.6338 0.9862 0.2596 0.2596 1.8506 1.1609 0.6805 1.4849 1.6724 0.2596 0.2596 0.2596 1.2786 0.2596 0.6984 0.7045 0.7284 0.8658 1.0169 0.2596 0.9428 2.0141 1.1161 1.2724 0.2596 0.6943 0.8232 0.2596 0.3607 1.1303 0.2596 0.5771 0.4862 0.5804 1.6308 1.7741 0.5372 1.7946 2.2107 0.4297 0.7897 1.9143 0.2596 1.2242 1.0493 0.2596 1.4576 1.7862 0.6749 1.0000 1.1736 0.2596 0.7302 0.2596 0.8932 0.2596 erythritol 0.6755 1.1652 1.0598 1.0086 1.1003 1.1916 1.5442 0.7275 0.8016 1.3939 1.3042 1.2607 1.2162 0.9526 0.8614 1.0920 0.9736 1.5856 0.8686 1.0918 1.1375 0.9452 1.2983 1.3079 1.4270 0.9179 0.8586 0.9039 0.8473 0.8742 0.8052 1.1079 1.4332 0.9652 1.3938 0.8899 1.0850 1.0747 0.8914 0.6114 1.2782 1.3082 0.9041 0.9972 0.9661 1.3362 0.6094 0.9171 1.1216 1.2625 0.9150 0.9485 1.3329 1.2239 1.0000 0.7000 0.9807 0.7427 1.0038 0.5932 0.7169 1.4340 0.9881 1.1928 1.0634 0.9219 0.9887 0.7164 0.8115 0.9019 0.7955 1.3670 1.2735 1.1524 1.1555 erythronate* 0.6743 1.1467 1.0702 0.9478 1.2164 1.1411 1.3113 0.7842 0.8434 1.1676 1.1983 1.0812 1.0999 1.0379 1.0690 1.1716 1.1164 1.2499 0.9825 0.9284 1.1102 0.8762 1.1719 1.1905 1.0569 1.1173 0.8420 0.9248 0.8502 0.7699 0.7400 1.0000 1.2108 0.7221 1.0011 0.8495 1.0841 0.9083 1.0640 0.8149 1.0586 0.9858 0.8969 0.8858 0.8344 1.0463 0.6906 0.7946 1.0999 1.1550 0.9074 0.9530 1.3839 1.1548 0.9591 0.7073 1.0820 0.9647 0.9433 0.7718 0.8744 1.2215 1.0555 1.0065 1.0164 0.9562 0.8711 0.8484 0.8971 0.9746 0.8405 1.1598 1.1060 0.9971 1.0359 escitalopram 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 estrone 3-sulfate 0.5617 0.2410 0.5153 0.2410 0.2410 1.1428 0.6682 0.4603 2.1557 0.7853 0.7224 0.2410 1.3330 3.0168 0.2410 0.2410 0.2410 0.2410 0.4436 0.2410 0.2410 0.2410 0.7667 0.3899 0.6242 2.6143 2.5865 0.6769 0.8115 0.8289 0.5678 1.3657 0.2410 7.7308 5.5018 1.5835 0.4141 0.9267 3.3589 0.8253 0.2410 1.3098 1.9370 2.8830 0.2410 0.2410 12.9292 0.2410 0.2410 0.7329 0.2410 0.8141 0.2410 1.3022 1.6028 2.0864 0.2410 3.3134 0.2410 0.2410 1.7971 0.2410 0.2410 0.6774 0.2410 0.2410 0.5946 1.0733 0.2410 0.2410 0.6918 0.2410 1.5486 0.2410 1.3734 ethyl glucuronide 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 1.0000 0.6775 0.6075 1.6719 0.6075 0.6075 0.6075 0.6075 2.3808 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 0.6075 ethylmalonate 0.8278 1.1237 1.0127 0.8487 1.3764 13.2544 0.7385 0.7944 6.8320 0.9078 1.7247 2.2698 0.6581 0.8302 0.9297 1.1672 1.0697 2.4508 1.8774 1.0451 1.4478 1.9817 1.1816 1.7887 1.2761 0.8825 0.9499 1.0504 0.8697 0.8774 0.9683 1.1573 0.5355 0.8579 1.4907 0.6322 1.3887 0.9169 1.7689 0.9770 0.7985 0.8472 4.3878 0.6805 0.8998 7.9640 0.6899 0.6494 0.7244 3.5346 1.0902 1.0665 3.3735 1.4995 1.3066 0.5127 0.7773 1.0258 0.8832 0.8388 2.1537 1.0637 1.2389 1.1142 0.7776 0.5940 0.7110 0.7385 0.9657 1.0000 0.7403 0.9522 1.0235 7.0875 0.5988 etiocholanolone glucuronide 0.9311 0.6351 1.4682 1.0000 1.6800 3.3732 2.5460 0.6589 0.9093 1.3240 0.6574 1.6666 3.0216 0.5059 1.0590 1.9123 1.1116 1.4066 2.4368 0.8189 1.2930 0.4725 1.0271 1.0723 0.4000 2.5587 0.7297 0.8269 0.8712 0.8201 1.0758 1.6209 0.9656 1.2835 0.7217 0.5039 1.5628 0.6180 1.1867 0.9551 1.4655 0.9858 0.9701 0.5753 0.2517 2.9854 0.6861 1.2477 1.8022 1.7723 1.8501 1.5649 2.1098 0.7895 1.9367 1.2354 0.9105 0.9147 1.2501 1.1327 0.4956 0.4365 0.6480 0.2460 1.4977 0.6206 1.5722 0.6457 1.1326 0.5828 1.4597 0.5240 0.4581 0.6455 0.7767 eugenol sulfate 1.0029 0.1612 1.0045 0.7022 0.5639 5.5251 0.6316 0.1612 0.3577 3.2021 1.6158 1.8061 0.7429 0.1612 0.1612 0.1612 0.7212 1.6514 14.9284 1.0000 0.8433 7.0236 0.5021 0.8074 1.8982 0.1612 1.9132 0.2736 0.7928 0.3458 1.1668 0.5754 1.8619 1.4197 0.3111 0.3438 1.6686 0.7616 0.2804 0.1612 0.7443 0.9108 0.1612 0.8318 4.3392 1.9671 0.1612 0.6085 7.8297 0.8582 0.2201 2.1904 2.7010 0.1612 1.5262 0.1612 2.1474 0.1612 123.7468 0.1612 0.1612 0.9114 5.9933 2.9634 0.1612 2.4499 1.1588 1.5057 0.6355 0.1612 0.1612 0.6067 7.8908 0.9172 0.8717 flavin adenine dinucleotide (FAD) 1.0746 0.6064 0.4114 1.1707 0.8029 0.9729 0.9966 0.8586 1.2020 0.4114 0.4114 1.0879 0.8722 1.3157 0.8420 1.0975 1.1137 1.3862 0.4114 1.2543 0.9093 0.7302 0.4114 2.1748 0.4114 0.4114 0.8840 1.1320 0.8755 1.5114 1.7860 2.3976 1.0530 0.4114 0.7465 0.6097 1.2909 0.5330 1.2474 0.6319 0.8181 0.8355 0.4114 0.4114 0.4114 0.8442 1.7376 1.0000 0.4114 0.4114 1.8786 0.9003 0.4114 0.4114 0.4114 0.5139 0.4114 0.6924 1.0677 0.4114 0.4114 1.0160 0.5784 1.0340 0.7147 1.3287 1.2907 0.4114 0.9447 0.6175 1.6158 0.8098 0.4114 1.1440 1.1671 ferulic acid 4-sulfate 0.4349 0.2635 0.2635 1.5437 0.2635 0.2635 0.4693 0.2635 0.2635 1.1566 0.2635 0.9744 1.0130 0.2635 0.2635 0.2635 0.7425 10.4838 0.2635 0.2635 0.2635 0.2635 0.7633 0.2635 0.2635 0.2635 0.2635 7.7247 1.0935 0.2635 1.2625 0.2635 0.2635 0.2635 0.5755 0.2635 0.4536 0.4960 5.0806 0.2635 0.6153 0.2635 0.2635 0.2635 0.4143 47.2698 0.2635 0.2635 1.6059 0.4670 0.2635 1.0000 4.9508 0.8605 0.2635 0.2635 1.0070 0.2635 6.4545 0.2635 0.2635 1.4264 0.9844 4.9052 6.3248 0.8484 2.3408 0.2635 0.4434 0.2635 0.2635 0.2635 0.3534 0.3519 1.1765 fructose 0.4461 1.1094 0.5211 1.0545 0.9648 1.2192 0.7490 0.7825 1.0000 1.3376 0.8459 0.9092 1.0525 0.8395 1.3406 1.1244 1.3066 1.6338 0.4816 0.9691 0.8386 0.7135 0.6016 1.0702 0.5981 0.7542 0.4830 0.2951 0.4137 1.2255 0.4994 0.6849 0.9756 0.5850 0.9533 0.7826 1.2354 1.6919 1.5820 2.0660 1.0129 1.4849 1.3152 1.1777 0.8411 1.2963 0.4988 1.2370 1.5564 1.0045 0.2398 0.9995 1.0621 0.7273 1.0524 0.7174 1.2855 1.4175 0.5258 0.7292 0.3535 0.8957 1.4695 1.3287 0.4828 0.4175 0.7574 1.5005 1.2572 1.2790 1.7907 1.1024 1.2579 1.5166 1.1810 fumarate 0.9277 1.2662 0.9863 0.8944 1.0482 0.8639 0.8783 0.8843 0.9557 0.8516 1.4804 1.3864 0.8806 1.1009 1.0853 1.2171 1.2653 1.1319 1.3215 1.0560 1.7404 0.6603 1.2969 0.8198 1.0214 0.8557 0.9562 0.8653 0.7524 1.3078 1.3825 1.1798 1.1025 1.0522 1.2855 1.0000 1.0295 1.1308 1.3307 0.7450 1.0048 0.8877 0.9149 0.7830 1.0795 1.0133 1.0218 0.7814 0.9546 1.2932 0.6869 0.9150 1.0041 0.9102 1.0660 0.8302 1.2548 0.6951 0.6368 0.6136 2.1489 1.2323 0.8915 0.7399 0.7297 0.7452 0.7464 0.9747 0.7276 1.3471 0.6620 1.1472 1.1704 1.1101 0.6533 gabapentin 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 galactitol (dulcitol) 0.7653 1.2525 0.9303 1.2040 1.0052 2.4898 1.5333 0.6127 0.7910 1.4237 1.1708 1.1464 1.0000 0.6460 1.2513 1.5011 1.3074 2.5624 1.2322 0.9417 0.9963 1.0396 1.1331 1.8089 0.7964 0.9636 0.8495 0.8704 1.0975 1.1683 1.0384 1.1979 1.4560 1.0511 0.9765 0.7433 0.8224 0.9566 0.9839 0.6167 3.4278 1.0825 0.9517 0.8172 0.9962 1.3693 1.0311 0.9655 1.5712 0.9843 1.0356 0.9564 1.2436 0.7503 1.1309 0.7099 1.7084 0.6034 1.2849 0.6976 0.9034 1.0979 0.9441 0.8061 1.1926 1.0622 0.8305 1.0363 0.8976 0.7558 0.5656 0.9210 0.9734 0.8268 1.2720 galactonate 0.0628 0.0628 0.0628 1.3348 0.0628 0.5464 1.5022 0.0628 0.0628 0.8758 2.4404 1.0123 2.9032 2.1893 0.2827 0.5967 1.5493 1.1665 0.0628 0.0628 0.5111 0.2093 0.0628 0.6341 0.8611 0.7411 1.6468 0.1372 1.1679 1.3812 3.3121 0.0628 2.0004 1.4583 4.4369 0.0628 2.5816 0.4033 0.8593 0.0628 1.1301 2.1922 0.1928 2.0803 0.0628 0.5792 0.6994 0.0628 0.4777 2.2899 1.0330 0.0628 1.7820 1.1494 0.2625 0.9753 0.8081 0.0628 1.1942 0.0628 0.6794 0.0628 0.5167 0.3743 0.4533 0.9877 1.8772 0.0628 0.0628 0.0628 0.0628 2.0252 1.8883 0.2751 0.4491 gamma-carboxyglutamate 1.0727 1.2553 1.0000 1.1253 0.9550 1.3283 0.8955 1.1781 0.6714 0.9236 0.7237 1.0925 0.7363 0.9468 1.1224 1.2006 1.3110 0.8237 0.9539 1.2833 0.8693 1.0447 0.9240 1.1198 0.8302 0.7177 1.1775 1.6088 1.3211 1.2174 1.0122 1.7492 1.1110 1.3975 1.2497 0.7930 1.2284 0.8897 0.9108 0.8143 0.8550 0.8256 0.7925 1.1962 0.9703 0.8737 0.1968 0.2992 1.0692 0.9457 0.9280 0.6928 1.0746 1.9915 0.2496 0.5674 0.7164 0.8501 1.1125 0.9886 0.9090 1.0220 1.1013 1.0425 1.3581 1.2033 1.0327 0.9332 1.2507 0.7874 0.7219 1.3128 1.2531 0.7828 1.0843 gamma-CEHC 0.8168 0.4324 2.1212 1.6208 0.6219 2.4035 4.4953 1.5580 0.2930 2.4759 1.1544 1.0687 0.6214 0.3079 1.6339 0.7800 1.4225 4.8558 0.3140 0.8629 1.7118 1.7494 0.7506 1.3327 1.1981 0.8044 0.7693 1.6577 1.8133 2.3922 0.7957 1.7007 0.6248 0.3648 0.6935 1.0634 0.7680 1.1685 1.5645 1.8432 0.4710 0.4776 0.7852 0.7177 1.9323 0.7546 0.3126 1.6005 0.8202 3.0112 1.0875 3.4585 2.1317 1.0000 0.4693 0.9794 0.5159 0.5039 3.0811 0.6474 0.2769 0.5434 0.4358 0.4953 3.2734 1.7156 2.3794 0.4216 2.6848 0.3207 1.7499 0.4280 1.1890 0.6281 3.0120 gamma-CEHC glucuronide* 0.2358 0.2358 1.3110 1.4677 0.5404 1.9056 2.6400 0.9069 0.2358 2.2002 0.6797 0.6759 0.6866 0.2358 1.2806 0.2358 1.1678 5.2252 0.2358 1.1817 1.5560 0.9116 0.7196 1.2791 0.7292 0.6499 0.2358 1.2960 1.6356 2.0153 0.6327 2.7991 0.3091 0.2358 0.3575 0.5462 0.4032 1.0348 1.1253 0.9756 0.2358 0.2358 0.5382 0.2358 1.2479 0.6412 0.2358 0.7928 0.2358 2.3123 0.7885 1.8338 0.9725 0.4731 0.2358 0.9042 0.2358 0.2358 2.2952 0.2358 0.2358 0.2358 0.2358 0.3715 3.2051 1.0244 1.4834 0.2358 0.8922 0.2358 1.4945 0.2358 0.7422 0.2358 2.0887 gamma-glutamyl-2-aminobutyrate 0.5507 0.5463 1.2294 0.3907 0.6910 0.9179 1.4072 1.1830 0.8541 0.4601 1.0352 1.3091 0.2372 1.0970 1.4147 0.7686 1.1875 0.2412 3.2859 0.2372 2.3150 0.2372 0.5925 0.8953 1.0635 0.7547 0.2372 0.2372 0.4289 0.2372 1.0733 2.2767 1.1672 0.6418 1.1619 0.6883 0.9632 1.3030 0.4117 0.2372 0.8560 0.7680 0.2372 0.4792 1.4439 1.0088 0.3950 0.2947 0.3781 0.2372 1.3158 1.9314 0.2372 1.4294 2.7083 0.2372 1.4467 0.9986 0.4888 1.3383 2.6909 0.5196 0.3881 1.0000 0.8635 1.3342 1.5459 0.2372 1.7957 3.3905 0.2652 1.4192 1.6526 0.2372 0.5927 gamma-glutamylalanine 1.1614 1.2903 1.3996 0.5020 1.1812 1.2555 1.5285 0.8150 0.3871 0.6731 1.0438 1.4610 1.0498 1.3977 0.6937 1.1669 1.0986 0.8045 1.1911 2.1152 1.2107 0.7271 0.8358 1.6150 0.7979 0.7508 1.0121 1.0249 0.9677 0.7240 1.2680 0.8479 1.6930 1.1439 0.7408 1.0992 1.0102 0.5597 0.7331 0.1926 0.9535 1.0118 0.7345 0.4491 0.5252 0.8027 0.9722 1.2665 1.4629 1.0137 0.6732 0.8568 1.0000 1.8377 0.5862 0.3529 0.5351 0.5661 1.3376 0.2553 1.3498 0.7713 0.8276 0.7175 1.0273 1.0725 1.0081 0.9325 0.4690 1.3571 0.4918 1.1991 1.3275 1.3151 0.9317 gamma-glutamyl-alpha-lysine 0.9770 0.7899 1.1931 0.6286 1.3902 1.2279 1.3557 1.1424 0.8483 0.9812 1.3351 1.2452 0.9539 1.0121 1.2210 1.3186 1.0610 1.0000 1.6634 1.0810 1.6310 0.9034 1.3238 1.0577 1.3894 0.8646 0.7436 1.5885 0.8956 0.5392 0.7726 1.4368 0.9605 0.9441 0.9224 0.8538 1.0967 1.1543 0.5059 1.0877 1.5335 1.1238 0.8261 0.6637 0.5734 0.8814 0.8225 1.1003 0.9971 0.8939 1.1321 0.9365 0.8442 1.1443 1.3130 0.6094 1.1769 1.1518 1.3477 0.5660 0.8045 0.8494 0.7844 0.9535 0.7430 1.2416 1.5161 0.9831 1.0006 1.3001 0.8449 0.8754 1.5480 0.7395 1.0474 gamma-glutamyl-epsilon-lysine 0.9023 0.9254 1.2298 0.6803 1.4233 1.3758 0.9456 1.1401 0.8704 0.9268 1.3042 1.6681 0.8933 0.9221 1.2168 1.2276 0.9252 0.9667 1.6163 1.0185 1.5726 0.9941 1.0674 1.0390 0.7651 1.0000 0.8897 1.4210 0.8396 0.6038 0.7431 1.1761 1.0195 1.1302 1.0071 0.6887 1.1220 1.0549 0.7201 0.8638 0.6563 1.0680 0.7784 0.6197 0.5709 0.7502 0.7793 0.8434 1.0232 0.7752 1.2909 1.1638 1.1130 1.0783 1.2131 0.6746 1.0007 1.0853 1.5678 0.6481 0.8033 0.9853 0.9294 0.8955 0.8182 1.2266 1.5097 0.9018 1.1989 1.1309 0.8765 1.0154 1.3044 0.7115 1.1801 gamma-glutamylglutamate 0.6881 0.6338 1.2477 0.5358 0.8635 2.2447 1.2695 1.0000 0.9138 1.1006 2.1439 0.7979 1.1296 0.5412 1.0320 0.8072 0.6080 0.8001 1.3084 0.8376 1.4282 0.9108 1.0165 2.5147 1.2333 0.7875 0.9454 1.3575 2.1285 1.0818 1.1448 1.8222 1.6380 1.0830 0.6253 1.1405 0.5473 1.4591 0.8755 0.7348 2.1516 2.1828 0.9487 0.4659 0.6952 2.0137 0.6555 1.1189 1.1910 0.7580 0.9449 0.7467 1.1496 2.0082 2.1024 0.6793 1.4070 1.4079 2.1803 0.5402 0.6936 0.8272 0.9800 1.3692 0.7668 1.5401 1.1600 0.8437 0.8441 0.7584 0.7196 1.0902 1.7091 0.7108 0.7664 gamma-glutamylglutamine 1.0000 1.2679 1.0872 0.8548 1.0186 1.2076 1.0021 1.0635 0.8320 0.7744 0.8607 1.6718 0.7083 1.3980 0.9354 1.4149 1.2151 0.9379 1.5554 1.1937 1.4049 0.7607 1.1090 0.9458 0.8864 1.1144 0.9999 1.2037 0.7150 1.1950 1.2347 1.0667 1.2860 1.2445 0.8911 0.6843 1.2873 1.0368 1.0131 0.4714 1.0914 0.8051 0.7409 0.6441 0.6568 1.0744 0.6914 0.8169 1.3370 0.6068 0.9594 0.8513 0.8415 1.0916 0.7778 0.8370 0.8768 1.0270 1.2371 0.5375 0.8066 1.0304 0.9525 0.6798 0.8597 0.9551 1.2386 1.1637 1.0040 1.0146 0.7170 0.8000 1.1452 1.1162 0.8958 gamma-glutamylglycine 0.6960 1.0486 1.2052 1.1915 1.4529 0.9329 1.3148 0.9367 1.1834 0.9795 0.8430 1.6367 0.8037 0.9990 0.8709 1.8746 0.8426 2.1834 1.3039 1.7816 1.1857 0.9421 1.0026 0.7726 0.9214 0.8280 1.0000 1.1918 0.8728 1.6412 1.2724 1.0322 1.0314 1.4565 0.7608 1.2382 0.8690 0.7478 1.1037 1.1290 1.1922 0.9028 0.7433 0.6460 0.8632 1.3611 0.5392 0.7789 1.8902 0.9377 1.0114 0.8419 0.8987 1.2294 0.9102 0.9346 0.7528 1.6458 1.4749 0.3143 1.8322 1.0682 0.6050 0.5501 0.6946 0.9214 1.0557 1.0807 0.9038 0.7686 0.6471 1.5245 1.2134 1.6093 1.3787 gamma-glutamylhistidine 1.1205 1.2579 1.5107 0.9284 1.2431 1.4604 1.2504 0.9343 0.7842 0.8565 1.2224 1.5552 0.8335 0.9905 1.0966 1.2356 1.4248 1.1101 1.5966 1.2072 1.3298 0.8430 1.2704 0.9468 1.1493 0.9686 0.7383 1.2679 0.9047 0.7402 0.8758 1.0396 1.0047 0.9116 0.9283 0.8266 1.2222 1.0840 0.9686 0.8378 1.2625 1.1219 0.9794 0.7163 0.6932 1.3161 0.6399 0.7417 1.3112 0.7317 1.2054 0.9434 1.0893 0.9923 0.9301 0.7374 0.8898 0.8202 1.3837 0.5413 0.8622 0.9347 0.9872 0.8613 0.9893 1.1017 1.2288 1.1697 1.1028 1.1172 1.0000 0.7967 1.2618 1.0740 1.0552 gamma-glutamylisoleucine* 0.4842 0.7843 1.1282 0.6344 1.1567 1.5075 1.8514 0.7065 0.6531 1.2598 1.0884 1.0896 0.7656 0.6381 1.3025 1.0006 0.7262 0.7811 1.4576 1.0000 1.4572 0.6876 1.5647 1.4975 0.8673 1.0772 0.3045 1.3688 1.5414 0.6962 0.9972 1.2669 0.9357 0.7063 0.7970 0.7935 0.6624 0.9929 0.5982 1.1561 1.3808 1.0773 0.4609 0.6129 1.0111 1.5601 0.6941 0.9531 1.1260 0.8149 0.7069 1.0423 1.7986 1.2618 1.1415 0.5460 1.1137 1.0461 1.4880 0.6795 1.0660 0.9453 0.6646 1.3917 0.8345 1.1301 1.0026 1.2621 1.4407 0.9258 0.9521 0.7322 1.5205 0.6888 0.9327 gamma-glutamylleucine 0.5078 0.8412 1.4389 0.5586 1.3040 1.4469 1.4783 0.8885 0.6804 1.1199 1.2144 1.2257 0.9709 0.9488 1.2738 1.0717 0.8479 0.8903 1.7548 0.8715 1.5296 0.7276 1.5551 1.5347 1.2066 1.1665 0.6219 1.2291 1.3433 0.7100 1.0000 1.2627 1.0978 0.6936 0.9625 0.6711 0.9331 1.0826 0.6252 0.9609 1.3170 1.1795 0.6418 0.7819 0.8407 1.1563 0.6444 0.8814 1.1295 0.8875 0.8130 0.9166 1.6877 1.2725 1.2026 0.7180 1.2628 1.0006 1.4828 0.6632 0.7767 0.7890 0.6534 1.4157 0.8493 1.0605 1.0967 1.0906 1.5607 1.2414 0.7455 0.8995 1.8597 0.6273 0.9700 gamma-glutamylmethionine 0.9049 1.0613 1.5425 0.7251 1.3385 1.1215 1.4669 1.1485 0.5995 0.6925 1.0573 1.5712 0.9795 1.1823 0.9142 1.2593 1.0207 1.1380 1.8051 1.6599 1.4733 0.8482 1.3016 1.2605 1.1207 0.9073 0.6524 1.1843 0.9095 0.6507 1.1734 1.5610 1.4106 1.1184 0.7918 0.7184 1.1213 1.0953 0.7117 0.9700 1.1726 0.9483 0.6897 0.6130 0.7088 1.1507 1.0634 1.0771 1.3144 0.7071 0.9455 0.9341 0.8997 1.1618 1.0243 0.6675 0.9013 0.9072 1.3790 0.3052 0.9654 0.7241 0.7461 0.7425 0.9160 1.0029 1.2284 1.2389 1.0000 0.7998 0.8575 0.8340 1.4830 0.8381 0.8744 gamma-glutamylphenylalanine 0.7262 0.9123 1.4387 0.7189 1.0584 1.6064 1.5678 0.7385 0.7850 0.9253 1.8236 1.6833 1.2560 0.8708 1.3381 1.0964 1.3151 0.9881 1.4055 0.9987 1.1414 0.8864 1.1391 1.3242 1.0707 1.0321 0.7159 1.5026 1.6527 0.5879 0.9488 1.2718 0.8577 0.7108 0.8285 0.7913 1.0000 1.1643 0.9296 0.9841 1.6735 1.1938 1.0507 0.7946 1.0477 1.2107 0.7700 0.7787 1.3127 0.9653 0.9582 0.8839 1.4576 1.2030 1.1557 0.6985 0.9164 1.1605 1.3591 0.5256 0.7437 0.8166 0.7920 0.8925 0.8626 1.1207 1.2399 1.3833 1.0778 0.9602 0.7727 1.0795 1.3412 0.9007 0.8660 gamma-glutamylthreonine 1.5398 0.9232 1.4312 0.6561 1.2735 1.3506 1.1335 1.4128 0.6113 0.9960 1.1868 1.4316 0.6841 0.8859 1.0444 1.4041 1.2405 1.0248 1.4657 1.6499 0.9906 1.2115 1.4051 1.0619 0.8859 0.7819 0.7235 1.2850 1.4367 0.9034 1.0751 1.2559 0.8105 1.3070 0.7761 1.0000 0.9110 0.6667 0.5803 1.3695 1.1585 1.3906 0.7164 0.5097 0.6127 1.1162 0.7323 1.5265 1.1835 0.4938 0.9634 1.0185 1.2348 0.9582 1.1566 0.5925 0.7255 2.0600 1.2306 0.5321 1.2364 0.8291 0.9579 0.7116 0.7588 0.9700 1.0543 2.1755 0.9019 0.9897 0.9973 0.5957 1.2363 0.7859 0.8667 gamma-glutamyltryptophan 1.1054 0.8310 1.3142 0.9071 0.9926 1.3371 1.2195 0.9679 0.6192 0.8050 1.4360 1.2999 1.0000 0.6520 1.1831 1.1218 1.4397 1.1551 1.5636 0.9678 1.5912 0.8199 1.2405 1.3558 0.9299 1.3976 0.3629 1.3898 1.3552 1.0696 0.9948 1.0930 1.4002 0.9099 0.9960 0.7694 0.9975 1.0180 1.1246 0.6244 1.3076 0.6423 0.8067 0.4743 0.6878 1.0480 1.0558 0.6722 1.2645 0.6483 1.0224 0.8036 1.1639 1.4998 0.9399 0.6165 0.7891 0.9435 1.4620 0.7364 1.1788 0.8509 1.0115 0.9636 1.0040 0.7909 0.9064 1.3649 1.1095 0.9813 0.7403 0.5542 1.4674 1.1276 0.7006 gamma-glutamyltyrosine 0.6228 0.6587 1.2114 0.6404 0.7971 1.4918 1.7969 0.8261 0.6127 0.8774 1.8517 1.2696 1.4580 0.5724 1.3609 1.1984 1.0486 0.9737 1.4572 1.0471 1.1788 0.9586 1.2974 1.4908 1.2212 0.9129 0.4911 1.5278 1.7478 0.5299 1.2966 1.7343 1.2590 0.7951 1.0000 0.8443 0.8393 1.5368 1.0062 0.9580 1.2889 1.3204 0.9047 0.8021 0.5267 1.0236 0.6387 0.7307 1.2698 1.0170 0.6953 1.1118 1.3165 1.1618 1.1606 0.6561 0.9481 0.7287 1.7990 0.2748 0.7530 0.5674 0.4469 1.0976 0.6469 1.1252 1.4491 1.2243 0.9377 0.7559 0.7070 0.8668 1.2839 0.9353 0.9127 gamma-glutamylvaline 0.4644 0.4031 1.4362 0.6430 1.4069 1.7409 1.3893 0.6922 0.8778 1.5039 1.2426 1.1062 1.0000 0.2996 1.3035 1.1279 0.9819 0.6122 2.0077 0.8074 1.8296 0.5324 1.5506 1.7486 0.8269 0.8737 0.4275 1.4506 1.6406 0.5694 0.7853 1.4911 0.8348 0.3819 1.1697 0.8867 0.8989 1.2761 0.5139 1.4778 1.3668 1.3315 0.6410 0.7963 1.0852 0.8033 0.7433 1.2932 1.0562 0.5972 0.7245 1.2811 1.9601 1.0159 1.5023 0.7835 1.2462 1.1045 0.9885 0.6503 0.9883 0.7507 0.6269 1.7618 0.5193 1.1418 1.0323 1.2048 1.8139 1.1971 0.9709 0.5446 1.7492 0.4602 0.7002 gamma-tocopherol/beta-tocopherol 0.8187 0.7776 0.9628 1.4233 0.7337 1.0770 0.9909 0.8425 0.8898 1.3617 1.4603 0.7420 0.9024 1.0645 1.6782 1.3742 0.4357 0.4801 1.2978 1.1476 1.2083 1.2177 1.8098 1.6172 0.9673 1.1028 0.8459 1.1500 1.4946 1.0300 1.0064 1.2628 1.1567 0.9240 0.4717 1.1358 0.5879 1.1860 0.6394 0.8134 0.5332 0.9776 0.5439 0.4355 1.3825 1.0274 0.4797 1.1366 0.9755 1.4899 0.5083 1.1033 0.7081 2.2811 0.6470 1.5389 0.3972 1.1287 1.8439 0.5165 1.2945 0.9999 0.4016 1.8443 1.2982 1.0270 0.6900 0.8077 0.6750 0.5237 1.0000 1.3322 0.8012 0.4644 1.1197 gentisate 0.1749 0.8973 1.0919 1.7349 1.2236 3.4716 0.9943 0.5065 1.3440 1.0972 0.4938 1.7288 0.5601 2.4483 0.5922 1.3550 0.5408 2.0485 3.6995 2.4628 0.9916 0.4445 1.6477 1.5843 0.3650 0.9253 2.9341 1.3281 1.0000 0.7084 1.3373 0.1944 0.5678 0.9480 1.6344 0.4025 2.1723 1.0505 3.7482 1.4151 0.8095 1.0849 1.7357 0.8957 0.5734 16.4401 0.5468 0.3542 2.5438 2.2046 0.4039 1.2424 3.3002 0.7794 0.8490 0.6751 0.6354 0.3515 2.3101 0.8287 1.4106 4.2077 2.1431 0.5297 0.8610 1.9175 0.8426 0.8485 0.4204 0.9141 0.4797 2.0924 0.8026 1.7786 2.1049 gluconate 0.5581 1.1615 0.6335 1.1270 1.2052 1.0121 1.1168 0.6046 1.0734 1.6284 0.9791 1.0527 1.0991 0.8442 0.9533 1.1131 1.3710 1.3709 0.7485 1.2490 0.9944 0.9477 1.2325 0.8805 1.1078 1.0780 0.9268 0.6408 0.6487 1.0135 0.7291 2.5917 0.7819 0.8629 1.3899 0.9503 1.4633 0.9170 1.2412 1.0616 0.8175 1.0513 1.3364 1.3582 0.8706 0.9737 0.6069 0.4812 1.5386 1.2869 1.0295 1.2914 0.8992 0.8124 0.6307 0.8639 1.3986 1.1232 0.8147 0.9508 0.6417 1.0026 0.9949 1.1977 0.8659 1.1251 0.9721 0.9067 0.6493 0.8958 1.4453 1.1940 1.0196 0.9090 1.0000 glucose 0.9281 1.0537 0.9839 0.9591 1.0619 1.0298 1.0574 0.9814 1.0601 1.1022 1.0629 0.9679 1.0495 1.0000 1.1468 1.0507 0.9388 1.0747 0.8019 0.9980 1.0002 1.0080 1.0126 1.0816 1.0147 0.9974 0.9166 0.8786 0.9421 0.9030 0.9318 1.2374 1.0346 1.0185 1.0788 0.9931 0.9799 1.0217 0.9233 0.9116 1.0189 1.1839 1.1153 1.0444 0.9872 1.0999 0.9273 0.9680 1.0727 0.9938 0.8977 0.8425 0.9538 0.9490 1.0641 0.8401 1.0085 0.9227 1.0505 0.8067 0.9357 0.9655 1.0078 1.4579 0.9467 1.0014 1.0627 0.9274 0.9632 1.0011 0.9591 0.9286 1.0081 0.9305 1.0072 glucuronate 1.1058 0.0933 1.2151 1.7204 1.3914 2.1397 1.8052 0.8272 0.9096 0.1062 0.5360 1.3770 0.2850 0.0584 1.2537 0.7963 1.7856 2.5421 1.3691 1.9799 1.8573 0.8076 1.0203 1.6102 0.0829 1.2264 0.1279 1.2247 1.6221 1.0543 0.7474 0.3759 0.0933 0.9433 0.4477 0.5364 0.1172 0.2015 1.6073 1.0601 1.0833 0.3461 0.0941 0.0887 0.9012 3.8715 0.8602 1.0000 1.7765 0.1184 0.1191 1.1421 1.2871 1.1249 1.2251 0.0592 0.0704 1.1542 1.3520 0.2054 1.3480 1.0021 1.6425 0.1553 0.4799 1.2763 0.6936 1.1868 1.0476 0.0746 0.9653 0.0575 0.4125 0.0879 1.4876 glutamate 0.4376 0.4458 1.0701 0.5376 0.6747 1.6842 1.4235 1.1633 1.0414 1.2927 1.9556 0.6186 1.3955 0.6766 1.0301 0.6440 0.5644 0.7349 0.3363 0.5407 1.0366 1.1487 1.0073 1.8001 1.1778 0.9065 0.6570 0.8325 1.5930 0.7719 1.0000 2.1290 1.5664 0.9898 0.9878 1.1480 0.6683 1.6748 0.7259 1.4474 0.7876 2.0988 1.2914 1.2895 1.0308 1.9549 0.4888 0.6561 1.4033 1.1253 0.5200 0.7279 0.7926 2.2149 1.4768 0.6092 1.1355 0.6878 2.2848 0.8968 0.5613 0.6650 1.1248 1.6842 0.9311 1.4852 1.5885 0.4201 0.7838 0.5482 1.2163 0.6365 1.4308 0.5437 0.9349 glutamate, gamma-methyl ester 0.9635 1.0759 1.1033 1.0553 0.9734 1.1876 0.9358 1.1182 0.7483 1.0345 1.0149 1.0292 0.9096 1.1139 0.7514 1.0672 1.0333 0.7267 0.9713 1.0267 0.9450 1.0000 1.2303 0.9092 0.8200 1.1714 0.9531 1.2427 1.4062 1.2750 1.3154 1.1578 1.2431 1.3445 0.9592 1.1435 0.9533 1.0990 0.9283 1.4136 1.0776 0.9209 1.3590 0.6164 1.0554 0.9661 0.9427 0.9238 1.3093 0.7589 0.9138 0.9672 1.0573 1.4552 1.0006 1.2678 0.9678 0.8204 1.0841 0.6499 0.8816 0.8672 1.0968 0.9590 0.7922 0.9112 1.3924 1.2845 0.8915 0.7656 0.7412 0.8832 1.0153 0.8964 0.8396 glutamine 0.8915 1.0507 0.9972 0.8647 1.0851 1.0034 1.0608 1.1128 0.9665 0.9983 1.0269 1.2438 0.8034 1.1836 0.9177 1.2466 1.0167 1.1026 1.1595 1.0239 1.0774 0.9672 1.2808 0.9234 1.0783 1.1465 1.0966 1.0810 0.8948 0.9447 1.0779 0.9578 1.0565 1.0579 0.9505 0.8689 1.0574 1.0021 0.9416 0.9584 1.1102 0.9523 0.9210 0.8418 0.7447 1.2075 0.7215 0.9349 1.1480 0.9261 1.0457 1.0452 0.9104 0.9909 0.9039 0.9792 1.1206 1.0301 1.1574 0.7225 1.0000 0.9605 0.8532 0.8484 0.7584 0.9630 1.1704 1.1672 0.9516 0.9990 0.8724 1.0945 1.0910 1.1131 0.9940 glutarate (pentanedioate) 0.7261 0.8310 0.9611 0.5198 0.7132 0.4139 1.4734 3.6394 0.9808 0.6115 0.4642 0.6598 0.6626 1.1981 1.0459 1.4630 0.8998 0.5832 0.4171 1.2264 1.3161 1.0913 4.5100 0.6031 0.7449 2.6171 0.8651 0.8645 1.0000 1.0612 0.8972 1.1280 1.7023 1.0308 1.6438 1.2476 0.4189 2.0884 0.6048 0.7338 1.4512 1.8797 1.8136 0.9728 2.3610 1.2694 0.4874 1.7271 1.4719 0.4597 0.9665 1.3509 1.0247 0.6825 3.8977 1.0197 1.5204 1.0374 1.7437 0.4797 2.2611 0.5711 0.4354 1.3496 0.5944 1.0826 0.6612 1.1568 0.9054 0.9127 0.6851 0.5471 1.2895 1.2099 0.4829 glutarylcarnitine (C5-DC) 0.9390 1.1607 1.0816 0.5263 1.3227 1.4813 1.1941 0.6494 0.6052 1.0531 0.7910 1.5602 0.9598 0.9639 0.8414 1.3895 1.8924 0.9683 1.3980 1.3258 1.4046 0.5064 0.7672 0.9070 0.6927 1.4313 0.6754 1.1688 1.0000 0.5177 0.6414 1.1114 0.7407 1.1911 1.1297 0.8979 1.2355 1.5932 0.5391 0.7062 1.3002 1.1099 0.7086 0.6634 0.6242 1.4074 0.9846 1.1821 0.7547 0.7266 1.3652 1.3490 1.7513 0.9161 1.3470 0.8533 0.7891 1.4820 1.1070 1.0629 1.0191 0.7976 0.9054 0.6653 0.9345 1.2321 1.1701 1.2984 2.0439 1.1434 0.9678 0.7778 1.2818 0.7860 0.8688 glycerate 0.7960 1.2600 0.4845 1.2329 1.2664 0.9552 0.9973 0.7248 0.8542 1.0192 1.0213 1.0000 0.9719 1.2829 1.2094 1.0279 1.2864 1.1445 1.1511 0.8177 1.0966 0.5614 0.5287 0.7169 0.9662 1.3324 1.0853 0.6593 0.6591 0.7138 0.6916 0.6104 0.7028 0.7786 1.2494 1.0113 1.1601 0.9529 1.3801 0.9933 1.1012 1.0237 1.2386 0.9064 0.7416 1.0992 1.0611 0.6423 1.5744 0.9106 0.9113 0.9403 1.3088 0.8736 0.9153 0.8685 1.3461 1.2035 0.4804 1.2464 1.0122 1.2003 1.2903 0.6049 0.8356 0.7378 0.7384 0.7635 1.1065 1.4992 1.5144 1.2892 1.1428 1.3988 0.9581 glycerol 1.6805 1.2697 0.4438 1.2747 0.5894 0.5490 0.3588 0.9656 1.1215 1.1053 0.4989 1.1169 1.1806 1.3124 0.9224 0.8540 1.2300 1.5271 0.9332 1.6009 1.1667 1.5017 1.4863 0.8984 1.0000 1.3239 1.0954 1.2990 0.9194 1.1294 1.6925 0.6720 0.6727 1.7468 1.7206 0.8835 1.3394 0.4606 1.3678 0.9804 0.6621 0.4192 1.3275 1.4250 1.3983 0.5257 1.2949 1.0005 0.6130 0.8579 0.9875 1.9204 0.3575 1.5632 0.4990 0.8183 0.4418 0.9847 0.5156 0.9915 3.6217 0.6252 0.6289 0.7781 1.1199 0.6133 0.5483 1.2323 0.7165 1.0989 0.9722 1.3231 1.1246 2.7766 0.8812 glycerol 3-phosphate 1.2367 1.0459 1.0633 1.3024 1.6584 0.8866 0.8659 1.3133 0.6868 0.8929 0.6307 1.0247 0.6452 0.4339 1.0000 1.0910 1.1739 1.1502 1.9621 0.6355 1.5899 0.5028 1.5386 0.9730 1.0474 0.8343 0.7138 1.1145 2.1163 0.8767 1.3512 0.9451 1.2872 0.9503 0.9518 1.1002 0.9731 0.7341 0.3090 0.6895 1.3038 0.5567 0.6771 0.3322 0.6249 0.8481 2.1678 1.1106 0.8559 1.7972 1.9409 1.2989 1.4230 0.8668 1.1393 0.6805 1.2159 0.8819 1.8059 0.9483 0.7107 1.7804 1.8991 1.0768 1.3954 1.3878 0.7285 1.3575 0.9058 0.9019 0.4898 0.7982 1.0943 0.4439 1.4468 glycerophosphoethanolamine 0.6183 0.5841 0.9639 0.7365 1.1378 1.2091 1.0324 1.0528 1.1425 1.2134 0.8940 0.8589 0.7287 1.1106 1.4253 1.1475 0.9957 0.8820 0.7432 1.0211 0.9159 1.0061 1.0213 1.2993 0.8970 0.9706 0.9415 0.7801 0.8947 1.4156 1.3948 1.2065 0.9593 0.7648 1.2127 0.7344 1.0442 0.9942 1.1383 1.2945 1.2117 1.1845 0.8186 1.1179 1.2474 1.4700 0.8513 1.2378 1.1800 0.9910 0.7554 0.8142 0.7495 1.1631 0.9074 0.8089 1.7299 1.0232 1.2613 0.7469 0.8629 1.0998 0.8674 0.9906 1.0826 1.0649 1.2766 0.8132 0.9754 0.5958 1.5469 0.8255 0.8618 1.0000 1.0242 glycerophosphoglycerol 0.3461 1.5576 0.3461 0.6351 0.3461 1.8047 0.8648 0.3461 0.3461 0.3461 0.4163 0.3461 0.3461 0.3461 0.8233 0.8086 0.6546 2.5897 0.3858 0.3461 0.3461 0.5954 0.5761 0.7305 0.3461 0.3461 0.6236 6.0975 0.3461 0.3461 0.4222 0.3461 1.7150 0.3461 1.8185 0.6021 1.6014 1.3981 42.8181 1.4434 0.7732 1.0926 0.3461 0.3461 0.3461 0.3461 0.3461 0.5752 1.9029 1.0174 0.3461 0.3461 1.5483 1.0328 0.3461 0.4834 2.2723 0.3461 0.7919 0.3461 0.3461 1.6606 2.8685 0.6795 38.0625 0.5557 1.0000 0.8222 1.1354 0.7699 0.9298 1.3042 1.0991 1.0365 0.3461 glycerophosphoinositol* 0.7041 0.6601 0.5036 0.8331 1.9169 1.6947 0.8481 0.5089 0.5102 2.2024 1.6009 1.3003 1.4214 0.8154 0.5321 0.8850 1.6238 2.1239 0.8870 1.2721 2.6575 1.4061 2.6652 0.8711 1.2862 3.4876 0.9358 0.1264 0.3349 1.9637 1.0756 1.2539 1.3647 1.0530 1.0000 0.2848 2.9266 0.4879 2.3683 1.5595 0.3739 1.6604 2.1250 2.7813 0.9398 0.8928 0.6516 1.3408 0.5468 1.0557 0.2008 1.0070 1.2845 0.6250 0.9229 1.6787 0.9687 0.7085 0.1203 1.8619 0.9167 0.5596 1.2785 1.1526 1.4752 0.5143 0.5065 1.6456 0.3338 0.5882 1.2586 0.6182 0.7376 4.4742 0.3945 glycerophosphorylcholine (GPC) 0.4252 0.5674 1.0601 0.7439 1.3359 1.0435 0.8951 0.9259 0.9976 1.2117 0.7731 1.5069 0.6500 1.4837 1.7788 1.3824 0.8743 0.9730 1.0696 0.8058 1.2235 0.7759 1.0527 1.1314 0.9469 1.0309 0.9426 0.8096 0.6741 1.1545 1.2379 1.0590 1.2828 0.8464 1.0488 0.6435 0.8406 0.7512 1.1717 1.0065 1.2785 1.4302 1.1645 1.1238 1.1144 1.8172 1.0889 1.0035 1.2428 1.0931 0.6056 0.8074 0.9978 1.0161 0.8936 0.7512 3.0011 1.4397 0.9975 0.6522 1.0000 0.9322 0.7281 0.9182 0.7083 1.0906 1.0052 0.8217 0.8160 0.6048 1.4426 0.8330 0.8751 1.2017 0.9689 glycine 0.8252 0.9493 1.0773 1.3616 1.2313 0.9174 1.1537 1.0378 1.3705 0.9076 0.8049 1.3435 0.8296 1.0580 0.8637 1.5558 0.7678 1.9244 1.0000 1.4902 0.9572 1.0785 0.9623 0.7788 0.9114 0.9013 1.1400 1.0233 0.7053 1.5912 1.2376 0.9099 1.0483 1.3425 0.8518 1.2499 0.9824 0.7646 1.1245 1.2216 0.9463 0.8523 0.8714 0.8302 0.9091 1.2058 0.7251 0.9572 1.6022 1.1490 1.0219 1.0124 0.9127 1.1789 0.8237 0.9742 0.8317 1.4285 1.2735 0.4770 1.6639 1.0861 0.7278 0.7374 0.6812 0.8573 1.0275 1.0160 0.8784 0.8629 0.8247 1.5084 1.0289 1.4060 1.4632 glycochenodeoxycholate 0.3691 0.9384 1.8620 1.2609 0.6688 0.7395 1.4852 1.5602 0.9946 1.9766 0.7266 0.7159 0.6525 2.0656 0.5856 0.4242 0.6595 1.0816 1.3824 2.2340 0.4411 1.0168 1.2905 0.7250 0.7050 0.6051 0.5863 0.9922 0.9657 2.2057 1.0000 3.7763 0.9561 1.2915 1.1046 2.5719 1.1631 0.5644 2.0220 4.5670 1.9815 0.1037 0.1031 1.5649 1.5794 2.8670 1.4104 0.5236 5.4149 1.3427 0.9195 1.6826 0.5883 0.2272 4.4843 0.2508 4.5768 0.9520 1.5308 1.4512 2.7186 1.8537 0.4630 0.6948 1.1941 0.7470 0.4334 1.6731 0.5874 0.3800 0.9142 0.7158 0.6903 2.8764 4.8268 glycochenodeoxycholate glucuronide (1) 11.1034 1.3065 0.6381 2.7784 0.8397 1.0633 1.5649 0.4302 0.2481 0.7788 1.6129 0.2398 0.8724 1.4889 0.7227 0.9054 0.4855 1.3992 1.3610 0.6682 1.0966 0.1954 1.0506 0.4668 0.1892 0.7118 2.0056 0.9390 3.1821 0.6091 0.9288 3.0471 1.7441 0.9204 0.4202 0.9570 2.1441 2.4374 1.2493 2.2607 11.8012 0.5529 0.3966 1.1982 0.8526 9.1358 0.4717 1.0000 3.4673 0.5513 1.4602 1.1572 0.5345 0.5431 1.8074 0.8232 3.9040 0.7964 1.7881 3.4197 0.7341 1.0159 0.9349 0.4872 1.7656 1.7360 3.2589 0.8754 0.8471 0.7893 2.2522 0.4467 2.2940 2.1483 1.0996 glycochenodeoxycholate sulfate 0.7431 1.4306 0.9465 4.8174 0.1606 0.6951 1.6282 0.9802 0.4668 1.4554 0.9288 0.7411 0.3247 1.3802 0.2958 0.4472 0.6328 0.6151 0.8345 0.5803 1.5925 0.9473 0.7287 0.3602 1.0198 1.1559 1.4872 1.4472 3.9827 1.2625 0.9117 2.1785 1.1256 0.6657 0.9557 1.5749 3.6865 1.9019 1.0903 2.0056 1.4697 0.2422 0.2739 0.9166 1.8786 1.7360 0.6365 0.2106 3.5307 0.2788 0.0628 1.3756 1.0732 0.0628 3.8556 0.8569 4.8173 1.7938 1.5536 2.0888 3.6849 3.1862 0.4898 0.9430 1.2125 0.8988 0.9767 2.2811 1.1505 0.9103 0.6540 0.6356 0.4947 1.1188 5.4434 glycocholate 0.5110 1.8567 1.0265 2.0462 0.2790 0.4865 1.8767 0.8171 0.7471 1.9417 0.9617 0.6407 1.3592 0.9922 0.2135 0.4961 0.7777 1.1691 1.8252 2.8344 0.3605 1.1677 1.2598 1.2609 0.6586 0.4706 0.4043 0.9374 1.4822 1.1925 0.7145 5.8832 1.3797 0.8506 1.2042 3.4295 0.7818 0.7970 1.1577 3.1809 1.0000 0.2391 0.0966 0.4747 1.9092 5.1664 1.1224 1.1320 4.8352 0.4772 1.1062 0.9281 1.6148 0.2820 4.9884 0.3734 4.0274 0.7102 1.1554 0.5933 1.0822 0.9857 0.8672 0.7146 2.2294 1.2660 0.2470 1.1960 0.7267 0.3540 0.8544 0.9781 1.1091 4.7384 6.4073 glycocholenate sulfate* 1.2167 1.3634 0.9362 1.0754 1.2822 1.8050 1.0142 1.2939 0.5224 0.8262 1.1978 0.9176 1.1348 1.1006 0.7603 1.2559 0.6014 0.9442 0.6391 0.6588 0.8701 1.0018 1.0000 0.6326 0.7450 0.7789 0.9093 1.0682 1.5963 0.6580 1.5016 1.5410 1.1403 0.6907 0.3150 0.8421 0.8920 2.3882 0.8879 1.0003 1.5915 1.5794 1.2625 1.5113 1.4410 1.1304 0.5080 0.9823 0.8031 0.4031 0.7562 1.2105 0.5680 1.2956 0.8764 1.0291 1.0095 1.2060 1.4193 0.6446 0.9133 0.7486 0.6215 0.6497 0.6875 1.0670 1.9929 1.4461 0.8905 0.3486 0.5461 0.8276 1.4813 1.3552 1.2446 glycodeoxycholate 0.7782 1.3877 0.1564 2.2131 0.9721 0.9966 1.9317 0.9970 0.4152 2.6485 1.0504 0.2428 1.5795 1.2395 0.7168 1.0771 0.2392 5.7480 2.2290 5.4540 0.4286 0.7039 1.0194 0.7831 0.1564 0.4807 0.4913 0.1564 0.5326 2.3452 1.0030 8.3261 1.1477 0.9562 2.4364 4.3849 0.9118 0.3348 0.6096 3.3453 1.3809 0.1564 0.2023 1.6726 0.7689 5.5269 0.1564 0.7953 3.9075 1.2500 1.6110 1.7230 1.1432 0.7470 2.8228 0.3498 5.5337 0.3936 1.4332 2.3305 0.7524 0.8926 0.5435 0.1564 0.7406 0.5680 0.7407 0.3448 0.8577 0.2175 1.1853 1.1084 0.8439 2.6164 1.5748 glycodeoxycholate sulfate 2.6491 2.1790 0.2229 4.4385 0.4170 0.6417 1.4487 0.5924 0.2331 1.2938 0.4171 0.2440 0.5783 0.7103 0.4751 1.2216 0.2229 1.5669 1.2995 0.9113 1.4193 0.5409 0.4523 0.3988 0.2229 0.8315 1.7338 0.2229 1.3983 1.2942 0.7733 2.3892 1.0831 0.7263 1.7066 1.9866 4.4794 0.9626 0.4773 1.8272 2.9305 0.3203 0.5724 1.0058 1.3213 3.7931 0.2229 0.3551 1.9052 0.3987 0.9724 1.1093 2.1492 0.2884 1.2011 0.9829 3.3798 0.6314 1.2838 4.0439 0.7190 1.9958 0.5445 0.2229 0.7793 0.7080 1.6218 0.4569 1.3392 0.7389 1.0004 0.9996 0.4281 1.4262 1.2388 glycohyocholate 0.2565 0.6987 0.9243 1.4401 0.2565 0.3421 1.1826 2.0176 0.8806 0.6998 0.4470 0.4614 0.2565 0.3784 0.2565 0.6262 1.2858 2.0934 1.3040 2.7845 0.4274 0.8017 0.7417 0.2810 0.4696 0.5399 0.8098 1.7404 1.1165 2.4374 2.2704 0.6054 0.2565 1.8568 0.7574 4.9957 1.5052 1.9110 1.0924 4.9903 1.9420 0.2565 0.2565 1.0000 5.3936 1.1777 2.2100 0.2565 5.1647 0.2565 0.3667 1.8428 1.9685 0.2565 4.4482 0.4457 3.7908 0.7967 1.2139 0.8831 1.8975 4.7016 0.6706 0.3564 0.8197 0.9786 0.3093 1.7000 1.3279 0.7922 0.8142 0.7721 0.2565 0.9922 5.4040 glycolithocholate 0.1953 1.3387 0.1953 2.1280 0.9814 1.2093 0.9946 1.0503 1.2697 0.9049 1.0054 0.6317 0.4661 1.4482 2.4221 1.5363 0.2303 0.9571 2.5189 2.2849 0.1953 0.5360 0.6418 0.6466 0.1953 0.9846 0.5959 0.1953 0.1953 2.2234 0.8858 7.8314 0.1953 1.9330 0.8524 0.1953 0.3748 0.1953 1.4653 1.7818 0.9841 0.1953 0.1953 2.6596 0.1953 4.0059 0.1953 0.5151 1.5627 1.1459 1.0344 0.4568 0.6418 1.1530 2.8027 0.3142 1.6355 0.1953 2.7593 0.6533 0.1953 1.7200 0.3203 0.1953 0.1953 0.1953 2.6540 0.2597 0.1953 0.1953 0.5561 0.9148 0.5014 0.7395 4.1075 glycolithocholate sulfate* 0.5237 3.0017 0.0340 3.9742 0.6471 1.4158 1.3410 0.5878 0.5020 1.1286 0.9853 0.4777 0.8170 1.6187 1.0621 1.4293 0.8279 1.5577 2.5786 1.9241 1.0789 0.9243 0.4459 0.6956 0.0222 0.9394 2.5245 0.0864 0.9711 0.7125 0.5955 2.8049 1.3741 1.1073 0.8353 1.0296 2.5492 0.5703 1.4325 1.3514 1.3360 0.4253 1.1641 1.7803 0.1797 3.5838 0.0717 0.2472 1.3247 0.6837 1.3089 0.3793 1.2001 0.5691 3.1694 1.0000 4.3250 0.8343 1.5233 1.9487 0.2673 2.6571 0.5610 0.0163 1.4565 0.4229 2.1796 0.4227 0.7453 0.9946 1.2131 0.9715 0.9832 1.4210 4.2734 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* 1.4306 1.1060 0.8864 1.4244 1.3124 1.6038 0.8771 1.0702 1.5569 0.5150 1.4321 0.9345 1.2675 0.9164 1.0281 0.9957 1.7062 0.5707 1.0850 1.1816 0.5230 1.1937 0.8064 2.4956 0.5725 0.7678 0.8722 2.0071 0.9107 0.6048 1.0316 1.1476 0.3718 0.7223 1.2155 0.6525 1.3577 0.3273 1.3039 0.8721 0.7803 0.6899 0.9799 0.9140 0.4462 0.8745 2.0422 0.9878 0.9709 0.5348 0.5608 1.6540 0.4212 1.6990 1.8251 0.7877 1.0204 1.7432 0.6790 0.6647 3.4162 0.9194 1.6312 1.0766 1.3238 0.8372 2.6279 1.8740 1.6928 1.5455 1.1326 1.0000 0.6201 1.2020 0.6509 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* 1.1409 0.9446 1.0462 1.2047 1.7955 1.1949 0.7103 1.2146 1.2165 0.7234 1.2132 0.9223 0.8537 1.1301 1.4149 0.6597 1.9269 0.8464 1.1541 0.8435 0.7272 1.0142 0.7686 1.4118 0.8105 0.6176 0.9922 1.5633 1.1117 0.7675 1.2542 1.2380 0.4245 0.8170 1.6051 0.9295 0.9900 0.4098 1.3528 1.1715 0.9115 0.8756 0.6889 0.8535 0.4168 0.9007 1.2945 0.9620 0.8982 0.7450 0.8556 1.2051 0.7435 1.0176 1.0092 1.0014 1.0446 1.4353 1.0153 0.7619 1.0933 1.0752 1.1092 0.8975 1.1159 0.8766 1.2055 0.9870 0.8350 1.2594 1.0683 1.0162 0.9472 0.7722 1.0000 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* 0.7518 0.2298 1.0289 1.1690 2.0585 0.6566 0.1918 1.5704 1.7698 0.7671 1.0429 0.6992 0.2852 1.2943 1.0284 0.7568 1.6340 0.7520 1.3879 1.1656 0.9510 0.9459 0.8716 0.9047 0.8504 0.8255 1.4148 1.8442 0.6645 0.9006 1.0722 1.2138 0.1322 1.0627 1.8185 0.8704 1.0965 0.5367 1.4884 1.4936 1.2128 0.5215 0.6610 1.1884 0.2666 0.9968 0.8859 1.2621 1.0000 0.4990 1.0022 1.1542 0.2717 0.8396 0.5720 1.1053 1.2542 1.3241 1.3615 0.8070 1.0744 1.0752 0.8525 0.9844 0.8185 1.1080 2.2269 0.7537 1.3220 1.2918 1.4843 0.8454 0.5928 0.6657 1.2097 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* 1.3084 1.0667 1.1677 0.7778 1.3162 0.8263 0.6786 1.2007 1.3543 0.6875 1.0394 0.6670 1.0768 1.0794 0.8345 0.9630 1.3331 0.8668 1.0191 1.2323 0.7647 1.2539 1.0000 0.8783 0.6572 0.9999 0.8665 1.4214 0.9617 0.9748 1.3263 1.2702 0.6315 1.5804 1.0329 1.0502 1.1927 0.4915 1.1025 1.0636 0.8786 0.6721 0.7818 1.3247 0.6261 0.9331 1.9695 1.2021 0.9009 0.7088 0.7276 1.3904 0.3400 0.9365 1.0504 1.4090 0.7782 1.6426 0.9651 0.9054 1.6707 0.8844 0.6962 0.8274 0.9156 0.9290 1.9691 1.3382 1.2848 1.2366 1.2992 1.0319 0.4197 1.0125 0.9451 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* 1.0227 0.7951 1.0683 0.8348 1.6265 0.7991 0.6050 1.2908 1.1720 0.6886 1.0730 0.9124 0.7805 1.2660 1.1956 0.7373 1.3641 1.2105 1.0570 0.9007 0.6713 1.1510 1.0139 0.9688 1.1630 0.7994 1.1039 1.5059 1.2458 1.0000 1.6575 1.2004 0.5212 1.1864 1.1644 1.1718 0.9729 0.5493 1.3689 1.1782 0.9191 0.8482 0.9004 0.9930 0.5584 0.9978 1.2308 1.1120 0.8928 0.7082 0.7703 1.0387 0.6252 0.8841 0.7815 1.1202 0.9098 1.6067 1.1528 0.8277 0.8973 1.3065 0.7642 0.8369 0.9818 0.9654 1.2170 0.8596 1.0399 1.0950 1.1040 1.1602 0.7918 0.7604 1.0054 glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 1.0353 0.9922 1.1244 0.9288 1.7450 0.9778 0.9436 0.9826 1.3583 0.6912 0.9496 0.8805 0.8537 0.9591 1.1056 0.9984 1.3826 0.1503 1.3798 1.0026 0.8390 1.0935 0.9611 0.7822 0.7319 1.0581 0.7496 1.8602 0.9119 0.8607 1.0016 1.2793 0.5428 1.3633 1.3948 0.7589 1.3687 0.5680 1.4742 1.0554 0.9142 0.7347 0.9288 1.4552 0.6330 1.3369 1.7917 1.1656 0.9302 0.7516 0.8703 1.3425 0.1503 0.8035 1.1311 1.4511 1.0512 1.3633 0.9409 0.8617 1.3481 1.1600 0.6899 0.7466 0.7558 1.1494 2.0505 1.1907 1.5651 1.0700 1.4799 0.9232 0.6653 1.0611 1.0571 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.9485 1.0406 1.0909 0.7678 1.0627 1.0199 0.9318 1.0600 1.1613 0.7875 1.0764 0.7827 0.9262 0.8727 1.1992 1.0366 1.5376 0.9583 1.0505 1.1801 0.8515 1.0764 1.3272 1.0050 0.7632 0.8199 0.8232 1.3545 1.1658 0.9063 1.0552 1.1065 0.7073 0.9896 1.0770 1.0460 1.0000 0.5166 0.9114 0.9235 0.9606 0.8824 1.2802 1.3594 0.7623 1.3334 1.4160 1.1011 0.7888 0.9932 0.8058 1.1676 0.4928 1.1595 0.9344 1.0927 0.8337 1.3710 0.9902 0.7353 1.1553 1.0501 0.7663 0.9726 0.9005 0.8396 1.0930 0.9048 0.9350 1.0272 1.4296 1.0102 0.8533 0.9797 1.0169 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 1.0932 1.1497 0.9834 1.4009 1.8998 0.9707 0.6929 1.2157 1.2519 0.8794 0.9888 0.8811 0.8073 0.9390 1.1962 0.7635 2.1477 0.8966 1.0898 1.1411 0.8605 0.8520 1.1235 1.3855 0.8027 0.6479 0.8904 1.8985 0.8971 1.1542 1.2264 1.8555 0.4304 0.8438 1.7597 0.8970 1.2243 0.3801 1.1932 1.5337 0.7662 0.8763 0.7509 1.1130 0.5708 0.8060 1.6093 0.9215 0.8857 0.7504 0.9669 1.6201 0.3017 1.2256 0.8037 1.1552 1.0751 1.5871 0.8885 0.8278 1.3467 1.0700 1.0325 1.1486 0.9798 1.0701 1.3927 1.1237 0.8055 1.1081 1.5910 1.0000 0.8937 1.2292 0.9234 glycoursodeoxycholate 0.2510 0.4447 3.8858 0.6490 0.2868 1.0000 1.9937 0.6774 0.9871 3.8329 0.6135 1.0961 1.0028 1.2725 1.0937 0.5394 0.2579 0.5844 0.7529 0.4235 0.5746 2.7224 0.3088 0.4602 0.2341 1.0607 0.4302 1.6458 0.8693 1.0985 0.7405 2.4116 0.5220 0.7527 1.7527 11.4692 0.5672 1.8283 0.3819 3.7218 5.8083 0.1022 0.1074 0.6253 8.1994 3.1056 0.2488 0.3037 10.1435 1.7987 0.2243 3.5180 0.2490 0.4770 3.1174 0.4754 3.7160 1.6817 2.1807 1.5049 7.5412 1.0511 1.1198 3.1142 1.0744 2.1256 0.4777 2.0536 0.9727 0.1903 0.3661 1.0823 0.2430 2.2770 1.5969 guanidinoacetate 1.0118 1.0342 2.2568 0.6592 0.8569 1.4770 0.6030 1.6829 0.6099 0.5265 1.6859 0.9835 1.1227 1.7494 1.1100 1.9680 0.5192 1.1178 0.9109 1.2930 0.8484 1.1796 0.9453 1.3397 0.7588 0.8800 1.8770 0.6553 1.2464 1.9941 1.5700 1.0000 1.3611 1.7581 0.6885 1.2216 0.6033 0.8916 0.8510 0.6001 1.6975 2.3451 1.6481 0.6196 0.6682 1.0618 1.1754 1.0843 1.2368 1.0774 0.5518 0.7422 0.8673 1.2847 1.5156 0.5908 0.4516 1.6763 0.9596 0.4955 1.3513 0.9738 0.9288 1.1957 0.7920 0.7182 0.9242 1.5688 0.8949 0.9750 0.9618 1.1455 0.7796 1.6701 0.6360 guanosine 1.0461 0.5105 0.5105 0.8349 0.5105 1.0741 0.9008 0.5105 0.5105 0.5105 0.8334 1.1627 1.2294 0.5105 0.5473 0.5105 0.5105 0.5105 0.5105 1.3911 0.5105 1.2644 0.5105 0.5105 0.5105 0.5105 0.5602 0.5953 0.5105 1.7132 1.8097 0.7875 0.5105 0.8251 0.5105 0.5105 0.5105 0.6928 1.4497 1.6260 1.2150 0.8435 0.5105 0.5105 2.0636 1.0873 0.6056 0.5105 1.2926 0.5105 0.8117 0.5105 0.5105 1.5249 0.5105 0.5105 0.5105 1.1227 0.5105 0.5105 0.9908 1.0000 0.6922 0.5105 0.5105 0.5105 0.5953 1.1129 0.5105 0.5105 1.0472 0.5105 0.5105 0.6508 0.7031 gulonate* 0.5917 0.9357 0.8591 0.9995 1.7422 1.4522 1.4971 0.7139 0.7857 1.2489 1.0197 1.2951 1.2115 0.6927 1.2406 1.2587 1.2871 1.1744 1.0001 1.1247 1.1307 1.5013 1.2990 0.8908 0.9877 0.2981 0.8222 1.0484 1.1122 1.0830 0.7993 0.2981 0.7999 0.6509 0.7527 0.2981 0.9518 0.7645 1.3828 1.0227 1.1900 0.9358 0.7828 0.9747 0.7878 1.1756 0.6921 0.8763 1.6065 1.2899 1.0775 1.2469 1.2721 0.9980 0.8780 0.9083 1.1461 1.2744 0.9999 0.3685 0.7459 1.1471 1.0241 0.7063 1.0557 0.9565 0.7873 0.8432 1.0462 0.8138 0.9292 1.1299 0.2981 0.8458 1.0427 heme 3.5691 0.6954 1.8999 7.2796 3.0128 2.6193 0.8434 0.6986 0.4405 0.3722 0.8834 0.9576 2.2167 1.4026 1.1780 0.4348 0.9913 0.1969 0.6582 0.3490 0.1969 0.6418 2.9202 1.1149 0.2244 0.1969 11.9885 33.0395 2.6549 10.4794 0.5453 1.0337 0.8507 1.3900 0.6664 1.2992 1.9221 0.3843 0.1969 0.1969 1.4039 0.1969 0.1969 0.3130 0.4803 0.3812 4.5598 0.7215 0.1969 0.7647 16.9830 0.5646 0.1969 7.1226 0.1969 1.9455 0.1969 5.3112 1.5765 0.1969 0.4086 19.2550 0.4226 0.5121 0.3815 1.7228 1.0087 3.6293 1.6865 0.4145 0.3423 0.5221 0.1969 0.1969 7.2398 hexadecanedioate 2.2625 0.9311 2.3522 1.2912 0.6559 0.8188 0.4965 1.1474 1.2632 0.4274 0.7732 0.8977 0.5773 0.6040 1.1838 1.0861 1.1105 1.6151 0.5150 0.4834 1.3026 0.4554 1.0431 0.5159 0.5059 1.1657 1.0563 1.1834 0.9171 0.8542 0.8196 1.0000 0.5002 1.0029 1.5484 0.5356 2.2501 0.6455 1.9483 2.7299 1.8012 0.3957 1.7107 0.8662 0.7684 2.4858 0.8580 0.4446 0.7106 0.7508 1.1305 0.8340 1.0727 1.0272 1.1182 1.5365 0.7893 1.0684 0.6061 3.8318 2.2125 0.5619 0.5964 0.5925 0.5195 0.4206 1.0979 1.3136 1.2398 1.0855 0.4966 0.5110 1.4093 1.6877 1.0061 hexanoylcarnitine (C6) 0.8055 1.1738 1.2331 0.4228 1.1046 0.8765 0.9395 0.6776 1.4321 1.3483 1.4557 1.1762 1.0445 2.6759 1.4362 1.0000 0.7293 1.1470 1.0463 0.8515 1.1342 0.8428 1.7877 0.9930 1.3969 0.8644 1.6625 1.0725 2.0923 0.8480 0.8550 0.9657 0.8196 1.6005 0.7733 0.8539 1.1888 1.0541 1.1020 1.5977 0.9550 0.9682 0.8094 0.8856 1.1430 1.3033 1.0413 0.6560 0.8575 0.6114 0.7975 1.0511 0.5941 0.7549 0.8422 1.0834 0.7898 0.8584 0.6508 1.5924 1.0051 0.5976 0.6409 0.8728 0.5453 0.8297 1.5304 1.4075 2.0176 1.0943 0.5071 0.8795 1.8531 1.5495 1.0494 hexanoylglutamine 0.7368 1.2544 1.2930 0.5532 0.5095 0.5510 0.4982 0.6927 2.1387 1.4453 0.4814 1.3040 1.4700 1.3111 2.3775 1.2848 0.4195 0.7984 0.7328 0.7510 1.2604 0.4418 2.2643 0.3205 1.4743 2.1590 1.9031 1.7272 2.7526 2.4415 1.1979 1.6485 0.4149 0.9415 1.0666 0.5083 1.2541 0.5841 1.2642 2.9040 1.4064 0.5194 1.3256 0.4937 1.4786 1.5101 0.6878 0.2671 1.1307 0.2179 0.5646 0.3352 1.0000 1.4080 0.6016 3.0314 1.1941 1.2181 0.2993 5.1794 4.7349 0.4382 0.2330 0.2220 0.2228 0.1379 0.9967 1.7638 0.8663 1.3609 0.0970 0.5890 0.8920 2.0894 0.2819 hexanoylglycine 1.0405 0.3186 0.9642 0.9342 0.7864 0.3186 0.6596 0.3186 3.3974 1.3258 0.5021 1.1540 0.9963 0.9041 1.7611 1.5439 0.6218 1.5244 1.0703 1.3973 0.6478 0.3186 0.3921 0.3186 0.5747 0.9015 0.3186 1.0437 1.0164 1.2496 1.2311 0.4510 0.3186 0.3186 0.6371 0.8287 0.3186 0.3186 0.3186 1.8731 2.1862 0.3186 1.0563 0.3186 0.5667 2.0109 0.8910 0.3186 1.2354 0.3186 1.8620 0.5345 1.7245 0.7791 0.4821 2.8884 1.0037 1.5297 0.3186 0.4387 1.2427 0.3936 0.3186 0.3186 0.3186 0.3186 0.4076 1.5215 1.1804 0.4978 0.3186 0.3186 1.3522 0.9447 0.6143 hippurate 0.1736 0.7637 0.2559 1.8908 3.1130 1.2100 1.1657 0.2565 0.5221 1.2493 0.3057 1.3049 0.7837 0.2781 0.4220 3.9498 1.2225 2.5062 1.1288 1.5210 0.4721 0.3145 0.5439 1.4157 0.0776 0.6561 1.1961 0.9628 0.9068 0.7312 1.3114 0.2562 0.6956 0.8275 3.8387 1.1534 1.5785 0.5994 2.4104 0.4027 1.4050 0.9884 1.2294 3.3621 0.4016 3.7658 0.2775 0.6281 0.6460 0.7451 0.6643 1.5609 2.6573 0.5941 2.8785 0.1721 0.7157 1.3997 1.6127 0.2672 0.4177 2.9310 2.4307 1.0889 1.3801 1.0522 1.2354 0.8371 1.6758 0.6865 0.3816 1.2831 1.0000 1.1692 1.6932 histidine 1.2767 1.1451 1.1237 1.0250 0.9988 1.1401 1.0137 1.0683 0.9021 0.8208 1.0542 1.2658 0.8690 1.0156 0.9593 1.0714 1.1301 0.9574 1.1808 0.9983 0.9758 1.0749 1.0278 0.7682 1.1218 0.9959 0.9580 0.9221 0.6905 0.7931 0.9219 0.9043 1.0632 0.9302 1.1394 0.8504 1.1427 1.0196 1.0000 0.9447 1.0350 1.0895 0.9735 0.9271 0.8781 1.0225 0.8991 1.0134 1.1154 0.9215 1.2438 1.0397 0.8827 0.7528 0.8604 0.8763 0.8775 0.8306 0.9857 0.6893 0.7885 0.9927 1.1497 0.9453 1.1229 1.0856 1.1215 1.1100 0.8685 1.1740 1.1125 0.9942 1.1493 1.0438 1.2065 homoarginine 1.3779 0.7453 0.7766 0.3491 0.7424 0.8529 0.8739 1.3411 0.4436 1.0246 1.2826 1.4060 1.1852 0.9661 1.5066 0.7671 1.8238 0.5082 1.0082 0.6023 0.9485 0.6299 2.0252 1.2352 1.4864 0.6048 0.8213 1.1261 1.7341 0.5266 0.8040 1.4758 0.7073 1.0593 0.9125 0.6538 1.0067 1.3034 0.2653 0.9996 1.0766 0.9607 0.7101 0.6972 0.5613 2.2680 2.0637 1.9037 0.4067 1.1583 1.4707 0.9115 0.6745 0.6506 1.1588 0.6446 1.0000 0.7411 1.2957 2.0415 0.6062 1.1357 1.1502 1.6544 0.5859 1.1853 1.1741 0.9555 1.1769 1.3614 1.8116 0.4942 1.3461 0.6662 1.0795 homocitrulline 4.3897 1.4781 1.3992 1.0842 0.1330 2.1226 0.4229 1.0294 0.8455 0.2353 0.9487 0.5315 2.1061 0.6824 1.3297 2.1878 2.3210 1.4310 0.7204 1.9850 0.7678 1.0417 0.4765 1.6254 0.1330 0.4411 0.9390 0.3369 0.9685 1.9660 5.0841 0.2111 1.1938 0.7627 0.6867 0.6319 1.2546 0.6943 0.7324 0.7468 1.7129 0.9323 1.9644 0.8634 0.7103 0.6756 2.5188 1.0435 0.5919 1.5752 0.6430 0.1330 3.3498 1.3190 1.5396 0.1330 0.9095 1.2748 0.8537 1.3512 0.8939 1.0869 3.9955 0.9706 5.3450 0.6947 0.4483 1.3398 1.4338 2.0019 0.4813 1.3327 0.2791 1.3562 0.2552 homostachydrine* 0.4412 1.8770 0.9755 0.7640 1.3584 1.1443 3.4664 1.5545 0.8325 1.5305 1.0783 0.4715 0.8170 1.1116 0.4198 0.9503 1.1778 1.9283 1.1839 0.4623 1.3091 1.2397 1.0132 1.7636 3.0007 0.5615 1.0425 2.5397 0.9790 0.8595 1.3160 0.7395 2.1507 1.1069 1.0454 0.8602 0.7503 0.5655 0.9784 0.4373 2.3632 1.5137 1.3832 0.5197 0.5460 2.6358 0.5592 2.0969 0.5416 1.0713 1.6021 0.5868 0.8059 0.6381 1.9912 0.5823 1.4177 0.5019 0.9719 0.4160 0.5216 1.4176 0.6701 0.6714 2.1265 3.7300 2.9907 1.0000 0.6176 0.8780 0.2925 1.0152 0.5811 1.3262 0.8513 hydantoin-5-propionic acid 0.3448 0.2794 0.9958 0.2794 0.9712 1.6951 2.0712 0.6998 1.2846 0.9438 1.5241 1.6124 1.1040 0.3837 1.1909 1.6888 0.9653 1.0872 1.3264 0.9095 1.1209 1.0759 0.7550 1.6644 0.8033 1.5951 0.2794 1.7580 1.1515 0.2794 0.5906 2.5210 0.2794 0.2870 1.1434 0.4216 0.7893 1.5615 0.2794 1.3984 1.6887 1.1225 1.4928 0.9125 0.9104 0.5326 0.4636 0.5982 0.6690 1.2449 0.6336 0.9801 2.2196 1.4171 0.8244 0.6623 1.0042 1.2805 0.6479 0.4779 0.2794 0.4323 0.9572 2.4039 0.7921 0.8676 1.3892 1.1502 0.9409 1.2096 0.5684 1.1563 1.4684 0.2794 0.7157 hydroquinone sulfate 0.9744 0.7967 1.0652 1.4314 0.1953 0.8139 1.7299 0.5009 0.1695 0.7996 3.1172 2.1703 2.0334 1.3947 0.5154 2.0357 1.6849 0.8234 0.1323 1.7319 0.9083 1.2815 0.5737 2.5277 0.7277 0.2447 1.0198 0.8016 5.6205 0.7805 5.5073 0.4201 1.4080 1.7632 0.4740 0.4307 0.7955 1.0581 4.4506 1.7810 1.2148 3.0042 0.6703 0.2189 0.9507 1.9730 0.7742 0.4241 2.0949 1.5266 0.1525 0.8941 17.7919 1.1146 0.4385 0.5821 0.5139 0.7259 2.7125 0.1323 0.1894 3.1954 0.8417 0.2337 0.9360 1.6190 6.7976 1.0662 1.7502 2.0499 0.1323 1.2159 0.1323 1.3881 0.9802 hydroxycotinine 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.7067 0.0562 0.0562 0.0562 0.0562 0.0562 1.6824 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 1.0711 0.0562 0.0562 0.0562 0.0562 0.9289 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 2.4178 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 0.0562 trans-4-hydroxyproline 1.0239 1.1495 1.0276 0.7827 0.9259 0.9551 1.1183 1.0529 0.9470 1.1163 0.8105 1.1018 0.7923 1.0499 0.8524 0.8120 1.3229 1.4211 0.9290 1.3086 0.8245 0.8647 1.8428 0.9785 0.7955 1.4182 0.5649 1.0260 2.0134 1.6432 1.0587 1.3675 1.0000 0.9101 1.0061 0.8859 0.9858 0.7477 0.7052 0.9613 1.1250 0.7506 0.6348 1.4106 1.4536 0.6794 1.0155 1.4109 0.7316 0.8649 0.8589 0.9488 1.1855 0.8808 0.7402 0.8631 1.2861 1.1825 1.0848 0.7032 1.1735 1.2436 1.1404 0.9633 0.9716 0.8649 0.9966 1.4994 2.8029 1.0670 1.2675 1.0166 2.4435 0.9600 0.9845 hyocholate 1.1373 0.4388 3.5666 0.0967 0.0967 0.0967 0.9412 1.6511 0.0967 1.5162 0.0967 0.9044 0.4891 0.0967 0.0967 1.3083 0.9888 1.6124 0.3925 0.0967 0.4364 0.4294 0.9486 0.0967 0.2909 0.0967 0.0967 0.8712 4.8181 1.3083 0.3017 0.0967 0.6592 0.0967 0.2599 0.3430 0.3929 1.6021 0.3832 0.9374 0.9038 0.7427 0.0967 0.5423 1.8601 0.0967 0.0967 1.1475 2.4490 0.7573 0.0967 1.2833 1.3558 0.1742 1.4121 0.7094 1.4790 1.5543 0.4428 0.0967 1.5073 1.0112 1.5687 1.8733 2.7697 1.3641 1.0275 2.6797 2.5193 0.5134 0.5554 0.0967 0.0967 2.6073 4.9171 hypotaurine 0.6663 1.2057 0.7978 0.6563 1.3481 1.3568 1.1552 1.1517 1.2171 1.0000 1.3840 2.0783 0.9696 1.6085 1.0914 2.8445 1.2980 0.9348 1.0165 1.3463 0.8344 0.5755 0.7751 1.0809 0.5992 1.1865 1.1199 0.2038 0.4156 1.8953 1.1996 1.2784 0.2364 1.0167 0.8114 0.5773 1.5855 1.4565 0.8638 1.8489 1.0805 1.6109 0.6836 1.2185 1.1975 0.8513 0.4779 0.6394 1.4608 0.3437 0.4513 1.0821 1.0005 0.8055 0.7439 0.8819 0.8227 0.8593 1.0710 0.5822 1.2229 0.9612 0.8172 0.5960 0.4774 0.6451 2.1095 0.7726 0.9703 0.7787 0.9209 1.3436 1.0373 1.0499 0.8350 hypoxanthine 0.6921 1.0000 1.3514 0.9862 0.6370 1.5979 1.3157 0.8893 0.9292 0.9565 1.3469 0.7321 1.8681 1.1060 0.8616 0.5424 0.9818 0.5120 0.7011 0.9202 1.4504 0.9672 1.9750 0.9254 1.0833 1.0451 0.7538 1.3739 0.9080 1.3868 1.0788 1.8275 1.4531 1.2691 1.6535 1.5969 1.3096 1.9084 0.8473 0.5340 1.1877 1.2149 1.0342 1.5383 1.2751 0.7487 1.6323 0.6620 1.2108 0.8212 1.6245 1.3243 0.5708 1.3321 0.9192 1.1615 0.5780 0.6690 1.3979 1.1535 0.4730 0.8001 0.7509 0.5721 0.9266 1.7167 1.0712 1.5503 0.8164 0.7431 0.8880 0.6125 0.8554 1.3084 0.6859 ibuprofen 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 imidazole lactate 0.8401 1.2426 2.0767 1.5492 1.4142 1.8292 0.6967 0.9629 0.9934 0.5993 0.6560 1.7958 0.6231 0.7916 0.7529 1.0117 1.1077 2.5778 1.4314 1.1110 1.0812 0.6467 0.6784 0.8079 0.8678 1.3115 0.4940 1.6269 0.3895 0.7733 0.6573 1.1608 0.8636 0.7004 1.0000 0.6884 1.5318 0.6940 1.5133 1.0440 1.4964 1.1445 1.2379 0.6365 0.8192 1.0603 0.6105 0.7691 1.1370 0.8643 1.8843 0.9024 0.8076 1.1315 0.8603 0.4264 1.1546 1.1205 0.7712 0.7103 0.8216 1.5989 1.5696 1.0046 1.3013 0.6037 0.6604 1.9660 0.9354 2.4093 1.0860 1.0368 1.8851 1.3376 0.8127 imidazole propionate 3.6942 0.7880 4.3797 0.5873 1.4503 1.4397 1.0968 0.9019 0.2410 4.6108 1.0433 1.5246 2.5064 0.5017 0.7687 0.7575 0.6962 0.6284 1.6039 0.8825 1.3244 1.2575 1.2846 1.4134 1.1405 3.6252 0.8162 0.8894 1.0294 0.7408 0.6867 0.7461 1.1923 0.3284 0.8155 8.5710 1.7717 2.0131 0.5142 0.5019 1.8623 2.0589 0.9494 0.5945 1.8766 4.3792 0.4018 0.7427 1.0056 0.7508 0.8813 0.9553 0.9894 0.8965 0.8874 2.5441 1.0511 1.9714 1.0684 0.6506 1.7876 0.8663 1.3174 1.3452 0.8380 1.3066 0.9467 1.0376 0.8791 1.2511 0.2519 0.6299 1.0000 1.5617 0.7694 iminodiacetate (IDA) 1.8905 2.0891 2.0925 0.9921 0.9849 0.8059 0.9510 0.7700 0.9171 0.8375 1.0183 1.0076 0.9240 1.1112 1.0290 0.9385 1.0993 1.0000 1.1416 0.8591 0.8639 0.8027 0.8952 0.9942 1.1492 0.9814 1.3089 1.6972 1.3756 0.9075 0.9279 1.0902 0.9034 0.9982 1.2050 1.5274 1.1470 1.2996 1.0964 1.1718 1.3225 1.0072 1.0249 0.8844 0.8751 0.8962 1.1191 0.7597 1.0442 0.8664 1.8747 0.8175 0.9374 0.8654 0.9063 0.9766 0.9835 0.9832 0.9395 0.8686 0.9942 1.1648 1.0216 0.8393 0.9249 1.0454 1.0554 0.8181 1.2453 1.1151 1.1349 1.2547 1.0956 1.3526 1.6191 indole-3-carboxylic acid 0.9419 1.0540 0.6625 1.1547 1.3478 0.8384 1.7810 0.5841 0.9684 0.9983 1.4242 1.4796 0.9264 0.9252 0.8002 0.9881 1.2359 1.1146 1.1538 1.3564 0.9384 0.7249 2.7078 1.3259 0.6576 0.7843 1.1655 0.9160 1.2171 1.0017 1.0245 0.7255 1.0660 0.7005 1.0875 0.5300 1.2374 0.8191 0.8281 1.1151 0.8102 0.5890 0.6805 0.8665 0.4622 0.7487 0.7073 2.6639 0.4622 1.0337 1.0543 1.1171 2.2876 1.0962 0.6671 1.4420 1.4465 0.8692 1.2315 0.8208 1.0188 1.4007 2.9247 0.9937 1.1548 0.9565 1.0236 0.8160 1.9486 0.7637 0.7694 0.9022 2.0279 0.7054 1.4150 indoleacetate 0.3956 0.8348 1.1334 3.5939 1.1816 1.6955 1.0000 0.9507 1.2607 0.4816 1.4475 0.9998 0.5058 0.4041 0.6926 1.0689 1.1079 1.3922 1.0608 1.0740 0.8124 0.6636 1.5482 0.5727 2.2694 0.7400 0.7087 0.7726 0.9026 1.3004 0.8782 1.0259 1.5203 1.0439 0.6875 1.5194 0.8128 0.7600 1.1416 1.0208 0.8239 0.6802 0.9175 0.7364 0.6382 1.1638 1.0753 0.7604 0.9005 0.7613 0.5453 1.0813 1.5128 0.8235 1.1418 1.1653 1.3927 0.4855 1.1909 0.9123 1.3460 1.0711 1.2699 1.2713 1.7308 0.6079 1.0637 0.4739 1.6264 0.7681 0.8975 0.7745 3.8446 0.7601 2.8918 indoleacetylglutamine 0.1830 0.1830 1.5196 2.8551 1.8419 3.5816 2.2061 0.6534 1.1566 0.8577 1.6673 1.2264 0.6541 0.1830 1.1870 1.6880 0.4284 2.7659 1.2790 1.1227 0.8504 0.9340 5.0095 2.2707 3.4498 0.4287 0.1830 0.6593 1.9917 0.9984 0.8015 2.5348 1.9523 0.6685 0.2992 1.4516 0.4741 0.8751 0.6610 0.2869 0.8553 0.8646 0.1830 0.2757 0.3507 1.0016 0.1830 1.0450 0.9423 1.2696 0.1830 1.1555 2.8194 0.7078 1.0551 1.1651 0.3191 0.3168 1.7016 0.1830 0.1830 1.4196 0.5204 0.8038 0.7589 1.3719 1.1177 0.3590 0.9349 0.1830 0.6146 0.7060 8.6626 0.2939 2.0630 indolelactate 0.6816 0.6895 1.3377 1.5038 1.4545 1.4490 1.3373 0.6703 0.5426 0.5086 1.1541 1.4332 1.0000 0.6511 0.5671 1.6663 1.0661 0.9319 0.8376 1.1248 0.8040 0.7222 0.8892 1.5233 0.8378 0.8464 0.5722 0.9228 1.1220 0.8951 1.2956 1.3598 1.4826 0.5622 0.9428 0.6021 2.2535 1.0302 1.4557 0.8806 1.2303 1.1464 1.1296 0.6432 0.5593 1.3181 0.7055 0.4975 1.8971 1.3269 0.6617 1.4478 2.2219 1.4579 0.7979 0.5705 1.5024 0.5339 1.7306 0.8665 0.9010 0.9862 1.8234 1.1990 1.2385 0.8787 0.9496 2.4740 1.7318 0.9101 2.6088 1.1035 1.6891 0.4412 0.7993 indolepropionate 0.3975 0.9121 0.9056 2.8523 0.8342 1.2780 2.1499 1.3103 0.7553 0.5279 0.7965 0.9150 2.0990 2.5322 0.8674 2.3978 5.0341 3.2550 1.5918 1.3011 0.5430 0.1998 0.4849 0.7713 0.0068 0.1082 3.4263 0.4096 3.2111 1.8718 3.0049 0.3551 0.7236 4.4395 1.0000 0.3981 2.5380 0.9859 4.9395 0.4738 1.7426 0.7630 1.3779 2.4611 0.0943 3.4362 1.8516 0.3772 2.2946 0.6452 1.3987 2.1299 1.0827 0.8100 0.7898 0.4614 0.7120 1.1076 2.7847 1.2949 0.6196 2.2704 3.3632 0.4975 2.5610 2.3596 1.8242 0.9797 0.6042 0.8340 0.4260 3.1819 0.4240 0.5862 1.1399 indolin-2-one 0.5464 0.8951 0.8387 0.5649 0.9994 1.1959 1.4358 0.7830 1.6198 0.9139 0.6658 0.9573 0.4011 0.4011 0.7146 1.5399 0.4753 0.5841 2.8702 2.9392 1.1227 0.6783 0.4011 1.0000 0.4011 0.4011 1.0036 0.4011 2.6238 0.4603 0.6302 0.4011 0.4472 0.4011 1.6668 1.8887 0.8062 0.4011 0.8826 0.4011 0.7957 1.6323 1.4514 2.1150 0.4011 0.4011 0.6865 0.4011 0.4590 0.4011 0.4188 1.0343 1.1229 0.4871 1.1928 0.6287 1.5383 0.7247 2.7790 1.5643 0.4011 1.2984 0.4011 0.4011 0.4011 0.4011 1.6758 1.5158 1.0931 0.5894 1.2980 1.1093 0.8431 1.2867 4.0446 inosine 1.2231 0.6755 1.0242 1.3272 0.5413 1.2295 1.0000 1.0974 1.9125 0.6413 1.3284 1.5764 1.2337 0.8041 0.9846 0.8615 1.2526 1.1109 0.5118 1.7110 0.7406 1.0615 0.9823 1.3895 0.6895 1.0941 0.5715 1.0198 1.1816 1.9177 1.4806 1.0362 0.4883 1.3315 0.8679 0.6122 0.9037 1.4059 1.8262 1.7613 2.0196 1.3378 0.9289 0.8585 3.0479 1.3033 0.9584 1.0451 1.7290 0.2926 0.5701 1.3032 0.7056 2.0414 1.0358 0.6275 0.2381 1.2490 0.8153 0.5281 0.8366 1.0478 0.7350 0.3213 0.3410 0.4602 0.5754 1.3262 0.6483 0.4792 0.6802 0.6564 0.9991 0.8949 1.0414 inosine 5'-monophosphate (IMP) 0.3218 0.9279 0.2403 0.6902 0.3007 1.6041 1.2888 0.4555 1.5942 1.1910 1.8287 1.5060 1.5113 1.9559 0.3244 1.3531 1.6536 0.5831 0.1158 1.2695 0.1158 1.5729 1.1985 1.3834 0.7797 1.1628 1.2704 0.1158 0.6427 2.4683 2.0314 2.6063 0.3227 0.5736 0.8312 0.1158 1.8244 2.5836 2.0756 2.1630 1.0000 1.4905 0.6066 1.8694 1.9431 0.9195 0.2714 0.7072 1.5446 0.1158 0.2221 0.4505 0.1158 1.6369 0.4613 0.2259 0.1158 0.1158 0.2173 0.3897 0.1334 0.6234 0.3129 0.1158 0.1162 0.1158 0.5303 0.1158 0.1158 0.1158 0.5684 1.0052 0.7190 2.0448 1.1635 isobutyrylcarnitine (C4) 0.6954 0.8074 0.8242 1.3259 1.0000 1.1021 2.0915 0.4937 0.8282 1.5672 0.9049 1.0580 0.5385 0.6360 0.8791 0.7738 1.4639 2.2003 2.1120 1.1066 0.7691 0.7462 0.9226 1.4351 0.8713 0.5402 0.6677 0.9618 1.2323 0.6699 0.7601 1.2945 0.7815 0.8703 1.3882 0.8347 1.4972 1.5848 0.9459 1.1797 0.9075 2.5455 0.7688 1.1379 0.7567 0.8471 0.9638 1.2490 1.1044 0.7743 0.9844 1.1342 7.0533 0.5775 1.0717 0.5950 2.8852 1.1999 1.2094 0.9902 0.3163 2.8257 0.5430 3.2249 1.3853 1.3494 2.1275 1.1595 2.3915 1.7805 3.4573 0.8758 1.1974 0.4297 1.9674 isobutyrylglycine 0.6399 0.4281 0.3613 1.4327 1.1901 0.7309 1.2812 0.3613 0.6665 0.8151 0.7377 0.7816 0.3613 0.9642 0.6988 0.8045 1.0514 1.8693 1.4664 1.2433 1.1560 0.3613 0.7729 0.9909 0.7947 0.3613 0.3613 1.0405 0.3613 0.3613 0.7248 1.0651 1.2368 0.3613 1.0887 0.8873 0.6437 0.7257 0.3613 1.0337 1.3027 1.0344 0.3613 0.3613 0.3613 0.9394 1.2742 0.9439 1.2732 1.0534 0.8271 1.3303 3.4343 0.6186 0.8798 0.6218 1.7658 1.0847 0.8434 0.3613 1.1149 0.3613 0.8945 1.5488 1.0000 1.0275 0.9377 0.3613 1.2283 0.9359 1.6382 0.3613 1.1075 0.4589 1.2049 isoeugenol sulfate 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.4747 0.2333 0.2333 0.2333 0.2333 0.2333 0.5398 0.2333 0.2333 13.5096 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.8010 0.6975 0.2333 0.2333 0.2333 1.0888 0.2333 0.2333 0.2333 1.8498 0.2333 0.3930 2.3084 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 0.2333 1.2611 0.2333 0.2333 0.2333 0.2333 3.6867 0.2333 2.0195 0.4542 0.2333 0.2333 0.2333 0.2333 0.6279 0.2333 0.2333 1.0094 0.2333 0.2333 0.2333 0.2333 51.8132 0.9906 0.2333 isoleucine 0.6739 0.9580 1.1632 0.8005 0.9921 1.1064 1.2234 0.9037 0.8159 1.1099 1.0386 0.9019 1.0186 0.9284 1.0079 0.9959 0.7087 0.7348 0.9418 0.9391 1.1395 0.8488 1.3535 1.2735 1.0729 1.0877 0.6854 0.9774 1.0698 0.8159 1.1425 0.9713 1.0367 0.7519 0.9564 0.8454 0.9281 1.1005 0.7421 1.0629 1.0702 0.9958 0.6175 0.9619 1.0535 1.2998 0.9949 1.0895 1.0884 1.1683 0.8943 1.1553 1.2617 1.1730 0.9994 0.7569 1.1953 1.0534 1.3349 1.1410 1.0963 0.9762 0.8803 1.3528 0.8585 1.1169 1.0000 1.1914 1.2161 1.1046 0.9238 0.9235 1.2167 0.8391 0.9365 isoleucylglycine 0.4606 2.7796 0.7791 0.9135 3.1160 0.8445 2.0159 0.4606 0.4606 0.4819 0.7699 1.0082 0.4606 0.9549 0.9649 1.0945 1.0914 1.1691 1.0000 0.8322 0.8590 0.4606 0.4999 2.3500 0.5361 0.4606 0.4606 0.4606 1.0433 1.8596 1.1549 0.8070 0.4606 0.4606 0.4606 0.4606 0.4606 0.7519 1.1997 1.2288 2.8662 0.7487 0.4606 0.4606 0.4606 0.7153 1.5749 0.4606 1.4948 0.4606 0.9404 0.5271 0.6864 0.4606 0.4606 0.4606 1.6397 0.4606 1.2799 0.4606 0.8943 1.0132 0.7777 0.4606 1.1829 0.4606 0.4606 0.4606 0.4606 1.4253 0.4606 2.9520 1.0719 0.8209 0.7188 isovalerate 0.3280 0.6518 0.6198 0.3280 0.9692 1.0366 0.3280 0.8730 0.6426 0.6975 0.9442 0.5195 0.3280 0.5684 0.9578 1.0308 0.8810 0.7516 0.7587 0.7728 3.2230 0.7579 1.0873 1.2562 0.9455 0.8569 0.4653 0.4754 1.3802 0.6991 0.3280 1.4584 1.2514 0.3280 1.2622 0.7157 0.5643 1.1146 0.6120 0.9660 1.0887 0.8663 0.6691 1.1436 0.6486 1.0707 0.8979 1.3542 0.8745 0.9515 0.7464 1.2078 1.1179 0.8583 1.1901 0.6989 1.2048 1.2549 1.1883 1.3850 0.7704 2.0216 1.9190 1.5173 1.4347 1.4841 1.9172 1.7168 2.3569 2.1094 2.3056 1.9959 1.7759 2.0856 1.9032 isovalerylcarnitine (C5) 0.6226 0.7620 1.1300 0.5571 1.0152 1.2846 1.6580 0.8740 0.6967 0.9768 1.6530 0.5203 0.8935 0.8124 1.3230 1.1451 1.1449 0.7335 1.4051 0.8321 1.6831 1.0125 1.4159 2.3739 1.2737 0.8249 0.5059 0.7024 3.2730 0.3636 0.5051 1.6998 0.9566 0.5979 1.3979 0.8742 0.6813 2.2307 0.6500 0.7299 1.4215 0.9449 1.0574 0.8274 0.7329 1.3450 0.4967 1.0000 0.7336 0.9486 0.5672 1.4102 1.5431 1.0080 1.2430 0.5840 1.5388 0.7771 1.1050 0.8659 0.2989 1.1955 0.9042 1.4735 1.3335 1.7560 1.7324 0.8460 2.5314 1.0704 1.2171 0.9683 1.6945 0.4261 1.1524 isovalerylglycine 1.2446 0.3071 0.6699 2.5973 0.6752 1.1604 1.8850 0.9272 0.8371 1.0106 0.6927 0.5441 0.7736 0.3080 1.1024 1.3911 1.3877 2.2727 2.0846 2.3990 0.9471 0.7579 0.6304 1.3444 0.5511 0.6918 0.2364 0.9894 0.9381 0.9747 1.4031 0.4579 0.5904 0.6388 0.6807 1.1293 0.8072 1.4670 0.9544 1.1594 1.8640 0.9598 0.6701 0.5534 0.2364 0.9719 1.1064 1.4800 2.2443 1.2426 0.9635 1.3336 3.8342 0.6740 1.1954 0.4504 5.2436 1.0827 0.7329 0.2364 0.6337 1.9712 1.4387 1.1242 1.3719 1.1863 0.7031 0.6543 2.4286 0.9409 1.5534 1.7370 1.5227 0.2364 1.5838 kynurenate 0.5695 0.5405 0.9227 0.8073 1.0072 1.1554 1.4311 0.5706 0.8594 0.8842 1.2663 1.0116 1.3948 0.9017 0.7884 1.0045 1.1404 0.9076 1.1121 0.8084 0.9214 0.5808 1.1164 1.1259 1.0390 1.2662 0.5762 1.3146 0.9603 1.0124 1.2096 1.5454 0.6033 0.5067 1.3228 0.4746 0.7854 2.0047 1.3885 0.6143 1.2949 1.0000 1.2928 0.7712 0.8745 1.3387 0.6230 1.2143 1.6755 1.2229 0.6827 1.3333 1.3238 1.0210 0.9176 0.7247 1.0515 0.9648 1.0491 0.6640 0.8089 1.9910 0.8754 1.1609 0.4718 1.6152 0.9814 1.3190 1.2355 0.8810 0.8125 0.8661 1.5813 0.3771 0.8934 kynurenine 0.5480 0.6529 1.0366 1.1502 1.1350 0.9945 1.6130 0.5817 1.3660 0.9125 1.2297 1.1197 0.9685 0.6143 0.8637 1.1178 1.2628 1.1099 0.9829 1.1906 1.0921 0.7957 0.9334 1.4624 0.9351 0.9941 0.6438 1.4510 1.0004 2.1833 1.0747 0.9261 0.7899 0.6296 1.0240 0.7591 0.8578 1.0326 1.0490 0.8280 1.6216 1.0000 0.9248 0.8236 1.1151 1.7521 0.8156 1.0901 1.1771 1.1726 0.6931 1.4152 1.5371 0.9725 1.6662 1.0042 1.0571 0.7489 1.4009 0.5238 0.9331 1.3161 0.8242 1.1801 0.8046 1.1584 0.8317 0.8957 1.0422 0.7678 0.8778 0.9212 1.4860 0.6469 0.9432 lactate 0.8997 0.8413 0.8713 1.1030 1.3151 1.0716 1.2256 0.6585 0.7232 0.8783 0.9268 0.9805 1.0724 1.0395 0.7925 0.8919 0.9378 0.7832 0.7690 1.0066 1.5386 1.0207 1.5407 1.3337 0.8779 0.7901 0.8851 1.3374 0.9628 1.0193 0.9817 1.3861 1.5547 0.9115 1.2312 1.0544 1.1399 1.0667 0.8997 0.7674 0.8823 1.1093 1.0000 1.0250 0.8580 0.7670 1.0319 0.8218 1.1616 1.3628 0.9859 0.9335 0.8409 1.5430 0.9001 0.8309 0.6926 1.0047 1.1389 0.7866 1.0573 1.0935 0.8678 1.5925 1.0438 1.1876 1.1301 0.9704 0.7461 0.8156 1.0357 0.8515 1.1139 1.0032 1.2203 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 1.0556 1.0157 1.0889 0.7199 1.3518 0.6855 0.6648 1.6278 1.3555 0.9653 1.0433 0.9629 0.7194 0.9382 1.1618 1.2038 2.0580 0.9999 1.2386 1.3419 0.9194 1.2871 0.9874 0.7252 0.8164 0.9965 0.8634 1.9291 0.7644 1.5035 2.1362 0.9987 0.8787 1.0836 1.1126 0.8585 1.3951 0.7128 2.0225 1.2464 1.0792 1.0896 1.3554 0.6310 0.6652 1.0702 1.1808 0.9377 1.3124 0.9604 0.8634 1.5516 0.6691 0.6798 0.6986 1.2881 1.4172 1.6220 0.6923 0.8771 1.8220 0.8392 0.7422 0.8336 0.6973 0.9187 1.7782 0.8319 1.1163 1.3675 1.3335 1.0000 0.5555 1.1555 0.8485 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 1.0611 1.1424 1.0369 0.8091 1.1683 0.9295 0.8173 1.3301 0.9967 0.9086 1.1328 0.8185 1.0000 0.8675 1.0788 1.2115 1.2416 0.7269 0.9190 1.5452 0.8896 1.1293 1.0353 0.8527 0.6627 1.0190 0.8294 1.3791 1.0589 1.2117 1.3416 0.9769 1.0745 1.0317 0.9315 1.0276 1.1703 0.7488 1.0513 0.8195 1.0055 0.9925 1.3255 0.7913 0.6567 0.7533 1.7668 1.0652 1.1142 1.1384 0.7363 1.1350 0.5867 1.0139 0.8481 1.1194 0.9655 1.3682 0.7397 0.9217 1.3014 0.6173 0.8967 0.9263 0.7395 0.7296 1.2486 1.0853 0.8130 1.2674 0.9897 0.9182 0.6372 1.5263 0.7317 lanthionine 1.0487 1.3244 0.9988 1.5531 1.0000 1.8272 1.1670 1.1282 0.8987 0.8478 1.2564 0.9703 1.5659 0.8228 1.1302 2.3415 1.1016 2.2181 1.2184 1.3596 0.9066 1.3940 0.8936 1.0435 0.6130 0.4936 0.7784 0.9381 1.8833 1.2473 1.3662 0.7727 0.7308 0.7546 0.7572 1.0427 0.7363 0.6135 1.3335 0.6419 1.9331 0.9685 1.1644 0.6308 0.7946 1.2053 0.8259 2.4138 0.7845 0.9906 1.1709 0.8361 8.0894 1.4145 0.9161 0.8644 1.1693 1.0271 0.6184 0.8179 1.5489 1.5347 0.9634 0.6585 1.2921 0.8269 0.7155 0.9564 1.2433 1.0175 0.6209 1.1225 0.6318 1.1409 0.6756 laurate (12:0) 1.1039 2.4693 0.7454 1.1076 0.6343 0.6596 0.3556 1.1424 1.4222 0.9592 0.8520 0.5587 1.0000 1.6946 0.5708 0.8859 2.0647 0.6858 0.6923 0.9635 1.1405 1.1639 1.6402 0.8683 1.6514 1.6816 2.3478 3.6350 0.6972 1.4710 3.5493 0.4098 0.5468 1.3265 2.3407 0.8670 1.6266 0.7323 2.4071 1.0179 1.2338 0.5070 1.1434 1.2737 1.1414 2.3022 1.2257 0.6909 0.6771 0.5955 1.2288 1.8839 0.6120 0.9603 0.7170 0.6686 0.5884 1.1412 0.3596 0.6142 2.7854 1.8639 0.5752 0.7652 0.5160 0.5349 0.4245 1.4565 0.7964 1.3675 0.6710 1.0249 1.2534 3.7492 0.9340 laurylcarnitine (C12) 0.8714 1.6509 1.8981 0.3057 1.1073 0.6317 0.9036 0.6639 0.8851 0.6907 1.1949 1.2277 1.0560 2.6420 1.4152 1.0803 1.5169 1.2203 1.7568 1.0000 1.4105 0.5573 1.4766 0.9417 1.0299 1.4437 1.2117 1.6428 1.0188 0.8125 0.9582 1.0119 0.6346 0.8966 1.1340 0.4495 1.5300 1.5776 0.7552 1.3021 0.9374 0.8824 0.7939 0.9386 1.1113 1.5219 1.6486 0.4861 0.7885 0.3996 0.5319 0.8160 0.6047 0.8369 0.7542 1.6032 1.5027 0.9972 0.5255 0.8874 1.6442 0.4496 0.4628 0.5336 0.3356 1.0325 1.0310 1.7804 3.4294 1.3885 0.3429 0.8500 1.5622 1.8507 0.6931 leucine 0.6597 0.8632 1.1494 0.8368 1.0337 1.1494 1.1901 0.8931 0.8176 1.0321 0.9812 1.0148 0.9981 0.9893 1.0208 0.9935 0.8330 0.8580 1.1360 0.7472 1.1436 0.7909 1.2493 1.1987 1.1211 1.0645 0.7720 1.0289 0.9826 0.7159 1.0677 1.0291 0.9705 0.6687 1.1023 0.7472 0.9688 1.1255 0.7314 1.0478 1.0894 1.0226 0.7544 0.9221 0.9508 0.9489 0.9013 1.0345 1.0129 1.1559 0.9500 1.0460 1.1426 1.1028 1.0561 0.8372 1.2266 0.9365 1.2543 1.0238 0.9057 0.8952 0.8626 1.3589 0.7865 1.1609 1.0670 1.0000 1.2325 1.2182 0.8690 0.9078 1.2536 0.6961 0.9634 leucylglycine 1.0000 0.7316 0.7687 1.3246 0.4093 0.8467 1.1568 0.4093 1.0524 0.8995 1.3531 0.5383 0.7421 1.3618 0.4093 0.7312 1.1942 0.8621 0.5168 0.9471 0.4959 0.4093 0.5118 0.9921 0.8180 0.4093 0.4093 0.4093 0.4093 1.6574 1.4275 1.5062 0.4093 0.4093 0.4093 0.7443 1.6167 1.8792 2.4428 1.1711 1.0740 0.6277 0.4093 2.1096 2.0896 1.2553 0.8745 0.6248 1.6992 0.4093 1.0852 0.4093 0.4093 0.4093 0.4093 0.4093 0.7746 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 0.8192 0.4093 1.4551 1.0428 1.3692 0.7464 lignoceroyl sphingomyelin (d18:1/24:0) 0.9889 1.0253 1.1657 1.0947 1.1869 1.4238 0.8600 1.2444 0.8851 1.3743 0.9182 0.9333 1.0183 0.9715 1.1421 0.8301 1.2435 1.7568 0.7568 1.0950 0.8914 0.8416 1.0126 1.4213 1.0987 0.6676 0.8227 1.3482 1.8430 1.5130 1.4423 1.7386 1.1357 0.6990 0.9265 1.2686 1.0000 0.9674 0.8615 1.1837 0.9869 1.2961 1.1455 0.6817 0.8453 1.1020 1.3556 0.9298 0.8006 1.2344 1.1939 0.9768 0.7877 0.6629 0.6518 0.8547 0.7607 1.1242 0.9566 0.8961 0.8040 1.1412 0.9234 1.1922 1.4603 1.2823 0.9123 0.6153 1.1028 0.7741 0.9872 1.2601 0.7788 1.1651 0.8319 lignoceroylcarnitine (C24)* 0.7410 0.7029 0.8265 0.6129 1.5657 0.8355 1.1951 0.8590 0.7593 0.9876 1.2520 1.0540 0.9268 1.2605 1.8459 0.7947 0.9597 2.1212 1.0388 0.8080 1.1097 0.9720 1.4700 2.8763 1.6436 0.7936 1.7058 1.6351 2.3971 1.2775 3.2442 1.4337 0.8171 0.8074 0.8587 0.9989 0.7791 0.9438 1.5312 1.3450 1.3628 1.4028 2.0104 0.5863 0.9938 2.1785 0.4236 0.7423 0.7708 0.8052 0.8678 0.8587 3.9823 0.9535 0.6893 0.6750 2.0257 1.0000 1.1543 0.7432 1.2331 2.9105 0.7845 1.1954 1.0589 1.5017 1.1458 0.5207 0.9163 0.7814 1.0121 1.1361 1.4270 0.7081 1.0267 linoleamide (18:2n6) 0.0092 0.6260 0.9004 0.9694 0.8156 0.8120 1.0760 0.9508 0.4721 0.6750 0.2969 2.4084 2.7077 1.8891 3.1021 1.6897 2.2115 1.4272 2.3770 1.0598 1.9827 1.3169 2.1072 1.1532 0.7776 0.8864 0.2806 0.3726 1.9011 0.3320 1.2122 2.5240 1.0845 1.9562 1.5473 0.7982 1.4260 0.6628 1.1959 1.9414 1.8196 0.4619 0.9658 1.3232 1.1115 0.5595 0.4147 1.9744 0.6418 1.0837 0.2110 0.6587 3.2104 0.0859 0.1887 1.1102 0.7685 1.0000 2.1371 1.5777 1.5647 0.6444 0.5022 0.2687 1.8149 0.1752 0.3828 1.7783 0.2730 0.6633 0.9753 1.0666 1.4379 0.4293 0.3974 linoleate (18:2n6) 1.2469 1.2577 0.8139 1.1651 0.7386 0.9158 0.4450 1.2308 1.3026 1.2406 1.0657 0.8593 1.6642 1.5951 1.0365 1.1636 0.9101 1.3315 0.6375 0.9922 1.4909 0.8648 1.2464 0.8066 1.1527 1.2119 1.2501 1.0644 0.9623 1.1955 1.5823 0.9393 0.8026 1.2343 1.1194 0.9885 1.1879 0.8487 1.4339 0.9422 0.6764 0.6960 1.4140 1.1296 1.4082 1.0009 1.3071 0.5156 0.8884 0.9310 1.0000 1.2891 0.8018 1.5637 0.9019 0.8365 0.4982 1.2271 0.6161 1.6000 1.7100 0.5141 0.5021 0.8435 0.7012 0.5124 0.7681 1.0947 0.7453 1.1619 0.7718 0.8415 0.6535 1.7520 0.8597 linolenate [alpha or gamma; (18:3n3 or 6)] 1.4280 1.1334 0.8608 1.8359 0.6933 0.8912 0.3818 1.4331 1.5569 1.2123 1.2284 0.8886 1.8614 1.7377 0.9763 1.2174 0.8155 1.0514 0.5891 1.0220 1.5868 1.0000 1.5066 0.8615 0.9735 1.1995 0.9810 1.0295 0.7121 1.2693 2.0247 0.8280 0.6361 1.3534 1.2333 0.8896 1.2237 0.9600 1.9313 0.9101 0.6017 0.5720 1.4500 0.7797 1.6737 0.4219 1.1750 0.5296 0.7694 1.1427 1.1626 1.7901 1.0297 1.4760 0.8912 0.7937 0.3074 1.3372 0.7608 2.0016 2.5152 0.5167 0.4029 0.7694 0.8518 0.5799 0.7191 1.5297 0.8989 1.2626 0.5329 0.7377 0.6414 2.5599 1.2594 linolenoylcarnitine (C18:3)* 0.5894 0.7521 1.6064 1.1851 1.2546 1.0273 2.0023 0.7606 0.7428 1.2933 1.4534 1.0322 0.6906 1.4831 1.2286 1.1907 0.7624 0.8575 0.9923 0.8070 2.0909 0.8536 1.9412 0.9087 1.1017 1.1876 0.7691 1.6986 0.7613 1.6519 0.7086 1.4173 0.9593 0.9597 1.1216 1.0956 0.8657 1.6908 1.2555 0.6896 0.6011 1.1766 1.0000 0.5670 0.7894 0.9659 0.4488 0.4634 1.1433 1.0124 0.8384 0.9138 1.0682 0.8764 0.9654 1.0879 1.0499 0.9209 1.7101 1.4392 0.9650 0.7979 0.3770 0.5365 0.8517 1.9369 1.1906 1.0547 1.3762 0.6214 0.6484 0.5106 1.1041 1.1316 1.6161 linoleoyl ethanolamide 1.0305 0.4833 1.1515 1.0433 0.8433 0.7517 1.1261 1.1233 1.3334 1.8538 1.1124 1.0754 3.3267 0.2270 0.8639 1.3184 0.9179 1.7648 0.8590 1.4092 2.1191 0.9901 1.6099 0.8770 0.2270 1.1762 0.4632 1.3140 1.3790 1.5733 1.4573 1.2939 1.8873 0.9672 0.9271 1.2650 0.2270 1.6335 0.9909 0.3442 0.4720 0.9757 0.7981 0.7670 1.3939 0.8254 1.0324 0.9795 1.0967 0.6994 0.9317 1.3137 1.0973 1.5525 1.2776 0.4000 0.2270 0.8356 1.7723 0.9076 1.2908 0.6882 0.2559 0.3843 0.7981 0.8495 1.0091 1.3247 0.7301 0.7816 0.9837 0.2270 0.2270 0.5424 0.6056 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 1.0819 1.0656 0.5640 1.1290 1.0077 0.7480 0.6917 0.6895 0.7693 1.4807 1.2058 1.1592 1.3065 0.7436 3.7465 2.9806 0.6591 1.1412 0.6534 1.4061 1.0760 1.3038 1.9845 2.3143 1.0312 0.9540 0.3854 1.1009 1.7404 0.9254 0.5597 1.3537 2.5969 0.7233 1.0000 1.2149 0.6015 1.0278 0.4346 0.8415 0.5578 1.7934 0.7899 1.1243 0.8576 1.0197 2.8142 1.0508 0.8128 3.0178 1.1899 0.6463 0.4593 4.6379 1.1672 0.5419 0.4533 0.9757 1.1236 0.7284 0.9213 0.2950 0.5416 1.1264 1.3491 0.7496 0.8592 0.6185 0.5028 0.7001 1.4377 0.9272 0.4957 1.0384 0.9775 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 0.9060 0.9930 0.6690 1.1438 1.3104 0.8038 0.6987 0.7143 0.8757 1.6666 1.1399 1.2847 1.2745 0.6800 4.3981 2.8686 0.8608 1.1522 0.6895 1.6692 1.1327 1.4176 2.1076 3.0150 0.9172 0.9173 0.2795 1.4412 2.0603 0.9155 0.7331 1.5611 2.7549 0.7423 1.5255 1.2182 0.5491 1.0535 0.5313 1.0272 0.6983 1.8580 0.8050 1.0732 0.8726 1.2221 2.7975 1.1432 0.7521 2.9051 1.5832 0.7155 0.4831 4.4801 1.1824 0.6290 0.6207 0.9734 1.3976 0.7159 1.0000 0.3378 0.5281 1.3279 1.1876 1.1094 1.0632 0.5602 0.5017 0.5861 1.3711 0.8524 0.5939 0.8628 0.9703 linoleoylcarnitine (C18:2)* 0.5503 0.8868 1.2266 0.9797 1.3937 0.9647 1.8110 0.7474 0.7239 1.0202 1.3311 0.9589 0.9033 1.3354 1.1688 1.1984 0.7992 1.5219 1.0610 0.9125 2.4221 0.7526 2.1091 0.8244 1.0077 1.0244 1.0081 1.8622 0.8298 1.6902 0.8630 1.8027 1.2072 1.1131 1.0243 1.2501 0.7107 1.4677 0.9550 0.6280 0.6901 1.4711 0.8126 0.7577 0.9004 1.5575 0.7058 0.5648 1.1103 1.0184 0.7713 0.8574 0.9473 0.7687 1.0195 1.1297 0.8977 1.0768 1.3603 1.3674 1.1173 0.8726 0.4221 0.5739 0.7769 1.2794 1.3909 1.0000 0.8280 0.5752 0.8021 0.5639 0.9096 1.0070 1.2728 linoleoylcholine* 0.5981 0.3006 0.4255 1.4970 1.5332 1.9301 1.0260 0.7850 0.4883 2.0168 1.2121 1.0408 1.1277 1.1131 0.5784 0.6833 1.7540 1.9466 2.3572 1.2496 1.8385 0.7549 1.6693 1.2914 1.2904 1.2146 0.9637 0.1404 0.3513 1.4706 1.1617 1.5492 0.8626 0.4426 0.6038 0.3460 3.8469 0.3302 2.0819 2.1514 0.6807 1.2738 0.7936 1.0778 0.5922 0.9536 0.2548 1.0523 0.7654 1.4832 0.0877 1.4612 1.3020 0.7392 0.4835 1.1522 1.1292 1.0198 0.2682 0.4350 0.3187 0.6659 1.0000 0.5216 1.3659 0.7581 0.2573 2.0600 0.1868 0.2949 1.0807 0.9843 0.2444 1.3989 0.2815 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* 1.4085 1.5722 0.3367 2.5324 2.5891 1.4803 0.6299 0.6799 0.6915 1.4407 1.6388 0.7446 1.5389 1.0545 1.5293 0.7446 0.8360 0.2169 0.3678 3.7407 0.1363 1.0000 1.0447 2.1901 0.9491 1.0064 0.5183 1.0254 1.4470 0.6517 0.7208 0.5989 2.5293 0.9888 0.8811 1.9237 0.6206 0.9918 0.4539 0.9004 1.2499 2.1499 0.5056 1.4816 0.4091 0.3422 2.2590 2.2614 0.5663 4.2304 2.7296 0.8318 1.1001 3.6296 1.7999 0.3548 0.6791 0.7601 1.1814 0.8306 1.3703 0.1310 0.8192 1.0766 2.9670 1.4956 0.4064 0.8576 0.2102 2.0223 1.4221 1.0672 0.7268 1.1410 0.5177 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]* 1.3820 1.1297 0.3523 3.1843 3.0204 1.1796 0.9480 0.6189 0.3572 1.6923 1.2588 0.6792 1.2635 0.8093 1.1335 1.3130 0.8425 0.1706 0.5639 3.5758 0.3685 1.0626 0.8557 2.1992 0.6468 0.7329 0.5346 1.3913 2.1908 0.4606 0.8187 1.0000 2.1008 0.7656 1.4106 1.6496 1.1453 1.0198 0.2807 1.4572 1.1345 1.7400 0.6803 1.4256 0.4578 0.4836 2.3141 1.8643 0.5744 3.4521 3.5626 0.7857 0.7260 3.3769 1.1023 0.3672 0.6438 0.6031 0.5899 0.8062 1.3622 0.3893 0.7528 0.9808 2.5312 1.0846 0.4506 1.0020 0.5101 1.4123 1.3055 1.0302 0.6475 0.8780 0.6963 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* 2.0385 1.9760 1.4811 3.2856 1.7205 3.5670 2.1517 0.3284 0.7506 0.8110 6.1242 1.6962 1.2837 1.6464 3.4633 1.4401 0.3896 0.2348 0.8957 1.4594 0.8929 3.0153 1.9068 1.8139 0.8746 1.0342 0.8199 1.3522 0.6198 0.4903 0.2628 1.0632 1.9789 1.0150 0.4985 1.7922 0.5187 0.3907 0.6099 0.7712 0.3267 1.0000 0.8703 0.4135 0.5806 0.2906 0.6342 0.8510 1.6129 6.3479 1.2451 0.3234 1.6222 7.0347 1.5822 0.4597 0.3679 0.8460 3.2209 1.0190 0.7022 0.3587 0.7179 1.1023 4.7385 0.9583 0.8131 0.9116 0.2741 1.1813 0.3180 1.2839 0.6488 1.2326 1.9974 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* 0.9544 1.1174 0.8764 3.0618 1.6938 1.7440 1.8764 0.5256 0.6735 1.4529 3.1081 2.4510 1.1347 1.0000 3.2057 2.4793 0.6468 0.6719 0.7470 1.2223 1.3176 1.9202 1.4023 1.9075 1.1628 1.1158 0.3842 1.5218 0.9036 0.9258 0.4881 1.8952 1.6246 0.8206 1.2038 1.4478 0.5961 0.8338 0.9562 0.7643 0.6023 2.0505 0.6098 0.7160 0.6909 0.8441 0.8072 0.7544 1.4535 4.0643 1.7315 0.7901 0.7502 5.3186 1.0658 0.5334 0.4299 0.7942 2.4243 0.5013 0.4408 0.4609 0.4384 1.1323 1.8241 1.3576 1.7683 0.7814 0.4393 0.6100 1.2419 1.3397 0.6293 0.8226 1.7117 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* 1.4499 1.4153 0.9099 2.9637 1.6380 1.2621 1.7322 0.3198 0.7205 0.9630 3.1450 1.7985 1.1597 1.2552 4.1335 1.7354 0.7147 1.0035 0.9766 1.0754 1.5449 1.9174 1.4810 1.2844 1.0764 1.7462 0.4200 1.5620 0.7450 0.6788 0.2649 1.3993 1.5682 1.0496 0.7613 1.2729 0.7360 0.6009 0.6558 0.7811 0.4604 1.0793 0.5997 0.7715 0.9078 1.1696 1.0507 0.4760 2.0061 2.7395 1.5547 0.4263 0.9261 5.2826 1.2730 0.4566 0.3711 0.7290 2.1920 0.9589 0.5791 0.3979 0.5441 1.0000 1.8645 0.8220 0.8984 0.8128 0.3538 0.9398 1.1151 0.9324 0.5766 0.9144 1.3714 L-urobilin 0.1263 4.7980 0.1263 0.5083 0.6809 1.0000 0.2879 1.1975 0.9014 0.1263 2.0470 0.1263 0.1263 0.1263 1.7297 0.5742 0.6978 1.2046 1.0458 2.3127 0.5552 0.1263 5.0926 0.1263 0.1263 0.2226 0.8690 0.1263 3.6813 0.6825 2.6865 0.5096 0.7851 1.6350 0.2524 0.1263 0.1263 0.1263 1.2061 1.9077 0.1263 0.2339 0.1263 0.1263 0.1263 0.1263 2.6204 0.1263 0.3404 0.1263 0.1263 0.1263 0.1263 3.1731 3.7036 0.1263 1.8061 0.2460 0.3668 0.1263 0.1263 0.1263 1.6801 0.1263 0.1263 0.1263 1.4073 0.7768 0.3562 0.1263 0.8020 0.1263 3.0455 0.1263 3.1268 lysine 0.9270 0.7302 0.9849 0.7766 1.1601 1.0194 1.1624 1.1718 0.9076 0.9536 1.0660 1.0650 0.8402 1.0128 1.1214 1.0677 0.9435 0.7824 1.1916 0.9217 1.2016 0.9622 1.1303 1.0111 1.2164 0.7758 0.8847 1.2561 0.8093 0.5576 0.8770 1.1905 0.8310 0.8663 1.0080 0.8660 1.0917 1.1183 0.5467 1.1805 1.1514 0.9925 0.8846 0.8371 0.6285 0.6596 1.0455 1.2969 0.7737 1.0835 1.1475 1.0124 0.7960 1.0408 1.1185 0.6914 1.1968 1.0883 1.1182 0.7277 0.8366 0.8418 0.8223 1.1442 0.7377 1.1423 1.2232 0.9220 0.8548 1.2159 1.0000 0.9948 1.2583 0.6829 1.0449 malate 1.0000 1.0221 1.0320 1.0937 0.9360 0.8543 0.9314 0.7944 0.8836 0.9271 1.2054 1.2682 1.0083 1.1209 0.9818 1.0802 1.1930 0.9702 1.1521 1.1334 1.2933 0.6264 1.4993 0.8879 0.9193 0.8489 1.2324 1.0480 0.8267 1.4374 1.3329 1.1472 0.7901 1.0422 1.1675 0.8311 0.9846 1.0475 1.3726 0.9595 1.0484 0.9174 0.8917 1.0226 1.1718 1.0432 1.2075 0.8312 0.9834 0.8904 0.9299 0.8155 1.0378 1.1913 0.8438 0.9310 1.2995 0.8511 0.6742 0.6437 2.1032 1.3326 0.7486 0.7042 0.7849 0.6642 0.8110 1.1621 0.7291 1.2326 0.7481 1.1984 1.2063 1.3276 0.9416 maleate 0.7707 1.4075 0.9925 1.1847 0.9264 1.0000 0.9382 0.7923 1.1618 1.2173 0.9966 0.9798 0.7319 0.6726 1.4622 1.0937 0.7318 1.3562 0.9202 0.8273 1.2028 0.8301 1.0670 1.0049 0.7553 1.0996 0.9911 2.7887 1.4076 1.6020 1.2202 1.3757 0.9103 1.2451 1.0998 1.1599 0.9842 0.8118 1.7677 1.1354 1.0918 0.9426 0.9324 0.8704 0.9721 1.8144 0.8493 0.8254 1.3978 1.2603 1.3098 0.7780 1.2995 1.7470 0.9350 0.7174 1.0223 0.9294 1.2727 0.7211 1.0972 1.0672 0.9243 1.0564 1.0324 0.7835 0.9955 0.9325 0.8887 1.4540 0.7088 0.8720 1.0507 0.9051 1.2595 malonylcarnitine 1.2280 1.0160 1.0065 1.1048 1.7288 0.8390 0.9310 0.7988 1.0210 1.0000 1.4453 1.0388 1.4049 0.4807 1.6431 1.4085 0.7910 1.7033 2.6496 1.0918 1.1194 0.8664 0.9317 1.2037 0.5217 1.0820 0.4828 1.4372 0.8253 1.2305 1.0397 1.4935 0.7018 0.9195 0.9898 0.6985 1.1400 0.9161 1.0887 0.4493 1.1622 1.5059 1.0429 0.9160 0.7007 1.0231 0.8131 0.5875 1.2203 1.0684 0.7357 0.9331 0.9934 1.9322 1.0556 0.5137 0.4013 0.7339 1.4922 0.8831 0.6581 0.8461 1.2070 0.8018 1.0374 0.7664 1.3080 1.0141 1.0178 0.7024 0.8089 0.9922 0.6754 0.8333 0.8911 maltose 0.1480 0.5559 1.0475 1.6212 0.4451 1.4016 0.9090 1.0366 2.2018 1.4467 1.1525 1.2853 1.4826 1.4094 1.2659 1.0980 1.2788 1.8412 0.1480 2.2530 0.1480 1.0814 0.7709 1.7801 0.8238 0.6564 0.7846 0.2700 0.8758 2.2718 1.5611 0.5841 0.1480 1.1752 0.4582 0.1480 0.1480 0.9052 2.1923 2.4112 0.7411 0.6312 0.6501 2.4253 3.8699 0.9514 0.3166 1.0329 1.7876 0.1480 0.1480 1.0928 0.5354 2.8798 0.3671 0.1480 0.2028 0.7959 0.5379 0.7989 0.6558 1.6357 0.4552 1.1052 0.9671 0.1480 1.0564 0.4564 0.5514 0.1480 3.5355 0.5364 0.5198 0.7678 0.1480 maltotetraose 0.1933 0.1933 0.1933 0.9833 0.3402 2.3577 0.8048 0.2413 1.6323 1.3537 1.0927 0.8555 1.0462 0.6445 0.2073 0.1933 1.3414 0.1933 0.1933 0.6908 0.1933 1.4449 0.1933 3.1032 0.2695 1.9709 0.3669 0.1933 0.1933 0.1933 0.1933 1.4876 0.1933 0.7150 0.8080 0.1933 2.0240 1.5763 2.5420 0.1933 0.1933 1.0167 0.1933 0.1933 0.1933 0.1933 0.1933 0.3009 0.3555 0.1933 0.1933 0.1933 0.1933 1.4472 0.1933 0.1933 0.1933 0.1933 0.1933 0.4050 1.2415 0.1933 0.4367 0.3276 1.3149 0.1933 2.0205 0.1933 0.2952 0.2557 1.8295 1.0179 0.2300 2.1623 0.1933 maltotriose 0.3795 0.7015 0.6755 0.8977 0.7913 2.1724 1.2237 0.6589 1.3889 1.8340 1.7424 0.8252 1.6911 1.6299 0.7309 1.3257 0.9894 0.7983 0.0545 1.0106 0.0545 1.4010 0.9207 1.7491 1.1321 1.1535 1.0628 0.0545 0.5430 1.7888 1.6213 1.4393 0.1278 1.2198 1.0235 0.0545 1.3379 1.7458 2.0220 1.7720 0.3858 0.9861 0.8028 1.8291 1.1750 0.7985 0.2143 0.8920 1.2102 0.0545 0.1688 0.4087 0.6351 1.6993 0.7578 0.0545 0.5878 0.2036 0.0545 1.1932 0.9566 0.8014 0.7241 1.3067 1.2078 0.2799 1.7946 0.2347 0.6611 0.0545 2.7405 1.1291 0.9644 1.4173 0.7639 mannitol/sorbitol 0.7420 1.0764 0.7244 1.2611 0.8701 4.2500 1.3850 0.6939 0.6602 1.1900 0.8000 1.0535 1.2281 0.9370 0.8638 1.0975 0.8107 3.5131 1.1794 0.8931 0.7980 1.1467 1.3715 4.4402 0.9202 0.8559 1.2792 1.1250 0.9168 1.0199 0.8291 0.9919 2.1022 1.4713 0.8884 1.0978 1.4134 0.7582 1.0276 0.7392 9.0672 1.0000 1.1692 0.6473 0.8137 3.1740 1.0238 0.6753 5.0201 1.8770 1.0100 0.9775 1.1267 0.6897 0.6716 0.5456 3.9453 0.7074 1.0880 0.5269 0.7687 1.3310 1.2021 0.9044 1.3207 0.6994 0.6809 0.8093 0.7203 1.0472 0.7170 0.6686 0.7962 1.1382 1.1141 mannose 0.7282 1.0286 0.9121 0.7740 1.0330 1.1059 1.1631 0.8048 1.3576 1.1868 1.2065 0.9270 1.1756 0.6567 1.0819 0.9191 0.8530 0.7537 0.7547 1.0226 0.7890 1.1493 0.9095 1.0327 0.8057 1.1213 0.6053 1.0000 1.2288 0.9852 0.6869 1.0727 0.9270 0.9138 1.1201 1.0000 0.8800 1.1316 0.8777 1.0521 0.8714 1.2251 1.0339 1.1758 1.3002 1.1328 1.2543 1.2740 0.8618 0.7080 0.8334 0.8931 0.8997 0.6519 0.9744 0.8162 1.0425 0.9740 1.0314 0.8586 0.9042 0.5879 0.8509 1.4586 0.6237 1.0533 0.8018 1.1571 1.0788 1.0859 1.0315 0.7050 1.0193 1.0370 1.0052 margarate (17:0) 1.0265 0.9047 0.9659 1.0450 0.9587 1.0354 0.4928 1.1851 1.4821 0.8744 1.0998 0.8675 1.9766 1.2863 1.0269 1.1982 0.9592 0.6711 0.6821 1.0628 1.7604 0.7121 1.5496 1.0474 0.8413 0.8438 1.0199 1.0000 1.0543 0.9863 1.4939 0.8123 1.0721 0.9135 1.8032 0.8061 1.1764 0.7710 1.0765 1.3608 1.0286 0.7042 1.3369 1.0951 1.6034 0.6057 1.1133 0.6116 1.0625 0.7489 0.9902 1.1703 0.5379 2.0135 1.1445 0.7723 0.7295 1.1771 0.5297 1.2241 1.4980 0.4486 0.7229 0.9527 0.4074 0.5145 0.9407 0.9748 1.0924 0.9968 0.6028 0.6031 1.2314 1.1182 0.8000 margaroylcarnitine* 0.5218 0.7832 1.8057 0.9117 1.7730 0.9464 0.8754 0.8743 1.0721 0.8715 1.2481 0.9382 0.8891 1.1313 1.5047 1.3009 0.9764 0.3758 1.4536 0.7506 1.6774 0.7118 1.8438 1.4755 1.0215 0.9353 1.0663 1.4888 0.8204 0.9481 1.1514 1.3083 1.0000 0.9467 1.6986 1.0134 1.4287 1.2973 0.6972 1.4377 1.4234 1.0513 1.0158 0.7931 1.4078 0.8695 0.5385 0.7566 1.6014 0.6188 0.6481 0.9872 0.2111 1.1237 1.4416 1.1246 1.5405 1.5397 0.6359 0.7893 1.4835 0.4397 0.6703 0.9110 0.3123 1.0887 1.3704 0.8039 1.3911 0.7292 0.5832 0.8444 1.5546 1.2308 0.8410 mead acid (20:3n9) 1.0331 0.7191 1.0519 0.6981 0.5992 0.9078 0.3720 0.9398 1.3628 1.1472 0.8039 0.8022 1.5700 0.5049 1.5291 1.5163 1.1499 0.7024 0.8468 0.7489 1.0919 0.7283 1.3103 1.0003 0.6030 1.1194 0.4459 0.6831 0.7389 0.7332 1.1088 1.3050 1.0984 1.0731 2.1182 0.3655 1.1164 1.0510 1.3099 1.1232 0.6237 1.6011 1.7099 1.6085 1.1727 0.8795 1.0000 0.6504 0.5239 0.6212 1.0557 1.2347 0.2728 1.6771 1.6303 0.5414 0.7704 0.8839 0.3261 1.2012 2.8205 0.3280 0.7938 1.0396 0.4279 0.6153 1.0056 1.1704 1.1711 0.9751 0.8794 0.8012 1.3265 1.4738 0.4828 methionine 0.9627 0.9577 1.3987 0.8547 1.0732 0.9987 1.2361 1.0863 0.6766 0.7933 1.1239 1.2212 1.0288 1.0634 0.9650 1.2488 1.0511 1.0487 1.1898 1.0443 0.9432 0.8604 1.3331 1.0901 1.1560 0.8526 0.9425 1.0000 0.9049 0.6339 1.0863 1.1730 1.0671 0.9267 0.9063 0.8097 1.0393 1.1888 0.8340 1.1126 1.0714 1.1056 0.8660 0.8104 0.8282 0.9807 0.9975 1.1246 1.1921 0.9612 1.0350 1.1391 0.9450 0.9668 0.9138 0.8284 1.0093 0.8307 1.2224 0.4729 0.9850 0.8386 0.8477 0.9984 0.7193 1.0282 1.3461 1.2328 0.9816 1.0066 0.9892 1.0433 1.3021 0.9313 1.0261 methionine sulfone 0.8483 0.8544 0.8460 0.8974 1.2799 1.4204 1.2953 1.0972 1.1348 1.1059 1.0062 1.0327 1.5310 0.9558 0.9314 1.1350 1.1444 2.6466 0.7406 1.2227 1.0326 0.8552 1.0000 1.3920 0.8396 1.3717 0.7747 1.6654 0.9721 0.8808 0.8135 0.7479 0.7782 0.6833 0.7321 0.4915 1.0208 1.1903 1.0866 0.5444 2.0181 0.8130 1.1757 1.0550 1.0716 1.9965 0.6030 0.6873 0.8662 1.3002 1.6245 0.6759 1.2070 0.8605 0.6060 0.9380 0.9394 0.6038 0.5434 2.0894 0.8564 1.6444 1.2041 1.3965 1.0443 0.7857 0.9767 1.1940 1.2115 0.7443 0.9350 1.6426 1.1776 0.9147 0.6482 methionine sulfoxide 1.1439 1.0327 1.0756 1.2955 1.0961 0.7813 1.0394 1.0169 0.7609 0.9631 1.0409 0.9983 1.5540 1.1128 0.9129 0.9362 1.2503 1.2916 1.0234 1.1761 0.8990 0.9734 0.9385 1.0947 1.1401 1.0000 0.7901 0.8186 0.9113 0.5768 0.8583 0.7659 0.9273 0.7547 1.0474 0.8049 1.0092 0.9682 0.8887 0.8711 0.8931 1.0860 0.9621 0.8070 0.7171 2.8252 1.1723 1.0606 1.2944 1.0848 1.0123 0.9699 1.3497 0.9117 0.9513 0.7034 1.2699 0.8339 0.8922 0.6239 1.0791 0.8016 1.0221 0.7864 1.0113 0.9807 1.0239 0.9642 1.0420 1.2355 1.3521 1.2019 1.1161 1.0703 0.9830 methyl glucopyranoside (alpha + beta) 0.5762 2.4813 0.3885 3.2788 0.5646 0.6076 0.6238 0.6839 24.4898 1.0794 0.3002 0.6572 4.8111 3.3579 2.0612 1.9662 2.9172 2.6732 4.7649 1.3408 0.4762 0.5231 0.3318 0.9989 0.3073 0.8460 18.2837 0.9440 0.1559 1.1008 0.7753 0.5936 0.6455 6.8186 4.8194 0.3377 1.7622 0.5155 6.7030 0.3372 0.7848 2.9056 0.8507 1.9418 0.3702 2.0338 0.1559 0.3005 1.1431 2.4328 1.3984 0.1559 3.9784 0.5599 0.8284 0.6007 0.7863 0.6846 0.5735 1.1983 1.1104 2.4245 5.7270 0.1559 1.9467 0.8353 0.4482 0.4626 0.9217 2.7452 1.0011 4.5833 3.1492 18.4848 1.2360 methyl indole-3-acetate 0.3071 0.7031 0.7521 4.3191 1.4757 1.8739 1.4620 1.0063 1.1917 0.5656 1.5400 1.4219 1.1159 0.3071 1.1343 0.3071 0.8055 1.1149 1.0861 1.7605 1.1210 0.3071 1.9778 1.0680 1.9005 0.6536 0.3071 0.5918 0.9727 0.9767 0.3071 1.2025 1.3290 1.1062 0.5171 0.9937 0.9438 0.5617 0.3970 0.7797 0.8851 0.7354 0.7736 0.8855 0.3698 1.4785 0.9659 0.4524 1.3215 0.9077 0.6507 1.0090 1.7518 0.9587 0.5957 1.0866 1.6114 0.5821 1.6975 0.9146 1.2539 0.8187 1.1690 2.0963 1.7300 0.7523 0.7010 0.5928 1.2759 0.8772 0.6983 1.2697 5.5529 0.5320 2.4164 methyl-4-hydroxybenzoate sulfate 5.6515 0.0107 0.0860 5.9398 15.4042 0.0601 0.1340 0.3429 0.8679 3.6082 0.0153 0.1345 8.5352 0.8972 0.1003 0.0107 2.4294 0.9451 0.4078 4.1399 5.1345 1.2449 0.8501 0.1012 0.2465 0.0107 0.1989 0.1797 0.5491 3.9180 22.4977 8.3060 0.1881 5.7242 1.5425 1.3039 1.0000 7.4397 0.9043 12.6827 1.9982 0.0502 2.9590 0.3007 0.1950 3.1924 7.2723 32.3331 0.1960 8.6007 0.2069 2.3901 6.8206 3.3636 0.2085 18.8147 0.3720 0.0169 0.4471 0.4605 7.0580 2.1848 1.8197 0.5401 1.6274 3.7354 0.0396 1.3526 0.1306 2.3376 0.4977 0.1801 0.2256 3.6345 5.3112 methylmalonate (MMA) 0.9057 0.0600 0.9394 0.9213 1.1794 1.4999 1.2052 0.5477 1.2481 0.0600 1.0878 1.1624 0.3584 0.0600 1.9801 1.1229 1.2587 1.5410 1.7383 0.6988 0.9714 1.0467 1.1979 1.1489 0.0600 1.1952 0.0600 0.5165 0.8569 1.0575 0.8091 0.5021 0.0600 1.3806 1.1174 0.7557 0.0600 0.1554 1.8646 0.8089 0.8045 0.7541 0.0600 0.0600 0.4562 1.9124 0.5483 0.7320 1.0140 0.0600 0.1893 0.7946 1.0000 1.1032 0.7540 0.0600 0.0600 1.0944 3.1738 0.0600 1.6206 1.4001 0.8492 0.0600 0.4647 0.8205 2.2929 0.9272 0.8548 0.0600 0.8255 0.0600 1.5589 0.0600 1.2210 15-methylpalmitate 1.1290 1.1973 1.1295 1.1481 0.9191 0.9192 0.4530 1.1860 1.7771 0.9240 1.0111 0.7923 1.6693 1.1262 1.1173 1.3186 1.2027 0.3065 0.8233 0.7920 1.7344 0.9293 1.3590 1.1126 0.8730 1.2289 1.1286 1.0194 0.9161 0.6809 1.3108 0.8152 0.9547 0.9165 2.3623 0.7192 1.8568 0.8551 1.0430 1.6679 1.1956 0.5116 1.6914 1.1325 1.7411 0.3628 1.0190 0.5518 0.9383 0.4557 0.9066 1.6295 0.2098 1.6741 1.3564 0.9494 0.8463 1.0000 0.3862 0.9353 2.1111 0.2942 0.8374 0.8469 0.4192 0.5103 0.9857 1.1021 1.1270 1.2714 0.4141 0.7413 1.1405 1.6944 0.6908 methylsuccinate 1.1327 1.4747 0.9122 0.7959 0.9077 1.7281 1.0612 0.5412 0.7857 1.5305 0.7421 1.2746 0.7918 0.9438 0.8935 0.9067 0.9122 1.8884 1.3371 0.8727 1.0663 0.9585 1.1929 0.8355 1.9117 0.5673 1.1430 1.2492 1.2877 0.8233 1.5944 1.5250 1.2745 0.8860 1.2625 1.2861 0.9185 1.1815 1.2008 0.8837 0.8522 1.0000 1.9777 0.5499 0.6653 1.3884 0.6020 0.6032 0.9318 1.4787 1.4424 0.8838 1.8739 0.7536 1.0062 1.4683 1.3242 0.9058 0.8596 1.1142 1.0563 1.1044 0.9343 1.1069 0.8440 0.8398 0.6455 0.8210 1.1210 0.8592 0.6875 1.1039 0.6919 1.8641 1.0133 myo-inositol 0.5348 1.5023 0.3617 0.6367 1.3922 1.2877 1.0000 0.4245 0.4364 1.4380 1.2644 0.7386 1.7556 1.5070 0.5875 1.3079 0.7884 0.8000 0.7663 0.5596 0.6985 1.0531 1.2672 0.7127 1.1339 1.3474 1.6851 0.3603 0.5041 0.6618 1.2507 1.4497 0.8899 0.8385 1.6971 0.7459 1.6876 1.2638 1.0869 0.4157 0.5693 1.6155 1.2340 1.3325 0.3791 1.0488 0.5517 0.5328 0.6640 1.9945 1.2912 0.4914 1.3499 0.5354 1.1674 1.0598 1.2510 0.4575 0.4173 1.2806 0.9021 0.7331 0.9518 1.4132 1.7047 0.9445 1.2098 0.6766 0.6618 1.5700 0.5957 1.5175 1.4925 1.1131 0.9738 myristate (14:0) 1.2614 1.5742 0.7927 1.3942 0.6648 0.7014 0.2939 1.0792 1.5838 0.9363 0.9912 0.6377 1.5153 1.3391 0.8750 1.1313 1.4618 0.6466 0.8467 0.8476 1.4784 1.0126 1.3729 1.0000 1.2032 1.3366 1.3360 1.0851 0.8752 0.9446 2.0549 0.5682 0.7355 1.2645 2.3592 0.7096 1.8716 0.7681 1.6685 1.0620 1.0109 0.5611 1.6893 1.2601 1.5862 0.5456 1.2307 0.5213 0.6648 0.7102 1.1975 1.7986 0.2585 1.6320 1.0160 0.7135 0.4455 1.0717 0.3582 0.8247 3.0906 0.4338 0.6697 0.7822 0.5121 0.4227 0.6287 1.3501 0.6363 1.5298 0.4521 0.9630 1.3938 2.8559 0.6708 myristoleate (14:1n5) 1.7520 1.6135 1.2077 1.3133 0.6442 0.6906 0.2204 1.2709 1.8373 1.0000 0.8417 0.7323 1.1357 1.4668 0.9621 1.1066 2.1812 1.2296 0.9092 0.7084 1.3134 1.7848 1.0136 0.8890 0.7592 2.4888 1.8241 0.9121 1.1806 0.8558 2.0333 0.7944 0.3552 1.4366 2.3808 0.6341 1.9641 0.6466 2.3588 1.1746 0.9773 0.5179 1.5776 1.1867 1.6206 0.3704 1.8254 0.3186 0.3817 0.5052 1.0868 3.9386 0.3198 1.2176 0.8580 1.4334 0.5877 0.8540 0.2162 1.0523 4.8399 0.3758 0.7088 0.5815 0.5398 0.3431 0.5062 2.0989 0.8793 1.3274 0.5235 1.3388 0.9636 4.4940 0.7718 myristoleoylcarnitine (C14:1)* 0.9994 1.4578 1.6777 0.3878 1.0280 0.6174 0.8360 0.7090 1.0743 0.6677 1.2298 1.1858 1.0689 2.1147 1.2878 0.9870 1.1405 1.5419 1.2111 0.7754 1.3820 0.5450 1.1865 0.7360 1.0458 2.5112 1.1319 1.3839 1.1375 0.9782 0.8144 1.0000 0.5354 0.7998 1.1137 0.4407 1.4689 1.2628 0.9511 1.1679 0.8526 0.8942 1.0106 0.7831 0.9618 1.4982 1.1631 0.2623 0.8402 0.3917 0.5595 0.7942 0.8081 0.9441 0.8244 1.7953 1.3339 1.0000 0.4468 2.0222 1.7608 0.3714 0.5097 0.5156 0.2757 0.9631 1.1852 1.4893 2.6654 1.1267 0.3308 0.8376 1.2121 1.6709 0.6348 myristoyl dihydrosphingomyelin (d18:0/14:0)* 1.1385 1.2352 0.8105 1.1469 0.6441 1.2703 0.7337 1.2031 1.2071 1.2846 1.2556 0.5567 1.2942 0.8076 0.6898 0.6824 1.3432 0.5849 0.9057 1.2387 0.9180 0.8041 0.8394 1.6543 1.1959 1.0751 0.9878 0.9387 1.1630 1.0730 1.1194 1.0312 0.9746 0.5470 1.2188 1.1851 1.2718 0.8144 0.7785 1.0562 1.4800 1.1289 0.9789 0.9826 0.5225 1.0888 1.1159 0.7331 0.8471 0.6613 0.6190 1.9476 0.7958 0.9431 0.9457 0.9824 1.0826 1.0601 0.6929 0.4508 1.4463 1.0000 1.1499 1.5149 1.3839 1.0899 0.5796 0.8128 0.9391 1.0309 0.7374 1.2103 0.8488 1.4294 0.7307 myristoylcarnitine (C14) 0.8131 1.2496 1.7011 0.7511 1.2477 0.5314 0.8059 0.5995 1.1222 0.6752 1.2667 0.8714 0.8949 1.3663 1.2884 0.9020 1.2125 0.9260 1.4429 0.7044 1.6536 0.6399 1.5164 1.1149 1.2634 1.4244 1.0023 1.4608 0.9797 0.8114 0.9543 1.0644 0.8349 0.9719 1.4967 0.6568 1.5731 1.3899 0.8194 1.3985 1.0215 0.8951 1.0821 1.0000 1.0549 1.1333 0.9649 0.4917 0.8797 0.5210 0.6447 0.7628 0.2530 1.2037 1.1151 1.2321 1.3740 0.9471 0.5451 1.1553 1.7877 0.4712 0.5462 0.6829 0.3172 1.0873 1.0840 1.2541 1.9048 0.9087 0.4078 0.6635 1.7435 1.4149 0.9223 N-(2-furoyl)glycine 0.3835 0.3835 0.5501 0.9174 1.9982 0.9808 1.2485 0.6712 0.3835 1.2142 0.6136 0.9399 1.1016 0.3835 0.6289 0.7188 0.4459 2.0413 1.4950 1.7046 0.3835 0.5591 1.3284 1.9023 1.5013 0.3835 0.3835 21.9416 1.5803 1.0215 0.7471 0.6581 0.9549 0.9808 0.3835 0.7704 0.5922 1.0192 1.0255 0.3835 0.5719 1.0878 0.8021 1.6171 0.3835 2.8128 0.4399 0.3835 2.2779 1.7580 0.3835 0.9651 2.0573 0.6815 0.8566 0.3835 0.3835 0.6796 2.1396 0.3835 0.3835 1.5742 0.8549 1.4753 1.7684 2.0438 1.0411 0.9778 1.4165 0.3835 0.3835 0.4988 0.3835 0.6408 0.3835 N(4)-acetylspermidine 0.8239 0.8952 0.7300 1.1071 1.4686 1.2227 1.4982 0.7293 1.0177 0.8868 0.9306 1.2720 0.6490 0.9752 0.9764 1.4270 1.2111 1.8405 1.1385 1.2458 1.0788 0.7639 1.2733 1.0405 0.9646 1.0463 0.9416 1.2490 1.0733 1.2755 1.0153 1.0382 0.7250 1.0238 0.7835 1.1952 0.9352 0.8657 0.9304 0.9574 1.6669 0.9690 0.8365 0.9039 0.7829 1.2767 0.7713 1.0732 0.8586 1.2114 0.9552 0.7813 1.2434 0.8163 0.8125 0.6175 1.0762 1.0406 1.0000 0.5400 1.3587 1.0256 0.8862 0.8225 0.5251 0.8144 1.1347 0.8309 1.2673 1.0318 0.6727 1.1202 1.4478 0.8981 1.0347 N1,N12-diacetylspermine 0.7372 0.4929 0.4929 0.4929 0.6898 1.6609 0.7216 1.4824 0.4929 0.9765 0.6702 0.9085 0.4929 0.4929 1.0509 0.6795 0.4929 0.4929 0.4929 1.2988 0.6714 0.4929 0.8119 0.4929 0.4929 0.9322 0.4929 0.4929 0.7832 0.6202 0.7111 2.0464 0.4929 0.4929 0.9345 0.8944 0.9764 1.3294 0.8145 1.2157 2.1896 0.4929 1.3923 1.8961 3.0915 1.1316 4.0923 1.1842 0.4929 0.4929 1.2884 1.5653 0.4929 0.8119 2.1841 1.9030 0.4929 0.6728 0.4929 0.7699 0.7004 0.4929 0.6286 0.4929 1.4225 0.4929 0.4929 1.1370 0.4929 0.6512 1.3688 1.7484 1.0235 2.3351 0.4929 N1-Methyl-2-pyridone-5-carboxamide 0.7561 1.0000 0.7836 0.5368 0.4475 1.9125 1.6195 1.5621 1.0097 1.6327 1.5890 0.7773 1.1753 0.3981 1.7868 1.3876 0.9714 0.9530 1.7075 1.1915 1.1371 0.6593 1.2834 1.6829 1.3235 0.7072 0.4363 0.9032 1.5354 0.6483 0.9482 1.3942 1.3483 0.7639 0.8471 0.6047 1.0707 1.4286 0.4783 1.3087 1.3125 0.8819 1.1716 0.7316 0.4705 0.3405 0.5396 0.6684 0.7049 1.4905 1.1329 1.4014 1.2737 1.6393 1.1160 0.7656 1.2857 1.2878 0.8122 0.7922 0.3853 0.5790 0.8264 1.9202 0.9066 1.1649 1.1106 1.1003 1.7802 0.9311 0.6747 0.9113 1.3104 0.5303 0.8398 N1-Methyl-4-pyridone-3-carboxamide 0.6408 0.8470 0.6940 0.4447 0.4264 1.8859 1.6901 1.1385 0.9698 1.7371 1.5447 0.7350 1.3865 0.2589 1.5386 1.0906 1.0055 1.0000 1.9807 0.8241 1.2007 0.7470 1.4866 1.4137 1.6345 0.7178 0.3927 1.2845 1.5172 0.5515 0.8955 1.2833 1.0569 0.5466 0.8009 0.5314 1.0102 1.4722 0.4260 1.2807 1.4797 0.7871 1.1050 0.5769 0.4605 0.3557 0.7142 0.7807 0.7227 1.3043 1.1408 1.5345 1.2739 1.3628 1.5046 0.7930 1.5835 1.2123 0.6269 0.8487 0.3379 0.5284 0.5847 1.8373 0.6266 1.2020 0.9643 1.1157 1.7077 0.9283 0.5503 1.1048 1.3469 0.7553 0.7754 N1-methylinosine 0.8210 0.9823 1.3350 1.0282 1.3992 1.3322 1.5886 0.6568 0.8838 1.1161 1.2223 1.2607 1.3887 0.7217 1.1193 1.1542 1.2890 1.1046 1.0125 1.4872 1.1951 0.8290 1.3094 1.4010 0.8448 0.7887 0.5125 0.9905 1.4126 1.3922 0.9376 1.1221 0.7199 0.7581 1.1162 0.8302 0.7831 0.8419 0.8244 0.6981 1.2937 1.1842 0.9183 0.7982 0.7349 1.5458 0.8448 0.8892 0.9345 1.3318 0.8725 0.9892 1.1470 1.1795 1.1188 0.6335 0.9826 1.0137 1.0000 0.6324 1.2357 0.9496 0.8309 1.1015 1.0140 1.0325 0.8049 1.4400 0.8156 0.9085 0.6686 1.0168 1.2242 0.7323 0.6983 N2,N2-dimethylguanosine 0.8293 1.0000 1.0303 1.0149 1.2852 1.1214 1.3300 0.7444 1.0457 1.0381 1.0153 1.1078 1.3516 0.7616 1.2003 1.0990 1.2631 1.2571 1.1283 1.6555 1.1931 0.7995 1.3544 1.4044 0.7651 0.8630 0.6643 1.2934 1.4131 1.2735 0.8202 1.1506 0.8541 0.7905 1.1147 0.9077 0.8717 0.9061 0.7957 0.8125 1.0658 0.9298 0.7839 0.7628 0.8666 1.2459 0.8327 1.1285 1.1040 1.0716 0.9626 1.0726 0.9706 1.1660 0.7945 0.7733 0.7992 1.0108 0.9970 0.7180 1.1603 1.0518 0.9425 0.8810 1.0020 0.9386 0.7394 1.2672 0.9133 0.8032 0.8103 0.9160 1.1529 0.7825 0.9016 N2,N5-diacetylornithine 0.7131 0.9334 1.3583 1.2135 0.6352 0.8125 0.5544 0.5028 0.4647 1.0008 0.3351 0.7648 0.7428 0.6720 0.7229 0.6183 0.7200 1.7836 0.9022 0.8655 1.3888 0.5446 1.1999 1.1364 1.1653 0.7416 1.1164 2.0183 1.0634 1.0941 1.2899 1.3455 0.7100 0.4611 0.7347 0.8866 1.3003 1.0000 1.3214 0.7212 1.5388 1.0677 1.1031 0.7296 0.7096 4.9901 0.9413 0.7928 1.3613 3.1948 1.1214 0.9467 1.6259 0.6190 1.2955 0.8543 1.2446 1.0246 1.0902 0.7763 1.8073 1.6438 0.7630 0.8595 1.2510 1.4015 0.8044 0.8799 0.7912 1.3703 1.0734 1.1343 0.9101 1.0075 1.0539 N2-methylguanosine 1.4084 0.8582 0.7775 0.6697 0.7003 0.9667 1.3398 1.5191 1.1018 1.2931 1.0137 0.5937 1.8138 0.9260 1.2665 0.6695 1.2530 0.7335 0.8809 1.3472 0.5037 1.1752 0.9575 1.4295 1.5694 1.0760 0.9977 0.6539 1.6954 0.5037 0.9172 1.0986 0.5037 0.8588 0.8448 0.8250 0.9761 0.8563 0.7445 0.6970 1.1835 0.8295 0.6576 1.0464 0.9039 0.5037 1.2997 1.0023 0.7514 1.0882 1.1094 1.4084 0.5037 1.4125 0.7064 1.1450 0.5037 1.0852 0.5824 0.9571 0.6995 0.9264 1.3232 1.0730 0.5037 0.5167 0.7862 2.1825 1.4131 1.1227 1.3613 1.0963 1.2988 0.5037 0.5631 N4-acetylcytidine 0.6504 2.1212 1.1131 1.7961 1.2234 1.2504 2.1520 0.4275 1.1914 0.4624 1.1267 0.4412 2.4534 0.4434 1.0056 0.7807 0.5521 0.9780 0.2496 1.0237 0.9944 0.4645 0.2496 1.2662 0.6374 1.7827 0.9167 1.3948 1.5377 0.8395 1.0453 0.8960 2.0817 0.5556 0.6536 0.4786 2.6606 0.5136 1.0909 0.2496 0.7496 1.1110 1.3505 0.8417 0.7969 1.5339 1.2406 0.2496 0.5305 1.2389 0.9488 0.4790 0.6872 1.3582 1.6776 0.5580 0.7572 0.6755 1.7048 0.5754 1.3468 1.1219 0.8663 1.0915 1.0550 0.9732 1.0754 0.5108 0.5758 0.8506 1.1909 1.2258 1.1526 1.7764 0.8050 N6,N6,N6-trimethyllysine 0.6874 0.7354 1.0438 0.6245 1.3682 1.2468 1.6829 0.8377 0.9206 1.3215 1.3692 1.5167 0.8666 0.8268 1.2905 1.1265 1.6451 0.8619 1.8904 0.8621 1.3319 0.6622 1.3345 0.9720 1.0945 0.6416 0.6462 1.4913 0.9621 0.7582 0.6960 1.1031 1.0000 0.6322 0.7815 0.8817 1.4466 0.8439 0.6051 0.9412 1.2377 0.9959 0.5358 0.6078 0.9527 0.9703 0.7512 3.4478 1.0533 0.7491 0.9950 1.1489 1.0762 0.6770 1.1749 1.9734 1.7356 1.5690 1.2530 0.7106 1.1608 1.0191 1.0585 1.0728 0.9427 1.2771 1.2942 1.1911 1.7992 0.9406 0.7340 0.7448 1.9785 0.7680 1.1127 N6-acetyllysine 0.8873 1.1587 0.9479 1.2536 1.1861 1.3052 1.3866 0.7139 0.9125 0.9859 1.1765 1.1968 0.9121 0.6713 1.2547 1.0557 0.7738 0.8522 1.1913 1.0470 1.0509 0.8540 1.0640 0.9911 1.0680 0.9028 0.7968 1.4021 1.0049 0.7457 0.8724 0.9980 0.6992 0.7635 1.2256 0.9146 1.0146 1.1592 1.0690 1.0000 1.2965 0.8457 0.9454 0.8869 0.6248 1.5567 0.8426 0.8624 1.2573 1.4989 1.2104 0.9074 1.3624 0.9484 1.2774 0.8259 1.1498 1.0408 0.9086 0.7585 0.9244 1.2058 1.0910 0.7231 1.1231 0.9140 1.0002 1.0720 0.8884 1.1215 0.7408 0.9374 1.2979 0.7684 1.1210 N6-carbamoylthreonyladenosine 0.8789 1.1299 1.0096 0.9399 1.5303 1.1860 1.5883 0.7855 0.9232 1.1303 1.1011 1.2146 1.1606 0.7109 1.1971 1.0413 1.1790 0.9779 1.0926 1.3696 1.3510 0.8197 1.1501 1.1497 0.9231 0.9687 0.7173 1.2105 1.5386 1.1481 0.9305 1.2421 0.8737 0.8051 1.1157 0.7954 0.9963 1.0669 0.8204 0.8199 1.0993 0.8601 1.0540 0.8036 0.9586 1.3415 0.8529 0.8300 1.0658 0.9656 1.0929 0.8819 1.0700 1.1492 0.8219 0.9555 0.9989 0.9864 1.1683 0.8167 1.2255 1.0114 0.8421 0.9315 0.9921 1.0423 0.8539 1.0494 1.0000 0.8842 0.7678 1.1610 1.3034 0.9910 0.8286 N6-carboxymethyllysine 2.0203 1.6351 2.9190 0.9786 1.6252 1.0671 1.2700 0.8863 0.5226 1.6255 1.3936 0.9628 0.8836 0.7182 0.2305 2.0067 0.8763 1.4686 0.9083 0.9772 1.1244 1.4723 1.0000 1.0606 0.8488 1.1040 1.2123 2.0412 1.6732 1.6415 0.9168 1.1929 0.8015 2.2430 1.4567 1.3858 1.3253 1.3061 1.0426 1.5658 1.3682 1.2135 1.1240 0.6000 2.1114 0.8607 0.6710 0.7875 1.1283 0.6683 0.7675 0.6731 1.5111 1.0062 0.6783 0.3624 1.6609 0.4310 0.5509 0.3077 0.2633 0.7670 0.6627 1.1549 0.9486 0.6458 0.6173 0.5040 0.9640 0.4972 0.6945 0.6569 0.4794 1.0404 1.3991 N6-methyladenosine 0.6538 0.7495 0.6538 0.6538 1.2028 0.6538 0.8967 1.4989 0.9635 1.2435 0.7232 1.2488 1.4321 0.9479 0.9591 1.4186 0.6538 0.6538 0.6538 1.4645 1.7168 0.7801 0.6538 1.1142 0.6538 0.6761 0.6538 0.6538 1.3254 0.6538 0.6538 1.1190 1.2466 0.8808 0.8903 0.6538 0.9081 0.6538 0.8463 0.8412 1.3877 0.6538 0.6538 0.9616 0.7410 1.8096 0.6538 0.7775 0.6538 1.2577 0.6538 0.6538 0.6538 0.9134 0.6538 0.6538 1.4292 1.7027 0.9429 0.6538 1.1665 0.8142 0.6821 1.3413 0.7713 0.6538 0.6538 1.1726 1.0376 0.6538 1.0365 0.7661 1.1079 0.6538 0.6538 N6-succinyladenosine 0.8630 1.1730 1.0374 0.8709 1.4484 1.1358 1.2743 1.0070 0.6332 1.5628 0.9969 1.0031 1.1865 0.4575 1.2458 0.8352 1.1716 1.8838 0.9146 1.6211 1.2350 0.9301 1.2470 1.0747 0.8542 1.0277 0.8986 1.2002 1.0892 0.7211 1.2430 1.0403 0.4575 0.8032 0.9504 0.9650 1.2209 1.0548 0.9388 0.8546 0.8758 0.9088 0.4575 0.4575 0.9299 0.9328 0.4575 0.4658 1.2165 0.7577 1.1963 0.7800 1.1561 1.0834 1.2179 0.6873 0.6546 0.9351 1.1730 0.9371 1.1038 1.3002 1.0119 0.4575 1.6601 0.7576 0.7481 0.7691 0.7452 0.5622 0.4575 1.4742 0.8081 0.4575 0.7971 N-acetyl-1-methylhistidine* 0.7561 0.8635 1.5446 0.7172 1.2851 1.5913 1.3002 1.3005 1.2224 3.9227 0.5782 0.5383 0.9888 0.4140 1.6951 0.5204 1.1069 1.0586 0.9637 1.4621 2.4645 0.1913 2.1546 1.0304 1.9400 0.9283 0.2447 1.7917 4.1536 1.8691 0.8666 6.4543 0.5920 0.4225 0.8011 2.2355 0.9223 2.4156 0.6207 1.2975 1.2666 0.7930 0.7253 1.6489 1.5570 0.4731 0.2361 1.4253 0.5423 1.0000 0.5194 2.4327 0.9533 0.9467 2.9094 0.6316 2.6500 2.0757 1.3313 0.4645 3.1613 0.9438 0.4897 0.7954 2.3713 3.4406 0.8089 0.9472 0.2988 1.5734 3.0278 0.3901 1.0789 0.7834 0.6091 N-acetyl-3-methylhistidine* 0.4646 0.1662 0.3225 0.1662 0.9481 0.8512 1.0681 0.2989 0.1662 4.4310 0.1662 0.1662 0.1662 0.2989 2.1437 0.1662 0.4288 1.2927 1.0212 0.1662 1.0729 0.1662 0.6176 0.3984 1.2590 0.3572 0.1662 0.6956 2.6285 1.5564 0.4567 6.2814 0.1662 0.1662 0.5143 1.0337 0.1662 1.0555 0.1662 0.6680 0.5081 0.1662 0.1662 0.1662 1.1824 0.4731 0.1662 0.8534 0.1662 0.1662 0.2266 2.6219 1.5708 0.1662 1.1417 0.1991 1.0555 2.0586 0.4698 0.1662 2.8632 0.5853 0.1662 0.9788 0.8192 2.0427 0.1662 0.1662 0.1662 1.0905 1.1265 0.1662 1.1518 0.1662 1.0910 N-acetylalanine 0.7070 0.9620 0.8718 0.9346 1.2700 0.9238 1.1771 0.8701 0.9099 1.2247 1.0620 0.9381 1.1157 0.9115 1.0579 1.2128 1.1798 0.9884 1.1286 1.6039 1.2546 0.9167 1.2706 1.3090 0.9901 0.9688 0.9036 1.1649 1.0569 1.3423 0.9265 1.2762 1.0314 0.8293 1.1502 0.9403 1.1207 0.9014 0.8725 0.8459 1.1040 0.9910 0.8381 1.0836 1.0458 1.0105 0.8869 1.0450 0.8390 1.0000 0.9063 1.0114 1.0097 1.0639 0.9041 0.8624 1.0962 0.9329 0.9906 0.8301 1.3075 1.0392 0.9220 0.8807 1.1021 0.9586 0.8679 1.0520 1.0047 1.0500 0.8115 0.9145 1.1875 1.6852 0.9424 N-acetylalliin 0.7269 1.0950 1.5154 0.4449 0.8377 1.9146 0.8721 0.3107 0.0957 0.3410 0.2112 0.1306 0.7541 0.6054 0.3316 0.0957 0.0957 0.5413 2.7175 1.7371 0.6329 0.0957 0.5998 1.1477 3.0275 0.3671 2.8001 1.5798 0.0957 1.5866 0.7382 1.9096 1.8261 0.6806 1.0289 2.0586 3.2543 1.5590 2.2967 1.5525 0.9711 11.0418 0.7309 0.1437 4.5906 0.4672 0.1643 0.8601 7.8379 5.3142 0.1951 0.7225 0.0957 0.6177 1.0852 1.0611 11.2324 0.5031 10.6236 0.0957 0.2700 0.6666 1.8724 0.8530 1.2238 3.3236 2.4285 2.8079 0.0957 0.9588 1.8684 2.1385 0.0957 0.0957 0.1652 N-acetylarginine 0.7216 0.7329 0.9224 0.9523 1.1458 1.0506 0.9646 1.2888 0.6179 1.9190 0.9142 1.0000 0.7214 0.8211 0.7397 0.7959 1.0338 0.6573 0.9196 1.1608 1.2878 0.5500 1.6871 1.0658 1.5368 0.7834 0.6608 1.2047 1.9849 0.9486 1.6543 2.6271 0.8970 0.5883 0.7459 1.4368 1.1032 1.4894 0.7337 1.3091 1.0593 1.4003 1.2084 0.7756 0.5404 0.6968 0.4287 1.2811 1.0200 1.1336 0.7305 1.7057 1.4486 0.8861 1.7951 0.7568 1.2548 1.3168 1.5042 0.3839 0.9159 1.2290 0.6133 0.8838 1.3766 1.9411 0.8890 1.0865 0.2836 0.9675 1.8846 0.5052 1.0710 1.1603 0.7295 N-acetylaspartate (NAA) 1.0435 1.0803 0.9320 1.1388 1.1880 0.7762 0.8717 0.9505 1.0019 1.0229 1.0163 1.0642 0.8396 1.2419 1.0908 1.0315 1.1676 1.2129 1.1656 1.1826 0.9043 0.7581 0.7541 0.8308 1.1137 0.9696 1.1107 0.8815 0.7851 0.8659 0.9290 0.7541 0.6597 0.8220 0.9670 1.0665 1.0347 0.9069 1.0336 0.9617 0.9403 0.8224 0.8887 0.7268 0.8321 1.0163 1.1962 0.6712 1.0349 0.8795 1.5202 0.9359 0.9990 0.8069 0.8978 1.0378 1.0781 1.0141 0.6600 0.9677 1.2174 1.0238 1.1100 0.6653 1.0000 0.8537 0.8557 0.8174 1.0282 1.2272 1.3511 1.1057 1.0186 1.1700 1.1357 N-acetyl-aspartyl-glutamate (NAAG) 1.3336 1.1810 0.8771 1.2254 1.2884 1.4070 1.0664 1.3689 0.6653 0.5959 0.8471 1.3663 0.8265 1.2999 1.7659 1.5406 1.8037 0.8576 0.9957 0.9139 2.0616 0.4798 0.3851 1.0178 0.7756 1.1885 1.4713 0.3165 0.3657 1.2189 1.6176 0.5434 0.9134 0.9698 1.0000 0.4505 0.9213 0.6758 1.1601 1.4613 0.7272 1.0094 0.9108 0.8188 0.9703 0.8065 1.0426 0.8640 1.1292 1.1481 0.9735 3.1797 1.2121 0.8825 0.3165 0.4772 0.4273 0.6047 1.7541 0.3755 0.9191 1.4937 1.2719 0.3165 1.2524 1.1397 1.0481 0.9683 1.0398 0.9524 0.5763 1.8551 1.0347 0.5900 1.2755 N-acetyl-beta-alanine 0.6226 0.7117 1.2327 1.0313 0.8491 1.8331 1.6536 0.7214 0.9551 1.0000 0.9616 1.4587 0.7009 0.8088 1.3078 1.1661 1.5298 1.0712 1.1337 0.8057 1.4256 1.2085 0.7642 1.7605 1.0547 0.9676 0.8271 1.1309 0.8759 0.9641 0.7160 1.1755 0.9307 0.6441 1.2743 0.8323 1.1565 0.9763 1.1429 0.9737 1.1412 1.1199 0.9869 0.9001 0.8974 0.7753 0.8355 0.7802 1.3702 1.6257 0.9144 1.1143 1.8168 2.2424 0.9928 0.7158 1.3055 0.6806 1.0311 0.8418 1.0063 1.2001 1.3904 0.9138 1.2796 1.2724 0.8117 0.6061 0.9834 1.3542 0.9445 1.0331 1.2906 1.4822 0.8280 N-acetyl-cadaverine 1.5369 0.7797 11.8331 0.7087 0.5037 1.6990 0.8474 0.6924 0.8544 3.6371 1.7283 0.7611 0.4136 0.4456 15.3321 1.4267 0.4790 0.3677 2.1518 0.8045 3.4773 0.3677 2.8548 11.4327 0.3677 0.9934 0.3677 0.3703 4.7110 0.8807 0.4662 6.9898 2.1246 0.8565 1.5207 0.6160 1.2293 0.9576 0.3677 0.3677 1.9475 1.9518 1.3635 3.2829 2.2681 0.3677 0.9226 2.3361 0.9658 0.5599 0.3716 1.5588 0.3677 0.6065 2.0680 0.9130 1.6759 0.8877 11.4879 0.8793 2.1741 0.7075 0.4246 0.7545 1.0066 1.5124 3.0176 2.1768 3.1952 1.9282 0.4933 0.3903 5.4416 0.6289 0.5759 N-acetylcarnosine 0.7542 1.1729 1.6408 0.5185 1.4302 2.2745 2.2716 0.7064 0.3980 0.7804 2.1537 1.7583 0.9419 1.1039 1.3099 1.8392 1.0653 0.5521 1.3335 0.9382 1.4521 0.3469 1.6422 1.6632 1.0750 0.3152 0.6904 1.4049 2.3518 0.6213 0.4127 1.7455 1.4627 0.5934 0.8231 1.0000 0.7760 1.5107 0.8305 0.6467 2.0308 1.1191 0.8385 0.7957 0.6802 1.1001 0.4526 0.8083 1.4114 0.8329 0.8239 0.7485 2.3463 0.7264 2.2539 0.7616 1.3300 1.0971 1.3775 0.6907 1.0488 0.9865 1.0298 1.1202 1.0137 1.3869 0.7975 0.9469 1.4501 0.8256 0.6587 0.8136 2.3536 0.4966 0.8105 N-acetylcitrulline 0.8423 0.5706 1.4698 0.7752 0.5845 1.1453 0.8477 1.3038 0.1878 4.7798 0.6941 0.1878 1.2080 0.1878 0.4347 0.1878 0.4271 0.4730 0.5355 1.0387 1.0000 0.6021 4.3423 1.9075 3.4972 0.4238 0.1878 1.8718 6.9273 0.6400 2.0682 3.3828 0.8751 0.1878 0.1878 3.4655 0.7934 3.1417 0.4516 2.2285 0.5299 1.3001 0.4912 0.6380 0.7182 0.1878 0.1878 0.8952 1.6256 1.4039 0.2708 1.9461 3.2184 1.6644 1.4084 0.3131 1.8071 1.3694 2.6371 0.1878 1.1644 0.5506 0.3260 0.5801 1.8484 2.4265 0.7534 0.9806 0.1878 1.0389 2.2805 0.2450 2.1271 0.8606 0.5909 N-acetylglucosamine/N-acetylgalactosamine 0.8776 1.1559 0.8429 1.0741 1.0693 1.1848 1.2751 0.9295 0.9620 1.0766 1.2320 1.1070 1.2810 0.9642 1.1094 1.0917 0.8285 1.0779 0.8783 1.3392 1.0283 1.2175 1.3252 1.0794 0.8261 0.9420 0.8852 0.8990 1.0988 1.2603 0.8155 1.1628 1.0322 0.8516 1.0067 0.9436 1.1707 0.7737 1.0349 0.8879 0.6867 0.9707 0.9999 1.1997 0.8006 1.2297 0.7649 0.7674 1.0860 1.0051 0.8966 0.9294 1.0698 1.2819 0.8573 0.9128 0.7738 1.0000 1.1414 0.7905 0.8787 0.8763 1.0347 0.7948 1.4819 0.8058 0.7342 1.1254 0.8717 0.8705 0.9525 1.8134 1.1950 1.0493 0.8919 N-acetylglucosaminylasparagine 0.9704 1.0488 0.6951 0.8894 0.8332 1.4568 1.0081 0.3796 0.2599 0.8529 1.0855 0.9054 0.9813 0.7343 1.2623 1.1197 1.0443 0.8692 1.0190 1.7994 1.0066 0.9751 1.7250 1.8072 1.2354 1.8822 1.6925 2.8633 1.7519 2.0780 0.8347 1.5501 0.7210 0.9232 1.3790 1.3998 1.9164 0.6249 1.4219 1.2640 1.7337 1.8275 1.0299 0.9287 0.2599 0.2599 0.5867 0.6970 0.5324 0.8495 1.2663 0.2599 0.9325 1.3103 1.1190 0.8827 0.7258 1.0194 0.8753 0.2599 0.7910 0.7338 0.5244 1.0581 1.0000 0.3704 1.2346 0.2923 1.0000 0.5095 1.1171 0.4779 0.8548 0.8814 1.4406 N-acetylglutamate 1.0246 0.8451 1.0123 0.7208 0.6515 0.6295 0.3401 1.3670 1.0065 0.9693 0.7201 0.9416 1.0486 1.2833 1.5642 0.8918 1.0648 1.3794 0.9946 1.6159 0.9943 0.8454 1.4221 1.0248 0.8265 0.9094 1.0532 0.9180 0.9252 1.4622 1.8388 2.1042 1.0864 1.3443 0.7528 1.3414 1.0342 0.8136 1.3080 1.1020 0.6118 0.8984 1.1037 0.7068 1.2361 1.1713 0.9136 1.1688 0.9932 1.0356 0.9603 1.2982 0.7307 1.7393 1.0666 1.0023 0.5414 0.8766 1.4931 0.7085 1.8603 0.7316 0.6964 1.0000 1.3389 0.7431 0.9539 0.9455 0.8159 0.9004 1.0213 0.8934 1.0353 1.3110 0.7659 N-acetylglutamine 0.6808 0.7904 1.5359 1.3111 0.7744 1.4913 0.9778 2.1443 1.0103 1.4822 1.0840 0.7210 0.8735 0.5756 0.8518 0.9385 0.7534 1.3388 1.2895 2.2516 1.9200 0.4931 1.4913 1.1689 1.2122 1.0000 0.5790 1.4272 2.3402 1.4170 1.7569 2.5993 0.6298 0.4627 0.5624 1.4455 0.9319 1.3078 1.4035 1.4288 0.8149 0.6748 0.6429 0.5282 0.7829 0.9214 0.3241 0.7641 1.1578 0.9700 0.3398 2.0201 1.1962 1.4656 1.0294 0.7361 1.0322 1.7862 1.7822 0.3186 1.4358 1.3168 1.0681 0.6136 0.8359 1.4721 0.8715 1.1730 0.5568 0.7802 1.2563 0.5598 0.3365 0.9686 0.7845 N-acetylglycine 1.3590 0.7364 1.4767 1.1716 1.0630 0.9264 0.7656 0.9296 3.4528 1.0113 0.5689 1.6143 0.5969 1.3769 3.0520 2.6646 0.7644 1.6469 1.7726 1.7191 1.1063 0.7287 0.6279 0.6758 0.7158 1.1821 0.4760 0.8867 0.5217 1.5293 1.5199 1.1923 0.6603 1.5156 1.2471 0.9974 0.8122 0.5234 0.8216 2.5240 2.3054 0.6291 1.4628 0.7379 0.9777 1.0000 1.0203 0.4549 1.4621 1.0563 1.1076 0.9062 2.8250 1.0913 0.9387 2.5984 2.1260 2.5591 0.5067 0.7679 1.7154 0.7143 0.7417 0.5520 0.7421 0.5185 0.6722 1.7659 2.2016 0.9342 0.5379 1.3544 0.7306 1.3897 0.8193 N-acetylhistidine 1.3555 1.3485 1.0606 0.8769 0.6809 1.1838 0.6253 1.1536 1.1141 1.1598 0.9607 1.3256 1.0996 0.6504 0.9622 0.4916 3.2269 2.8386 0.9775 1.3969 0.8791 1.0332 0.9005 0.7698 0.7172 0.8684 1.3502 1.1375 1.5494 1.3503 0.9926 1.5983 0.6244 0.8127 0.7665 1.6159 1.4445 0.8288 1.0471 0.3856 0.4858 0.9966 1.1529 0.7927 0.4884 1.0681 0.7656 0.5960 1.3866 0.9490 1.2477 1.1007 0.6365 1.4086 1.0376 0.6874 4.5582 0.6174 0.9851 0.7023 1.3633 0.7086 0.7456 0.9471 1.6872 1.1008 1.5721 1.0815 0.2649 0.8659 1.4770 1.0000 0.8374 1.8431 1.4757 N-acetylisoleucine 0.8814 0.8560 0.9079 1.0329 1.1876 0.8236 1.4137 1.1063 1.0814 1.2282 0.9210 0.8843 0.8095 0.6558 0.9540 1.2214 0.9269 1.0460 1.1141 1.3702 1.3688 0.8368 1.4974 1.6199 0.8430 0.9122 0.5036 1.2750 1.2240 0.9526 1.2797 1.5427 0.6576 0.5036 0.9506 0.8984 0.7473 1.0377 1.0463 0.9947 1.3565 1.2475 0.8345 1.0232 1.2003 1.2682 0.8089 1.0053 1.1712 1.4714 0.7474 1.1509 1.4265 1.3028 0.9176 0.9147 0.9416 0.8281 1.4580 0.8209 1.1186 0.8896 0.6519 1.3200 0.9441 0.8898 1.0819 0.8212 0.9436 0.8525 0.8424 0.7390 1.1979 1.1658 1.2834 N-acetylkynurenine (2) 0.2002 0.3026 1.6772 0.8892 0.7465 1.6918 1.5654 1.6169 0.9660 1.1096 0.8386 0.7895 0.6035 0.3543 0.6091 0.4590 0.8842 0.2344 1.0521 0.4151 1.2056 0.1774 1.6342 2.2610 1.6498 0.7175 0.2342 1.6045 5.9674 2.6056 0.7382 7.1673 0.1774 0.1774 0.5847 1.2343 0.4165 3.1616 0.8908 0.4751 0.8767 1.1045 0.6808 1.0108 2.3063 0.6413 0.4247 2.8514 1.0064 0.9989 0.2321 2.5333 1.9243 1.0246 1.8571 0.1774 2.4914 0.8367 2.7197 0.2258 0.7610 2.3549 0.3705 1.3384 1.0011 2.8328 0.7866 0.8414 0.1774 1.2204 1.9556 0.2410 2.2089 0.1774 1.1890 N-acetylleucine 0.9458 0.9673 1.1257 1.1094 0.9978 1.1122 1.3773 0.9838 0.6183 1.2421 0.8095 0.8395 1.0504 0.6947 1.0008 0.8702 0.8668 0.9723 1.0188 1.3465 1.2203 0.6381 1.5173 1.5524 1.2446 0.6334 0.7041 1.5982 1.7064 0.7080 1.4725 2.4078 0.7872 0.5888 1.1402 1.0518 0.9038 1.4344 0.8839 1.4722 1.0961 1.0546 0.8367 0.8328 0.9837 0.9945 0.6025 0.7261 1.0287 1.7027 0.8551 1.1465 1.5553 1.7150 1.2835 0.7092 1.0760 0.8106 1.4015 0.7783 0.9643 0.9575 0.6056 1.1137 1.0915 1.5594 1.1322 0.7465 0.5774 1.0915 0.9846 0.6579 1.1820 1.0000 0.9628 N-acetylmethionine 0.9403 1.1322 0.9642 0.9979 1.0897 0.9448 1.3817 0.7665 1.0730 1.1046 0.9513 1.0484 1.3171 0.7722 0.9817 1.0557 1.1243 0.9099 1.1194 1.4996 1.0244 1.0445 1.0161 1.2176 0.7983 0.8023 0.8809 1.1874 1.2359 1.1405 1.2181 1.0539 0.6499 0.7850 1.0814 0.9104 1.3471 0.9038 1.0545 0.8388 1.1759 0.9881 1.0350 1.3194 1.1963 0.8527 0.7737 0.8551 1.2176 1.1967 0.9869 0.8607 1.0022 1.1392 0.8222 1.0920 0.5988 0.9099 0.9889 0.6284 0.7932 1.0126 0.8925 0.5137 0.8169 0.7615 0.9673 1.3338 0.8990 0.9745 0.7913 1.0000 1.2422 2.1569 1.0156 N-acetylneuraminate 0.7721 1.1677 0.7561 0.9086 1.3533 1.7505 1.1187 1.0000 0.8476 1.1335 1.0497 1.0471 1.1818 0.9369 1.0441 1.1510 1.3528 1.1821 0.7757 1.2922 0.9855 1.1493 0.9774 1.1196 0.6929 0.8908 1.1930 0.8903 1.0215 1.3783 1.6356 1.6791 1.0573 0.7480 0.9850 0.6594 1.2511 1.3687 0.8344 3.3729 0.9049 1.2069 0.7120 1.4609 0.9296 0.9753 1.0016 1.3776 0.8930 0.9548 1.0780 0.8235 0.9411 1.5852 0.8697 0.7670 0.7469 0.5547 0.9977 1.1337 1.0808 0.9373 0.8442 0.7242 0.9017 0.9329 0.8262 0.8241 0.7400 0.7147 3.9737 1.3038 1.0472 1.1273 1.3945 N-acetylphenylalanine 0.9349 0.7870 1.2218 1.1769 0.8432 1.2170 1.3125 1.0880 0.5970 1.1060 1.2739 1.2779 1.1405 0.5935 0.9010 0.5892 0.8458 0.7773 0.7504 0.9339 0.8173 0.4964 1.3721 1.0681 1.5133 0.7239 0.6942 1.4153 3.7031 1.2732 1.0475 3.7292 0.7164 0.5421 0.7857 1.3945 0.8232 1.4154 0.7579 0.6447 1.0846 1.1489 0.8338 0.8772 1.0294 0.9839 0.4914 1.0625 1.0000 1.0653 0.9209 1.0468 1.6018 1.4470 1.2939 0.5280 1.0357 0.7842 1.7946 0.3851 1.2997 1.0074 0.6692 0.7862 0.9792 1.0952 1.2690 0.8581 0.7193 1.1566 0.8689 0.6640 1.3780 0.7219 1.0282 N-acetylputrescine 1.3044 1.1666 1.0401 1.3989 0.9933 1.1531 1.1841 0.7054 0.8404 1.0724 1.0385 0.9662 0.9074 1.0503 0.8586 0.8605 1.3911 1.3236 1.1611 1.2636 1.2353 0.6658 1.2708 0.8252 0.8555 0.9981 0.8750 1.0148 1.1661 1.6779 1.0410 0.9863 0.7998 0.8597 1.2082 0.9134 1.1731 0.8612 1.0046 0.9132 1.0775 1.1692 1.0597 0.6447 0.6564 0.7609 0.9821 0.7293 0.9087 1.2136 1.3047 0.9512 0.6868 1.1210 0.7657 0.9016 0.7332 1.3062 1.0000 0.8785 1.5132 1.1629 1.4073 0.9719 1.4345 0.8427 0.7338 0.9016 0.9098 1.2549 0.8602 1.1795 1.1080 0.9075 1.1320 N-acetyl-S-allyl-L-cysteine 0.6175 0.7920 0.7160 0.2139 0.2139 0.9354 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 0.2139 1.0000 0.2139 0.2139 0.5597 0.2139 3.4771 0.2139 0.9740 2.3489 0.2139 0.6159 0.6332 1.6476 1.9886 0.8250 0.2139 1.1157 1.5969 1.5120 0.7106 2.1481 0.5803 6.6774 0.2139 0.2139 4.1837 0.2139 0.2139 0.6664 9.1743 0.9668 0.2139 0.2139 0.2139 0.2139 1.0498 1.0965 3.9176 0.2139 3.3394 0.2139 0.2139 0.2801 0.5717 0.2139 0.6707 1.9851 3.0326 0.9811 0.2139 1.0036 0.7118 1.0709 0.2139 0.2139 0.2139 N-acetylserine 0.7561 1.3262 0.8981 1.0343 1.2740 0.9752 1.3393 0.7853 0.8986 1.1561 1.0347 0.9860 1.1607 0.8234 1.1004 1.1729 1.1060 1.0444 1.1861 1.2849 1.1868 0.7993 1.1819 1.0462 0.8569 1.0010 0.8733 1.0306 1.0710 1.0428 0.9237 1.0606 0.8406 0.7623 1.1219 0.9210 1.2066 1.0006 1.1076 0.8969 0.9935 1.0616 0.8909 1.1766 0.9779 1.0541 0.7603 0.8683 0.9957 1.0865 0.9460 1.0000 1.1314 0.8727 0.9370 0.8188 0.9267 0.9446 0.9497 0.8063 1.0533 1.1216 0.8513 0.6961 0.9973 0.9282 0.9350 1.1465 0.9245 0.9546 0.7648 1.1604 1.2193 1.7918 1.0458 N-acetyltaurine 0.8081 0.8687 0.9887 1.1032 1.1240 1.3761 1.6565 0.7023 1.0294 1.0540 0.8765 1.2320 0.9616 0.7607 1.1707 1.1359 1.1474 1.2329 1.1049 1.0921 0.9886 0.9205 1.0000 0.7904 1.0616 1.1359 0.6172 1.0892 1.1248 1.1218 1.0311 2.1230 0.7939 0.8264 0.8247 0.7648 1.0583 0.7976 1.1283 0.7458 1.0108 0.8641 0.8724 1.1016 0.7302 1.4316 1.0419 0.5022 1.6371 1.0421 0.7785 0.9141 1.1806 3.1835 1.1295 0.7667 0.7591 0.7797 0.9905 0.7339 1.1097 0.9088 1.0577 0.4874 1.1909 0.9614 0.9382 1.2775 0.8012 0.8422 0.8856 1.2081 0.8794 1.0057 0.8836 N-acetylthreonine 0.7365 0.9913 0.9147 1.1368 1.4242 1.0775 1.2052 0.7689 0.8018 1.0815 1.0836 1.2175 1.8002 0.6543 1.2835 1.1716 1.2617 0.9630 1.4232 1.5774 1.0974 0.7689 1.3066 1.2750 0.8521 1.0162 0.7243 1.1986 1.3309 0.9023 0.7782 1.2337 0.8631 0.7609 1.1728 0.7839 1.1167 0.9639 1.1446 0.7343 1.1012 1.2828 0.7971 1.2268 0.7889 1.0618 0.8223 1.1179 0.8689 1.3403 0.9860 0.9557 1.3903 1.0000 0.9322 0.7746 1.0072 0.9473 0.8722 0.7046 0.9955 0.7362 0.8977 0.7335 1.2271 0.8379 1.0701 1.1064 0.9066 0.8224 0.8199 1.0152 1.5321 1.4693 0.8390 N-acetyltryptophan 1.0224 0.7522 1.5166 1.1431 1.1883 1.6859 1.5566 1.0327 0.7372 0.5363 1.8216 1.3120 0.9492 0.5707 1.3752 0.8477 1.0000 0.7239 0.7695 0.6027 0.7148 0.7905 0.9956 1.6182 1.2754 0.7784 0.9131 1.6852 2.5380 1.6697 0.9011 2.2035 0.9123 0.6872 0.7854 1.2143 0.9253 1.2815 0.6981 0.5755 1.2449 0.9712 0.7642 0.5287 1.3103 0.7732 0.6391 0.9308 1.3918 1.5311 1.0964 1.0203 0.8569 1.2123 1.2285 0.5251 0.9298 0.5769 2.0929 0.3665 1.1007 1.4347 1.0340 1.2271 1.0090 1.0593 1.8290 0.9934 0.6220 1.1099 0.6260 0.7451 2.2849 0.4515 1.3130 N-acetyltyrosine 0.8271 0.8030 1.2777 1.0151 0.9662 1.3958 1.0180 1.0754 0.7694 0.9305 1.4356 0.8560 1.1968 0.1610 0.9770 0.7573 0.6904 0.5679 0.6950 1.0798 0.8945 0.7383 1.4553 1.3253 1.4404 0.5055 0.5901 1.4028 4.6909 1.3573 1.3899 4.3889 0.7896 0.5692 0.8728 1.8211 0.7274 1.5602 1.1000 0.7035 0.9220 1.1242 0.9555 0.7361 0.7660 0.5836 0.5887 1.0714 1.1646 1.3173 0.9020 1.4764 1.2056 1.4911 1.4787 0.1610 1.2214 0.7431 2.2568 0.1610 1.2727 0.6730 0.3463 1.0134 1.0613 1.6715 1.0111 0.7620 0.1610 0.9980 0.8789 0.6777 0.9550 1.0020 1.2376 N-acetylvaline 0.9053 0.9965 0.9592 0.9307 1.1341 1.0627 1.1043 0.8523 0.9813 1.0540 1.0863 1.0488 0.9788 0.8025 1.0648 0.9800 1.1521 0.9558 1.1494 1.1163 1.1311 0.8148 1.0345 1.3377 0.8552 0.9265 0.8860 1.1948 1.0143 0.8540 1.0134 1.2084 0.9521 0.7948 1.0916 0.8072 1.0889 0.8649 0.8419 1.0050 1.0896 1.0547 0.9227 1.0287 0.8616 0.9524 0.7548 0.8458 1.0999 1.1801 1.0965 0.9096 1.2289 0.9738 1.0855 0.8059 0.8871 0.9374 1.0897 0.7977 1.0829 1.1358 0.8778 1.0315 0.8631 0.9884 1.0000 0.9251 1.0527 1.0800 0.9212 1.0815 1.0991 1.2956 0.9198 N-alpha-acetylornithine 0.9630 0.8049 0.8101 1.4744 1.1226 1.0336 1.1521 1.0588 0.8824 0.8265 0.7452 0.9423 0.8536 0.7800 1.3762 0.9443 1.3165 2.2978 1.1628 1.0771 1.0565 0.9389 1.1723 1.2331 0.7753 0.6909 0.8147 1.9488 1.4834 1.0106 0.8176 0.9931 0.5209 0.7509 1.1424 1.2628 1.0272 0.8223 0.8466 0.6269 1.1739 0.9607 0.6646 0.3792 0.4268 4.7537 1.1491 1.1358 1.5851 1.1375 1.3188 1.1451 1.2874 1.1524 1.2095 0.3501 0.8428 0.9791 1.1533 0.4451 1.0000 1.9530 0.8136 0.7507 0.5893 0.9488 1.3493 0.6683 1.1279 1.1170 1.1871 0.8115 0.4663 0.8319 1.1722 naproxen 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 N-behenoyl-hexadecanoylsphingosine (d16:1/22:0)* 0.9579 0.7234 0.8852 1.0661 1.2396 1.3004 0.9785 0.9738 1.1725 0.8466 1.2183 0.9521 1.3658 0.8319 1.8987 1.0286 1.3547 0.8045 0.8021 1.0234 0.7566 1.2290 0.9236 2.2913 0.6554 0.8233 0.7896 1.3120 1.6997 1.0294 0.9975 1.2795 0.8331 0.5901 1.4488 1.2694 0.5440 0.6952 0.9415 1.1709 1.0771 1.0614 0.5449 1.0045 1.0127 0.8169 1.2792 1.5999 1.4396 0.9804 1.0000 1.1027 1.3150 1.9815 1.1071 0.5762 0.6399 1.0270 1.6070 0.7152 0.6722 0.8353 0.8326 1.5422 1.0242 1.1442 0.9998 0.9897 0.7057 0.6502 0.9494 1.0641 1.5695 0.6950 0.9927 N-behenoyl-sphingadienine (d18:2/22:0)* 0.7596 0.4612 0.8785 0.6612 1.1037 0.9863 0.8505 0.9450 1.0430 0.8747 1.0268 1.0000 1.1191 0.8029 1.7192 1.0392 1.0532 1.2306 0.6803 1.0495 0.7058 1.1873 1.0218 1.5774 0.9283 0.9211 1.0022 1.5198 1.5583 1.0245 1.5913 1.3193 0.8366 0.7597 1.1987 1.2971 0.4823 0.7422 1.1871 1.1410 1.0652 1.1641 0.5985 0.8581 1.1455 0.8474 0.8232 1.3693 1.5188 0.8211 0.9025 0.9445 1.1157 2.0564 0.8263 0.5946 0.5628 1.0541 1.8010 0.6218 0.6620 1.1295 0.5175 1.3124 0.7721 1.1556 0.9480 0.9802 0.6655 0.5095 0.8586 1.3435 1.4231 0.5666 1.0893 N-delta-acetylornithine 0.5728 0.6004 0.8657 2.0077 1.2093 2.0774 1.6966 0.5218 0.8319 0.7153 0.6776 2.1702 1.0510 1.5906 1.8398 1.4993 1.5538 6.8364 1.9900 0.9516 1.1081 1.0964 0.6504 1.5205 0.4671 1.1424 1.9089 1.6287 0.4914 0.8981 0.5143 0.4091 0.7266 0.7281 1.5600 0.2871 2.1392 0.6996 2.0586 0.2932 3.7082 2.0765 1.0000 0.5540 0.3966 27.9362 1.3898 0.4082 3.4728 4.8906 1.0660 0.4474 1.6995 0.6244 0.8376 0.4240 0.8836 0.6601 0.5792 0.9046 1.6233 3.4926 2.1416 0.9823 0.6358 0.5515 0.9375 1.0636 2.2093 1.7892 0.3761 1.5075 1.1691 0.4632 0.9359 nervonoylcarnitine (C24:1)* 0.8289 0.7917 1.1009 0.7558 2.2092 0.8101 1.0000 0.7598 0.9139 0.8134 1.7908 0.8087 0.9771 1.6555 1.9870 1.0002 1.0928 0.7365 1.5183 0.7298 1.2390 0.9582 1.1943 2.1060 1.5252 0.9526 1.4473 1.6006 1.0279 0.9282 1.0903 1.5378 0.7696 0.9503 1.3010 0.7442 1.1213 0.9223 1.1881 1.1909 1.2529 1.2486 1.1647 0.8640 0.9160 1.7288 0.6646 0.5830 0.9254 0.7045 0.7927 0.9442 1.1714 1.2179 1.5928 0.9061 1.8555 1.5173 0.5581 0.9107 2.0554 1.3847 0.8707 1.0837 0.8169 1.3539 1.6257 0.9623 0.9055 1.2874 0.8661 0.9463 0.7975 1.2480 0.7729 N-formylmethionine 0.8175 1.0651 1.0156 0.9575 1.1510 0.9389 1.3318 0.7067 0.8671 0.9237 0.9602 0.9113 1.0724 0.7547 1.0826 1.1559 1.1812 1.3429 1.4620 1.2683 1.0975 0.8530 1.1336 1.2566 0.9123 0.8721 0.9628 0.8054 1.2386 0.9984 1.0642 1.0530 0.7916 0.7951 1.1337 0.9134 1.2654 0.9607 1.1809 1.0373 1.1340 0.9176 0.9459 0.9947 0.9752 1.1474 0.7620 0.6928 1.0844 1.0530 1.1933 0.8693 1.2891 0.9627 1.0038 1.0189 0.8252 0.9038 1.1127 0.6764 1.2589 1.2963 0.9716 0.8112 1.0263 0.8292 0.9816 1.1591 0.9155 1.0000 0.7939 0.9766 1.2497 1.4955 1.0156 N-formylphenylalanine 1.1349 0.7757 0.9059 1.2074 1.0000 0.8158 1.1812 0.8237 1.0280 0.5502 1.0743 0.9437 0.7356 0.7016 1.1426 0.7584 1.3718 0.8756 1.1724 1.1844 0.4115 0.8779 0.8889 1.3191 1.1176 0.9990 0.6864 1.4876 2.5655 0.5637 0.9117 0.7988 1.0324 0.5212 0.9507 1.0071 0.8440 1.2691 0.9793 0.8603 1.5898 1.0626 1.1179 1.1665 0.9401 1.4023 2.3189 0.9107 1.2121 2.0465 2.1227 0.9910 0.9069 1.1901 0.9022 0.9434 1.1213 0.7900 1.0182 0.6524 1.0082 1.0600 0.8275 0.7484 0.9162 1.6027 1.1045 0.9666 1.4449 1.2383 1.1803 1.6499 0.6882 0.6301 1.2623 nicotinamide 0.9204 1.0366 1.0000 1.3148 0.7560 1.5478 1.1568 0.8918 1.0180 1.0678 1.4302 0.9698 0.9685 1.1657 0.7124 1.3529 1.1693 0.6009 0.5803 1.0051 0.7940 0.9269 0.7069 1.5518 0.5987 1.1616 1.6992 1.6647 1.3801 2.0712 1.2864 0.8933 0.8871 0.9474 0.9894 0.6407 1.4886 1.1740 1.6796 0.9032 0.7333 1.3914 1.2720 1.3290 0.8981 0.7527 0.3113 0.9648 0.8463 0.8373 0.8030 1.0179 1.1379 1.4748 1.1739 0.5947 0.6879 1.2302 0.6890 1.0763 1.0909 1.1347 0.9358 0.9500 1.6271 1.0218 0.8368 0.7771 0.7213 0.7899 1.4647 1.1928 0.9628 1.5853 0.8856 N-linoleoylglycine 0.4848 0.4761 1.1162 1.2283 0.4192 0.8046 1.0204 0.7569 0.4192 2.0499 1.4226 0.6212 1.1546 0.9796 0.4192 2.3835 0.4192 2.6582 0.7879 0.8325 0.4192 0.4192 0.7030 0.4192 0.4707 0.4192 0.4192 0.6603 1.8858 1.6817 1.1242 1.1098 0.5019 0.5527 0.4192 0.7292 0.4192 0.8182 1.0962 1.1051 0.8826 1.8088 0.4192 0.4192 0.4712 1.6284 0.4192 0.5047 1.1258 0.4192 0.4192 0.4192 1.4461 1.2015 1.5657 0.4192 0.4192 1.5365 0.6844 0.4192 1.8900 0.7557 0.4192 0.4192 0.4192 0.4192 0.7457 0.4192 0.5803 0.4192 0.4192 0.4192 0.4192 0.4192 1.5364 N-methylpipecolate 4.1461 1.6878 5.6572 5.8849 0.7737 9.0244 1.0533 0.5628 0.3359 0.5360 1.5519 1.7899 0.8716 0.8325 4.8052 0.5736 2.1058 6.1126 1.2670 1.0312 2.9188 0.8558 1.3769 2.3284 0.9527 1.3772 0.2982 1.6447 0.5761 0.8067 0.3836 0.4748 0.6180 0.5062 2.0874 0.2814 1.4943 0.3612 1.1287 1.7704 12.1630 0.8950 1.0000 0.5205 0.4930 7.0929 0.2731 0.8730 0.9917 1.0764 0.9054 0.9052 6.3182 0.9801 6.2384 0.3633 3.4170 0.7917 1.0295 0.3855 3.5076 0.7195 1.6195 4.0560 6.4625 2.6170 0.9544 0.3290 0.7930 3.6258 0.7413 4.3362 0.3225 1.2804 0.9124 N-methylproline 0.4481 0.3680 0.4075 12.2488 2.1481 1.3449 3.8754 1.0000 0.9502 4.6753 0.5202 5.1872 17.2470 0.7299 3.6735 4.7472 8.7072 8.1960 8.3807 9.1327 0.9073 0.2851 0.4742 0.6184 1.0996 1.8947 2.2383 0.6538 1.3786 1.6666 0.5223 0.2422 0.3344 0.2601 7.2852 1.4415 0.7577 4.8283 27.2564 0.5482 1.0657 8.0100 0.3528 4.7986 0.7885 2.9997 0.5097 0.3654 0.6222 4.9482 0.6156 0.5303 0.9123 0.3837 0.5145 1.3462 0.7097 0.3802 1.1474 2.3573 1.1088 1.2200 0.3831 2.0133 1.5397 0.6511 0.6631 0.3031 1.4863 0.4595 0.8635 2.0275 16.6459 0.5633 0.3712 N-methyltaurine 0.1954 0.1954 0.3124 0.7353 0.1954 0.1954 0.1954 0.1954 0.1954 0.1954 0.1954 7.4155 1.3491 1.2053 0.1954 0.1954 0.1954 3.8506 6.4230 1.0920 0.1954 0.1954 0.1954 0.6365 0.1954 0.1954 0.8705 0.1954 0.1954 0.1954 0.1954 0.7672 0.2139 0.3284 0.1954 0.1954 3.7217 0.2927 2.3674 0.1954 0.1954 1.4742 0.7413 0.1954 0.1954 0.1954 0.1954 0.6207 4.0517 4.6331 2.0633 0.1954 0.1954 0.1954 0.1954 0.1954 0.8718 0.4081 4.9509 0.1954 0.1954 0.1954 0.3043 0.4826 2.7115 1.7095 2.0353 0.1954 0.1954 0.5288 0.1954 0.9080 0.1954 0.1954 1.6076 N-monomethylarginine 0.6628 0.5634 1.0917 0.7802 1.2310 1.0885 1.0561 0.9534 0.8133 0.8983 0.6894 0.7261 0.7023 1.1470 0.6456 1.1441 1.0711 0.7417 1.0789 1.1756 1.1170 1.2834 1.0334 1.1377 1.0973 0.8783 1.0954 1.1496 0.4590 0.4395 1.0847 1.2431 0.6624 0.8768 0.8377 0.7141 1.1966 1.1392 1.0434 1.1829 1.0465 0.7900 0.8478 0.5905 0.4762 1.8095 0.3191 0.6564 0.8719 0.8506 1.0409 1.3315 0.5816 1.1439 1.1624 0.8131 0.4970 1.1922 1.0903 0.6075 0.8558 0.8644 0.9715 1.2200 0.8742 1.1133 1.1608 0.7940 1.1191 1.1386 1.0000 0.9771 1.3243 1.0763 0.9876 N-nervonoyl-sphingadiene (d18:2/24:1)* 1.1308 0.6461 1.2389 0.9112 1.0454 1.1823 0.7501 0.9520 1.3495 0.7747 1.2467 0.8543 1.2571 1.0251 1.6332 1.2894 1.2085 0.6960 0.9039 1.2914 0.8617 1.2738 0.9547 1.1080 0.6849 0.9964 0.7351 1.3970 0.7191 0.8560 0.7326 1.5794 0.9057 0.9668 1.3396 1.2448 0.6935 0.6684 0.8465 1.0186 1.0657 1.0977 0.5503 1.1479 1.1622 0.7085 1.2205 1.2489 1.5928 0.9404 0.8517 1.0340 0.3177 2.2196 1.5026 0.7860 0.5300 1.3946 1.3544 0.8703 1.2300 0.5793 0.7501 1.2977 0.8437 1.1590 1.4575 1.4815 0.9479 0.8751 0.9977 0.9989 1.0129 0.9873 1.0000 N-oleoyltaurine 1.0851 1.1410 1.0030 0.9621 0.6377 0.6583 0.7629 0.8854 1.4015 1.1778 1.1046 1.0420 0.9846 1.4677 0.8136 2.0549 0.9556 1.0305 0.9292 0.7106 0.7973 0.7049 1.1963 0.6671 1.3993 1.0634 1.4335 0.9771 1.3508 0.8544 1.6556 0.9927 0.6546 0.8216 1.2193 0.5296 1.1985 0.2634 1.2743 1.2282 1.1226 1.1567 1.1824 1.2791 0.7940 1.0139 1.0478 0.3509 1.2108 0.5769 0.7191 0.2936 1.7491 1.5995 1.3813 0.6701 1.0716 1.2451 0.3349 1.5790 2.9041 0.8196 0.9461 0.9970 0.2634 0.6221 0.7709 0.9340 0.7313 1.6688 0.4230 1.0877 0.8735 1.3823 0.4218 nonadecanoate (19:0) 0.9725 1.1738 1.0592 1.0667 1.1185 0.9509 0.7114 1.2744 1.4868 0.9571 1.1257 1.1140 1.3202 1.1040 1.1605 1.4008 0.9282 0.9583 0.8846 0.8594 1.5077 0.7742 1.1755 0.9339 0.8193 0.7687 1.1106 0.9000 0.9240 1.0361 1.4022 0.8063 1.1588 0.9367 1.6529 0.6807 1.1279 0.9626 1.0862 1.5107 1.2379 0.8580 1.4158 0.8334 1.3238 0.8279 0.9158 0.7389 1.3315 0.6021 1.0564 1.0444 0.9193 1.3522 1.2233 0.7355 0.7845 1.0437 0.6587 1.2704 1.2654 0.7238 0.8515 0.8295 0.5804 0.7153 1.3556 0.7989 1.2826 1.1510 0.7167 0.6050 1.0128 1.0000 0.8121 N-palmitoylglycine 0.9212 1.0210 1.2616 1.5307 1.1664 0.9933 0.8357 1.0332 1.9348 1.4424 1.2018 0.9868 1.3978 0.8230 0.8252 1.8767 1.0111 1.2191 0.8918 1.0997 1.3140 0.7554 1.1940 1.1519 0.7253 1.1138 0.6803 0.9977 1.7329 1.8231 1.3659 1.2075 1.0000 1.0752 1.0473 1.0603 0.9657 0.9830 1.0069 1.4831 1.0350 1.0947 0.9907 1.0156 1.1211 0.8152 0.9452 0.8315 1.1101 0.9674 0.8800 0.8502 0.5177 1.8146 1.4601 0.8682 0.5926 1.4750 0.8074 0.6288 2.6576 0.5012 0.5663 0.8579 0.4145 0.6929 0.8773 1.1023 0.9413 0.9997 0.8105 0.7450 1.1366 0.8495 0.9008 N-palmitoyl-sphinganine (d18:0/16:0) 0.7691 0.8461 0.7659 1.2895 1.1050 1.2004 0.6686 0.7410 1.2249 1.3767 1.4049 0.5390 1.1840 0.8641 1.4075 1.0257 0.9716 0.8781 0.9598 1.5501 0.9267 0.6678 1.2132 1.7610 0.9345 0.7250 0.7715 1.1172 1.2501 1.9047 1.3872 1.9210 1.0186 0.5643 0.8667 1.0832 0.8562 0.5817 0.9446 1.0424 1.0274 1.0562 0.6545 0.9494 1.0362 1.8042 1.1572 0.7057 0.8813 0.9190 0.8029 1.1267 0.7606 1.8229 0.8340 1.1876 1.0274 1.0579 0.7287 0.9855 1.5281 1.1960 0.7770 1.6372 1.4444 0.8761 0.7199 0.8500 0.8286 0.6886 1.1633 1.0000 0.9019 1.2148 1.2936 N-palmitoyl-sphingosine (d18:1/16:0) 0.9247 0.9580 1.1450 0.8400 1.2863 1.4350 0.6880 1.1240 1.1128 0.9677 1.1669 0.7069 1.4020 1.0947 1.4013 1.3403 1.0000 0.8196 0.7718 1.1992 0.8062 1.2211 0.8780 1.7492 0.7461 0.6763 1.1155 1.1579 1.3942 1.4509 1.2194 1.2977 1.0390 0.8875 0.9842 1.2046 0.7289 0.5007 0.7474 0.9287 1.3006 1.1337 0.8751 1.1149 1.0247 0.8392 1.4765 1.2459 0.9217 1.1135 0.8516 0.7400 0.7394 1.8394 1.0739 1.0276 0.6869 1.3870 0.9417 0.6922 1.1445 0.6321 0.8534 1.5811 1.0163 0.9167 0.8485 0.8813 0.8829 0.8497 0.9250 1.2143 0.8024 1.5771 0.8149 N-stearoyl-sphingosine (d18:1/18:0)* 1.0082 0.7551 1.0000 0.8999 1.2391 1.5245 0.6710 1.0178 1.2012 0.9990 1.3781 0.7285 2.0986 0.9376 1.7927 0.9859 1.2710 0.4825 0.8464 1.4176 0.8603 1.2046 1.0619 2.2411 0.5971 0.7995 0.7180 1.4288 1.5644 1.1714 0.6654 2.2740 1.0211 0.7922 1.3336 1.6149 0.6995 0.5494 0.6576 1.5918 1.1600 0.8369 0.4430 1.5853 1.4780 0.5398 2.3621 1.9077 1.1713 1.1384 0.9310 1.2839 0.3318 2.7546 1.2771 0.9511 0.5057 1.5981 1.2507 0.8323 0.9526 0.3632 0.8482 2.2998 0.8896 0.9292 0.9793 1.2539 0.8308 0.8547 1.0488 0.8999 1.5449 0.8263 0.9572 N-stearoyltaurine 0.4936 0.6930 1.3539 0.7633 0.9372 0.6188 0.7442 1.2095 1.0344 0.4936 0.8070 0.4936 0.5851 1.5928 0.4936 0.4936 0.7251 0.4936 1.0230 0.4936 1.1041 0.4936 2.4112 0.6795 1.3762 0.6263 1.5999 1.4347 0.7974 0.9770 1.5344 1.3502 1.1658 0.4936 0.4936 0.5575 0.7474 0.4936 0.4936 1.5639 0.8286 0.4936 0.6222 0.4936 0.4936 1.9100 0.8606 0.6903 1.1848 0.6610 0.4936 0.4936 0.4936 1.7046 1.0407 0.4936 1.5902 1.0238 0.4936 0.4936 2.2607 0.4936 0.4936 1.1915 0.4936 0.4936 0.6268 0.4936 0.4936 0.8460 0.6898 0.4936 1.2461 0.4936 0.4936 O-acetylhomoserine 1.1144 1.1888 0.5407 3.6825 1.7029 0.7823 0.4314 0.6801 3.0960 1.3268 0.7568 1.2540 0.6631 0.7838 2.1937 2.7762 0.7479 3.6193 0.6631 1.6454 1.3139 0.6391 0.6115 0.5179 1.1083 1.2093 0.8966 0.6553 0.4279 3.5815 2.7405 1.0000 0.8318 1.0545 0.9867 1.4222 1.2325 0.9455 2.4783 3.6494 1.2403 0.3748 1.4541 0.3940 1.2893 0.8569 0.8401 0.7137 3.1280 1.2481 0.6716 0.4120 0.8301 2.7684 0.6447 1.9298 0.9280 3.2625 0.8406 1.1836 4.3810 0.4726 0.5891 0.2807 0.2531 0.4517 0.4373 1.4762 1.9312 1.0938 0.2996 1.2266 0.4379 1.6449 1.2894 o-cresol sulfate 0.3563 0.3563 0.6044 1.0000 1.3946 0.9150 0.9540 0.3563 0.3563 0.3563 0.3563 0.5881 0.3563 0.3563 0.4590 0.3563 3.1349 1.2660 0.7183 0.3563 2.3428 1.8040 0.3563 0.3563 1.5365 0.3563 0.6295 3.9042 0.3563 1.2748 0.6798 0.6348 0.3563 0.3563 0.6571 0.3675 0.6107 0.5613 1.4073 0.3563 1.1997 0.6767 1.1420 0.3563 0.7876 5.1942 0.3563 0.3563 2.1545 0.9839 0.3563 0.3563 2.7793 0.3563 1.1252 0.3563 3.2115 0.3563 1.1923 0.3563 0.3563 1.3435 0.3563 0.4910 0.7200 1.1836 0.5523 3.8154 1.0940 0.3563 0.3563 0.3563 0.3563 0.3563 0.5267 octadecanedioate 1.6084 0.9879 2.0924 1.0488 1.1736 1.0679 1.5515 1.1746 1.0165 0.7599 0.6977 0.9602 0.7055 0.4654 0.5468 1.0121 0.9401 3.2961 0.5130 1.3740 2.2484 0.4999 2.3617 0.7274 0.7045 1.2281 0.2786 1.8574 1.2151 1.2718 0.7550 1.3072 0.7506 0.7460 1.4110 0.6441 1.4532 0.8983 1.0994 1.4828 0.3826 0.6204 1.2869 0.8634 1.2023 2.3946 0.8568 0.7365 1.1826 0.8897 0.8937 0.7130 1.1889 0.6181 1.4737 1.5511 0.8171 1.4683 0.9186 1.0823 1.8673 1.2640 0.7934 0.7895 0.9614 0.7600 1.1480 0.8995 0.8470 1.1787 1.2316 0.5476 1.3508 0.8869 0.2786 octanoylcarnitine (C8) 0.9312 1.8324 1.0419 0.3085 1.0000 0.7429 0.9354 0.7464 0.9659 0.9712 0.9843 2.1429 1.0743 3.3069 1.5297 1.2191 1.2600 1.1547 1.6755 1.4055 1.0515 0.6413 1.7357 0.9083 1.0492 0.8199 2.2748 1.2930 1.0407 0.9586 0.9483 1.0627 0.7292 1.7174 0.5402 0.7074 1.5577 1.3079 0.8546 2.3374 1.0112 0.8253 0.5576 1.0462 1.3834 1.1093 2.1895 0.9596 0.9480 0.4121 0.7845 1.0730 0.6400 0.6191 0.6738 1.5291 0.9811 0.8994 0.6462 0.8898 1.4977 0.6070 0.6345 0.5279 0.5291 0.9508 1.2747 1.7769 2.9275 1.8636 0.4241 0.9887 1.6049 2.5888 1.0627 oleamide 0.0105 0.5003 0.9702 1.0000 0.9046 0.9375 1.0616 0.9244 0.4838 0.5774 0.2920 2.7096 2.5517 1.6742 3.3116 1.9014 2.2449 1.3981 2.5462 1.1254 1.8938 1.2022 2.0920 1.1335 0.6693 0.8078 0.2508 0.3421 1.9114 0.3499 1.0372 2.5087 1.0211 2.0229 1.4806 0.9464 1.4953 0.5762 0.9901 2.0122 1.8231 0.4460 0.9793 1.2243 1.1909 0.5171 0.3687 1.9936 0.5773 0.9019 0.1771 0.6208 3.2194 0.0869 0.1873 1.0439 0.5796 1.0139 1.9560 1.3862 1.4952 0.6266 0.4592 0.2446 1.8762 0.1749 0.3839 1.6325 0.2690 0.5867 1.0124 1.0077 1.2657 0.4478 0.3657 oleate/vaccenate (18:1) 1.2976 1.2883 0.9440 0.9595 0.7636 0.8877 0.3600 1.1532 1.3410 0.9816 1.0776 0.8703 1.4955 1.4221 1.0887 1.0746 0.9599 1.0481 0.7078 0.8169 1.1736 0.9261 1.0747 0.8097 1.1652 1.0963 1.3057 0.9125 1.0000 1.0177 1.3288 0.8837 0.8774 1.0930 1.3349 0.7536 1.1977 0.7674 1.5562 1.0762 0.8947 0.7399 1.5738 1.2182 1.2711 0.9392 1.0330 0.4541 0.9406 0.7620 1.0036 1.0937 0.8261 1.4473 1.0054 0.9597 0.7951 1.1339 0.4163 1.5085 1.7098 0.5135 0.7245 0.8956 0.5720 0.5252 0.8731 1.0130 0.8383 1.3504 0.5530 1.0420 0.9241 1.6164 0.6425 oleoyl ethanolamide 0.8597 0.7430 0.8463 1.2172 0.8061 0.8676 0.6035 1.1027 1.4267 1.1739 1.1449 1.0545 1.7904 0.4564 1.0664 1.2699 1.0245 1.2938 0.9280 0.8722 1.4782 0.9835 1.1733 0.8089 0.4286 1.1205 0.5418 1.2727 1.6359 1.6293 1.0152 1.1712 1.3515 0.9555 1.4783 1.1353 0.9665 1.0663 1.1076 0.7611 0.8055 1.3141 1.0315 0.7352 1.0532 0.8430 1.0400 0.6448 0.7790 0.7664 1.0598 1.0116 1.1488 1.2304 1.3203 0.6174 0.4427 0.8864 0.7671 0.8028 1.5052 0.8387 0.5618 0.7011 0.6994 0.9387 1.1566 1.0000 1.0907 1.1654 0.6825 0.4004 0.5824 0.9115 0.4701 oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* 0.9372 0.9511 0.8300 1.1571 1.0355 1.0637 0.5821 0.8384 1.0397 1.2712 0.9777 1.4104 1.3930 0.6666 3.0285 1.9054 1.1034 0.6921 0.8058 1.0645 0.9324 1.0338 1.8806 2.1124 0.9053 0.9883 0.4323 1.0847 1.4739 1.0000 0.7839 1.3163 2.3471 0.8209 1.9793 0.9637 0.7531 1.0090 0.6849 1.1545 0.8117 2.3853 0.9778 1.2690 0.8528 1.3053 1.8913 1.0634 0.8694 1.6710 1.1571 0.6602 0.5027 3.2456 1.4522 0.7120 0.7676 1.0912 0.7378 0.7962 0.9596 0.5547 0.9074 1.5947 0.7943 1.0606 1.0059 0.8372 0.7701 0.8908 1.4411 1.0928 0.9397 1.0865 0.7130 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 0.9117 0.9994 0.7773 1.0884 1.2050 0.9746 0.5208 0.7440 1.0095 1.4588 1.1950 1.2179 1.2601 0.6228 3.5649 2.3205 1.1204 0.6406 0.7194 0.9639 0.8416 1.3146 1.9411 2.4925 0.8784 0.8206 0.3894 1.1899 2.0335 1.0261 0.7365 1.4825 2.5917 0.6917 2.0535 0.9224 0.8875 0.9619 0.6750 1.1873 0.7747 2.1855 0.8644 1.2890 0.7693 1.3004 2.2725 1.0345 0.7294 2.3352 1.6313 0.6369 0.4000 3.2383 1.2743 0.5511 0.8327 1.0000 0.7285 0.7339 1.0021 0.5137 0.8651 1.5552 1.1327 1.1335 1.0864 0.7656 0.7923 0.8994 1.4051 1.0960 0.8317 1.0991 0.7115 oleoylcarnitine (C18:1) 0.7167 1.0211 1.3043 0.8562 1.4600 1.0199 1.0378 0.8164 0.9685 0.7342 1.3474 1.0923 0.9548 1.2814 1.2946 0.9951 0.8904 0.9066 1.0029 0.7376 1.4854 0.8304 1.6176 0.9737 1.1275 1.0000 1.2035 1.4891 0.9521 1.4788 0.9948 1.4984 0.9891 1.0144 1.3193 0.8850 1.0553 1.0904 1.2179 0.9841 0.9271 1.3800 1.1484 0.8333 0.9053 1.4139 0.7123 0.4944 0.9447 0.7522 0.8807 0.6756 0.8568 0.9855 1.1829 1.2778 1.3432 1.2999 0.6235 1.5039 1.6489 0.8526 0.7106 0.8152 0.5004 1.2108 1.2870 1.1126 1.0496 0.8788 0.5298 0.7601 1.2695 1.2427 0.7990 oleoylcholine 0.5834 0.2850 0.4977 1.2711 1.9782 1.8085 0.8410 0.7092 0.6540 1.7991 1.0860 1.3872 1.4311 1.0010 0.6074 0.8076 1.9702 1.3932 2.3517 1.1319 1.5768 0.8028 1.5957 1.1744 1.1831 1.2621 0.8877 0.0982 0.2833 1.4336 1.1675 1.2844 1.0000 0.4386 0.8565 0.2464 3.8519 0.2981 2.3183 2.0584 0.7357 1.6730 1.1191 1.2049 0.4549 0.9937 0.3023 0.8965 0.6747 1.4734 0.0967 1.1056 1.2155 0.6968 0.6105 1.0522 1.5392 1.1204 0.1494 0.4389 0.3943 0.6193 1.4896 0.6310 1.2559 0.7035 0.2436 2.2912 0.1696 0.3662 0.8290 1.0689 0.3220 1.9153 0.1763 oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* 1.7185 1.8921 1.3896 2.7375 3.2352 3.8673 0.2504 0.8255 1.3009 0.2504 4.5503 3.8380 0.9235 0.9619 3.9286 0.7349 1.0522 0.4368 1.1189 0.5459 0.9193 3.3473 0.2504 1.4750 1.5712 0.9477 0.5894 0.3755 0.7873 0.8594 0.3178 1.1280 1.3416 0.8264 0.7107 1.3809 0.7848 0.2504 0.7021 1.2295 0.6190 1.5533 0.4309 0.7366 0.2504 0.4659 0.2504 1.7004 2.8967 1.8744 4.5910 0.2504 0.9360 2.7414 0.7732 0.2504 0.2504 0.6369 3.0684 0.4601 1.4196 0.3932 0.8592 0.8289 2.3935 2.9170 0.2504 0.3857 0.5898 1.3018 0.2504 1.0000 0.4273 1.0425 1.1883 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 1.5895 1.6042 1.1054 2.3149 1.4499 2.0179 1.0442 0.4356 0.8218 0.7328 2.7796 1.6043 1.0189 0.9468 3.5177 1.6587 0.9884 0.6040 0.9557 0.8009 1.0588 1.6467 1.4927 1.5845 0.8668 1.4122 0.6455 1.3582 1.2796 0.8196 0.4918 1.4356 1.5757 0.8243 1.2942 0.8853 0.9324 0.5469 0.9456 1.0000 0.7449 1.4552 0.5408 0.7155 0.7507 1.2446 1.1332 0.4231 1.8342 2.0314 1.4837 0.4441 0.8624 4.1338 1.2470 0.4471 0.5672 0.8309 1.1544 0.8892 0.7587 0.6136 0.8251 1.2580 1.2893 0.8226 1.0238 0.8200 0.4440 1.1011 0.9782 1.0385 0.8755 1.0501 0.9400 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 1.6811 1.8206 1.1532 2.3173 1.4841 2.2794 0.9885 0.5402 0.8315 0.8072 2.7738 1.4650 1.1119 0.9661 4.0346 1.7743 1.0886 0.6887 0.8195 0.8394 1.0000 1.6878 1.4560 2.0169 0.9432 1.2691 0.6505 1.5218 1.8414 0.9723 0.6049 1.6970 1.7335 0.8033 1.3882 1.0708 0.9503 0.5114 0.8553 0.9488 0.7034 1.4292 0.5722 0.7192 0.7104 1.2842 1.4737 0.4831 1.6495 2.3805 1.6580 0.4487 0.7282 4.3529 1.1191 0.4385 0.5213 0.8021 1.1028 0.7609 0.8139 0.6122 0.7145 1.3007 1.4285 0.9759 1.0220 0.7285 0.4686 1.0899 0.9559 1.1689 0.8369 1.0700 0.8914 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 1.7883 1.4221 1.3543 2.1415 1.3364 2.7410 0.6604 0.5163 0.8781 0.3567 2.9378 1.6373 1.0135 0.7026 3.9236 1.4884 1.2912 0.3639 0.7519 0.3531 0.7749 1.8459 1.4331 2.7458 0.7055 1.0064 0.3911 1.0000 1.9450 1.1385 0.4459 1.7913 1.9702 0.5544 1.7318 0.7071 0.9884 0.0768 1.1764 0.9262 0.7860 1.7529 0.4625 0.6594 0.5360 1.3763 1.2997 0.3828 1.7390 2.1734 1.6630 0.0768 0.9174 5.1753 1.2346 0.0768 0.6811 0.8756 0.6211 0.5847 0.8926 0.8064 1.2937 1.7613 1.2218 0.8800 0.8375 0.6391 0.3083 1.0225 0.5453 0.9740 1.3067 1.0657 0.5612 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 1.7165 1.4842 1.4936 1.9125 1.2544 2.7467 0.7067 0.6123 0.9845 0.3490 2.7875 1.5333 1.1261 0.7053 4.2408 1.4882 1.2628 0.3959 0.7651 0.5003 0.7476 2.0792 1.5418 2.2507 0.6966 0.8575 0.4503 1.0383 2.1571 1.0570 0.6534 1.7552 1.6132 0.6688 1.7951 0.7932 0.9581 0.2945 0.7854 1.1517 0.9092 1.7876 0.5095 0.6170 0.5466 1.1542 1.4454 0.4381 1.6382 1.6758 1.6176 0.2585 0.8454 4.2647 1.3089 0.2541 0.6302 1.0289 0.6594 0.5165 0.9863 0.7157 1.4479 1.5971 1.0000 1.0840 1.0023 0.7736 0.2965 1.1004 0.4928 0.9717 1.2164 0.9091 0.5992 O-methylcatechol sulfate 0.2121 0.4227 0.4918 3.7341 2.1251 1.5279 1.7556 0.2207 0.6655 1.1770 0.6580 1.1453 1.1302 0.3997 0.4146 2.1016 0.2169 2.4769 0.8700 0.5675 0.5428 0.5373 0.4591 2.6937 1.0812 0.4803 3.2627 5.3471 1.1314 1.6869 1.4059 0.0594 0.7982 1.0000 2.1539 0.2383 0.5725 0.3545 3.4301 0.6208 0.9812 1.0538 0.9438 0.5742 0.7274 12.2995 0.2153 0.2145 1.2942 2.4064 0.2231 1.6502 4.5874 0.5468 1.6549 0.3356 0.9446 0.3270 1.3431 0.2306 0.5859 2.5809 0.9645 1.3407 1.7209 1.0102 2.9571 1.0042 2.6070 0.5297 0.3072 2.0474 1.2756 1.0947 1.2713 ornithine 0.6111 0.6954 1.1128 0.9291 1.2079 1.1176 1.1784 0.9529 0.7872 0.9321 0.9893 1.0000 0.7363 1.1058 0.8672 1.1804 0.7765 1.2237 0.9560 0.8446 1.4837 1.1433 1.4426 1.0804 1.0983 0.9024 1.0888 1.7262 0.8682 0.9641 1.2812 1.3155 0.9535 1.0262 1.1278 0.7341 0.8850 0.9000 0.9328 0.7790 1.0370 1.1653 0.9285 0.6413 0.6225 1.6470 0.5851 1.0273 1.2790 1.0582 1.0228 0.8987 1.0677 1.0633 1.2157 0.9141 0.7904 1.0599 1.4177 0.5647 1.0386 1.3690 0.6588 0.8946 0.5990 1.2023 1.2393 1.0878 0.9573 0.7520 0.7835 0.7752 1.1886 0.9403 1.2016 orotate 0.8388 1.2014 0.8488 0.9394 1.7850 1.1732 1.0953 0.7243 0.9304 0.8691 1.5684 1.1766 1.4863 0.9510 1.7706 1.0538 1.1378 0.9420 1.3345 1.0415 1.0742 0.9903 1.5110 0.7873 0.8999 0.9482 0.8329 0.7021 0.7734 1.0913 1.0457 1.2118 0.7919 1.0530 0.9556 0.5619 0.8041 1.0556 1.8096 1.2541 0.9321 1.2582 1.2763 1.1788 1.3481 0.9570 0.6897 0.8056 1.2880 0.9515 0.4407 1.1225 1.0097 1.0638 1.2988 0.8503 0.8549 1.6770 0.5712 1.5016 0.7683 0.7353 0.5290 0.5376 0.9040 0.4407 1.0219 1.1457 0.7454 0.6325 1.3992 0.5941 1.1746 1.4863 0.9889 orotidine 0.6674 0.8457 0.7827 1.0700 1.9854 1.6231 1.8820 0.5868 0.8297 0.4635 1.2603 1.0100 1.6800 0.3373 1.3053 1.0917 1.2756 1.3418 1.1794 1.0360 1.3226 0.6557 1.2529 1.0818 0.7129 1.0489 1.0600 1.8691 1.2780 1.2244 0.8510 1.0436 0.4797 0.7143 0.7044 0.5187 0.8601 0.8533 1.1271 0.8175 0.9900 1.1213 0.6283 1.1056 0.7702 1.5124 0.3373 0.8033 0.9838 0.8615 0.8766 0.9454 0.5665 1.0729 1.1074 0.5732 0.9598 0.5445 1.0665 0.6597 1.2539 1.0983 0.8851 0.9409 1.0593 1.0484 1.1034 1.0292 0.8402 0.6076 0.8779 0.8835 1.3951 0.7132 1.3593 O-sulfo-L-tyrosine 0.7054 1.0741 0.9919 1.0289 1.1764 1.3032 1.6833 0.7123 0.9085 1.0501 1.3264 1.1275 0.9119 0.6317 1.5422 1.0839 0.9554 0.9168 1.1815 1.0064 1.5123 0.9390 1.2000 1.1404 1.3434 0.8651 0.9031 1.1691 0.9237 0.8439 0.9118 1.2845 0.8135 0.9045 1.3444 0.9856 1.2183 1.0530 0.8285 0.9167 1.1972 1.0881 0.9686 0.7547 0.9226 0.8356 0.5202 1.0067 1.1931 1.0328 0.7157 0.8941 0.8846 0.8387 1.0000 0.8057 1.0153 1.2701 1.4828 0.6776 0.9667 1.0159 1.1111 0.9505 1.2355 0.9676 1.3665 1.2492 0.8553 0.9133 0.6243 1.2029 1.1879 0.8241 1.3399 oxalate (ethanedioate) 0.8256 1.0102 0.5618 1.3964 1.1499 0.7856 1.0207 0.9212 0.9934 1.2782 0.9708 0.9195 0.9511 1.1328 1.0000 0.8470 1.1863 1.3791 1.2312 1.1569 1.1013 0.6724 0.4015 0.8223 1.1052 1.3991 1.2258 0.6801 0.8045 0.7243 0.7148 0.4197 0.5949 0.7127 1.1643 0.9130 1.2372 0.8889 1.3195 0.9240 1.0879 0.9856 1.1210 1.0421 0.8675 1.1800 1.0592 0.5333 1.5364 0.8373 1.0115 0.9466 1.4202 0.8728 0.9224 1.1029 1.1867 0.8296 0.4638 1.0669 1.1928 1.1637 1.1813 0.5495 0.8050 0.6438 0.5668 0.6143 0.7832 1.1027 1.2306 1.3812 1.0488 1.5963 1.0997 palmitate (16:0) 1.2720 1.2470 0.9258 1.0891 0.7926 0.9411 0.3958 1.0000 1.3425 1.0535 1.1186 0.7816 1.5678 1.3028 1.0995 1.0922 1.0334 0.8213 0.7684 0.8902 1.4488 0.8434 1.3212 0.9418 1.1058 1.0678 1.0824 0.9002 1.0398 0.9985 1.3770 0.9691 0.9418 1.1562 1.4271 0.8535 1.3393 0.7933 1.2321 1.1478 0.8125 0.7037 1.5177 1.3683 1.3786 0.6736 1.1890 0.5744 0.8533 0.9157 0.9812 1.1764 0.4797 1.6940 1.0585 0.9108 0.6973 1.1375 0.4903 1.2790 1.8186 0.3940 0.7017 0.9513 0.5768 0.4847 0.8475 1.1026 0.8232 1.3244 0.6409 0.8031 1.1337 1.5972 0.7371 palmitic amide 0.0589 0.6772 0.9608 1.0342 0.9689 1.0304 1.1944 0.8956 0.4970 0.7541 0.3176 2.5320 2.6427 1.6167 3.2166 1.8534 2.2472 1.3371 2.3971 1.1364 1.9072 1.3501 2.2230 1.1418 0.7861 0.8884 0.3120 0.3981 2.0183 0.3442 1.0396 2.5509 1.0552 1.9265 1.5438 1.0000 1.6630 0.5900 1.1654 1.8538 1.7539 0.4650 0.8655 1.0545 1.1434 0.5439 0.3809 1.9696 0.6132 0.8972 0.2277 0.6493 3.1288 0.1122 0.2092 1.1886 0.6514 0.8974 2.0353 1.2887 1.4298 0.6365 0.5051 0.2496 1.9102 0.2164 0.4297 1.7716 0.3205 0.6180 0.9982 0.9501 1.2376 0.4521 0.4117 palmitoleate (16:1n7) 2.1796 1.6582 1.0855 1.1430 0.5334 0.6827 0.1265 1.2185 2.0876 0.8527 1.0007 0.5922 1.3613 1.0675 1.3587 1.2237 1.5600 1.1188 0.8310 0.4749 1.2168 1.2993 1.0024 0.7369 0.7366 1.9829 1.5531 0.7805 0.9943 0.6654 1.6518 0.8946 0.3822 1.5476 1.7635 0.5526 1.6691 0.5296 2.2491 1.0000 0.7786 0.5165 1.4591 1.2754 1.8647 0.2865 1.3780 0.2432 0.3025 0.5390 0.9417 2.1762 0.1691 1.6140 0.9700 1.0092 0.4060 1.0272 0.1653 1.4953 4.3236 0.1760 0.5522 0.5492 0.4528 0.2506 0.6570 1.8566 0.5190 1.4663 0.3022 1.0760 0.6917 3.2793 0.4737 palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* 0.3320 0.7465 0.4383 1.2930 1.9802 0.9470 0.1353 0.6845 0.7750 1.6335 1.9629 0.1353 0.9689 0.5342 2.9280 3.3918 0.8090 1.1736 0.5314 0.9241 0.1353 1.2891 1.5575 2.1432 1.5054 1.3613 0.1353 1.8029 1.1122 1.1979 0.4945 0.1353 1.8207 0.9559 1.7870 1.1067 0.4231 0.9416 1.6981 0.4607 0.8375 4.0975 0.9429 1.1863 0.5524 1.5161 1.0000 1.0952 1.3635 3.4091 0.1353 0.9310 0.2115 4.9360 1.0964 0.5327 0.4154 0.7145 1.8091 0.3151 0.3131 0.3968 0.5394 1.1501 1.0584 1.2923 0.1353 0.8885 0.3972 0.4305 2.1868 1.7458 0.6320 0.5717 1.1936 palmitoleoylcarnitine (C16:1)* 0.9877 1.1712 1.5247 0.7304 1.1310 0.7318 0.6220 0.7804 1.1637 0.7710 1.1910 0.9209 0.9285 1.3923 1.3898 0.9620 1.0086 1.1165 1.0371 0.6618 1.2029 0.8840 1.1999 0.8673 1.0226 1.6884 1.0955 1.2748 1.0557 0.9808 0.7694 1.2459 0.6182 1.0063 1.1957 0.6852 1.3089 1.0524 1.1436 1.0350 0.8450 1.0000 1.1698 0.8292 0.9256 0.8354 0.9353 0.3657 0.7320 0.5498 0.6647 0.8272 0.3990 1.0997 1.0737 1.5435 1.2627 1.0416 0.4374 1.9611 2.0927 0.3373 0.5444 0.6408 0.3345 0.8166 1.1857 1.3364 1.5474 0.9045 0.4362 0.7901 1.0559 1.5300 0.6430 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* 2.7606 1.9113 1.7610 3.0062 1.1258 2.4544 0.2645 0.2562 0.9850 0.4018 4.0974 1.5169 0.8156 0.5909 4.2613 2.2525 1.0012 0.4025 0.4717 0.4321 0.6122 3.6678 1.3751 2.6930 0.7117 2.1218 0.1412 0.5285 1.5745 0.3048 0.0561 1.4466 1.4899 1.4795 1.2725 1.0000 0.1147 0.0561 0.7128 0.5565 0.5231 1.7722 0.4315 0.7694 0.6122 0.0561 1.0151 0.0561 0.5907 4.2294 1.4095 0.0561 0.0561 12.0320 1.6703 0.1511 0.0561 0.5186 0.7043 0.0561 0.6987 0.0561 0.7881 1.2244 1.0418 0.2187 0.6054 1.0512 0.0561 0.7459 0.0561 1.2049 1.0812 1.3008 0.5890 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 1.0964 1.1873 0.8118 1.0780 0.8825 1.0193 0.8651 0.9948 1.1178 1.2980 0.9821 0.7297 1.1255 1.0731 0.7601 0.8422 1.0407 1.0300 0.9349 1.5201 0.8584 0.7366 0.8097 1.1179 0.9973 0.8589 1.2684 1.0000 1.0832 1.4418 1.4619 1.3467 0.9830 0.8904 0.9883 1.2347 1.0532 0.7507 1.0513 1.1297 1.3509 1.1726 1.2101 0.9708 0.9456 1.2363 1.2037 0.7762 0.7983 0.8594 0.8539 1.2699 0.9022 0.7894 0.9352 1.1529 0.9850 1.1384 0.7700 0.9435 1.3795 1.3411 0.9532 1.2272 1.0459 0.9559 0.7736 0.9382 0.9022 1.0855 1.2088 1.3729 0.7129 1.2897 0.8327 palmitoyl ethanolamide 0.8665 0.8724 1.1021 1.5645 1.0063 1.1015 0.7531 0.9936 1.3249 1.3016 1.0688 1.0184 1.8890 0.3338 1.1414 1.0001 1.0348 0.8637 1.0904 0.9829 1.7782 1.0382 1.6381 1.2601 0.3866 0.9400 0.3903 1.3131 1.4843 1.3914 1.1771 1.1690 1.3073 0.9346 1.3408 1.0029 0.7949 1.1448 0.8591 0.9533 0.9315 1.2521 0.7209 0.7270 1.1074 0.7964 0.9879 0.9565 1.0000 0.9341 1.0207 1.1577 0.7333 1.3129 1.3566 0.4709 0.3435 0.8684 1.0755 0.4953 1.2177 0.7847 0.7098 0.7354 0.7505 0.9515 1.2136 1.0097 1.0265 0.8970 0.8149 0.3017 0.7378 0.6611 0.8642 palmitoyl sphingomyelin (d18:1/16:0) 0.9000 1.0521 0.9889 0.9309 1.0823 1.0120 0.9298 1.1051 0.9857 1.1021 0.9531 0.8655 1.0870 1.0704 0.8677 0.9487 1.1311 1.1116 0.9391 1.1499 1.0003 0.9848 1.0030 1.0728 0.9669 0.8729 1.1238 1.0556 1.1556 1.1743 1.2016 1.1916 1.0000 0.9476 0.9509 1.1142 1.0075 0.8223 0.9232 1.0545 1.2060 1.0056 1.0164 1.0019 1.0332 0.9007 1.1214 1.0533 0.9686 0.8958 0.8671 1.0948 0.8711 0.8812 0.9284 1.0301 0.9386 1.1405 0.9831 0.8799 0.9750 1.0086 0.9401 0.9997 0.8471 0.9648 0.9071 0.9182 1.0019 0.9876 1.1150 1.1349 0.8184 1.1508 0.9221 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 0.5295 0.3946 0.4383 0.4218 0.1867 1.1601 0.1867 0.6274 1.7661 0.5045 0.1867 0.1867 1.3162 0.1867 0.1867 0.1867 0.3242 0.5100 1.0618 0.2636 1.6456 0.1867 0.7781 2.1719 1.0176 0.9388 0.2594 0.1867 1.0153 0.3999 0.5809 1.0840 2.3334 0.3833 0.1867 0.5115 0.1867 1.2003 0.1867 2.1882 0.6475 0.1867 0.4221 3.5974 1.4190 0.1867 1.6422 1.7674 0.1867 1.4342 0.1867 1.1453 0.1867 3.0788 0.9843 1.1998 0.9676 1.1620 0.1867 1.3993 1.1537 0.1867 1.3822 0.7972 0.8727 0.1867 0.1867 0.2943 1.3084 0.9847 1.7756 0.1867 1.3390 0.6684 0.3481 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 0.7685 1.1106 0.7788 0.7339 0.5258 1.0298 0.2092 0.4310 1.3508 0.8927 0.9995 1.1960 1.2355 0.6642 2.5625 2.1834 1.3496 0.4163 0.9373 0.7185 1.1480 1.2001 2.0871 4.6713 0.5160 0.5968 0.2092 0.7391 2.3521 0.9066 0.9069 3.0316 3.7960 0.6279 1.1355 0.9318 1.2289 0.7768 0.6245 1.5090 0.8030 1.0540 0.8193 1.8806 1.1884 0.5817 3.8082 1.2268 0.5150 5.2892 1.4781 0.5294 0.2092 5.3628 1.2275 0.4559 0.2617 1.0480 0.8284 1.0077 1.1025 0.2092 0.7932 2.2634 1.0005 0.2092 0.5943 0.7760 0.9419 0.9611 1.4431 0.2092 1.3815 1.0629 0.3933 palmitoylcarnitine (C16) 0.6711 0.9753 1.4186 0.9675 1.4878 1.0056 0.8249 0.8051 0.9648 0.8319 1.3709 0.9802 0.9553 1.0642 1.5431 1.2006 1.0304 0.7923 1.2188 0.8473 1.5825 0.8417 1.9485 1.2621 1.1309 0.9594 0.9640 1.4083 0.9938 1.1916 1.0236 1.7914 0.9651 1.1343 1.3626 0.8925 1.0720 1.2148 0.8379 1.1446 1.0090 1.2843 1.0504 0.9680 1.1198 1.0058 0.7950 0.7401 0.8808 0.9926 0.8237 0.7695 0.3593 1.2474 1.2790 1.0484 1.3433 1.1983 0.8272 0.9914 1.5997 0.5008 0.6038 0.8729 0.4746 0.9937 1.1897 1.0000 1.1660 0.8141 0.7144 0.7623 1.7599 1.1638 0.9731 palmitoylcholine 0.6171 0.3539 0.4682 1.4574 2.0436 1.9808 0.8401 0.7264 0.6550 2.0003 1.0901 1.3500 1.3666 0.9183 0.7087 0.8321 1.9091 1.3895 2.3243 1.3672 1.8132 0.7521 1.6070 1.2531 1.1644 1.3292 0.8604 0.1359 0.3553 1.3659 1.0698 1.5234 1.1722 0.4540 0.7717 0.3064 3.7851 0.3162 1.7891 2.1109 0.6439 1.4105 1.1033 1.4138 0.6183 0.7541 0.3763 0.9760 0.6725 1.6324 0.1051 1.3226 0.8087 1.0000 0.6854 1.0728 1.2635 1.2057 0.2436 0.5692 0.4286 0.4700 1.2231 0.5526 1.2909 0.7238 0.2689 2.1182 0.1868 0.3893 1.0566 1.0112 0.3061 1.7780 0.2025 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 1.3744 1.4878 1.1325 2.3585 1.1157 2.2236 0.6349 0.2990 1.0212 0.7326 2.4640 1.2844 0.9187 0.7613 3.5539 1.4693 1.4719 0.6021 1.1758 0.6350 1.3643 1.6310 2.0598 2.3424 0.6772 0.3570 0.5073 1.3294 1.6435 0.5913 0.3158 2.0243 1.9887 0.8434 1.3985 0.9047 1.0338 0.4385 0.2036 1.1232 0.7238 1.0582 0.5500 1.0139 1.0129 0.7588 1.4742 0.5328 1.2238 3.4691 1.2698 0.4086 0.2888 6.4691 0.5188 0.4084 0.5240 0.7891 1.2606 0.9697 0.8091 0.2965 0.8343 1.4940 1.2857 0.6143 0.2036 0.9524 0.3699 0.9530 0.7922 0.7413 1.3170 0.9871 1.0494 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 1.2755 1.9830 1.3378 2.7080 1.2891 2.6792 0.6512 0.3298 1.0681 0.8741 2.7775 1.2533 1.0369 0.8599 4.3091 1.7066 1.2110 0.6072 0.8389 0.6405 1.1915 1.2640 1.8894 3.2782 0.7855 1.0896 0.5397 1.3589 2.5641 0.8768 0.6100 2.3679 2.2557 0.9699 1.6371 1.1573 1.1766 0.5015 0.5539 1.1498 0.7360 0.9367 0.6338 1.0000 0.9828 0.8675 2.0691 0.6263 1.1573 3.9804 1.6558 0.4007 0.3016 5.9940 1.1245 0.4505 0.4306 0.8404 1.2393 0.8046 0.9410 0.3716 0.9284 1.6603 1.5024 0.5703 0.8139 0.9266 0.4696 1.0804 0.8747 0.8575 1.2598 0.8332 0.9552 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 1.5000 1.2850 1.5631 2.4099 0.9796 3.1268 0.3746 0.3660 1.3138 0.4394 2.4692 1.4013 0.8286 0.4794 4.2384 1.5678 1.5377 0.3542 0.9076 0.5894 0.9168 2.1029 2.1422 4.2168 0.5060 1.1904 0.2425 1.2604 3.1390 1.0168 0.7359 2.6831 2.3637 0.7946 1.9920 0.9541 0.9421 0.2721 0.6228 1.1938 0.8914 1.4370 0.4221 0.9609 0.9913 0.9537 2.1992 0.6140 1.1559 3.3837 1.3332 0.1949 0.4418 7.7336 1.5117 0.1949 0.4457 1.0521 0.8099 0.5608 1.0087 0.5246 1.5723 2.0808 1.4053 0.7417 0.7481 1.1124 0.3458 1.0473 0.6246 0.5710 2.1928 0.8493 0.6225 pantothenate 1.1257 1.0553 0.8165 1.2653 1.0952 1.7412 0.9022 0.8415 1.5465 0.9989 1.0828 0.6492 1.0938 0.7290 1.5836 0.9307 2.0061 0.8329 0.7738 0.5575 0.9071 0.8167 0.7595 1.1773 1.1734 3.2643 0.9394 1.0426 0.8104 0.6947 0.9474 1.2597 0.5783 0.8178 1.0339 0.7386 1.1118 1.2052 1.1839 0.6948 2.2325 1.0352 2.1984 0.8102 0.7810 0.5892 0.4636 0.5005 1.0185 1.2612 1.0232 0.7426 1.2978 1.5319 1.4504 0.7912 1.5985 0.8147 1.4802 0.5254 0.9705 1.1176 1.2095 1.1272 0.9140 0.9088 1.0000 0.6438 1.4283 1.0321 1.1024 1.1968 0.8988 0.7648 0.9150 paraxanthine 0.9410 1.0492 1.2931 0.6321 0.5843 0.7375 0.0871 0.6657 0.6554 0.3106 0.0871 0.0871 0.0871 0.0871 0.0871 0.0871 0.3628 2.2059 1.8752 1.2127 0.4221 0.0871 3.3276 1.9105 6.9627 0.9404 1.5189 6.2310 1.1940 0.7974 2.5362 0.0871 0.0871 0.4835 0.8490 1.3732 1.0776 0.4057 2.9915 0.0871 0.2406 0.6841 3.1667 1.0834 1.0000 4.8042 0.3631 0.1787 0.6797 0.8335 0.0871 1.1625 2.0241 0.0871 3.1225 0.4251 0.2390 0.2980 6.9353 0.2492 8.0628 0.3588 1.2484 8.3845 1.4963 0.0871 0.0871 2.1872 0.0871 4.4359 0.0871 0.0871 0.2308 0.1560 0.0871 p-cresol sulfate 0.6094 0.5984 0.8513 0.7238 2.0042 1.0678 2.1550 0.2887 1.4881 1.7320 0.5782 1.5063 0.2211 0.2486 1.3986 1.0000 0.5535 3.2352 1.3460 2.0756 1.2652 1.0048 1.1806 1.4056 0.0176 0.2419 0.7615 0.0470 1.6143 0.9726 0.8003 0.8557 0.7199 0.6902 2.0644 1.8393 1.7555 0.3519 0.7041 1.4912 1.0393 1.5653 0.7775 1.0345 0.9558 0.3731 0.8906 2.0161 0.3345 0.1964 0.7896 1.0217 2.2710 0.8071 1.6702 0.6257 2.0860 0.4488 3.2893 1.0315 0.3103 0.6585 0.8949 0.2354 1.1147 0.9748 0.8661 1.1890 1.2250 0.3729 1.4425 1.3150 1.1179 1.0094 2.4932 p-cresol-glucuronide* 0.5531 0.5833 1.3467 0.5828 1.5624 0.3990 2.4914 0.1044 1.4994 0.7626 1.0513 1.3154 0.1044 0.1044 2.2587 0.5937 0.1155 13.6332 1.1626 9.9674 2.5310 1.3565 1.6454 1.0136 0.1044 10.8982 0.1880 0.1044 1.7917 0.8520 0.2546 0.7991 0.5184 0.3872 3.7709 3.5464 2.5365 0.2110 0.2549 3.1023 0.6863 4.2611 0.4260 0.4841 2.2721 0.1044 2.2626 3.2534 0.3117 0.1044 0.5010 0.4739 0.7530 0.5912 1.9097 0.2351 2.4979 0.2752 8.0519 2.9673 0.1089 0.2515 0.5822 0.1044 1.1845 0.7959 0.5509 2.1512 1.2219 0.3475 0.4289 1.3645 0.9864 1.0930 9.8870 pentadecanoate (15:0) 0.9967 1.3579 0.8622 1.2612 0.9310 1.0281 0.5993 1.3044 1.3719 0.8628 1.2147 0.9177 1.5761 1.1324 1.0002 1.2537 1.1157 0.6020 0.8386 0.9836 1.2870 0.9979 1.1799 1.0548 0.9152 1.0266 1.3392 1.0487 0.9414 0.8010 1.5228 0.6842 1.0000 1.0057 1.7853 0.8677 1.8644 0.9345 1.1257 1.0811 1.1019 0.7735 1.3430 1.1117 1.3206 0.6165 0.9580 0.7201 0.8858 0.6867 1.1279 1.5112 0.4878 1.4252 1.0771 0.7978 0.7050 1.0583 0.6687 0.9119 1.3685 0.5976 0.7926 0.8592 0.6306 0.6614 0.9846 0.9196 0.9406 1.1534 0.7811 1.0172 1.2550 1.7909 0.8213 perfluorooctanesulfonic acid (PFOS) 1.0136 0.5159 0.8379 0.5319 1.0974 2.3674 0.8507 0.4882 1.6350 1.3552 1.7969 1.8617 1.1404 1.5263 1.8349 0.8738 1.6759 1.5985 1.9338 0.3573 1.4683 0.7109 0.1767 0.7427 0.5816 0.8086 0.5982 1.2375 0.9062 0.1045 1.5083 1.2091 0.5458 0.5922 0.9304 1.0703 1.4795 0.9341 1.4611 0.7776 0.9010 0.7019 1.4944 0.9447 1.1647 0.9808 0.5108 1.0000 1.3788 1.0005 2.0251 0.4475 0.9045 0.7756 1.5494 0.3203 1.8448 0.9732 1.2032 1.2222 0.9283 0.3939 1.3070 1.6023 1.4036 1.0702 0.6322 0.4227 1.3093 1.0173 0.7892 0.8054 1.2126 0.5374 1.0628 phenol sulfate 1.6416 1.0000 1.2945 1.6782 1.0680 1.3600 1.0453 0.8492 0.7400 1.2302 2.3065 0.8241 1.1823 0.9745 1.2020 1.0766 0.7062 1.7269 0.7910 0.8305 2.0726 1.8748 0.3642 2.3599 2.2809 0.1158 2.4807 1.6229 0.8166 0.6539 1.3102 0.9402 0.5376 0.6958 0.9345 0.5934 0.7754 0.6395 1.9360 1.8088 1.1062 6.3281 1.0007 1.0650 1.5140 2.0695 1.1613 0.6262 2.4235 0.6589 1.0893 0.7110 4.6475 1.0340 0.8005 0.6177 0.6820 1.2098 0.8102 0.5749 0.7790 1.5501 0.4975 0.2300 0.6865 0.7470 0.9856 0.8587 2.0505 2.5943 0.8977 1.4760 0.5654 0.5813 0.8843 phenylacetate 0.4227 0.4227 0.4859 0.9497 1.2381 0.9317 1.0076 0.4227 0.4227 1.2725 0.4227 0.6996 0.4227 0.4227 0.4227 1.8475 0.6978 2.8241 1.4077 2.9332 1.2690 0.5434 0.4227 0.7326 0.4227 0.4227 0.4227 0.4227 0.8677 0.4227 0.6166 0.8728 1.0794 0.5539 1.4638 1.3152 0.9924 0.6701 0.8507 0.9752 0.6750 2.2393 0.4227 2.1183 0.7719 0.7273 1.6084 3.9363 0.4227 0.4227 0.7316 0.4227 1.8008 0.7026 1.0735 0.4956 1.5992 0.4227 2.1067 1.3514 0.4227 1.0105 0.4227 0.4227 1.5643 0.9266 0.6136 0.4797 1.9017 0.4227 1.0382 0.6286 0.4227 1.0598 2.9452 phenylacetylcarnitine 0.4387 0.4604 1.4084 1.0000 1.4363 1.5545 2.7864 0.5479 1.1895 0.9923 1.1947 0.5189 0.0881 0.0881 0.3826 0.3988 0.3102 2.7562 0.8574 1.3826 1.0779 1.5598 0.9375 1.1761 0.1577 0.3926 0.0881 0.0881 1.8581 0.3678 0.0996 1.0061 0.7728 0.6912 1.7047 3.1187 0.8737 0.8973 0.7418 1.5681 0.4749 4.7823 1.1058 3.5323 1.3293 0.6023 1.5227 1.9873 0.2418 0.1122 1.1156 0.5802 1.5802 0.4646 2.4502 0.2735 1.3363 0.1256 2.1441 1.9691 0.0881 2.0814 0.5202 0.6240 1.7068 1.2804 2.2685 0.3645 4.4211 0.3932 1.4104 0.5594 0.6754 0.3925 7.1666 phenylacetylglutamate 0.9474 2.1702 0.9153 1.4289 2.4366 2.0161 1.6022 0.2894 1.1825 0.9306 0.7820 1.3129 0.2894 0.2894 1.8495 0.5157 0.3423 3.2217 1.0932 3.4461 1.0989 1.9878 0.5441 1.7185 0.2894 0.8617 0.3108 0.2894 0.8696 0.8450 0.2894 0.2894 1.1921 0.6948 2.4503 1.0000 1.6189 0.2894 0.7021 1.3137 0.5816 2.0287 2.4323 0.9463 0.6078 0.3622 0.9222 1.5639 0.3854 0.2894 1.6970 0.8332 2.3238 0.8137 1.6389 0.5063 0.8328 0.5211 1.7314 0.9378 0.2894 1.1176 1.1925 0.2894 1.3401 0.5660 0.5325 0.6001 2.1378 0.8952 1.3110 0.6550 0.4862 1.0276 4.6715 phenylacetylglutamine 0.6001 1.6069 1.0308 1.5123 1.5346 1.7633 1.8031 0.5705 1.0881 0.7910 0.5999 1.2858 0.1461 0.1304 1.3580 0.8342 0.4514 3.3037 1.2370 2.7436 1.1745 1.3679 1.0942 1.6976 0.1441 0.9226 0.2891 0.2096 1.4126 1.0516 0.4424 0.6665 1.0844 0.7531 2.0959 1.3199 1.3064 0.4238 0.6007 1.3495 0.8607 2.1800 1.5696 1.0705 0.7723 0.8830 0.9289 1.8515 0.6594 0.1701 1.0604 0.6403 2.0977 0.7730 1.6633 0.4513 1.6357 0.7055 2.1183 0.8617 0.2460 1.4443 0.8550 0.2413 1.4927 0.8060 1.0000 0.9976 1.7132 0.6217 1.2122 0.6872 0.6344 0.7243 2.7766 phenylalanine 0.8186 0.8657 1.1271 0.9458 1.0143 1.0950 1.1304 0.9060 0.9367 0.8488 1.2588 1.2956 1.1258 0.9797 1.0159 1.0058 1.1362 0.9715 1.1626 0.8864 1.0000 0.9739 1.1487 1.1853 1.0366 0.9922 0.8163 1.0515 1.1124 0.7234 0.9579 1.0461 0.9019 0.7523 0.9699 0.8338 1.0687 1.1064 0.9666 0.9511 1.1551 0.9752 0.9490 0.9997 1.0271 0.9651 0.9244 1.0128 1.0385 1.0302 0.9948 1.1156 1.1229 1.0072 1.0387 0.8572 1.0702 0.9294 1.1123 0.7063 0.8216 0.9776 0.9130 1.0538 0.8761 1.0823 1.0739 1.1759 1.0206 0.9953 0.9369 1.0102 1.0967 0.8640 0.9826 phenyllactate (PLA) 0.5137 0.6307 1.7115 0.8491 1.2816 1.3291 1.9101 0.5687 0.7130 0.8132 1.1623 1.4881 1.0000 0.8525 0.9942 1.2419 1.2044 1.3847 1.1392 0.7047 0.8862 0.6039 1.0489 1.1362 1.0034 1.0803 0.6287 0.9621 0.9485 0.5006 1.0572 1.7376 1.1083 0.4493 0.8960 0.5083 1.7301 1.1232 1.0310 0.9736 1.3480 1.0859 0.8714 0.7004 0.7619 1.6039 0.5500 0.5593 1.3156 0.8708 1.1464 1.0138 2.3295 1.1493 0.8810 0.5917 1.4591 0.8958 1.1643 0.8521 0.8003 0.9539 0.8578 1.1810 1.0085 0.8883 0.9402 1.1840 0.9468 1.6830 1.4287 1.5650 1.8573 0.6197 0.7614 phenylpyruvate 0.6760 0.7702 1.2763 0.8557 1.2145 1.6626 1.4122 0.6619 1.0340 0.5924 1.3208 1.4453 1.1188 0.6406 0.9407 1.0490 1.2945 1.0116 1.4302 0.7170 0.5230 1.1434 0.8111 1.2922 0.6448 0.8805 0.7593 0.6201 1.0977 0.5534 0.6803 1.5351 0.8437 0.5657 0.6512 0.8980 1.5856 1.3445 0.9435 0.9527 1.7333 1.0402 0.9543 1.2456 1.1569 0.9161 0.7443 1.2191 1.2672 1.2456 0.8823 1.5557 1.9047 1.0000 0.9651 0.5821 0.8565 0.6165 1.3100 0.5905 0.3789 0.9992 0.9868 1.4513 1.2072 1.3222 1.4728 0.6959 1.2887 0.8856 1.9907 1.2561 1.5151 0.5698 1.3258 phosphate 0.8592 1.0020 1.1808 1.2077 0.9524 0.8589 1.0171 1.2547 1.0012 1.0789 0.8112 0.7472 0.9073 0.8505 0.8859 1.1410 1.0578 1.0858 1.0551 0.8235 0.9750 0.7715 0.9508 0.8020 0.8159 0.9010 1.1408 0.7919 0.9287 1.0091 1.0295 0.7372 1.0042 0.9232 0.9763 0.8377 0.9468 0.9254 0.9264 1.1300 1.1369 0.9256 0.8479 1.0919 1.0582 1.0775 1.0849 1.0485 0.9662 0.9955 1.2448 1.1780 1.0712 1.0105 0.8907 0.9482 1.3056 1.0417 1.1378 0.8805 1.0000 1.2996 0.9139 1.1737 1.1138 1.0235 0.9618 0.8510 0.9548 1.0757 1.0769 1.2183 0.9353 0.9236 1.0952 choline phosphate 0.6952 1.0806 0.8282 1.3642 1.2733 1.1289 1.2068 1.2183 0.7097 1.0298 1.0000 1.0907 0.9761 1.1227 0.8082 1.2603 1.2179 0.8774 0.9276 0.9808 0.7272 0.8605 1.3515 1.2566 0.9232 0.9490 0.9236 0.6266 0.8702 1.3352 1.8349 1.0996 0.9408 0.9716 0.7925 0.7197 0.9984 1.3910 1.0547 1.1968 1.4385 1.0884 0.5888 1.3423 1.0904 1.0467 1.0748 0.9592 0.9247 0.6782 1.2352 0.9498 1.0656 1.1106 0.9389 0.6690 1.0561 0.5478 1.4109 0.8395 0.6781 1.5735 0.9461 0.9597 1.2077 1.0900 1.1427 0.8656 0.8871 0.8580 1.5103 1.1816 0.8824 0.9923 1.3995 phosphoethanolamine 0.6960 1.1111 0.7393 1.4143 1.0352 1.3456 1.0868 0.7352 1.0001 1.0430 1.0390 0.9262 1.1612 1.2101 0.7082 1.3102 1.2010 0.7263 0.6579 1.0335 0.5459 0.9355 1.4369 1.1053 0.8373 1.1073 1.0354 0.4155 0.8924 1.5443 1.6393 1.2143 0.6521 0.9495 1.1053 0.5178 1.2220 1.3160 1.4004 1.1282 1.2922 1.1630 0.7254 1.4138 0.9610 0.8739 0.7367 0.7796 1.0822 0.5604 0.8429 1.0131 0.9482 1.5382 0.8975 0.6015 0.8779 0.5604 0.7766 0.9251 0.8533 1.3106 0.7506 0.9168 1.0000 0.8119 1.2971 0.7654 0.7961 0.7983 1.5034 1.1120 0.9570 1.3580 1.1912 phytanate 0.9702 1.5378 2.0118 1.4144 1.2236 0.9735 1.1214 1.2158 1.6700 0.7697 0.8106 0.8776 0.8383 1.0260 0.5459 1.0000 1.6802 0.4860 0.9935 1.1400 1.6219 0.3629 1.2471 1.1034 0.7943 1.0356 1.2050 1.0748 0.6255 0.5217 1.3843 0.6845 1.0537 0.8652 3.7274 1.2306 1.8730 2.2319 0.7888 2.7147 2.2359 0.8508 1.2582 0.7775 0.7548 0.7542 0.6393 1.7944 1.4921 0.3982 0.8267 1.5006 0.5490 0.4784 1.1383 0.6153 0.9237 1.1159 0.6238 0.5145 2.9702 0.8252 1.1257 0.5969 0.6069 1.2692 0.8793 0.7446 2.4369 1.1768 0.7742 0.5588 1.6041 0.5909 1.7736 picolinate 0.9021 0.3856 1.4295 0.9081 0.8769 1.1866 0.8316 0.6208 0.7185 1.8058 1.0316 0.7214 0.9646 0.6080 0.4641 2.0598 1.1269 0.5821 1.5842 0.3856 1.4501 0.5747 1.2933 1.3744 1.0065 0.9039 0.7648 0.6122 1.2005 0.5676 1.6831 0.9415 0.6738 0.5107 1.6086 0.5128 0.8864 3.2974 1.2034 0.8147 1.1977 1.6778 0.7427 1.4280 0.8666 1.5325 0.9935 1.5268 0.9264 1.0177 0.4717 0.9636 1.5936 1.0072 1.1975 0.7521 1.6434 0.6425 1.6252 1.7223 0.9343 1.0222 1.0507 1.4917 1.6067 1.0867 0.9853 1.4803 2.0698 1.3287 0.7657 0.6839 1.6799 0.7701 0.9538 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 1.0469 1.2817 1.0150 1.2574 2.4140 1.1621 1.9584 0.4236 0.6588 0.7489 0.2651 1.1341 0.4857 1.6653 0.2016 0.7804 1.3463 2.7867 0.9850 1.4679 1.6699 0.2016 0.7511 0.6401 0.2562 1.0390 1.8832 2.1238 0.8623 2.7484 1.2261 0.2016 0.2016 1.2053 0.8654 1.2267 1.6302 0.5052 1.1290 0.8376 1.9914 1.5096 0.5701 0.7966 0.7853 18.7050 0.5829 0.7235 0.3831 0.3226 0.7194 0.9322 2.7890 0.7258 1.0821 0.6060 0.7866 1.6200 1.6950 0.8771 1.9799 0.9698 1.2475 0.3258 0.9050 1.2407 1.4450 0.5769 0.9585 0.8317 1.1739 0.6443 1.4509 0.5441 1.7199 pipecolate 1.4225 0.7135 0.4822 1.4332 1.0000 3.1853 0.7857 0.4673 0.4157 0.6032 0.5217 1.1222 0.6523 1.3947 1.2130 0.7592 1.1758 1.2424 2.9916 0.5751 1.0042 4.9434 0.5974 1.1351 0.5321 0.6336 1.2537 0.9942 0.5884 1.3288 6.7184 0.7963 0.2923 0.4867 1.0140 1.2006 10.9970 1.3805 5.4953 0.7823 0.8907 0.9040 2.0517 0.4504 0.3352 0.7890 1.9025 0.9127 0.4002 1.0350 1.0269 0.6052 1.1567 0.7515 2.1651 0.5047 0.9608 1.2540 1.0034 1.3209 3.9863 0.6837 2.0981 1.0852 1.4340 0.9354 0.6627 2.6720 0.5247 2.3896 0.8520 0.7705 0.7843 1.4308 3.1116 piperine 0.6026 1.6891 0.5099 0.9108 1.2697 1.2513 0.4246 0.2998 4.7644 1.5862 0.6674 0.0471 4.0650 6.5866 0.5635 0.3212 0.4202 0.0325 9.5186 2.3761 0.4526 0.2818 3.3426 2.5079 2.0812 0.1705 1.8380 0.9001 1.0947 0.7279 3.3489 0.8840 2.4879 1.4894 1.3201 2.4931 0.2372 6.5900 0.1885 0.8514 0.6360 6.9209 0.3518 0.7331 0.9427 3.0070 0.3525 1.9858 5.1208 0.7776 0.6790 0.9269 0.0147 2.0110 3.8432 1.7054 2.3598 2.5383 1.8496 0.2252 6.4747 12.7552 1.0425 1.9692 0.5156 0.5042 0.3160 6.9047 0.0828 1.6752 0.0270 8.1101 1.0000 0.3969 0.8550 pregn steroid monosulfate* 0.7895 0.7898 1.9271 1.1305 2.1877 2.5786 1.5947 0.6874 1.3042 1.2862 2.2607 1.6021 1.3368 0.7820 1.0273 1.1614 0.8093 0.2585 0.8861 0.4019 1.6004 0.3533 0.7714 0.7104 0.9621 2.2427 0.7912 0.8473 1.2639 0.5540 0.4937 1.3539 1.0479 2.3083 1.0100 0.9870 0.9839 0.9038 1.5005 0.9000 3.3880 0.5887 0.7187 1.0015 0.4348 1.0877 1.2633 0.8211 1.4532 0.7276 0.9815 0.8775 1.4604 0.8499 1.5589 0.6057 1.5841 1.3537 1.4359 0.4538 0.5037 0.6812 0.4263 0.3197 0.3782 1.2167 2.1919 1.3285 2.1324 1.0000 0.7533 1.1300 1.2242 0.8158 1.7809 pregnanediol-3-glucuronide 1.0552 1.0000 0.8249 0.8708 2.7175 1.3011 1.1345 0.4742 8.3425 0.9129 1.1109 0.7715 2.2708 0.8382 0.6684 1.3675 1.4577 0.9507 1.2496 1.5954 0.8592 0.2029 0.4544 0.3691 0.4239 2.7639 0.7386 0.8748 0.6709 4.4177 1.2763 0.7170 0.4820 2.7245 10.0529 4.1729 1.3524 0.4079 11.2237 1.4548 2.0049 0.2572 6.0838 6.6251 0.2781 1.3214 24.8858 0.8923 0.8670 3.8588 1.8351 1.6961 0.6143 1.4221 1.7353 1.2100 1.0572 2.9923 0.7235 0.8960 0.5761 0.4319 0.3893 0.1167 0.9760 0.8758 2.3104 4.9658 0.5939 1.0222 6.0835 0.9449 0.5255 0.8865 0.9823 pregnanolone/allopregnanolone sulfate 0.5874 0.6685 0.3094 0.6930 0.7599 0.2226 1.4675 0.2226 14.5575 0.7537 1.0711 0.2226 1.2249 0.2226 0.2226 0.7611 0.2226 0.2226 0.2226 0.5462 0.2226 0.2226 0.2226 0.2226 0.4458 2.1810 0.2226 0.3192 0.2226 2.4747 0.2226 0.2226 0.2226 1.2168 5.3445 2.9638 1.0000 0.5393 7.2536 0.2226 2.0728 0.2226 3.8649 5.4958 0.2226 0.2226 29.2463 0.6296 0.2226 5.1360 0.6053 0.6265 0.2226 3.2057 0.9991 0.2226 1.4855 1.8378 0.7849 0.4725 0.2226 0.2226 0.2226 0.2226 0.7227 0.4599 1.1686 3.2266 0.2226 0.6518 3.7920 0.2226 1.2771 0.2226 0.9410 pregnen-diol disulfate* 1.0144 1.1702 1.2530 1.2629 1.5744 1.9138 1.3907 0.7950 0.9220 1.5481 1.2996 1.2667 0.9660 0.8787 0.9499 1.1081 0.6138 0.1985 0.8653 0.3991 1.6758 0.4139 0.9074 0.5724 1.0014 1.5333 1.1262 0.4557 1.1381 0.6002 0.6872 2.0662 1.1305 1.4264 0.8965 0.8249 0.9882 1.1288 0.9652 0.7432 1.5692 0.6670 0.8590 1.7353 0.6999 1.5440 1.1743 0.6254 1.1001 0.5146 0.6460 0.6267 0.7742 0.7417 1.1578 0.8750 1.3859 1.5047 1.0000 0.5151 1.0651 0.6744 0.5417 0.6028 0.2504 1.0865 1.5209 2.0065 1.6007 1.2416 0.9738 1.0028 0.6244 1.0538 1.4060 pregnenolone sulfate 0.6730 1.3128 1.4622 1.1583 2.5547 1.5502 1.2111 0.6034 1.1578 1.0893 1.1110 1.1890 0.9979 0.5390 0.4867 1.1542 0.8702 0.1606 0.5275 0.4324 1.2832 0.0874 0.5503 0.5105 0.5167 2.8789 1.2574 0.5043 0.5575 0.5614 0.5367 1.4657 1.3264 1.9225 0.8557 0.7891 2.3010 0.9586 2.4486 1.1633 4.0678 0.2512 0.6543 1.0000 0.0874 1.4502 3.4164 0.7236 1.1158 0.6807 1.3486 0.7661 1.0012 0.6101 1.3427 0.4311 1.5684 1.2984 1.1057 0.5048 0.5379 0.4086 0.4670 0.0874 0.7947 1.0920 2.1537 1.5200 0.9938 1.0005 0.9651 0.7208 0.7446 1.7993 1.2657 pristanate 0.2367 0.8465 0.9586 1.6067 1.2203 0.6133 0.8460 1.2341 1.2312 0.9041 0.9495 0.9365 0.9969 0.6291 0.2367 1.9562 1.4072 0.2367 1.4726 1.4748 1.7312 0.2367 0.8213 1.2515 0.2367 1.0075 0.7867 1.4097 0.4103 0.3563 1.3270 0.7502 0.2682 0.8310 3.3268 1.2588 1.7132 1.2149 0.6504 1.0403 1.8435 0.6256 0.5319 0.2367 0.2367 0.9261 0.6257 1.5531 1.1732 0.2367 0.2367 0.2367 0.7553 0.3794 1.0994 0.8766 1.0000 0.9018 1.3008 0.2367 2.3319 0.2367 0.9509 0.2367 1.1879 1.3149 0.8028 0.9445 1.2825 1.0741 1.0277 0.5941 1.2744 0.4730 1.8377 proline 0.8049 0.7907 0.9780 0.8266 1.1836 1.0475 1.0591 0.8487 0.7873 1.0218 1.3211 1.0968 0.9332 0.9981 0.9167 1.2946 0.9172 1.0437 1.2593 1.0443 1.0489 1.1025 1.2273 1.8549 1.0555 1.3191 0.7649 1.1595 1.2720 0.8103 1.2083 0.9202 1.0892 1.0000 0.9861 0.8873 0.9194 1.0525 0.9616 0.8953 1.0284 2.3880 0.8955 0.6708 0.7354 1.0626 0.8122 1.1538 1.6116 0.9766 0.7489 1.2131 1.1105 0.9819 0.8666 0.7656 0.7906 1.0834 1.5722 0.6610 1.0925 0.8149 0.7724 1.0433 0.6981 1.0264 1.1643 0.9634 0.9623 0.9016 1.0638 0.8919 1.4542 0.9160 1.1611 prolylglycine 0.6312 1.3644 1.1517 0.6433 2.7264 1.6175 1.1347 0.8618 0.8555 0.9001 1.1763 1.4912 0.7948 0.9646 2.0698 1.3394 1.1826 0.9729 1.4448 0.8295 1.7452 1.0994 0.9159 2.7621 0.9481 0.9105 0.8243 0.9748 1.5154 1.1036 1.0283 1.6310 0.7867 1.0140 0.2531 0.6492 0.8789 1.2191 1.4604 0.9782 1.0433 1.2473 0.5498 0.6433 0.7845 1.0283 0.4195 1.4674 1.1264 0.9362 0.6807 0.7172 3.4256 1.0644 0.5934 0.4730 1.2077 0.6845 1.8881 0.2531 1.1239 0.9086 0.7962 0.4537 1.5477 0.9746 1.2557 1.1620 0.9882 1.0118 0.3885 1.5188 2.0862 0.6969 0.9569 pro-hydroxy-pro 0.8483 1.5752 2.3601 1.1234 1.2281 1.5117 2.1124 0.9489 0.8665 0.8672 1.2550 1.4392 1.0012 0.8021 1.7379 1.5569 1.7301 1.7342 0.9706 0.9090 1.3583 0.7601 1.3699 1.4033 0.8035 0.9988 0.5703 0.9373 1.7098 1.9573 0.7373 0.7745 0.9501 1.0975 0.7890 0.7477 1.1861 0.8225 1.2356 0.9222 2.7146 0.9389 0.7572 0.8226 1.2380 1.2923 1.3154 0.5948 1.3846 0.9684 1.1987 1.4381 0.9023 0.6991 0.5233 0.6305 1.9442 0.8829 1.5820 0.5233 1.3695 1.3324 0.9271 0.6258 0.7498 0.9657 1.6639 0.8966 2.2209 1.0366 0.7301 2.1563 1.1536 0.7129 0.9663 propionylcarnitine (C3) 0.6181 0.5951 1.0279 0.5857 1.0742 1.6955 1.6869 0.7647 0.8605 1.3105 2.4521 0.8059 0.8977 0.7685 1.5910 0.9323 1.0277 1.1263 1.6959 1.3512 1.2748 1.0943 1.3885 1.4833 0.9455 0.5726 0.6746 0.9259 1.7676 0.7120 0.6832 1.2751 1.2216 1.1311 0.8519 1.3241 0.8235 1.6794 0.6930 0.9011 0.9269 1.5325 0.4426 1.1016 0.7485 1.2123 0.5674 0.8837 0.8007 1.1484 0.8340 1.2219 1.0710 1.0000 1.0080 0.7218 1.1910 0.7032 1.7683 0.6148 0.2401 1.1487 0.6865 1.0884 0.8630 1.5533 3.3495 0.8210 1.8717 0.8074 0.8987 0.7318 1.7969 0.4425 2.4141 propionylglycine 0.5966 0.3307 0.7018 1.5161 0.8052 1.9575 1.1772 0.7175 1.8831 2.2467 0.9386 1.7112 0.8892 1.0016 1.3691 1.8526 0.8420 3.9432 0.8020 4.1215 0.3012 0.8199 1.1503 1.1859 0.3012 0.3973 0.3012 0.5607 0.9634 0.8721 0.9468 0.8328 0.9984 0.8939 0.3012 1.9287 0.3012 0.3012 0.7250 0.3012 1.5448 1.0030 0.5197 0.3012 0.3012 1.9698 0.3012 0.7452 1.2178 1.6112 1.1248 1.0871 3.1660 1.0687 0.7294 0.3012 3.0232 1.0541 1.3407 0.3012 0.3012 1.0795 0.7579 0.4302 0.9670 0.8976 2.3958 0.3012 2.1850 0.7685 0.8881 0.6181 1.9229 0.8655 2.4009 propyl 4-hydroxybenzoate sulfate 2.8403 0.0737 0.0737 0.9360 8.5114 0.0737 0.0737 0.5456 1.2142 0.0737 0.0737 0.0737 3.1526 1.2516 0.0737 0.0737 2.2534 0.6101 0.1123 0.6593 1.0000 0.5641 0.6899 0.0737 0.0737 0.0737 0.0737 0.0737 0.0737 1.1000 9.0799 1.7104 0.1029 6.6896 0.3099 0.2693 0.0737 2.9855 0.9449 6.8520 0.0737 0.0737 0.1973 0.0737 0.0737 0.0737 6.4928 7.8760 0.0737 1.4316 0.1271 0.7734 1.3652 0.5139 0.0737 16.1976 0.1526 0.0737 0.0737 0.1884 0.0737 1.5921 1.5953 0.4701 0.4928 1.6129 0.0737 0.3788 0.0737 1.7207 0.1745 0.0737 0.0737 0.0737 3.1311 pseudouridine 0.8262 1.3387 0.9976 1.1553 1.1569 1.2643 1.4339 0.8008 1.0096 0.9521 1.2152 1.1079 1.2346 0.7718 1.1962 0.9890 1.0588 1.1132 1.0708 1.0859 1.1708 0.8800 0.8772 1.0508 0.8895 1.0024 0.8444 1.3108 1.1103 1.0655 0.9416 1.0518 0.8885 0.8564 1.0322 0.8890 1.2785 0.9429 1.0299 0.7812 1.1034 1.0283 0.9623 0.9462 0.8501 1.1679 0.7460 0.6995 1.0095 1.0546 0.9927 0.8534 1.0896 0.9685 1.0945 0.8049 0.8910 1.0081 1.0672 0.7774 0.9765 1.1536 1.0000 0.8599 0.9483 0.9789 0.9333 0.9174 0.9245 0.9782 0.7814 1.0190 1.1129 1.1080 0.8906 pyridoxal 1.2732 0.4784 3.4989 2.0610 0.2089 0.3489 0.2898 0.8164 0.9363 0.8141 1.9764 0.2089 1.5609 1.1771 1.1119 1.0746 1.0005 0.6601 1.2159 0.4231 0.6045 0.2089 0.5413 0.2089 0.2089 4.2266 0.8795 0.9766 0.2655 1.8087 1.6255 0.7747 0.7224 1.0609 0.2089 0.4405 0.2453 1.2891 1.6780 0.4443 1.5698 1.1938 1.3518 0.2089 0.8766 0.7597 1.6386 0.5689 0.4564 1.7622 0.7136 1.0049 0.8672 1.5310 2.7562 0.4452 8.5946 1.1454 0.9995 0.9950 1.7368 0.5947 2.1704 1.2336 0.7081 0.8770 1.2780 0.9801 2.2393 1.0875 1.0453 1.5897 0.2089 0.9187 0.8059 pyridoxate 0.7825 0.6834 1.2158 1.3530 1.0014 1.0721 1.7944 0.4591 0.8455 1.2259 1.4235 1.0559 1.8019 0.5717 1.6600 0.9468 1.2062 1.1155 2.2101 0.7081 0.9534 0.4416 0.5341 0.7072 1.0378 2.9644 0.6642 1.2677 0.5810 0.6630 1.3825 1.0000 0.7899 0.6108 1.0006 0.4918 0.5638 1.2175 0.9578 0.7671 2.3198 1.1891 0.9806 0.4936 0.9417 1.2571 0.7218 0.4630 0.7840 1.4833 1.8028 1.0076 1.5876 1.2338 1.3850 0.7003 5.8703 0.8712 0.9732 0.6863 0.7547 0.7294 1.1407 1.0593 1.0863 1.0797 0.6893 0.6616 1.7731 1.0590 0.6601 1.5820 0.7452 0.4503 1.0455 pyroglutamine* 0.2871 2.2773 2.0370 0.8788 2.1177 2.4496 2.5759 0.4551 0.4158 0.8237 2.2092 1.1448 1.3970 0.4041 1.0651 0.9973 1.0000 1.8829 1.2922 0.6141 1.7890 0.5050 1.8773 1.2744 1.6677 1.1461 0.5960 2.3167 2.0577 0.4108 0.2583 0.9239 1.7349 0.4152 0.6535 0.4386 2.2988 1.3665 0.6553 0.2587 1.2051 1.3635 1.5734 0.7647 0.3740 1.4781 0.3095 0.3798 1.8262 0.4735 0.6243 0.3112 1.7041 0.3174 0.6644 0.3390 1.4018 1.7427 1.1655 0.4042 0.9842 0.7073 0.7602 0.3895 1.4312 1.3833 1.5236 0.7536 0.9192 1.2583 0.3749 1.2173 1.5644 1.2835 0.3723 pyrraline 0.5710 0.5410 0.5027 0.7596 0.2102 0.4911 1.2814 1.0481 0.3125 1.7643 1.2067 0.9728 1.6206 1.0000 0.3141 0.7448 0.4663 1.8652 0.5526 1.8531 0.8482 3.7291 1.4744 3.0854 0.5107 0.5918 1.2040 0.6733 2.9894 2.0703 2.0201 0.2102 0.3976 0.4991 0.3555 0.2759 1.1271 0.6768 1.2867 0.8999 1.7241 1.1068 1.9114 0.2102 0.2102 3.5851 1.0047 0.5005 3.4802 1.4196 0.9606 1.2377 4.9405 0.9436 0.2470 0.2102 0.5405 1.7618 1.4002 0.2102 0.2102 2.7317 1.2655 0.2102 3.7582 0.5158 1.2543 0.4898 1.1046 0.3659 0.2576 0.6441 0.9653 0.2102 3.1116 pyruvate 0.8960 1.0380 0.8873 1.0648 1.0973 1.0566 1.1163 0.7956 0.8694 0.9190 1.0581 1.0775 1.0661 0.9961 0.8711 1.0251 1.0586 0.8168 0.8434 0.9075 1.1095 0.9723 1.1318 1.4363 0.8221 0.8744 0.8522 1.2963 0.9781 0.7683 0.8915 1.1708 1.4289 1.0718 1.1877 1.0740 1.0788 1.0569 0.9023 0.8407 0.9607 1.0525 1.0976 1.0097 0.9758 0.8089 0.8077 0.9424 1.1632 1.3791 1.1096 1.0000 0.9734 1.3961 0.9569 0.7663 0.7700 0.8721 1.2147 0.7856 0.9264 1.1172 0.9150 1.5382 1.2613 1.2296 1.3483 0.7521 0.8617 0.9672 0.9194 0.8931 1.1212 1.0193 1.2740 quetiapine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 quinate 0.1115 0.9959 0.1151 0.7379 8.5468 1.1654 0.2045 0.6328 1.4171 0.8202 0.0316 0.2226 0.2188 0.1984 0.1548 3.0436 0.0586 10.3790 8.0680 3.8417 0.0893 0.2739 3.6129 5.0583 17.5704 0.1613 0.2153 25.5491 1.3626 8.2163 1.0140 0.0316 0.0964 1.5302 0.7126 0.3770 5.0461 0.1496 12.3143 0.0445 7.4760 0.4144 18.9224 6.5882 0.1933 18.2782 0.1666 0.0450 1.4360 10.5873 0.8515 4.6869 11.5077 0.0316 7.5076 0.3673 0.1658 1.0041 0.6235 0.1385 2.6372 5.2459 1.8087 11.8304 3.3903 5.3815 0.1013 4.2895 7.9425 2.3022 0.0316 0.7120 0.4683 0.2978 0.5176 quinine 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 1.6450 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 0.3550 quinolinate 0.7120 0.5336 0.6435 1.1258 0.6853 1.0000 1.7572 0.7848 1.5450 1.4621 1.1398 0.8109 1.4530 0.4251 0.9080 1.0358 1.1371 1.1989 0.7723 1.3532 1.1440 1.0452 1.0332 1.6479 0.6748 0.7522 0.4527 1.1640 1.5361 1.1010 0.9655 1.3078 0.7792 0.7682 0.8392 0.6158 1.2043 0.8420 0.7804 0.7420 0.9406 1.1149 0.9495 1.7017 1.0684 1.3988 0.8517 0.8155 0.9007 1.2330 0.6390 1.2591 1.1561 1.3137 1.0114 1.1042 1.0387 0.6648 1.2626 0.5388 0.7372 0.4248 0.8045 1.0677 1.1840 0.8799 0.8256 1.0627 1.3147 0.5977 0.5906 0.9984 1.8844 1.1299 0.7935 retinal 2.7704 2.7757 1.3970 1.0869 2.0522 1.4928 1.5837 0.6351 0.8016 1.0940 1.2417 0.6968 0.2569 0.2227 1.1818 1.0371 0.5416 0.8130 0.9808 0.5981 0.4489 0.9567 0.2227 1.7082 0.9670 1.0000 1.3652 1.9976 0.4136 1.0694 0.8477 0.2227 0.3759 0.4899 2.0980 0.6901 1.0572 1.0907 0.9926 0.8145 0.3198 1.2814 0.7907 1.1076 1.0830 1.0726 0.9083 0.5711 1.4156 1.4371 2.4619 0.9737 0.6019 2.2386 0.9673 0.2307 1.6898 0.8796 0.9214 0.4587 0.7033 2.3081 1.1642 1.4824 1.5728 2.0668 0.5352 0.7233 0.7803 1.6811 1.1734 0.7777 1.3597 0.8142 1.0183 retinol (Vitamin A) 1.2806 1.4335 1.0668 1.1100 1.5597 1.8907 1.2905 0.7376 0.8780 1.0074 0.8031 0.9838 0.7203 0.8186 1.4855 0.9520 1.1967 0.9120 1.4918 0.8529 0.9380 0.6416 0.6634 1.6283 1.0208 0.7963 0.6578 0.9642 1.0020 0.6031 1.0114 1.4728 0.6499 0.5595 1.2758 0.7469 1.2914 0.9094 1.0579 0.8890 1.0632 1.1826 0.9692 1.0000 0.9017 1.0233 0.7832 0.7826 1.2635 1.3053 1.4179 0.9835 1.0410 1.0956 1.2424 0.6487 0.9727 0.8822 1.0310 0.9554 0.8522 1.3070 1.3952 0.9519 1.5392 1.4279 1.0422 0.8959 0.9775 1.1346 1.0846 1.1083 0.9905 0.9122 0.8692 ribitol 0.7224 0.9556 0.8761 1.1527 1.0220 1.0001 1.0296 0.9511 0.9189 1.1143 1.5085 1.0978 1.0920 0.8903 1.0000 1.0958 1.2040 1.2931 0.9852 1.0381 0.9733 1.0002 1.0710 1.4152 0.8964 0.7565 0.9071 0.7486 1.1679 0.9499 0.9129 0.9101 0.9493 1.0016 1.1052 1.2991 0.9493 1.0566 1.4545 0.6600 0.9376 1.1363 0.7346 0.8556 1.0423 0.9471 1.0205 0.8424 1.0132 1.2113 0.9127 1.0133 0.9303 1.2821 1.0187 0.7356 0.9446 0.8563 1.0919 0.8557 0.9973 1.0967 1.2397 1.1503 1.1389 0.9982 0.9869 1.0966 0.9964 0.8723 0.9629 0.9947 1.4190 0.9806 1.7981 ribonate 0.6662 1.2743 0.5749 0.9776 1.1339 1.5921 1.0646 0.7011 0.5908 1.1738 1.1313 0.7957 1.3020 0.9837 1.3020 1.1660 1.2875 1.2849 0.8210 0.8690 1.1472 0.9703 0.9277 1.0457 1.0759 1.0147 0.9271 0.8631 0.5936 0.7553 0.5256 1.1438 0.7573 0.5683 0.9152 0.7930 1.1418 1.1859 1.3998 1.1602 0.8529 1.3695 1.0586 0.9312 0.5936 0.8540 0.6016 0.8434 1.2906 1.1958 0.8234 1.6449 1.4380 1.0425 0.8633 0.8168 1.3061 1.9111 0.5374 0.8007 0.7007 0.9052 1.6061 1.0000 0.7772 0.7313 0.8392 1.0763 1.1034 1.2109 1.3145 1.1890 0.9140 1.2753 1.0235 ribose 0.3656 1.7118 0.1380 0.1380 0.5216 0.5525 0.1380 0.1380 0.1380 0.1380 1.3175 1.4328 0.9591 0.1380 0.1380 0.1380 0.7582 0.1380 0.1380 0.8469 0.1380 0.1380 0.1380 0.1380 0.8296 0.4953 0.1380 0.1380 0.1380 0.5427 0.9162 0.1380 0.1380 0.1380 0.1380 0.1380 0.1380 1.1433 2.1787 0.9050 0.1380 2.0265 0.1380 0.1380 1.8289 0.1380 0.7171 1.2806 3.7684 0.1380 0.1380 1.2716 0.1380 2.1339 0.1380 0.1380 1.5635 1.9336 0.1380 0.1380 0.1380 0.1380 1.7424 1.0274 0.1380 0.1380 0.1380 0.1380 0.5785 1.3961 0.1380 0.9726 1.4773 0.7763 0.6866 S-1-pyrroline-5-carboxylate 1.1095 0.9360 1.2848 0.8912 1.1921 0.9514 1.2166 0.8420 0.6184 1.1661 1.5478 1.0449 0.7592 0.9244 1.2294 1.0463 1.1416 1.2635 1.0983 0.7960 0.9519 0.8070 0.7794 2.4797 1.2978 1.4332 1.0507 0.7328 1.2840 0.7000 0.8854 1.1978 1.9626 0.9368 0.9799 0.9916 1.1139 1.8907 0.8560 0.7365 0.9505 1.7009 0.8518 0.8286 0.7486 1.5058 0.8697 1.0394 1.5972 1.2558 1.1484 0.9450 1.5489 0.8625 0.6452 0.7045 1.0000 0.8610 1.1178 0.5137 0.9731 1.0215 1.0125 0.9928 0.5454 0.7823 1.3041 1.0470 1.3749 0.9819 1.4860 0.8457 1.6803 0.8200 1.3009 saccharin 0.4230 0.4230 0.4230 0.4230 0.4230 2.3767 0.4230 0.4230 0.4230 0.4230 0.4230 0.4810 0.4230 0.4725 0.4230 0.4230 0.4230 0.6816 0.9779 1.0347 0.4230 0.4230 1.0394 0.4230 1.0221 0.4230 0.4230 9.6693 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 1.9336 0.4230 0.4230 0.4230 0.4230 0.8265 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 0.4230 S-adenosylhomocysteine (SAH) 0.6025 0.7129 0.8778 1.7748 1.3610 1.3475 1.3815 0.4811 0.4811 1.0660 1.1362 1.2424 1.6285 0.9630 1.1733 0.7365 1.1580 1.1652 1.4294 1.0217 0.9710 0.6968 1.3098 1.2166 0.7837 0.4811 1.4317 2.9388 1.5562 1.5329 0.7113 1.2634 0.7784 0.9502 0.8912 0.7800 1.2733 0.8594 0.8518 0.9072 1.1810 0.7816 0.6333 0.4811 0.8918 1.4856 1.1344 0.9472 1.1106 0.8343 1.8129 0.7121 0.9972 1.7068 0.4811 0.5949 0.4811 1.5636 1.0028 0.4811 0.7802 2.3279 0.5460 0.8312 1.1266 0.4811 0.8807 1.2920 0.9203 0.5264 0.8885 1.3539 0.8592 0.6179 1.6927 salicylate 1.7288 0.2214 1.0101 0.6799 2.4470 1.4233 0.4416 0.4578 1.2646 1.8249 0.3072 1.0444 1.0722 0.5811 0.1152 3.9219 0.7214 0.4935 5.4519 1.0479 1.1498 0.4355 1.6019 0.4885 0.5897 0.6417 2.0840 3.0855 1.5310 2.8136 2.4557 0.3791 0.4975 1.5962 3.3081 0.5300 0.7989 0.7749 2.8610 0.7878 1.2624 1.5615 0.5065 0.1152 0.4211 0.6157 0.3475 2.3486 0.6378 1.4630 0.4716 0.6969 2.3609 0.8628 1.1125 0.4302 0.5251 0.3257 1.3037 1.2979 1.1240 1.1449 1.3236 0.4720 0.9181 1.0582 0.5836 0.7147 0.5051 1.3163 0.2714 0.9899 1.1442 1.5442 1.0155 salicyluric glucuronide* 1.7734 0.5493 0.5493 0.5493 2.9419 1.2688 0.5493 0.5493 0.5493 0.7615 0.5493 0.5493 1.0113 0.5493 0.5493 0.5493 0.5493 0.5493 1.4231 0.8909 0.5493 0.9785 1.6420 0.5493 1.0692 0.5493 0.8968 1.2648 0.8781 1.6636 1.1215 0.5493 0.5493 0.5680 0.9842 0.5780 0.5493 0.5493 1.5811 0.5627 1.7039 1.5108 0.5493 0.5493 0.5493 0.7772 0.5493 0.8059 0.5493 0.7490 0.5493 0.5493 1.6948 0.5493 0.5493 0.5493 0.5493 0.5493 0.5493 0.5493 0.5493 0.5493 2.2488 1.2386 0.5493 0.5493 0.5493 0.5493 0.5493 0.5493 0.5493 0.8689 0.5493 0.9887 0.7908 S-allylcysteine 1.0008 1.0986 0.9992 0.6459 0.2375 2.7841 1.3804 0.2252 0.0515 0.1324 0.3951 0.1627 0.1620 1.0433 0.3667 0.0722 0.0515 0.2842 1.5589 0.7985 0.7169 0.0749 0.5263 0.6871 2.2488 0.5671 3.2017 2.0449 0.0661 1.1247 0.6041 0.7646 3.2815 2.7119 1.7821 0.6703 2.6030 1.0032 1.3624 1.9683 2.3010 14.9838 0.4736 0.0515 5.1848 1.3373 0.6903 1.3064 15.8057 0.8842 0.2783 0.5562 0.0515 0.3194 1.6474 1.5151 5.2534 0.3149 3.4007 0.0515 0.1363 1.0912 2.5524 1.2017 0.6082 1.5692 7.2068 3.1434 0.1585 1.3248 0.9585 2.7430 0.0515 0.0997 0.5043 sarcosine 1.8187 2.2773 2.5813 0.7684 0.9015 0.9676 1.1017 0.8117 0.8475 0.9549 0.9988 1.0342 1.0538 1.0000 0.9513 1.9235 0.9968 1.0789 1.1953 1.0140 0.8721 0.7282 1.0476 1.2478 1.2904 0.7671 1.0172 1.6161 1.2605 0.8367 0.9442 1.3314 0.8670 0.8434 0.9383 1.2896 1.0302 1.2872 0.8555 1.3743 1.4706 0.9553 1.0513 0.9008 0.8406 0.9709 0.7433 1.0247 0.7619 1.0113 1.2645 1.0442 1.0589 0.8233 0.7896 0.8006 1.1027 1.0408 0.9588 0.6947 0.7799 0.8392 0.6575 0.9434 0.7087 1.0389 1.0878 0.7783 1.2130 0.7400 1.1018 1.2178 0.9721 1.4129 1.7101 sebacate (decanedioate) 1.0559 1.2937 1.5593 0.8936 0.4678 0.4678 0.4678 0.7006 1.5960 0.8973 0.5895 1.0013 0.7635 0.9275 0.8719 1.1204 0.9425 1.6076 0.8305 0.9987 1.2561 0.8003 0.8369 1.4140 0.4678 0.9453 1.9184 0.7891 1.6235 1.0375 1.4044 0.9846 0.4678 0.6250 2.3187 0.5241 2.5227 0.4678 1.2757 1.9808 0.7064 0.4678 1.8337 0.4678 1.3897 12.6651 0.6974 1.1788 0.9599 0.4678 1.1585 0.7812 1.1752 1.3192 0.7553 1.8322 0.6696 0.7791 1.2566 8.1439 3.3469 0.6730 0.5820 0.4703 0.7341 0.7980 0.8428 1.3413 1.2430 0.9959 0.5819 0.4678 1.7044 3.0459 1.2438 serine 0.9745 1.0647 1.2006 1.0273 1.1747 0.8430 0.8545 1.2183 1.0952 0.8667 0.9825 1.1339 0.7667 1.1743 0.8494 1.2202 0.8898 1.2005 0.8643 1.0202 0.9530 0.9509 0.9046 0.7206 1.0000 0.8609 1.4858 0.9375 0.8340 1.1618 1.4307 1.0373 1.0834 1.3134 0.8518 0.9188 1.0399 0.9373 1.1552 1.2672 0.9096 1.0426 0.9494 0.8783 0.7730 1.1004 0.8581 1.2453 1.1907 0.9422 0.9272 1.1285 0.9068 0.9290 1.0132 1.0970 0.9832 1.1314 1.0916 0.9978 1.2887 1.2446 0.7889 0.9837 0.7319 0.8628 1.3868 0.9555 0.9684 1.3480 1.0419 1.2646 0.9711 1.2429 1.1766 serotonin 0.5062 0.6417 0.7226 1.2306 0.7255 1.7615 1.4528 1.1759 0.9171 1.7889 1.5605 1.1313 2.3282 1.1945 0.1642 1.4770 1.9889 0.7133 0.1145 1.3094 0.1317 1.7136 0.8497 1.9649 1.2869 1.0725 1.1119 0.1972 0.6683 2.8644 2.8551 1.7408 0.3124 1.1808 0.9287 0.5050 1.8589 2.9935 2.2601 1.8149 1.5065 1.8201 0.7239 1.7904 2.4669 1.2260 0.3991 0.8001 1.0858 0.0808 0.5259 0.9957 0.6864 2.6111 0.7808 0.7421 0.8118 0.3068 0.4095 2.1230 0.6942 0.9580 0.8820 0.8331 1.0902 0.7986 2.2364 0.5593 1.0000 0.5501 3.3516 0.8372 0.4208 1.5633 0.0803 S-methylcysteine 0.7003 1.0849 0.6821 0.4065 1.4715 2.3897 0.9669 1.0649 0.7530 0.8406 0.5946 2.2053 0.5123 3.1027 0.8832 0.9208 0.8158 0.8551 1.2824 1.2231 0.8313 2.6343 1.1391 0.6067 0.6095 0.8670 2.7967 1.5071 0.3287 1.3885 2.3450 0.7635 0.8428 1.4721 0.8431 1.2377 3.5634 0.9288 3.3713 0.6914 1.5904 0.8638 1.0000 0.5791 0.7069 1.2222 0.6358 0.6558 1.8092 1.0100 1.6378 0.7624 1.7513 0.8924 2.2562 4.7246 1.1361 0.8613 0.8331 0.9250 2.3023 1.4466 1.6113 0.6505 0.7893 1.0261 0.9718 0.9118 0.5955 2.5552 2.9961 1.9379 1.2175 2.9306 2.7331 S-methylcysteine sulfoxide 0.7831 1.0000 0.6861 0.3067 1.3397 1.3895 1.0454 0.9523 0.9012 0.8556 0.3933 3.7059 0.5639 7.1986 0.7167 0.6251 0.9314 0.9169 0.9996 1.0793 0.4852 1.2589 0.8747 0.4161 0.3587 0.5236 4.7297 1.7201 0.2093 1.1608 1.2469 0.6558 0.5230 1.1116 0.7778 1.5963 4.0488 1.2600 4.9573 0.3899 2.5825 1.3444 1.5556 0.4952 0.7214 1.4468 0.2789 0.3691 1.8955 1.5295 2.6552 0.7429 5.1252 0.7176 3.7890 8.2751 1.7364 0.8020 0.6038 0.5954 1.8991 2.0811 2.7703 0.4795 0.5413 1.7035 0.5465 0.8689 0.4086 5.3665 6.3559 5.0058 1.5886 6.5760 1.9882 S-methylmethionine 0.0914 0.2500 0.7334 0.4740 5.8242 0.6331 2.4393 0.4699 0.4878 1.5406 0.0792 4.0032 3.0986 12.9583 0.7432 0.2206 0.4103 0.5423 1.0629 0.6871 0.3882 0.1679 0.2724 0.4944 0.4180 0.2813 8.7512 1.4760 0.0792 1.0000 0.0792 0.0792 1.0607 3.5699 1.1231 0.3484 1.0674 0.6705 3.2387 0.6711 0.4097 0.0923 0.5418 0.0792 0.4335 2.7220 0.0792 2.0119 4.4552 0.9837 0.7169 1.0939 9.8312 0.3608 0.6768 7.6356 4.1459 1.1610 2.4219 0.4441 2.2640 8.8565 2.0856 0.4983 0.0792 0.4189 1.1041 0.0792 0.0792 1.2126 6.2003 4.1075 6.0088 3.8042 1.3654 spermidine 0.7318 1.0470 1.1144 1.5579 1.9212 2.1729 0.4445 0.4637 0.7769 0.3179 1.2340 1.0740 0.8826 1.1830 0.8368 1.1794 1.1800 0.3577 1.8273 0.5712 0.3179 0.5053 1.7353 1.6225 1.3823 0.9235 3.3268 5.8007 0.6136 3.4334 1.2614 0.8501 0.5042 0.7869 0.6064 0.5163 1.4097 1.9910 1.1034 1.6330 1.8554 1.0819 0.3179 0.9530 0.7058 0.3951 0.8772 1.1972 0.5094 0.5405 3.4020 0.3179 0.5368 1.6080 0.3179 0.5883 0.8965 2.0149 0.4691 0.3747 0.4357 2.7534 0.5630 0.5942 0.3179 0.8586 1.5670 0.6902 1.2554 0.9450 1.2764 1.3479 0.7751 1.3529 2.2997 sphinganine 0.5095 0.9520 0.6404 1.3649 0.7047 1.4581 1.1312 0.5386 1.2002 1.3797 1.2646 0.9599 1.8251 1.1090 0.6888 0.9302 1.1987 0.6120 0.4518 1.3342 0.6359 1.6455 1.4019 0.9860 0.7395 1.3843 1.2096 0.9937 0.9863 2.7385 2.4807 1.7916 0.9314 1.2865 1.6948 0.5337 1.3333 1.5417 2.6262 1.6386 1.1787 1.8128 1.5270 2.5432 2.1078 1.3521 0.8548 1.0000 1.5085 0.6492 0.6580 0.6773 0.6279 2.1911 0.7753 0.7107 0.5260 0.5337 0.7961 0.9825 0.8379 1.1786 0.5991 0.7559 0.9517 0.7177 1.2209 0.8626 0.7931 0.5952 1.7557 0.9252 1.1234 2.0540 1.2592 sphinganine-1-phosphate 0.5567 1.2021 0.9666 1.4273 1.0402 1.1071 1.0156 0.7209 1.2127 0.9751 1.2288 1.0062 1.1261 0.9599 0.6152 1.0103 1.3657 0.8573 0.7137 1.0000 1.0075 0.8371 1.1976 0.9630 0.7228 0.7079 0.8894 1.5647 0.8520 1.8772 1.4559 1.5254 1.0643 1.3569 0.9923 1.1080 1.2433 1.1365 1.2113 0.8756 0.8642 1.2101 1.0616 1.5648 1.0906 0.7932 0.7977 0.7107 0.9218 0.8501 0.9903 0.9334 0.9368 1.1348 0.7868 1.2235 0.6310 0.7630 0.8956 0.9492 1.0023 1.2622 0.7136 0.7012 1.1314 1.0474 1.2273 0.9793 0.7155 0.8322 1.1342 0.8008 0.8419 1.3479 1.1051 stearoyl sphingomyelin (d18:1/18:0) 0.8944 1.1076 0.7890 1.0315 1.4170 0.9945 0.8228 1.1837 1.0472 1.3485 0.9994 0.8340 1.4127 1.0071 0.9935 0.7329 1.2639 0.6955 0.9324 1.3426 1.0233 0.8168 1.0099 1.2932 0.9611 0.9380 0.8834 1.3712 1.3106 1.0204 0.9806 1.7606 0.9908 0.9276 1.0560 1.4879 1.0272 0.8271 0.8114 1.5343 1.0745 0.7947 0.7199 1.3802 1.3312 0.6988 1.3622 1.3452 0.9027 0.8262 0.9544 1.6452 0.4315 1.0682 0.9667 1.2592 0.9513 1.3618 1.0205 1.0334 0.8753 0.5475 0.7600 1.2573 0.7706 0.9580 1.1801 0.9877 1.0000 1.0547 1.1677 0.9665 1.0473 0.8910 0.8219 sphingomyelin (d17:2/16:0, d18:2/15:0)* 0.8357 0.9512 0.8559 1.3519 1.2393 0.8850 0.5526 1.4126 1.1609 1.4001 1.0677 0.6178 1.5861 1.1492 0.7864 0.7072 1.0958 0.5784 0.7494 1.1893 0.6624 1.5584 0.9696 1.6897 1.0000 0.8806 1.0368 1.3548 1.2542 0.7038 1.4657 0.9509 0.8595 0.4851 1.2307 1.3863 1.3538 0.8508 1.0317 1.3057 1.1526 0.8754 0.7642 0.6346 0.6605 0.7870 0.9055 0.9389 0.9585 0.7954 0.9887 1.2773 0.5890 1.5343 0.8468 1.0730 1.0620 1.1388 0.8891 0.4522 0.9054 0.6700 1.0739 1.2707 1.2207 1.2514 1.0044 0.8027 1.0185 0.7984 1.1631 1.4187 0.9676 1.3786 1.2371 sphingomyelin (d18:0/18:0, d19:0/17:0)* 1.3581 1.0967 0.5166 1.2872 1.0599 1.2793 0.5769 0.8214 1.2127 2.0726 2.0408 0.4441 1.2904 0.6128 1.0439 0.5057 1.7029 0.3626 0.7844 1.7634 0.8402 0.4603 1.2318 2.5144 1.0775 0.7939 0.4928 1.2534 2.3614 1.0000 0.8643 4.4801 1.2892 0.6245 0.9465 1.1015 1.2808 0.5445 0.5790 2.1868 0.8516 0.7695 0.4908 1.1365 0.9107 0.8819 2.8644 0.6743 0.4846 1.0028 0.8522 2.3834 0.1419 1.6640 0.8919 1.3543 0.9844 1.7651 0.5114 1.2930 2.4084 0.4296 0.8817 3.3484 1.2328 0.8233 1.0276 0.8083 0.9651 0.9976 1.1453 0.6862 1.3365 1.0148 0.6169 sphingomyelin (d18:0/20:0, d16:0/22:0)* 1.2596 1.1063 0.4741 1.4989 1.0185 1.7391 0.6975 0.9371 1.4401 2.0824 2.1124 0.7148 1.0971 0.6283 0.9296 0.5630 1.5812 0.6249 0.6036 1.4270 0.7298 0.5249 1.0147 2.7289 1.5055 0.8228 0.5116 1.1019 2.3515 0.9669 1.0000 2.8300 1.1468 0.5048 0.8275 0.9253 1.1950 0.8621 0.7321 1.6934 0.7704 1.2057 0.6995 0.8329 0.6434 1.1007 1.6213 0.4921 0.6121 1.1421 0.9820 2.3305 0.4834 1.4245 0.7018 1.0143 0.9064 1.1662 0.5802 1.2136 1.2277 0.7001 1.0075 2.6370 1.3838 1.1146 0.9259 0.5749 1.0382 0.7751 0.8898 0.9107 1.3775 1.0777 0.6215 sphingomyelin (d18:1/14:0, d16:1/16:0)* 0.8553 1.1138 0.8355 1.4681 1.0770 1.0429 0.9444 1.0936 1.1786 1.2257 1.1103 0.7868 1.2018 0.9333 0.9881 0.7341 1.4326 0.7062 1.0052 0.8084 1.0807 0.9731 1.0198 1.4774 1.1316 0.9439 0.9990 1.0691 1.2487 0.9076 0.9760 1.0667 0.8717 0.5315 1.3668 1.0726 1.2346 0.7965 1.0086 1.2038 1.1886 0.9092 0.9843 0.9401 0.7209 0.9331 0.9071 0.8764 1.0633 0.7406 0.8747 1.4514 1.0137 1.0527 1.0629 0.9651 1.3508 0.9031 0.9474 0.5602 0.9954 0.8017 1.1973 1.0934 1.0512 1.0674 0.8212 0.9681 1.0341 0.9632 1.0000 0.9973 1.0328 1.1903 0.8530 sphingomyelin (d18:1/15:0, d16:1/17:0)* 0.7652 1.0861 1.0000 1.0524 0.9144 1.0149 0.8878 1.4139 1.0652 1.1620 1.0210 0.9168 1.2791 1.0421 0.9609 1.0181 1.2276 0.7351 0.9073 1.0699 1.1839 1.1026 1.0395 1.5651 0.8435 0.8924 1.1044 1.2214 1.1913 1.0721 1.1157 0.8758 0.9094 0.6222 1.1392 1.2643 0.9917 0.8226 0.9053 1.2142 1.3880 0.9300 1.0095 0.7884 0.8682 0.7855 0.9710 0.9960 1.0246 0.5966 0.7382 1.3661 0.9161 0.9829 1.0913 0.9957 1.2182 1.2759 0.9657 0.6144 0.9508 0.8827 1.1535 1.1443 0.8826 0.9506 1.2258 0.9430 1.1313 0.9206 0.9888 1.2109 0.9164 1.2613 0.8374 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 0.8593 1.1600 0.8991 0.9919 1.2880 0.9587 0.8774 1.3592 1.1123 1.1482 1.0277 0.8772 1.5547 1.2544 0.8693 0.9415 1.1682 0.6887 0.8362 1.4118 1.0000 0.9376 0.9318 1.4588 0.7891 0.8176 1.1359 1.3499 1.2292 1.1185 1.2069 1.0624 0.9833 0.8095 0.9906 1.5515 1.0257 0.7585 0.8696 1.4267 1.4339 0.8894 0.9006 0.9937 1.0633 0.6879 1.3629 1.3094 0.9733 0.6902 0.8992 1.4957 0.5837 1.0364 1.1032 1.1507 1.0052 1.4027 0.9423 0.8280 0.8812 0.7102 1.0168 1.3405 0.7957 0.9174 1.2257 0.9746 1.1691 1.0969 1.0535 1.1934 0.8728 0.9933 0.7543 sphingomyelin (d18:1/18:1, d18:2/18:0) 1.0236 1.0000 0.9197 0.7611 1.1887 0.9936 0.6260 1.2009 0.9111 1.0760 1.0694 0.7392 1.6308 1.1960 0.7811 0.7913 1.0093 0.7340 0.8570 1.3566 0.8554 1.1565 0.9852 1.1883 1.0802 0.9316 0.9181 1.3064 1.5469 1.1204 1.1594 1.5669 1.1229 1.1890 0.8605 1.4661 0.9980 0.7443 0.7910 1.3610 0.9978 0.8506 0.6186 1.2119 1.2894 0.7363 1.6653 1.3762 0.9616 0.9763 0.9044 1.2358 0.5013 1.3680 0.9475 1.1393 0.7914 1.6476 0.9557 0.9039 1.2257 0.5926 0.9384 1.3769 0.9269 0.8421 1.0003 1.2341 0.9069 1.2658 1.0487 1.0127 1.0079 0.9277 0.9653 sphingomyelin (d18:1/19:0, d19:1/18:0)* 1.0000 1.2028 0.7317 1.3459 1.4606 1.0451 0.6632 1.4168 1.1336 1.1985 1.1010 0.6971 1.6725 1.0783 0.9287 0.6916 1.2463 0.5257 0.6866 1.1513 0.7461 0.9547 0.7462 1.9634 0.6485 0.6822 0.8912 1.3619 1.3604 0.9428 1.1480 1.2224 0.7815 0.5848 1.2339 1.3787 1.0498 0.6705 0.9101 1.6035 1.1499 0.8727 0.5521 0.9087 0.7449 0.5890 1.5806 1.3382 0.8201 0.7111 0.9789 1.7349 0.4051 1.4673 1.1119 1.0612 0.8805 1.4773 0.8041 0.9048 0.7521 0.4571 1.1939 1.5668 1.0310 0.8464 1.2200 0.9467 0.8879 1.1461 1.0475 1.0571 0.8562 1.0201 0.7758 sphingomyelin (d18:1/20:0, d16:1/22:0)* 0.9677 1.1888 0.7834 1.2902 1.4307 1.1256 0.9628 1.1214 1.1325 1.3305 0.9414 1.1056 1.0703 0.8755 1.2883 0.7411 1.3349 0.9763 0.8831 0.9594 0.9477 0.8656 0.8801 1.3817 1.0786 0.8703 0.9051 1.3025 1.2695 0.9319 1.0656 1.3095 0.8707 0.6794 1.1309 1.1695 1.0000 0.9219 1.0831 1.3540 0.9028 0.9900 0.8829 0.9436 0.9327 0.8597 1.0233 1.0355 1.0138 0.7884 1.1366 1.3323 0.9793 1.0413 0.8902 0.9611 1.0028 1.0930 1.1130 1.0264 0.7206 0.7925 0.9451 1.0932 1.0565 1.0489 1.0547 0.7450 0.9282 0.9743 0.9760 1.0512 1.0788 0.9245 0.8538 sphingomyelin (d18:1/20:1, d18:2/20:0)* 0.9543 1.0802 0.7634 0.8824 1.4169 0.8967 0.7451 1.3290 1.0020 1.0997 0.8202 0.9150 1.4271 1.1055 0.8432 0.6768 1.0893 1.1288 0.7863 1.3435 0.8617 1.1352 0.8294 1.0000 1.0346 1.0283 0.9000 1.3323 1.3481 1.1419 1.1446 1.2426 0.8633 1.0384 0.8619 1.4730 1.0500 0.8864 1.0455 1.3041 0.8868 0.7795 0.5842 1.2538 1.2346 0.8287 1.2663 1.3424 1.0289 0.7858 0.9395 1.2810 0.4816 0.8858 0.7663 1.2250 0.7692 1.3619 1.1892 1.2358 0.8362 0.6600 0.7600 0.9608 0.8680 0.9574 1.2379 0.9804 0.9478 1.0510 1.2186 1.1126 0.8524 0.8905 0.9843 sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* 1.7294 1.6508 1.0000 1.3921 1.1282 1.2943 0.6623 1.4361 1.2475 1.0547 1.3936 0.6657 1.8632 0.7964 0.6166 0.6323 0.9994 0.7837 0.8231 1.7550 0.9743 1.0491 0.6289 1.0348 1.0247 0.8910 0.5079 1.0093 1.0507 0.8790 0.8038 1.1070 1.0970 1.0662 0.6302 1.6263 1.3731 0.3989 0.6239 0.9454 0.6876 0.6993 0.6660 1.2662 0.8414 0.7420 2.4574 1.1075 0.8779 0.6938 0.5828 1.2355 0.5879 1.1514 1.0096 1.4490 0.5249 1.5581 0.8440 1.0881 1.3634 0.3695 1.5381 1.0463 1.2944 0.7119 0.8288 1.5857 0.6684 1.3600 0.8427 0.7381 0.4674 1.5993 0.9044 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 0.8427 1.0766 0.8420 1.6417 1.3865 1.0604 0.8181 1.3528 1.2129 1.4012 1.0550 0.8274 1.4744 0.8473 0.9857 0.7148 1.4394 0.7388 0.7376 0.9247 0.9562 0.9811 0.8930 2.0105 0.9463 0.6305 0.9456 1.4022 1.4634 0.9637 1.3193 1.1462 0.8337 0.4191 1.4065 1.2046 1.0853 0.9644 1.0423 1.5950 1.0978 1.0041 0.9201 0.7319 0.7031 0.7892 1.1341 0.9393 1.0000 0.8550 1.1428 1.5643 0.7745 1.2775 0.9080 0.9365 1.3263 1.0470 1.0406 0.7096 0.6075 0.7145 1.2470 1.3277 1.1355 1.1145 1.1301 0.7076 1.0862 0.9733 0.9541 1.2190 0.8271 1.1950 0.7790 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 0.9252 0.9837 0.8259 1.0843 1.2655 0.9353 0.8654 1.0545 1.1319 1.2198 0.8650 1.0065 1.0704 0.8791 1.0541 0.7622 1.1388 1.3183 0.8389 1.0308 0.9482 0.9621 0.9566 1.0290 1.2260 0.9597 0.8911 1.2659 1.1888 1.0541 1.2635 1.2283 0.9367 0.8217 1.0286 1.1156 1.0413 1.0037 1.1414 1.2672 0.9131 0.9042 0.9473 1.0000 1.0496 0.9199 1.0430 1.0386 1.0362 0.8087 0.9791 1.1354 0.7468 0.9221 0.8637 1.0149 0.9073 1.0832 1.0745 0.9477 0.8445 0.9226 0.9205 0.9556 1.0225 1.1250 1.0894 0.8372 1.0866 0.8975 0.9996 1.1388 0.8743 0.9896 0.8904 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 1.2468 1.1964 0.8766 1.3235 0.9541 1.0700 0.7569 1.3654 1.3083 1.1754 1.2497 0.6386 1.6067 0.8534 0.6113 0.7797 1.0855 0.6594 0.7306 1.6468 1.0404 1.1632 0.7715 1.1051 0.8892 1.0165 0.7288 0.9735 1.2220 0.9557 1.0028 1.1005 1.0957 0.8079 0.8512 1.4813 1.1808 0.7338 0.6671 1.0246 0.8547 0.7126 0.8209 1.1660 0.8814 0.6465 1.5985 1.0624 0.8993 0.8281 0.5519 1.4273 0.4456 1.0000 1.0830 1.2224 0.6885 1.1855 0.8459 0.8450 1.1509 0.4713 1.1676 1.0131 1.1876 0.7478 1.0848 1.3954 0.8956 1.0003 0.9087 0.7489 0.5074 1.4256 0.7172 sphingomyelin (d18:1/24:1, d18:2/24:0)* 1.0050 0.9643 1.0351 1.0710 1.0877 1.0263 0.7780 1.0835 0.9746 1.1074 0.9279 0.8011 1.0123 0.9789 1.0137 0.8911 1.1084 1.0553 0.9246 1.1477 0.8624 0.9696 0.9182 1.1064 0.9301 0.8010 0.9277 1.1487 1.1309 1.0887 1.1517 1.3573 0.9223 0.8855 0.9652 1.0433 1.1656 0.7965 0.8961 1.1364 1.0146 1.0065 0.8548 1.0096 0.8501 0.9290 1.1567 1.0000 0.9255 0.9897 0.9882 1.0929 0.6491 0.9782 0.9425 0.9830 0.9036 1.1743 0.8380 0.9694 1.0796 0.8859 0.9390 1.0891 1.0428 1.0197 1.1202 0.8709 1.0715 1.0455 1.1299 1.0211 0.6181 1.1222 0.9459 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* 1.1805 0.8182 0.9078 1.1983 1.2891 1.5535 1.2533 1.3255 1.2435 1.5638 1.3281 1.3379 1.2847 1.0000 1.4816 0.9592 1.2623 0.3984 0.8402 1.0165 0.9176 0.6799 0.7732 2.3369 0.8766 0.9478 0.4739 1.5136 1.5996 0.8228 1.1720 1.1999 0.8161 0.4706 0.6779 1.1181 0.8950 1.1016 0.8422 1.4268 1.5164 1.4088 1.5431 0.4884 0.7017 0.7486 1.0884 0.8255 1.1078 0.7789 0.6416 1.7318 0.3492 0.8186 1.1547 0.8035 0.6842 1.1269 0.6699 0.6175 0.7123 0.5363 1.3469 1.6898 1.8414 1.0271 0.9973 0.7599 1.4145 0.9618 0.7407 1.1064 1.0690 0.8567 0.6231 sphingomyelin (d18:2/14:0, d18:1/14:1)* 1.0370 0.8552 0.8789 1.1120 0.9007 0.9215 0.4962 1.6000 1.0626 1.3271 1.0442 0.4827 1.6070 0.8784 0.6323 0.4893 1.4779 0.7822 0.6905 1.2549 0.7002 1.9490 0.8832 1.3621 1.4474 1.2413 0.8236 1.1767 1.5535 1.0000 1.4709 0.9423 0.7533 0.5906 1.3603 1.1959 1.4538 0.7801 0.9217 1.0128 0.9305 0.8915 0.7195 0.9353 0.5112 1.0309 1.1822 1.0534 0.9546 1.0336 1.1193 1.5796 0.2980 1.4071 0.6438 1.1303 0.7201 1.0136 0.9276 0.4380 1.2915 0.7768 0.9340 1.2003 1.3138 1.3699 0.6943 0.9329 0.9344 0.8586 1.0059 1.0865 0.8331 1.6272 1.2263 sphingomyelin (d18:2/16:0, d18:1/16:1)* 0.8923 0.9536 0.8776 0.9228 1.0103 0.9226 0.8056 1.0942 0.9524 1.0849 0.9506 0.8503 1.2333 1.1214 0.8855 0.8174 1.0092 1.2201 0.8867 0.9494 0.9241 1.1734 1.1391 0.9139 1.1655 1.0424 1.0000 1.1930 1.4693 1.2697 1.1490 1.4023 0.9714 1.0571 0.8591 1.1345 1.1027 0.7469 1.0454 1.0973 0.9645 0.8930 0.9010 1.0478 1.0804 0.9319 1.2275 0.9636 1.0181 0.8735 0.8265 0.9577 0.7421 1.0096 0.8819 1.0684 0.8439 1.2317 0.9486 0.9764 1.2302 0.9132 0.9074 1.0156 0.8751 0.9932 1.0042 1.0605 1.0031 0.9517 1.2436 1.1030 0.9593 1.0350 1.0345 sphingomyelin (d18:2/18:1)* 1.0147 0.9607 0.7816 0.8811 1.2243 0.9156 0.8855 1.3980 1.0600 1.0103 1.1265 0.8757 1.5179 1.1077 0.8181 0.9502 0.8689 0.9848 0.7754 1.2956 1.0241 1.0519 0.9793 0.8991 1.7131 1.2061 0.9684 1.4062 1.9728 1.2431 0.8169 1.2666 0.9441 0.9374 0.7941 1.5350 1.2542 0.7555 0.8504 1.1644 0.9162 0.8043 0.7290 1.0301 1.3347 0.9619 1.7845 1.0607 0.8727 0.5207 0.7832 1.2881 0.7162 1.0157 0.7856 1.5952 0.8068 1.5693 1.0000 1.0334 1.1970 0.7100 0.8879 1.0464 0.7222 1.0118 1.2735 1.3521 1.0951 0.9533 1.1545 0.8149 0.7622 1.0181 0.9080 sphingomyelin (d18:2/21:0, d16:2/23:0)* 0.8530 1.0827 0.7580 1.2698 1.4350 0.8281 0.6073 1.4320 1.1708 1.0937 0.9591 0.6540 2.0014 1.0764 0.7672 0.6650 0.9731 0.8516 0.6115 1.2698 0.6988 1.3948 0.8111 1.5865 0.8057 0.8552 0.9686 1.2967 1.4417 1.1710 1.4796 1.2138 0.8127 0.7253 1.2352 1.4579 1.2297 0.7852 1.1527 1.3906 1.0000 0.8567 0.5858 1.1845 0.9016 0.7176 1.8951 1.2877 0.9069 0.8712 0.9283 1.4285 0.3690 1.6903 0.8955 1.3734 0.7386 1.4511 0.9230 1.0970 0.7451 0.4941 1.2160 1.4022 1.0311 0.9498 1.2345 0.9661 0.9155 1.0531 1.1900 1.3326 0.6482 1.1204 0.9093 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 0.8649 0.9783 0.9439 1.2204 1.2275 0.8781 0.6311 1.2982 1.1065 1.0804 0.8092 0.6488 1.4205 0.9607 0.7356 0.7237 1.1748 0.8291 0.7008 1.1218 0.8807 1.0767 0.8748 1.2514 0.8536 0.6798 0.9506 1.3480 1.1731 1.1154 1.4042 1.2607 0.7980 0.6758 1.1316 1.0968 1.2335 0.9055 1.0259 1.4911 1.0676 0.8333 0.7491 0.8699 0.8318 0.7535 1.2600 1.0275 0.9619 0.8473 1.0026 1.2813 0.4009 1.0575 0.8833 1.0771 1.0000 1.2340 0.9532 0.8234 0.8949 0.7022 1.0627 1.0757 0.9755 1.0926 1.3847 0.8203 1.2083 1.0484 1.1124 1.1722 0.5519 1.2737 0.8436 sphingomyelin (d18:2/23:1)* 1.0361 1.1685 0.9218 1.3354 1.1608 0.8876 0.6016 1.2794 1.3744 1.0956 1.0045 0.5990 1.5279 0.8314 0.6580 0.7858 1.0750 0.4647 0.6408 1.3809 0.9377 1.1765 0.7695 1.1700 0.6314 0.8628 0.7210 1.1321 1.0601 0.8560 1.1255 1.2335 0.8960 0.7393 1.0189 1.2879 1.2508 0.7442 0.6977 1.3604 0.9615 0.7166 0.6258 1.1176 0.8214 0.5869 1.6635 0.9828 0.8818 0.7502 0.6998 1.4307 0.2134 1.1238 1.0766 1.1797 0.7495 1.3416 0.7733 0.8687 1.0696 0.4102 1.1686 1.0805 1.0417 0.8519 1.3406 1.2153 1.0526 1.0000 1.0831 0.8750 0.4463 1.4000 0.7442 sphingomyelin (d18:2/24:1, d18:1/24:2)* 1.0965 1.0000 0.9675 1.0092 1.0781 0.9640 0.7410 1.0358 1.1194 1.0997 0.8057 0.7847 1.0874 0.9420 0.8433 0.8389 1.0701 0.9545 0.8967 1.2386 0.9932 1.0539 0.9528 0.7837 0.8923 1.0264 0.7590 1.1623 0.9276 1.0888 1.0857 1.4667 0.9300 1.0388 0.8895 1.0387 1.2505 0.8456 0.9255 1.1584 0.8816 0.8037 0.7583 1.1829 1.0420 0.8658 1.3141 1.0503 1.0146 0.9022 0.7999 1.1414 0.4631 0.8263 0.9583 1.1785 0.7672 1.2346 0.9111 1.1654 1.1916 0.7648 0.9069 0.9081 1.0044 1.0490 1.4113 1.0247 1.2507 1.0351 1.1914 0.9236 0.5437 1.1647 0.9193 sphingomyelin (d18:2/24:2)* 1.3079 1.0711 1.0940 1.0000 0.9321 0.9951 0.6858 1.4813 1.1692 1.1565 0.9656 0.7002 1.7574 0.9532 0.5597 0.8608 0.9836 1.0324 0.7764 1.9243 1.0828 1.4027 0.9260 0.7938 0.7715 1.1350 0.7973 1.0885 1.2587 1.2934 1.3132 1.3433 1.2574 1.3823 0.6991 1.6841 1.2084 0.7602 0.7208 0.9648 0.8130 0.8027 0.7689 1.3241 1.1455 0.6500 1.9179 1.3385 0.9607 1.0399 0.6002 1.2420 0.4354 0.8885 0.9275 1.3153 0.5501 1.3525 1.0299 1.1060 1.3802 0.5962 0.9469 0.9411 1.1252 0.8363 1.1177 1.4724 0.9534 0.9550 1.1529 0.8161 0.3910 1.4499 0.8697 sphingosine 0.3747 0.7322 0.4893 1.2953 0.6779 1.5019 1.2947 0.3794 1.1083 1.0779 1.0740 1.1444 1.8986 1.0511 0.5995 0.9968 1.1072 0.5511 0.2724 1.0781 0.7677 1.9128 1.7182 0.8894 0.4683 1.2766 0.8425 0.8481 0.7127 1.9315 1.6465 1.3810 1.0000 1.1896 1.7036 0.5437 1.2668 1.6588 2.1918 1.1894 1.2523 1.4837 1.2525 2.1818 2.2984 1.1881 0.8232 1.1230 1.4794 0.5143 0.5488 0.6489 0.5956 2.1361 0.8243 0.5653 0.5076 0.4228 0.6850 0.8475 0.7199 1.0562 0.5297 0.8596 0.9231 0.8127 1.1997 0.7062 0.8349 0.5627 1.4423 0.8104 0.9337 1.8212 1.1412 sphingosine 1-phosphate 0.5813 0.9784 0.9240 1.3512 1.1139 1.1018 1.1054 0.6989 1.0256 0.9589 0.9805 1.0000 1.0859 1.0180 0.6882 0.9652 1.3096 0.8459 0.8307 0.9704 1.3339 0.8597 1.4086 0.8934 0.7262 0.8381 0.7995 1.5169 0.9606 1.5328 1.2500 1.4667 1.1129 1.2456 1.1806 1.1638 1.3274 1.2042 1.1007 0.8420 0.8872 1.1390 0.8717 1.1638 1.0557 0.9615 1.0091 0.9997 0.9261 0.9202 1.1095 1.0102 0.8725 1.0162 0.8559 1.0091 0.8112 0.7527 1.0178 0.8387 0.9988 1.0679 0.6331 0.7815 0.9249 1.2217 1.2589 1.0271 0.8310 0.8004 1.0229 0.7374 0.8681 1.2209 1.0179 stachydrine 0.5412 2.2026 0.2276 10.7272 3.2297 2.3171 2.5049 0.1242 1.7688 2.8981 0.2583 4.9789 12.7022 1.1676 6.7082 2.5601 4.0153 4.6113 7.1789 5.2588 0.3500 0.1574 0.2700 2.5762 0.4528 3.3912 2.4958 1.0419 0.1592 0.6118 0.2446 0.1518 0.1022 0.0491 4.8745 0.8137 0.2038 3.2637 14.6126 0.3605 0.9126 5.9131 1.0875 4.7906 0.7075 0.7225 0.0394 0.4186 1.4813 3.8662 1.2247 0.6134 0.2091 1.1502 0.4148 2.3528 0.1556 0.2385 0.1108 2.9067 2.4912 0.2836 0.4855 1.0000 1.9169 0.4026 0.3765 0.1083 1.8384 0.7692 0.2601 0.6188 7.5469 1.9022 0.1289 stearate (18:0) 1.0623 1.0566 1.0213 0.9926 1.0000 0.9853 0.6672 1.1630 1.2429 1.0146 1.1475 0.8368 1.4161 1.2848 0.9212 1.0911 0.9829 0.8150 0.7331 0.9947 1.5788 0.7154 1.3445 0.9326 1.0244 0.8061 1.0736 0.9257 1.0453 1.1560 1.3134 1.0617 0.9922 0.9468 1.4037 0.8311 1.1464 0.8920 1.0017 1.3978 0.9200 0.8328 1.4534 1.2190 1.2399 1.0674 1.0153 0.7687 1.0480 0.9263 0.9610 0.9364 0.6902 1.5117 1.0164 0.8423 0.9153 1.0099 0.5899 1.1624 1.3927 0.6669 0.7447 1.0285 0.4953 0.6399 0.7806 0.9776 0.9706 1.1246 0.7386 0.7276 1.3234 1.0353 0.7908 stearidonate (18:4n3) 0.9041 0.8345 0.7740 1.3994 1.1119 0.7591 0.2436 1.2210 1.4046 1.4943 1.1105 1.2213 1.6193 1.3872 0.8513 1.5541 0.9488 1.0640 0.4861 1.8871 1.3274 1.4709 1.2696 1.7488 0.9896 1.3955 0.6258 0.5985 0.7078 1.4453 3.1261 0.7237 0.7272 1.4459 1.7248 0.6594 1.0628 1.8627 2.2059 0.8223 1.3394 0.8836 1.6306 0.9146 1.5410 0.3721 0.9906 0.9296 0.6368 2.1842 1.3480 2.3077 0.6834 1.7011 0.9009 0.8860 0.6200 0.8958 0.7450 0.9245 2.6179 0.4865 0.4558 1.1701 0.5744 0.7648 0.9822 2.1694 1.0522 0.8389 0.6046 0.9433 1.0000 1.5708 1.2011 stearoyl ethanolamide 0.9322 1.0293 0.8818 1.0242 0.8808 0.7412 0.5861 1.0497 1.2186 1.5454 1.1672 0.8082 1.6704 1.0207 1.1034 1.0724 1.0097 0.7920 0.7245 1.1041 1.5943 0.8432 1.8239 1.1483 0.9713 0.8907 0.9134 1.4515 1.7304 1.6036 1.5613 1.3039 0.8413 0.8986 1.3549 1.2220 1.3323 0.8432 0.8926 1.0503 0.9062 0.9812 1.1237 1.2297 1.1578 0.7667 1.1551 0.8102 0.8672 1.0934 0.9665 1.1099 0.8483 1.8507 1.1356 0.6528 0.7421 1.2039 0.6780 0.8918 1.2073 0.6119 0.6748 1.1387 0.5597 0.7350 0.7061 1.1155 1.0000 0.9513 0.7325 0.9215 0.9476 1.3051 0.8386 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 0.8354 0.6853 0.9586 1.0387 0.8905 1.0000 0.6169 1.1344 0.9063 0.8608 1.0598 0.9239 1.2465 0.7157 1.6988 1.4801 1.3961 0.9725 0.8590 1.0466 0.8948 1.5332 1.1538 1.8825 0.5012 0.5927 0.5102 0.7520 1.5720 1.7018 1.1526 1.1776 1.3824 0.9867 1.7489 0.7481 1.0815 1.0982 1.0790 1.0977 1.2107 2.3503 0.8480 0.7989 0.8330 1.0469 1.1282 1.2067 0.8157 0.9259 1.2462 0.9841 0.3583 2.8660 1.1764 0.5055 0.7125 1.1557 0.5632 0.6322 1.1195 0.7773 1.7498 1.3007 1.1914 0.8259 0.8350 1.3049 0.7192 0.7938 1.1293 1.1208 0.7586 0.9849 0.5356 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 1.0559 0.7264 1.2569 1.4285 1.3609 1.5930 0.6595 0.9790 0.8565 0.9053 1.3381 0.6205 1.3069 0.9771 1.6031 2.0316 1.3052 0.9201 0.6869 1.2041 1.1013 2.0959 1.4925 2.4978 0.6536 0.4639 0.5161 0.5959 1.7280 2.1738 1.2339 2.0841 1.7031 0.8296 0.2091 0.9954 1.4727 0.4302 1.0551 0.2091 1.0741 0.9267 0.6371 0.9346 0.8066 0.9123 1.4440 1.4976 0.5058 2.1193 0.6649 0.5116 0.2091 2.2529 1.0078 0.2091 0.5028 1.0643 0.6498 0.2091 1.5851 0.5918 0.9914 1.2177 1.0903 0.2091 0.9041 1.1986 0.5028 0.6792 1.1545 0.6694 0.3862 1.0000 0.2091 stearoylcarnitine (C18) 0.5420 0.8648 1.4688 0.6967 1.7281 0.8497 1.1044 1.0076 0.9829 0.8712 1.2152 0.8793 0.7408 1.3239 1.8222 1.1657 1.0890 0.7189 1.1520 0.9392 2.2475 0.7520 2.2670 1.6354 1.4064 0.6702 1.3130 1.6046 0.8705 1.5010 1.1602 1.5672 0.9622 0.8555 1.3472 1.0814 1.0768 1.2807 0.9007 1.4131 1.1494 1.2310 0.9432 0.9975 1.1745 1.6944 0.5261 0.8792 0.9977 0.8634 0.8454 0.6972 0.5261 1.2011 1.0747 0.8713 1.9133 1.5177 0.8248 0.6999 1.6948 0.8860 0.6059 1.2131 0.4687 1.0420 1.0000 0.7766 1.1156 0.8810 0.8854 0.9528 1.8239 0.9495 0.9600 stearoylcholine* 0.4499 0.2145 0.5255 1.1576 1.6150 1.9868 1.1280 0.8240 0.5817 2.3615 1.2530 1.2186 1.6317 0.8633 0.5633 0.8025 1.8614 1.9341 2.6975 1.5572 1.9567 0.7844 2.2564 1.5644 1.3488 1.2012 0.8757 0.0877 0.4357 1.9746 1.1061 1.8113 1.3932 0.4390 0.6452 0.3155 3.3368 0.4306 1.9216 2.4469 0.6967 1.6318 1.2215 1.6270 0.6749 0.8285 0.2267 1.1370 0.7744 1.9168 0.0877 1.4730 0.7662 0.9025 0.5184 1.0977 1.2953 1.0074 0.2343 0.3583 0.2743 0.4898 0.9349 0.7219 0.9926 0.8644 0.2293 1.8896 0.1168 0.2181 1.1438 1.2008 0.2732 1.3938 0.2032 stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* 1.3400 0.6485 1.0000 2.0131 1.5851 3.5586 0.5098 0.4410 0.7831 0.1899 2.8665 2.1076 0.9880 0.6337 2.4904 1.8301 2.4007 0.7896 1.3104 0.8360 0.8830 1.8315 1.5642 6.4517 0.6901 0.9606 0.2014 3.0010 2.4649 0.8375 0.9526 2.9523 2.8501 0.6848 1.8811 1.2856 0.5047 0.7236 1.0249 0.3927 0.4691 0.8291 0.1070 0.8636 1.1611 2.8410 1.4934 0.8057 1.2510 3.6273 1.1420 0.7487 0.4772 7.2947 1.0460 0.2138 0.3366 0.6832 2.0113 0.2281 1.2887 1.1181 0.7990 2.2854 1.0643 0.3996 1.3391 0.9121 0.5816 0.7275 0.9728 0.5619 2.9247 1.1022 1.8011 suberate (octanedioate) 0.9475 0.3324 1.3717 0.3324 1.1862 0.9886 0.3324 0.3324 0.7632 0.3324 1.2970 1.5526 0.5489 0.3789 1.0821 1.4605 0.9204 2.3727 0.3324 0.5242 1.5184 0.3324 0.7030 1.0798 1.3540 1.6714 0.5400 0.6345 0.8007 0.7649 1.6201 0.9638 0.3324 0.3324 0.9272 0.3324 0.7409 0.9612 1.0109 1.6368 0.3324 1.3425 1.3866 0.5101 0.3324 14.7782 0.3324 0.7795 2.0761 0.3324 0.3324 1.8078 0.9085 1.2615 0.7600 0.5851 1.0659 1.2520 0.9187 1.9385 1.6034 0.4649 0.9304 1.1553 0.9334 0.6675 1.1535 0.3324 1.3169 0.9891 0.9672 1.1045 1.4681 1.0308 0.8307 suberoylcarnitine (C8-DC) 1.0983 2.3396 2.4734 1.2831 1.4399 1.0268 0.9416 0.6128 1.4682 1.3366 1.8494 1.6220 0.7148 0.9174 0.9031 1.1985 1.2279 2.9009 0.4061 0.4772 4.4475 0.3400 2.4740 0.2941 0.8844 4.5572 3.0664 2.6815 2.0590 3.7199 0.8911 1.3046 0.5232 0.8807 0.9057 0.3430 2.5051 0.3218 1.2362 2.1398 1.5654 0.3974 0.9744 0.9778 2.0308 7.0693 1.7471 0.3848 0.8675 0.4689 0.7385 0.6990 0.8760 3.2929 0.9031 1.4247 0.4593 1.1771 0.5733 5.2981 2.9332 0.7274 0.8134 0.7059 0.7957 0.5472 1.2668 0.9792 0.8635 1.0158 0.2941 0.3549 0.9842 2.1636 1.1994 succinate 1.0623 1.0664 1.1108 0.9967 1.0402 0.8694 1.1567 0.7326 0.8104 0.9807 1.0371 1.1904 0.8859 0.9472 0.9432 0.9583 1.2202 0.9779 1.1361 0.9979 1.0122 0.7400 1.3776 0.8672 0.8523 1.0812 1.2147 1.1377 0.9299 1.1743 1.0833 1.1284 0.8463 0.9046 1.1609 0.9659 1.1495 1.0639 1.3174 1.1759 0.9295 0.9657 0.8977 1.1172 0.9454 1.0226 1.0092 1.0296 1.0330 0.8391 1.2272 0.8539 0.7598 1.0773 0.8433 0.9688 1.2297 0.8677 1.0000 0.6085 1.3482 1.1163 0.6965 0.7148 0.9135 0.9844 1.0237 0.9741 0.8636 0.9251 0.9618 1.0984 1.2400 1.1960 1.0546 succinimide 0.9878 0.6578 1.3126 1.2176 1.4720 1.5702 1.8900 1.4422 0.5810 0.4411 2.2957 1.2882 0.5881 2.3013 1.5815 1.2988 1.5444 1.7582 1.5038 0.5201 1.1429 0.4411 0.8600 0.6940 0.9738 1.0380 1.9296 2.3321 0.9261 0.7234 0.6407 0.6276 1.1407 0.9578 1.0800 0.7026 0.6108 1.0457 1.0564 1.5083 1.2933 0.7740 1.2338 0.8591 0.8340 0.8583 1.9298 0.7596 0.8761 0.7508 1.1650 0.7218 0.5170 1.2601 1.6110 0.6968 0.8452 2.2039 0.7815 0.7253 0.9498 2.2311 0.8323 0.6224 0.4411 1.8397 1.0354 0.7186 1.0122 1.0554 0.7496 0.4411 1.2391 0.6936 0.9311 succinylcarnitine (C4-DC) 1.1068 0.8231 1.1738 1.7720 1.3436 1.0986 1.3191 0.5826 0.6340 1.4815 1.4144 1.3570 1.3558 0.5402 0.9279 0.9008 1.6153 1.3899 1.4530 1.4826 1.2021 0.9972 1.4204 1.3576 1.0795 0.8378 0.7301 2.3132 1.3741 0.7302 0.9573 1.4201 0.9061 0.7019 0.7933 0.8367 0.7505 1.1963 0.9204 0.7509 1.5652 1.1860 0.5951 0.7768 1.1320 0.9751 1.0432 0.9706 1.1680 1.0391 1.8219 1.0000 0.8147 1.2574 0.9663 1.0775 0.8242 1.1508 1.3898 0.4860 0.9230 1.1552 0.9714 1.0836 0.8773 1.0793 0.8606 0.8988 0.9698 0.6086 0.9975 0.7087 1.2865 0.6800 0.8373 sucralose 0.3246 0.3783 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.4203 0.3246 0.3246 0.3246 0.3246 0.9685 0.3246 0.3246 0.3246 0.3246 0.3246 1.1046 0.3246 0.3246 0.3246 0.3246 0.4105 0.3246 0.3246 0.3246 0.3246 1.0315 0.3246 9.6474 0.3246 0.3246 0.3246 0.3246 10.4850 0.3246 0.3246 0.3246 2.1554 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 0.3246 2.4590 0.3246 0.3246 0.3246 0.3246 0.3246 0.7935 sulfate* 1.0970 1.1396 0.8187 1.0000 0.8385 1.0856 1.2065 0.9085 1.0140 1.1441 0.8266 0.9912 1.1436 0.8276 0.9318 1.0869 1.2244 1.1092 1.2556 0.9582 0.9740 0.8163 1.0350 0.9191 0.9630 1.0785 0.8907 0.8701 1.0389 0.8676 1.0166 0.8778 0.7161 0.8813 0.9923 0.8043 1.1984 0.9660 1.0709 0.8822 0.9834 1.1034 0.9599 1.1916 0.8491 0.9547 1.0622 0.9836 1.0485 1.0086 0.9347 1.0526 1.6460 1.1177 0.9935 0.9176 1.1383 1.0086 0.8248 1.0090 1.0049 1.0676 1.1548 0.9046 1.4323 0.9449 0.9986 1.2843 1.0512 0.9212 0.8943 1.1856 1.1647 1.2472 0.6122 tartarate 1.0946 1.4289 0.3704 1.7560 1.3160 0.6441 0.8334 0.7328 0.8129 0.9959 0.9886 2.8481 1.0000 2.3132 1.0812 0.6887 1.7702 1.2712 1.2021 0.7767 0.9610 0.5062 0.3030 2.5656 0.8204 1.4835 1.1753 0.9437 0.5158 0.4979 0.3030 0.3030 0.3909 0.6408 1.0384 0.6236 1.2251 0.6490 1.1663 0.5840 2.0545 0.5153 1.5753 0.7283 0.9698 1.0963 1.7009 0.7673 4.8756 1.1310 2.2507 0.9625 1.8498 0.9186 0.9978 0.9363 1.3597 1.4890 0.4098 1.0633 1.1887 2.7676 3.6328 0.4366 1.0338 0.7970 0.4305 0.6143 1.3716 2.0088 1.9752 1.0772 0.8577 1.4280 0.6638 tartronate (hydroxymalonate) 1.1466 1.1628 0.5290 1.6576 1.3528 0.7685 0.8758 0.8050 1.0007 1.2856 0.9584 1.2225 0.9052 1.2661 1.1562 0.8797 1.7683 1.4757 1.5187 1.2134 1.2624 0.6070 0.3042 0.7874 1.0157 1.6390 1.1718 0.4305 0.4731 0.7813 0.4567 0.2725 0.5207 0.7439 1.2296 0.8801 1.3395 0.6684 1.3080 1.0924 0.8464 0.6864 1.3924 1.0000 0.8648 0.9547 1.0932 0.5295 1.6666 0.8440 0.9648 1.1040 1.4376 0.8762 0.9393 1.1684 1.5480 1.3891 0.3605 1.3874 1.1647 1.2357 1.6606 0.5619 0.9308 0.7405 0.6536 0.7445 0.9047 1.6089 1.7699 1.3343 0.9416 1.7363 0.7973 taurine 0.9323 0.6381 0.8294 1.3438 0.8634 1.2947 1.1749 0.8735 1.2792 1.1871 0.8847 1.0484 1.0760 1.3481 0.7605 1.1765 1.0485 0.9611 0.8831 1.1701 0.6170 1.0924 1.0971 0.9540 1.1421 1.3158 1.1126 0.8069 0.8048 1.3477 1.1668 1.1948 0.5335 1.0272 1.0516 0.7106 1.3054 1.3024 1.4455 1.1828 0.9825 0.8467 0.6746 1.4175 0.8734 1.4946 0.7888 0.7316 1.0727 0.9060 0.7186 0.7423 1.1147 1.2599 0.9589 0.7131 1.0072 0.9043 0.7734 1.2952 0.7461 1.0654 0.7932 0.9856 0.9433 0.8960 1.3573 0.9764 0.9072 1.1707 1.5106 1.1216 0.7687 1.0000 0.8421 tauro-beta-muricholate 0.9316 0.7328 0.2863 1.9090 0.2863 0.2863 0.6481 2.1841 0.2863 0.2863 0.2863 0.2863 0.2863 0.2863 0.2863 0.2863 0.3143 2.1160 0.4545 3.1088 0.2863 0.2863 0.2863 0.2863 0.2863 0.2863 0.3373 0.2863 0.4294 1.1657 1.5873 0.2863 0.2863 0.5208 0.9995 4.5159 1.8882 0.2863 0.2863 1.3677 1.1759 0.2863 0.2863 0.2863 1.0000 3.4559 0.6811 0.4312 0.9611 0.2863 1.3271 0.4211 6.5408 0.2863 0.6643 0.2863 1.0881 0.2863 0.2863 2.3912 0.2863 4.8642 0.6303 0.2863 1.4793 0.3742 0.2863 0.2863 1.1148 0.4718 0.4765 3.0050 0.2863 0.7230 3.3343 taurochenodeoxycholate 1.3628 1.8237 0.8641 1.7887 0.5247 0.4166 1.6615 0.9612 0.9581 3.2171 0.6223 0.4500 0.8557 1.1677 0.0492 0.1511 2.5260 0.4663 1.2579 3.3171 0.7003 0.4700 0.7913 0.4859 1.0340 0.6379 0.8216 0.6795 1.0091 1.3516 1.5120 5.1340 0.4045 0.3929 1.5525 2.8854 2.1672 0.0492 1.5535 4.9664 1.1382 0.0492 0.0492 1.1433 0.8474 3.6675 8.2584 0.4595 2.1202 0.6194 0.5344 0.7811 2.3118 0.0641 2.5300 0.3508 7.7786 0.4491 1.3692 4.4620 3.2040 0.7603 0.4605 0.9909 2.4888 0.6408 0.0492 0.0492 0.5195 1.1791 1.6650 0.6379 0.7532 2.2900 4.2944 taurocholate 1.1456 4.4149 0.4425 2.8496 0.1524 0.3921 2.3069 0.6168 0.6091 2.0884 0.4016 0.2977 1.0000 0.7622 0.1524 0.1524 2.7511 0.1524 3.5607 4.4896 0.1524 0.4718 0.5314 1.3391 0.5845 0.1524 0.3820 0.5574 0.8759 0.5811 1.0345 8.8663 0.4686 0.1524 1.5437 5.1114 1.3637 0.1524 1.3580 3.5079 0.5415 0.1524 0.1524 0.3281 0.7891 4.4342 8.6558 1.5865 1.4690 0.1524 0.8282 0.1524 7.9695 0.1524 1.9467 0.1524 2.6661 0.1524 0.9298 1.3839 1.0419 0.3553 0.3962 0.6142 3.4665 1.6640 0.1524 0.1524 0.4089 0.6166 0.8482 0.8986 0.6999 3.1104 5.1211 taurocholenate sulfate 4.2940 2.8524 1.3522 2.3666 1.4877 1.4911 0.9685 1.3598 1.4046 0.5326 0.8776 1.2370 0.9765 0.7881 0.4367 0.8560 4.2045 0.4205 1.0682 0.8732 1.6141 0.7903 0.7626 0.4682 0.8494 1.3022 1.4052 1.3109 1.2257 0.2672 1.7423 1.3956 0.6687 0.7307 1.0340 1.4271 3.1873 0.9459 1.1219 1.3963 1.5572 0.4982 1.5335 1.5214 1.6960 0.9830 3.9914 0.3979 0.4966 0.4739 0.9946 1.1250 1.8333 0.8360 0.9569 1.0000 1.6375 0.6504 1.1091 4.7649 0.8019 0.6139 0.7529 0.6626 0.9027 0.9761 0.9629 1.0719 0.5019 3.2356 0.8058 1.1194 1.5511 0.9432 0.6677 taurodeoxycholate 2.3215 3.4869 0.0521 3.6491 1.2428 0.6568 2.2882 0.6213 0.4994 3.6134 0.7562 0.1218 2.0762 0.5663 0.0521 0.5953 0.9098 2.6778 3.0161 8.8283 0.7068 0.4732 0.5905 0.4477 0.0521 0.6223 0.6208 0.0521 0.4410 1.6086 1.7608 12.1316 0.4887 0.3484 4.6535 7.4539 2.0928 0.0521 0.5433 4.4043 0.8226 0.0521 0.0521 1.8022 0.4978 7.5015 0.0521 0.7750 1.5596 0.6889 1.6072 0.7127 6.1763 0.3974 1.5844 0.4758 8.5938 0.0521 1.0142 8.0303 1.0000 0.4848 0.4465 0.0521 1.7088 0.4375 0.1129 0.0521 0.6617 1.0078 2.5456 1.5949 0.9077 2.1593 1.4468 taurolithocholate 3-sulfate 1.2035 3.6170 0.0765 4.2822 0.6168 1.0284 1.2181 0.8265 0.8722 1.2590 0.6679 0.2923 0.4846 1.1753 0.3735 0.7206 2.8942 1.1617 2.2970 1.9362 1.4582 0.5074 0.1993 0.2864 0.0765 0.8046 2.1773 0.0765 1.0786 0.7214 0.6675 1.8487 0.5887 0.9760 1.8836 1.2526 5.2576 0.5386 1.3463 1.5924 0.9646 0.0994 0.6802 1.1878 0.1246 2.2582 0.6826 0.2748 0.7441 0.4349 1.1701 0.2695 3.6907 0.1913 2.2726 0.8594 3.6925 0.3727 0.7310 5.9478 0.1613 2.0526 1.0686 0.0765 3.3839 0.3149 1.2091 0.3306 0.8469 4.6577 1.6502 1.0240 0.8860 1.3528 4.5529 testosterone sulfate 1.9150 0.3846 0.3846 0.3846 4.2313 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.9006 0.3846 0.3846 0.6023 0.3846 0.3846 0.3846 4.2167 0.3846 2.9234 0.3846 0.9610 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.4182 0.3846 0.3846 0.3846 0.3846 0.5656 0.3846 0.3846 0.3846 0.3846 0.3846 0.3846 0.4055 0.3846 1.6536 0.3846 1.1463 0.3846 0.3846 0.3846 0.3846 0.3846 1.3372 0.3846 7.5118 0.8729 1.0390 0.8518 10.5237 0.5897 0.3846 0.3846 0.3846 0.3846 0.3846 tetradecanedioate 2.9771 1.4802 2.0223 1.3415 0.9630 1.1544 0.5251 0.9788 1.9530 0.5415 0.7669 0.9760 0.7838 1.3156 0.9418 1.5648 1.1784 1.1506 0.4556 0.4741 1.0816 0.5301 0.8448 0.8481 0.6253 1.4574 2.4947 1.0157 1.2243 0.9198 0.9374 0.9320 0.4664 0.9766 1.6132 0.5487 2.9249 0.4181 2.3105 2.4736 1.9824 0.5415 2.0267 1.0000 1.0995 3.6268 0.6336 0.4215 0.5679 0.9097 1.3978 1.2280 0.7050 1.4792 1.2576 1.8281 0.8362 1.1617 0.7145 4.9491 2.7387 0.3642 0.4297 0.6821 0.4580 0.5143 1.2399 1.6992 1.1124 0.9551 0.3682 0.5109 1.7881 3.6439 1.2707 theanine 0.1784 1.6180 0.1784 0.4809 0.1784 0.1784 0.1784 0.1784 0.1784 0.1784 0.8889 0.1784 0.1784 0.1784 0.1784 0.1784 0.7505 10.7521 0.4275 1.9281 0.1784 8.6804 2.9088 0.5017 0.1784 0.1784 1.0750 0.1784 0.1784 0.1784 1.2019 0.1784 0.1784 0.1784 0.1784 0.9196 0.1784 0.9250 0.1784 0.1784 1.9677 0.8894 0.1784 3.7294 2.1165 2.2191 0.3882 0.1784 0.1784 0.1784 0.1784 0.4460 0.1784 0.1784 0.1784 0.5804 0.1784 0.1784 13.7395 0.1784 0.2333 0.1784 0.1784 0.1784 0.1784 1.1615 0.1784 0.1784 0.1784 1.1283 0.1784 0.1784 0.1784 0.4338 0.1784 theobromine 1.8630 0.7319 1.3312 0.6602 0.8888 0.7071 0.4300 0.1404 1.9275 0.4640 0.1512 0.2261 0.0748 0.0832 0.0748 0.1547 1.5497 1.1282 0.7032 2.1470 3.4973 0.0829 2.4213 1.2253 5.1265 1.6196 12.6548 1.6855 0.2402 2.3209 1.9456 0.0748 1.0811 1.1323 4.4708 4.2857 0.3257 0.4549 2.4512 2.1724 0.4042 1.2341 0.8748 0.6113 0.1568 18.1727 1.8367 1.5681 0.9037 0.8836 1.2128 0.5668 7.3694 0.6745 0.9189 0.1234 6.5288 0.4156 1.1747 0.2694 1.9379 5.2376 0.7605 1.8253 2.5395 0.1328 0.0748 0.5682 0.4532 1.6830 0.1756 1.6900 1.9503 0.4402 0.0987 theophylline 1.2095 4.2510 1.4911 3.6850 0.8553 1.4387 0.1558 0.6698 0.5508 0.3713 0.5821 0.0939 0.1033 0.0939 0.0939 0.2381 0.2740 3.7400 1.6744 2.2096 0.6764 0.0939 3.2002 5.1128 8.3291 0.7832 1.6565 5.4202 1.0357 1.7673 4.5674 0.0939 0.2982 1.2762 0.7053 1.5139 2.7482 0.4992 4.1384 0.2615 0.9062 1.4655 6.0687 1.2425 0.4693 5.3351 0.9858 0.6346 1.0000 2.6132 0.2122 1.1067 3.4919 0.4974 5.4263 0.4149 0.6096 0.3154 5.2981 0.9233 13.1828 0.9766 5.8467 10.5419 5.8618 0.3905 0.1868 2.5217 0.2447 7.8036 0.3397 0.6349 0.7265 0.4035 0.2234 thioproline 0.9920 0.6687 1.2654 0.7154 1.0131 0.9932 1.1004 1.1224 0.9906 0.7812 0.8862 1.1819 0.8182 0.7234 1.0090 1.3640 0.8011 1.0375 1.0361 1.1228 0.7874 1.2121 0.8884 1.5023 0.8872 0.6776 0.4385 1.0066 1.3542 0.9047 1.0788 1.1017 0.9294 1.1610 0.7369 0.9258 0.5459 0.9749 1.1809 0.8090 1.1169 1.0000 0.6727 0.8241 1.1129 1.0614 0.8813 1.6308 1.0969 1.2839 0.8624 1.1929 1.1337 0.9090 1.2952 0.6728 0.8311 0.7518 1.7382 0.4927 1.1856 1.0087 0.9815 1.2369 0.8355 1.0989 1.0521 1.0233 1.0951 0.7528 0.9482 1.1009 1.1915 0.8037 0.9427 threonate 0.8133 1.0009 0.6796 1.8612 1.0010 0.9957 1.1187 1.1481 1.3449 1.3231 0.8770 1.0146 1.0597 1.0000 1.3900 0.7940 1.4106 1.7135 1.3014 1.7430 1.3951 0.7624 0.3096 0.9159 1.1147 1.1128 1.2275 0.6224 0.8337 1.1410 0.5364 0.2521 0.3813 0.7299 1.1351 0.7756 1.3680 0.9922 1.6739 1.1817 1.5656 0.9386 1.1940 1.0639 1.3160 1.5428 1.1757 0.7147 1.8972 0.6255 0.7730 0.9337 1.1794 1.1379 0.9994 1.0876 0.7547 0.5955 0.3869 0.6425 0.8744 1.4329 1.3665 0.3140 0.3731 0.4381 0.4709 0.4896 0.4417 0.7796 0.7954 1.3679 0.8868 1.6929 0.9611 threonine 1.3716 1.1044 1.0481 0.7297 1.2067 0.9095 1.0000 1.2742 0.6095 1.1411 0.9400 1.2126 0.7752 1.2455 0.8454 1.1647 1.0218 0.8255 1.0599 1.2700 0.7682 1.2829 1.4840 0.8027 1.0434 0.8712 1.0540 0.9797 0.8633 0.7512 1.0396 1.3203 0.9406 1.0810 1.0225 0.8310 1.3242 0.8441 0.5843 1.1677 0.7302 1.1240 0.7205 0.7068 0.5835 0.8808 0.7706 1.6156 1.0923 0.7141 1.1914 1.1304 0.8647 0.7919 0.7949 0.8839 0.9045 1.3632 1.0526 0.7397 1.0109 0.8448 0.8462 0.9198 0.7614 0.9632 1.2336 1.6420 0.8109 1.1715 1.0300 0.8857 1.2596 1.1283 1.1150 thymol sulfate 0.2656 0.0887 2.4957 0.1208 15.7535 3.9146 1.3062 1.1186 0.9523 5.1519 0.1049 2.5634 2.6864 0.6881 3.1415 20.5862 0.2676 1.7799 20.7780 0.3375 0.5770 0.0471 1.2781 0.3208 18.0698 0.0421 0.8694 26.0531 0.1902 17.5441 1.5356 0.2972 0.1223 1.0328 8.4736 10.4978 0.3620 2.0240 0.3085 0.3239 3.4726 3.0057 0.4444 1.0248 0.9752 2.8519 1.8057 0.2102 4.8905 0.6284 0.0421 0.4987 3.2654 0.2267 0.0920 0.2579 0.3870 0.1150 0.6506 0.0708 2.8805 3.3143 3.4689 19.6625 2.4845 8.7883 0.1284 6.4817 0.1929 0.6304 0.3644 0.1987 4.0195 0.1560 7.8784 thyroxine 1.1633 1.0832 0.9506 1.3190 1.1696 0.7836 0.9632 1.0818 1.1164 0.7401 0.9100 1.0531 0.8526 0.9549 0.5839 1.0405 1.1350 0.8344 0.7656 1.0377 1.3506 1.0748 1.0656 0.9603 0.5076 0.9367 0.5630 1.0369 0.8730 1.4452 1.1599 0.8350 0.9736 0.8424 0.7704 0.9344 1.3398 0.7809 1.0379 1.0181 0.9456 0.8144 0.9033 0.9476 1.1265 0.8667 1.8870 1.1293 1.1590 1.0533 1.3433 0.9633 1.0148 1.5055 0.8378 1.2064 0.8841 0.9592 1.0301 1.4268 0.8693 0.7907 1.1557 0.9474 1.2498 0.9827 1.0007 1.0718 1.0000 0.8252 1.1114 0.8264 0.7620 1.3262 1.0108 tigloylglycine 0.9128 0.2719 0.5790 2.0724 0.9686 0.2719 0.8637 0.2719 1.0316 0.9385 0.2719 0.2719 0.2719 0.7076 1.5542 1.6157 0.2719 3.2577 1.6504 2.6202 0.6816 0.7601 0.6695 1.4575 0.2719 0.6593 0.2719 1.2352 0.7797 0.9571 1.2772 0.2719 0.2719 1.0576 1.6587 1.0289 0.8771 0.6476 0.2719 1.5538 3.8612 0.2719 0.8508 0.2719 0.5664 1.2534 3.8589 0.8683 1.2568 0.9711 0.8995 1.3545 6.9209 0.6577 1.4153 1.0703 4.8277 1.6085 0.2719 0.2719 0.2719 0.2719 1.4907 0.2719 0.6274 0.5931 0.6696 0.2719 1.7655 0.5176 0.2719 0.9616 0.8135 0.2719 1.6464 tiglylcarnitine (C5:1-DC) 0.5926 0.7058 0.9718 0.8053 0.5670 1.6550 3.2277 0.5795 0.9760 1.5319 1.2613 0.7400 0.7959 1.4499 1.5501 0.9865 1.6631 0.8924 2.5872 0.5438 1.7738 0.5161 1.2019 2.1270 1.0314 0.7290 0.5882 1.2380 1.6797 0.7027 1.2092 1.1450 0.6071 0.8743 1.2957 0.6701 0.8492 2.1130 1.1871 1.1650 2.0993 1.1301 1.0000 0.5822 1.3521 0.7728 1.2706 0.9846 0.5377 0.6744 0.6854 1.4219 4.3817 0.9898 1.2262 0.8880 2.8689 0.8648 0.8145 0.9428 0.7367 1.0247 0.7121 1.2078 1.4733 1.8836 1.4971 1.4365 3.0039 1.1460 0.4710 0.7584 2.0325 0.4809 0.8323 trans-urocanate 1.2206 1.1832 0.6218 0.8474 1.8572 0.9245 0.5282 0.7544 0.8117 1.1142 1.0144 1.0000 0.7630 1.8831 1.3587 2.3705 2.5416 1.0813 1.9603 0.7299 1.3662 0.6195 0.7696 1.0962 1.1448 0.7137 0.7868 0.9659 2.2164 0.6469 1.3082 0.6943 1.2419 0.8442 2.8643 1.0079 1.2265 0.9248 0.7600 0.8250 1.9023 1.0195 1.8905 0.7476 0.6990 0.5949 0.8404 2.1657 1.4153 1.0123 1.4298 1.3293 0.7428 0.8584 0.9699 0.5755 0.5623 0.7792 0.7197 0.9152 0.9982 2.1057 1.0510 0.9374 0.7161 1.1954 0.7923 1.1229 1.4927 0.7813 0.8294 1.3592 1.4729 1.7911 1.4466 tricosanoyl sphingomyelin (d18:1/23:0)* 0.8176 1.0569 0.9895 1.4802 1.1855 1.2115 0.7459 1.3370 1.0274 1.3458 0.9915 0.7244 1.4728 0.8966 0.6784 0.7748 1.2408 0.8750 0.7041 1.0981 0.9568 0.9071 0.9459 1.6770 0.8745 0.6289 0.8762 1.4940 1.4924 1.1645 1.2703 1.5134 0.8846 0.6189 1.2204 1.1775 1.1713 0.8952 0.8193 1.4119 1.0440 1.0179 0.8772 0.6709 0.7766 0.8437 1.3460 0.9368 0.8501 1.0375 1.1635 1.2646 0.4490 1.1367 0.7627 1.0000 0.9936 1.1464 0.9418 0.8627 0.6527 0.7999 1.1016 1.2946 1.1037 1.2305 1.1386 0.5458 1.2134 0.9198 1.0316 1.1069 0.6510 1.3041 0.8567 trigonelline (N'-methylnicotinate) 0.1497 2.1987 1.2805 1.9639 0.6089 3.3705 0.3903 0.4381 0.4741 0.6469 0.2575 1.6827 1.4619 0.7309 0.9035 0.9762 1.4197 4.8305 2.8888 1.3360 0.6591 3.4554 1.5172 1.5470 3.3525 0.1725 1.3814 11.6735 0.2542 3.4069 3.7183 0.1219 0.8360 0.6347 0.3839 0.1970 13.9754 0.3897 7.2563 0.1102 4.0823 0.4140 4.0041 0.1110 0.2771 20.9622 0.1256 0.2036 3.6064 8.3663 0.9581 0.2104 3.6461 0.7960 2.2548 0.3744 0.5899 0.3727 1.4821 0.3845 4.4268 4.0748 2.2887 6.9218 3.5753 1.8129 0.5529 0.8577 1.0000 1.3499 0.3042 0.8017 0.7748 1.7105 1.9782 trimethylamine N-oxide 0.4873 1.0914 0.4974 1.1622 0.8574 2.3495 0.9729 0.9453 0.8400 0.9562 1.7479 0.6814 1.3627 0.6521 1.0415 1.2458 3.7913 1.2598 1.0211 2.1529 0.5973 0.9490 1.4566 1.4216 0.3675 0.8099 0.7876 4.1300 1.0000 0.7597 1.0609 1.2181 1.1276 0.6497 1.0150 0.9098 0.6432 0.4584 1.3669 0.5778 1.1537 1.4803 1.4067 0.5854 0.3543 4.2027 0.3146 1.2941 0.6502 0.8085 0.7190 0.6723 1.4342 1.0245 1.5138 2.1393 3.7869 0.9168 0.6861 0.7871 0.6012 1.0129 0.6597 0.1928 3.6979 1.3679 2.0145 1.5188 1.3257 0.4860 0.4084 0.6624 1.0717 1.0846 0.9345 tryptophan 0.8804 0.9091 1.2759 0.9920 1.0418 1.0508 1.1408 0.9821 0.7854 0.7260 1.1953 1.1716 0.9778 0.8506 1.0313 1.1057 1.0663 0.8389 1.0900 0.7517 1.0180 0.8759 1.0078 1.1241 1.0721 1.0031 0.7975 0.9595 1.0180 0.8272 1.0000 1.0500 1.1510 0.8181 0.8551 0.8402 1.0647 1.1336 0.9069 1.0231 1.1498 0.8659 0.8761 0.8506 0.8792 0.8396 0.9172 1.0161 1.0312 1.0955 0.9221 1.1821 1.0262 0.9413 1.0937 0.7807 1.0591 0.7770 1.2249 0.7439 0.8036 0.8972 1.0118 1.2052 0.9688 1.0503 1.1948 1.0604 1.1258 0.9832 0.9711 0.8981 1.3053 0.7126 0.7882 tryptophan betaine 0.4940 1.8428 0.3895 0.8222 0.1845 1.3942 2.6430 0.3505 0.5368 0.4026 1.1154 0.7402 0.6971 4.7357 2.1416 0.5030 2.0143 4.6163 1.7389 0.1584 0.0268 1.1737 0.4108 0.4087 2.0347 2.5147 1.2389 2.6652 0.7635 1.0384 2.3274 0.0126 0.3906 2.7616 0.3486 0.3214 0.1593 0.2796 6.1605 0.3889 1.4206 1.0936 2.4328 0.0178 0.0549 7.5509 0.5255 0.0160 1.5691 4.8786 2.7416 0.0538 3.5205 1.5561 0.2091 0.0149 0.4650 2.5138 2.7503 1.1023 1.5609 4.0583 1.1336 0.1463 2.0111 0.9761 0.9426 0.0744 0.1239 0.7867 1.8476 2.4772 0.5242 1.2893 1.0000 tyramine O-sulfate 0.4354 2.3498 3.4120 0.5997 0.2351 7.3889 3.1866 0.2351 1.0142 1.9216 1.1728 0.2351 1.0144 0.2351 7.6282 0.6197 1.5219 1.9476 1.6901 0.7480 0.7146 0.5423 1.9309 0.7651 1.4847 0.6153 0.2351 0.2751 14.6923 0.3268 0.6529 1.1561 2.7818 0.2351 2.3936 1.7830 1.4786 1.1328 0.5252 2.2258 0.9858 0.9656 0.6559 0.2351 0.5798 0.8315 1.4689 3.6302 0.9410 0.5940 0.2351 0.3782 2.2751 0.3059 1.5819 0.4953 3.4078 0.3382 0.4493 0.5531 0.6982 0.2351 0.6194 0.6255 1.9579 1.2311 1.4875 2.1977 1.5868 0.5558 0.4529 0.7460 0.4695 0.2351 2.2915 tyrosine 0.8179 0.6761 1.0817 0.8068 0.6898 1.0781 1.2517 1.2860 0.7548 0.7433 1.4054 1.2392 1.4065 1.0180 1.2304 1.1802 0.9828 0.8793 1.0000 1.1708 0.8790 1.2693 1.3473 1.3262 0.9534 0.8421 0.6119 0.8918 1.4274 0.6339 1.2119 1.6189 1.4240 1.0543 0.9999 0.8479 1.0633 1.3369 0.9953 0.9906 0.9680 1.2379 0.8912 1.2034 0.6808 0.8027 0.8886 0.9495 1.1765 1.1526 0.6978 1.4409 1.1220 1.3690 0.9925 0.7264 0.9657 0.6468 1.7406 0.4324 0.8678 0.6348 0.5948 1.2874 0.8868 1.0706 1.3355 1.2285 1.0085 0.7714 0.8236 1.0535 1.0558 0.9315 1.1031 umbelliferone sulfate 0.1444 0.1444 2.7183 1.7637 1.0505 0.1444 0.4973 0.3204 0.1444 3.1312 0.1444 1.0071 0.8215 0.4993 0.1444 0.4742 1.0000 0.1444 0.1444 0.1444 0.3303 0.1444 1.3862 2.6439 3.4516 0.1444 0.1444 0.3727 3.8920 0.8295 1.3422 1.1425 0.1444 1.1823 0.4366 5.6223 0.1444 1.8005 2.0943 0.3249 0.1653 0.1444 1.6296 4.3723 0.1444 0.6513 0.1444 0.8452 0.1444 0.9792 0.1444 0.1444 6.4615 0.1444 0.2076 0.1444 0.1444 0.1444 1.4100 0.1444 1.9028 0.3031 0.3204 0.1444 0.5158 0.1444 0.5386 3.1106 0.3428 0.3933 1.8290 0.4373 1.2131 0.1444 0.1444 uracil 0.6804 0.7159 1.1348 0.7558 0.5768 1.5014 1.0261 0.8682 1.1086 1.0093 0.7786 0.4900 0.7934 0.9215 0.8296 1.1274 0.9086 0.7935 0.8886 1.0990 0.7542 0.8690 0.5729 1.2451 1.1173 0.8757 0.6261 1.7705 1.2276 0.6666 1.1819 1.1009 0.8133 0.4900 1.5959 1.3150 1.2102 1.3801 0.6636 1.4930 1.4545 1.5499 1.0831 0.7216 1.1663 1.3876 0.5583 1.0792 1.3462 0.8175 0.5605 1.1550 1.3921 0.7422 0.9211 0.7171 1.5351 0.7843 1.0955 0.6150 0.7535 1.3048 1.4410 0.9595 0.7592 1.3273 1.0738 0.7460 1.0231 0.7885 1.4539 0.9907 1.0999 0.9367 1.0168 urate 0.7788 0.8448 0.9957 1.0724 1.2515 1.4944 1.2252 0.9931 0.8613 1.1722 1.3774 1.1071 1.2888 0.9295 1.2173 0.9352 1.1226 1.0000 1.2565 0.9108 1.1808 0.6007 1.4486 1.1953 1.3467 1.0128 0.7870 1.2655 1.2891 1.0848 0.6831 1.3421 0.9532 0.8069 0.8761 0.7789 0.9387 1.0657 0.7654 0.8218 1.0084 0.9107 0.9261 0.6121 0.7024 1.2910 0.7448 0.6048 1.0432 1.1221 0.9933 0.9253 0.9806 1.4010 1.1811 0.9311 0.9616 0.9633 1.1110 0.7768 0.9812 1.0773 0.8748 1.2558 0.6055 1.1900 1.2247 0.8542 1.0708 1.0293 0.9925 1.0227 1.3117 1.0386 0.5285 urea 0.8856 0.6560 1.0882 0.9380 0.8223 1.5134 1.4666 0.7419 1.1126 1.2387 1.2116 1.1335 0.6611 0.7366 1.1327 0.9878 1.1941 1.3373 1.4007 0.7634 1.1901 0.9101 0.9255 1.6010 1.2215 1.0000 0.6483 1.1492 1.2351 0.5195 0.8831 0.9543 0.9666 0.7016 0.9560 0.7364 1.1517 1.1282 0.6462 1.0524 1.7257 1.2744 0.7600 0.8998 0.9237 0.7600 0.6078 1.1427 1.4614 0.7423 0.9418 1.2491 2.8133 0.7458 1.3849 0.7363 1.8764 0.9372 1.1895 1.1366 0.7395 1.1668 0.8075 1.2189 1.2512 1.6602 1.1672 0.8065 1.8533 0.9044 0.7583 0.9539 1.3252 0.9986 1.1393 uridine 0.7612 0.8494 1.1500 1.0007 0.7969 1.2544 0.9543 1.1012 0.9717 1.1558 0.9703 1.0390 0.9526 0.9677 0.9885 0.9778 0.8167 0.8973 1.3419 1.1378 1.1957 0.8243 0.9917 1.3773 1.0523 0.9504 0.8815 1.2216 0.8940 1.0220 1.2128 0.9533 1.0086 0.8138 1.2835 1.0865 1.0310 1.2483 0.9135 1.0982 1.1936 1.2401 1.0672 0.9224 0.8995 0.8885 0.8297 1.0384 0.8433 1.2211 0.9219 1.0601 1.1438 0.9205 1.0000 0.9120 1.2135 0.9146 1.2699 0.8829 0.8663 1.3198 0.8911 1.1755 0.8130 1.1408 0.9972 0.9491 1.1175 1.2229 0.9677 1.3785 1.0945 1.2649 0.8472 ursodeoxycholate 0.6640 0.4163 2.8384 0.3170 0.3794 1.3777 1.2747 0.4302 0.3033 3.1136 0.8534 1.4964 1.8642 0.5354 1.2951 0.9735 0.3913 0.0630 0.0630 0.0630 1.0807 1.8954 0.0630 0.4963 0.0630 1.0490 0.1450 0.6231 0.9386 0.3366 1.1842 2.9661 0.5105 0.1791 0.4199 2.9067 0.3279 1.6793 0.0630 0.0630 4.6876 1.2917 0.1957 0.4011 1.0578 1.4301 0.0630 0.8378 3.3171 2.0835 0.0630 1.4808 0.0630 0.8992 1.1940 0.6611 1.2030 2.2688 1.4530 0.4262 1.5515 0.5441 0.6716 6.3907 1.0718 2.8986 1.0420 0.5683 1.0265 0.6364 0.5597 0.6287 0.2744 5.1309 1.1892 ursodeoxycholate sulfate (1) 3.2917 2.7453 0.2940 0.2940 0.5826 4.6096 1.3166 0.6034 0.3555 1.5756 0.2940 1.1107 1.2258 0.2940 0.7179 0.2940 0.4725 1.8492 1.6759 1.7481 1.3699 0.3252 0.2940 1.3620 0.2940 1.6489 0.7474 0.2940 0.6986 0.2940 5.4626 2.0159 1.5259 0.5921 0.3716 0.2940 0.7691 0.7936 0.6705 0.9082 0.9733 0.9753 0.9852 2.3061 0.2940 13.5379 0.2940 0.5581 1.3156 0.2940 1.0489 0.2940 0.5541 6.5343 0.5574 1.9557 0.4663 0.5064 1.3476 2.5836 0.2940 0.5326 0.4291 0.2940 0.2940 1.4551 6.3441 0.2940 1.0921 0.6434 0.6597 1.4826 0.6569 1.0000 0.2940 valerate 0.4540 0.7385 0.4540 0.4540 0.4540 0.4540 0.4540 0.4540 0.6522 0.4540 0.4540 0.4540 0.4540 0.4818 0.6217 0.4540 0.7793 0.8663 0.6184 0.8054 0.8579 0.4540 0.8276 0.8988 0.4540 0.4540 0.4540 0.7724 0.4540 0.9503 0.4540 0.9716 0.7792 0.4540 0.7966 0.9279 0.4540 0.4540 0.4540 0.4540 0.4540 0.4540 0.4540 0.4540 0.4540 1.0025 1.1232 1.0995 0.4540 0.4540 0.4540 1.2223 0.4540 0.4540 0.8979 0.9820 1.2304 1.5755 1.3857 1.3277 0.9975 2.5620 2.5789 1.6164 1.8496 1.3147 1.6955 3.6676 0.4540 2.3765 2.9551 2.9942 5.6796 3.3233 3.0980 valine 0.6086 0.7264 1.0839 0.8239 1.0533 1.1594 1.1167 0.8644 0.8574 1.1611 1.0397 0.9544 0.9601 0.9528 1.0384 0.9837 0.8272 0.7131 1.2334 0.6941 1.0749 0.7431 1.1637 1.2030 1.1443 0.9887 0.7480 1.2047 1.0103 0.6993 1.0464 0.9811 0.9559 0.6378 1.0968 0.7739 0.9070 1.0763 0.6924 1.1446 1.2276 1.0703 0.8182 0.8717 0.8542 1.2066 0.7917 1.1875 1.0000 1.0795 0.9593 1.0973 1.4972 1.0722 1.0567 0.7829 1.2685 1.0355 1.2211 0.8833 0.9624 1.0584 0.8862 1.4922 0.6889 1.1759 1.0061 0.8859 1.3489 1.3123 0.9821 0.7726 1.3265 0.6258 0.9522 valylglutamine 0.7452 0.5230 1.0000 0.5230 0.7015 0.5230 0.5230 1.0275 0.7723 0.7161 1.3608 1.2131 0.9202 0.5230 1.0019 0.8426 1.2111 0.5230 0.6809 1.0472 0.7936 0.8927 0.6979 1.7973 0.5230 0.5230 0.5230 0.6971 1.2596 2.1346 0.8571 1.2633 0.6397 0.5230 0.5230 0.5230 1.0414 1.2007 2.2038 0.8693 2.7139 1.0860 0.5230 1.1638 1.6049 0.5230 1.0305 1.1077 1.6621 0.5230 0.5824 0.8689 0.5230 0.7504 0.9123 0.5230 1.6389 0.5230 0.6604 0.5230 0.5230 0.6300 0.5230 0.5230 0.5230 0.5230 0.5230 0.5830 0.5230 0.5230 0.8144 1.4560 0.5433 1.0073 1.3562 valylglycine 0.1616 2.1415 1.2804 0.7447 2.1175 1.4467 1.6686 0.6134 0.7257 0.8311 1.2494 1.0356 0.6010 0.9222 0.7093 0.9694 1.3116 0.9767 0.1616 0.7849 0.1616 0.4382 1.0000 1.7992 0.8740 0.1616 0.1616 0.8663 1.5951 2.0823 1.3619 0.6960 0.1616 0.3819 0.5259 0.3268 1.0586 1.2411 2.3570 1.4896 4.1359 0.6653 0.1616 2.3343 2.2807 14.5155 1.8532 0.6097 1.0754 4.7813 1.0295 0.6323 0.5396 0.1616 0.1616 0.1616 3.2195 0.1616 0.7323 0.1616 0.8474 0.9848 0.4566 0.1616 0.1616 0.1616 1.0154 0.1616 0.6741 1.9368 0.1616 3.5734 0.6611 0.7033 1.2499 valylleucine 0.8738 1.0346 1.3082 0.9296 1.3481 1.5867 1.4556 0.7609 0.9530 0.7740 1.0421 1.7013 0.7155 1.0601 0.9763 1.1491 1.4490 1.1253 1.5912 0.7237 1.2393 0.8858 1.3114 1.0546 0.6756 0.9329 0.4103 1.1851 1.1318 1.4215 1.0679 8.5715 0.7025 0.5355 0.6313 0.8317 1.0070 1.0109 1.3928 1.6004 1.7788 1.1377 0.5813 0.9581 1.1343 1.3144 0.7796 0.9634 1.2607 0.8358 0.8254 1.0244 1.0302 0.5562 0.8800 0.7149 1.2415 0.9998 0.9761 0.4004 0.9000 1.2707 0.8048 0.4234 0.5100 1.1073 1.1045 0.9348 1.1496 0.9669 0.7390 0.9559 1.3967 0.9157 1.0000 vanillactate 1.2260 0.6717 0.8503 1.0241 1.0675 1.1119 1.0794 0.5097 0.8730 1.5677 0.7171 1.0212 2.1618 0.5931 1.0439 1.3469 0.9697 1.6422 0.7300 1.8208 0.9223 0.8544 1.5642 1.0401 0.7743 1.0811 0.5097 1.3006 1.6690 1.4724 1.6319 0.9404 0.8741 0.8651 0.7174 0.6856 1.5122 1.1602 0.5097 0.9449 0.8982 0.6436 0.5097 0.5097 1.0521 1.0359 0.5097 0.8817 1.4412 0.9520 1.1582 0.5945 1.3385 0.9441 0.7902 1.2559 0.5097 0.5273 1.2688 0.9382 1.2765 1.0739 0.9788 0.6162 1.2237 0.8870 1.3065 1.9910 0.5097 0.6416 0.7314 0.9008 1.4369 0.7392 0.9024 vanillylmandelate (VMA) 0.7294 1.1418 1.0059 0.9359 1.3402 0.8980 1.3424 0.7736 1.3518 1.0105 1.1024 1.2096 1.6131 0.9293 1.6160 1.3154 1.8126 1.5312 1.0264 1.2177 1.1360 1.0325 0.8681 0.9597 1.2776 0.7436 0.8723 1.5706 1.0248 0.7551 0.8952 1.1837 1.0000 1.1722 1.3076 0.9966 1.1102 1.2867 0.7939 1.5386 0.9724 1.3321 1.0046 0.7430 0.9139 1.1761 0.4303 0.7270 1.4985 0.9748 0.8422 0.6734 0.6896 0.9504 1.0605 0.9164 0.6743 0.9443 1.4523 0.5807 0.8222 1.1559 1.0673 0.7383 1.3269 0.9545 1.3830 0.9413 0.6766 0.7717 0.6178 0.9958 1.5335 0.8234 0.7901 xanthine 0.7482 1.0286 0.6503 0.7592 0.9669 1.0001 1.1018 0.8504 0.8351 1.2348 1.3312 0.9260 1.1106 1.1951 0.9600 0.8664 1.0610 0.5837 0.9349 0.9280 1.1026 0.8219 1.3547 1.0926 1.7208 0.9430 0.8250 1.0603 1.0973 0.6293 0.8879 1.2229 1.0624 0.7116 1.1142 0.9797 1.2648 1.9500 0.7321 1.0247 0.7495 1.1355 1.0410 1.8548 1.0202 0.8589 1.1403 0.9017 0.7604 1.0210 1.0541 1.0157 0.4317 1.0948 0.8070 0.8787 0.9001 0.4798 1.0595 0.6852 0.5440 1.0403 0.6046 1.0600 0.6736 0.8477 0.9791 1.0414 1.0869 0.9837 1.0000 1.0445 1.3159 1.1204 0.8415 xanthosine 0.6271 0.5552 0.5552 0.5552 0.5552 1.2110 1.3153 0.5552 0.5552 1.0902 1.0897 0.8612 1.0693 1.0366 1.7027 0.9566 0.7549 1.0000 1.3951 1.7276 0.5552 0.5552 0.5552 1.0993 1.3512 0.5552 0.8548 0.5552 1.4080 0.5552 1.6331 0.8714 0.5552 0.5944 0.5552 1.3577 0.5552 0.5552 0.5552 0.5580 0.8236 0.8101 0.7097 0.5552 0.5552 0.5552 0.5552 0.7522 0.5552 1.0110 0.7615 0.5552 0.8589 1.5225 0.7115 0.7424 0.5552 0.5552 1.0405 0.5552 0.5552 0.5552 0.8425 0.5552 0.5552 0.5552 0.5552 1.7958 0.9800 0.6316 0.5552 1.1567 1.8725 0.5552 0.5552 xanthurenate 0.9285 0.3977 0.9969 2.2040 0.7708 1.4236 1.6475 0.8823 0.7921 0.9994 1.8871 0.4717 1.0868 0.4877 0.5952 1.0006 1.2226 0.6431 0.7582 0.5428 1.2186 0.2558 1.0542 2.1235 0.6996 0.6830 0.1489 0.8342 1.3970 0.3668 0.7137 1.5629 0.1489 0.2825 2.1015 0.2704 0.6121 1.7596 1.0546 0.9209 1.4324 1.3763 0.8581 0.9151 0.8779 1.0734 1.7175 1.1524 1.6182 1.3628 0.6680 1.7389 6.2762 1.4758 1.1318 0.2970 1.4656 0.9557 1.6910 0.9855 0.6636 1.5318 1.5484 1.4359 1.3224 2.1745 1.3375 1.6820 1.8467 0.9809 0.8943 0.5618 2.5970 0.2350 0.6256 ximenoylcarnitine (C26:1)* 0.6496 0.8556 0.7267 0.6318 2.7548 1.0432 1.3080 0.7736 0.5868 0.7837 1.8054 1.0023 0.8856 1.8094 1.8860 0.8699 1.0784 0.8542 1.3062 0.7885 1.0837 0.9685 1.3111 2.2006 1.3187 0.8920 1.3364 1.3365 0.9866 1.1813 0.8956 1.7426 0.7692 0.7901 1.1814 0.8377 0.9996 1.1155 1.4187 1.1241 1.1467 1.7476 0.8183 0.6561 0.8215 1.5450 0.4488 0.5339 0.8331 0.8157 0.6677 0.9694 1.2190 0.9926 1.2688 1.0051 2.0807 1.3223 0.8577 0.9684 1.6586 1.0818 1.2461 1.0000 0.9401 1.6238 1.7413 0.8790 0.9561 1.1354 0.7904 0.8485 1.1083 1.0466 0.8691 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER PATHWAY SUB PATHWAY COMP ID PLATFORM CHEMICAL ID RI MASS CAS PUBCHEM KEGG HMDB 1-(1-enyl-oleoyl)-2-linoleoyl-GPE (P-18:1/18:2)* Lipid Lysoplasmalogen 54999 LC/MS Pos Late 100009003 2324 726.54322 1-(1-enyl-oleoyl)-GPE (P-18:1)* Lipid Lysoplasmalogen 44621 LC/MS Pos Late 100005372 1566 464.3136 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* Lipid Plasmalogen 52689 LC/MS Pos Late 100009014 2154 766.57452 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* Lipid Plasmalogen 52673 LC/MS Pos Late 100009002 2270 724.52757 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* Lipid Plasmalogen 52682 LC/MS Pos Late 100009009 2226 742.57452 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* Lipid Plasmalogen 52677 LC/MS Pos Late 100009069 2351 700.52757 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* Lipid Plasmalogen 52478 LC/MS Pos Late 100009007 2443 744.59017 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* Lipid Plasmalogen 52477 LC/MS Pos Late 100009005 2600 702.54322 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* Lipid Plasmalogen 52713 LC/MS Pos Late 100009160 2218 716.55887 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* Lipid Plasmalogen 52716 LC/MS Pos Late 100009162 2454 718.57452 11146967 1-(1-enyl-palmitoyl)-GPC (P-16:0)* Lipid Lysoplasmalogen 52474 LC/MS Pos Late 100002875 1547 480.34485 10917802 1-(1-enyl-palmitoyl)-GPE (P-16:0)* Lipid Lysoplasmalogen 39270 LC/MS Pos Late 100003000 1558 438.2979 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* Lipid Plasmalogen 52475 LC/MS Pos Late 100008999 2511 752.55887 9547058 HMDB05779 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* Lipid Plasmalogen 52748 LC/MS Pos Late 100009225 2633 728.55887 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) Lipid Plasmalogen 52614 LC/MS Pos Late 100008919 2950 730.57452 144371-68-6 1-(1-enyl-stearoyl)-GPE (P-18:0)* Lipid Lysoplasmalogen 39271 LC/MS Pos Late 100003001 1649 466.3292 1,2,3-benzenetriol sulfate (1) Xenobiotics Chemical 48761 LC/MS Neg 100006373 1453 204.98123 1,2,3-benzenetriol sulfate (2) Xenobiotics Chemical 48762 LC/MS Neg 100006374 1709 204.98123 1,2-dilinoleoyl-GPC (18:2/18:2) Lipid Phospholipid Metabolism 52603 LC/MS Pos Late 100008903 2006 782.56944 998-06-1 5288075 1,2-dilinoleoyl-GPE (18:2/18:2)* Lipid Phospholipid Metabolism 53174 LC/MS Pos Late 100009217 2083 740.52248 9546812 1,2-dipalmitoyl-GPC (16:0/16:0) Lipid Phospholipid Metabolism 19130 LC/MS Pos Late 100000657 2365 734.56944 63-89-8 452110 HMDB00564 1,2-dipalmitoyl-GPE (16:0/16:0)* Lipid Phospholipid Metabolism 57341 LC/MS Pos Late 100009204 2498 692.52248 11802774;445468 1,3,7-trimethylurate Xenobiotics Xanthine Metabolism 34404 LC/MS Neg 100001397 1985 209.06801 5415-44-1 79437 C16361 HMDB02123 1,3-dimethylurate Xenobiotics Xanthine Metabolism 32391 LC/MS Neg 100001106 1671.4 195.05236 944-73-0 70346 HMDB01857 1,5-anhydroglucitol (1,5-AG) Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 20675 LC/MS Neg 100000580 802 163.06119 154-58-5 64960 C07326 HMDB02712 1,7-dimethylurate Xenobiotics Xanthine Metabolism 34400 LC/MS Neg 100001399 1578.6 195.05236 33868-03-0 91611 C16356 HMDB11103 10-heptadecenoate (17:1n7) Lipid Long Chain Fatty Acid 33971 LC/MS Neg 100001278 5555 267.23295 29743-97-3 5312435 HMDB60038 10-nonadecenoate (19:1n9) Lipid Long Chain Fatty Acid 33972 LC/MS Neg 100001277 5780 295.26425 73033-09-7 5312513 HMDB13622 10-undecenoate (11:1n1) Lipid Medium Chain Fatty Acid 32497 LC/MS Neg 100001197 5085.8 183.13905 1333-28-4 11-ketoetiocholanolone glucuronide Lipid Steroid 47135 LC/MS Neg 100005402 4280 479.22865 17181-16-7 12,13-DiHOME Lipid Fatty Acid, Dihydroxy 38395 LC/MS Neg 62 5137 313.23843 263399-35-5 10236635 C14829 HMDB04705 12-HETE Lipid Eicosanoid 37536 LC/MS Neg 100002167 5326 319.22786 71030-37-0;73837-14-6 5312983 HMDB06111 13-HODE + 9-HODE Lipid Fatty Acid, Monohydroxy 37752 LC/MS Neg 100002196 5275 295.22825 43013 13-methylmyristate Lipid Fatty Acid, Branched 38293 LC/MS Neg 100002344 5499 241.2173 2485-71-4 151014 14-HDoHE/17-HDoHE Lipid Fatty Acid, Monohydroxy 53034 LC/MS Neg 100009278 5296 343.22786 16a-hydroxy DHEA 3-sulfate Lipid Steroid 38168 LC/MS Neg 100002126 4240 383.15338 16-hydroxypalmitate Lipid Fatty Acid, Monohydroxy 39609 LC/MS Neg 100002953 5236.2 271.22786 506-13-8 10466 C18218 HMDB06294 17alpha-hydroxypregnanolone glucuronide Lipid Steroid 47403 LC/MS Neg 100005418 5071.9 509.2756 17alpha-hydroxypregnenolone 3-sulfate Lipid Steroid 37482 LC/MS Neg 100002128 4800 411.18468 28901-70-4 152971 HMDB00416 17-methylstearate Lipid Fatty Acid, Branched 38296 LC/MS Neg 100002356 5993 297.2799 2724-59-6 3083779 1-arachidonoyl-GPC (20:4n6)* Lipid Lysolipid 33228 LC/MS Pos Late 100001551 1460 544.33977 C05208 HMDB10395 1-arachidonoyl-GPE (20:4n6)* Lipid Lysolipid 35186 LC/MS Pos Late 100001571 1470 502.29282 42607465 HMDB11517 1-arachidonoyl-GPI (20:4)* Lipid Lysolipid 34214 LC/MS Neg 100001654 5482 619.28888 HMDB61690 1-arachidonylglycerol (20:4) Lipid Monoacylglycerol 34397 LC/MS Neg 100001433 6250 303.23293 35474-99-8 5282281 C13857 HMDB11572 1-lignoceroyl-GPC (24:0) Lipid Lysolipid 49617 LC/MS Pos Late 100002873 1907 608.46497 325171-59-3 1-linolenoyl-GPC (18:3)* Lipid Lysolipid 45951 LC/MS Pos Late 100005350 1422 518.32412 1-linolenoyl-GPE (18:3)* Lipid Lysolipid 57509 LC/MS Pos Late 100005714 1420 476.27717 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* Lipid Phospholipid Metabolism 52710 LC/MS Pos Late 100009131 1969 806.56944 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* Lipid Phospholipid Metabolism 53176 LC/MS Pos Late 100009343 1939 780.55378 1-linoleoylglycerol (18:2) Lipid Monoacylglycerol 27447 LC/MS Neg 100001040 6477 279.23293 2277-28-3 5283469 1-linoleoyl-GPA (18:2)* Lipid Lysolipid 52690 LC/MS Polar 100009082 1441 433.23606 HMDB07856 1-linoleoyl-GPC (18:2) Lipid Lysolipid 34419 LC/MS Pos Late 100001395 1465 520.33977 11988421 C04100 HMDB10386 1-linoleoyl-GPE (18:2)* Lipid Lysolipid 36600 LC/MS Pos Late 100001570 1482 478.29282 52925130 HMDB11507 1-linoleoyl-GPG (18:2)* Lipid Lysolipid 54885 LC/MS Neg 100009227 5516 507.27284 1-linoleoyl-GPI (18:2)* Lipid Lysolipid 36594 LC/MS Neg 100001778 5494 595.28888 N1-methyladenosine Nucleotide Purine Metabolism, Adenine containing 15650 LC/MS Pos Early 1242 2120 282.11969 15763-06-1 27476 C02494 HMDB03331 1-methylhistidine Amino Acid Histidine Metabolism 30460 LC/MS Pos Early 100001051 2755 170.09241 332-80-9 92105 C01152 HMDB00001 1-methylimidazoleacetate Amino Acid Histidine Metabolism 32350 LC/MS Pos Early 100001208 2064 141.06586 2625-49-2 75810 C05828 HMDB02820 1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos Early 55 1940 137.07094 1005-24-9 10129985 C02918 HMDB00699 1-methylurate Xenobiotics Xanthine Metabolism 34395 LC/MS Neg 100001400 1099 181.03671 708-79-2 69726 C16359 HMDB03099 1-methylxanthine Xenobiotics Xanthine Metabolism 34389 LC/MS Neg 100001405 1568.8 165.0418 6136-37-4 80220 C16358 HMDB10738 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* Lipid Phospholipid Metabolism 52453 LC/MS Pos Late 100008981 2165 784.58509 1-oleoylglycerol (18:1) Lipid Monoacylglycerol 21184 LC/MS Neg 100000924 6650 281.24858 111-03-5 5283468 HMDB11567 1-oleoyl-GPC (18:1) Lipid Lysolipid 48258 LC/MS Pos Late 100001272 1540 522.35542 19420-56-5 16081932 HMDB02815 1-oleoyl-GPE (18:1) Lipid Lysolipid 35628 LC/MS Pos Late 100001569 1554 480.30847 89576-29-4 9547071 HMDB11506 1-oleoyl-GPG (18:1)* Lipid Lysolipid 45968 LC/MS Neg 100005716 5610 509.28849 1-oleoyl-GPI (18:1)* Lipid Lysolipid 36602 LC/MS Neg 100001777 5599 597.30453 1-palmitoleoylglycerol (16:1)* Lipid Monoacylglycerol 52431 LC/MS Neg 100008952 6094 253.21727 1-palmitoleoyl-GPC (16:1)* Lipid Lysolipid 33230 LC/MS Pos Late 100001511 1450 494.32412 24779461 HMDB10383 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) Lipid Phospholipid Metabolism 52462 LC/MS Pos Late 100008914 2091 782.56944 35418-58-7 10747814 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* Lipid Phospholipid Metabolism 52464 LC/MS Pos Late 100008990 2198 740.52248 9546800 HMDB05323 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* Lipid Phospholipid Metabolism 52467 LC/MS Pos Late 100008993 2567 876.55966 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* Lipid Phospholipid Metabolism 54812 LC/MS Pos Late 100009154 2034 756.55378 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) Lipid Phospholipid Metabolism 42446 LC/MS Pos Late 1537 2160 758.56944 40811-94-7 5287971 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) Lipid Phospholipid Metabolism 42449 LC/MS Pos Late 100001870 2275 716.52248 9546747 HMDB05322 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) Lipid Phospholipid Metabolism 52450 LC/MS Pos Late 1528 2730 852.55966 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) Lipid Phospholipid Metabolism 52461 LC/MS Pos Late 1539 2358 760.58509 26853-31-6;26853-31-6 6436017 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) Lipid Phospholipid Metabolism 19263 LC/MS Pos Late 1526 2509 718.53813 26662-94-2 5283496 HMDB05320 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* Lipid Phospholipid Metabolism 52669 LC/MS Pos Late 100009066 3140 854.57531 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* Lipid Phospholipid Metabolism 52470 LC/MS Pos Late 100008984 2160 732.55378 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) Lipid Phospholipid Metabolism 52616 LC/MS Pos Late 100008921 2653 762.60074 59403-51-9 1-palmitoylglycerol (16:0) Lipid Monoacylglycerol 21127 LC/MS Neg 100000827 6550 255.23293 542-44-9 14900 HMDB31074 1-palmitoyl-GPC (16:0) Lipid Lysolipid 33955 LC/MS Pos Late 100001263 1525 496.33977 17364-16-8 86554 HMDB10382 1-palmitoyl-GPE (16:0) Lipid Lysolipid 35631 LC/MS Pos Late 100001567 1544 454.29282 53862-35-4 9547069 HMDB11503 1-palmitoyl-GPG (16:0)* Lipid Lysolipid 45970 LC/MS Neg 100005717 5570 483.27284 3300276 1-palmitoyl-GPI (16:0) Lipid Lysolipid 35305 LC/MS Neg 100001655 5564 571.28888 HMDB61695 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) Lipid Phospholipid Metabolism 42450 LC/MS Pos Late 100001869 2300 810.60074 35418-59-8 16219824 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) Lipid Phospholipid Metabolism 52447 LC/MS Pos Late 100008977 2424 768.55378 5289133 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) Lipid Phospholipid Metabolism 52449 LC/MS Pos Late 100000616 3000 904.59096 383907-33-3 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) Lipid Phosphatidylserine (PS) 52235 LC/MS Pos Late 100001872 2565 812.54361 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* Lipid Phospholipid Metabolism 52452 LC/MS Pos Late 100008980 2380 786.60074 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* Lipid Phospholipid Metabolism 52446 LC/MS Pos Late 100008976 2522 744.55378 9546749 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) Lipid Phospholipid Metabolism 52468 LC/MS Pos Late 100008994 3185 880.59096 1-stearoyl-2-oleoyl-GPC (18:0/18:1) Lipid Phospholipid Metabolism 52438 LC/MS Pos Late 100008904 2644 788.61639 56421-10-4 1-stearoyl-2-oleoyl-GPE (18:0/18:1) Lipid Phospholipid Metabolism 42448 LC/MS Pos Late 100001856 2858 746.56944 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* Lipid Phospholipid Metabolism 52726 LC/MS Pos Late 100009181 3711 882.60661 1-stearoyl-2-oleoyl-GPS (18:0/18:1) Lipid Phosphatidylserine (PS) 19265 LC/MS Pos Late 100000639 3000 790.55926 9547087 1-stearoyl-GPC (18:0) Lipid Lysolipid 33961 LC/MS Pos Late 100001271 1606 524.37107 19420-57-6 497299 HMDB10384 1-stearoyl-GPE (18:0) Lipid Lysolipid 42398 LC/MS Pos Late 100001461 1626 482.32412 69747-55-3 9547068 HMDB11130 1-stearoyl-GPI (18:0) Lipid Lysolipid 19324 LC/MS Neg 100000656 5794.3 599.32018 796963-93-4 HMDB61696 1-stearoyl-GPS (18:0)* Lipid Lysolipid 45966 LC/MS Neg 100004327 5800 524.29939 9547101 2,3-dihydroxyisovalerate Xenobiotics Food Component/Plant 38276 LC/MS Polar 100002417 1050 133.05063 1756-18-9 677 C04039 HMDB12141 21-hydroxypregnenolone disulfate Lipid Steroid 46115 LC/MS Neg 100001999 3935 245.06711 1164-98-3 134595 C05485 HMDB04026 21-hydroxypregnenolone monosulfate (1) Lipid Steroid 37174 LC/MS Neg 100002003 4624 411.18468 88378-34-1 174681 2-acetamidophenol sulfate Xenobiotics Drug 48580 LC/MS Neg 100006190 2251 230.01286 40712-60-5 181671 2-aminobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42374 LC/MS Pos Early 1128 2059 104.07061 1492-24-6 439691 C02261 HMDB00650 2-aminoheptanoate Lipid Fatty Acid, Amino 43761 LC/MS Pos Early 100004542 3160 146.11756 1115-90-8 227939 2-aminooctanoate Lipid Fatty Acid, Amino 43343 LC/MS Pos Late 100004227 750 160.13321 644-90-6 69522 HMDB00991 2-aminophenol sulfate Xenobiotics Chemical 43266 LC/MS Neg 100004322 1677 188.0023 181670 HMDB61116 2-arachidonoylglycerol (20:4) Lipid Monoacylglycerol 19266 LC/MS Neg 100000584 6170 303.23293 53847-30-6 5282280 C13856 HMDB04666 2'-deoxyuridine Nucleotide Pyrimidine Metabolism, Uracil containing 1412 LC/MS Neg 536 1586 111.01997 951-78-0 13712 C00526 HMDB00012 2-hydroxy-3-methylvalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 36746 LC/MS Neg 100001541 1800 131.07136 488-15-3 164623 HMDB00317 2-hydroxyacetaminophen sulfate* Xenobiotics Drug 33173 LC/MS Neg 100001791 1674 246.00778 2-hydroxybutyrate/2-hydroxyisobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 52281 LC/MS Polar 100008928 1258 103.04006 2-hydroxydecanoate Lipid Fatty Acid, Monohydroxy 42489 LC/MS Neg 100004089 4840 187.13396 5393-81-7 21488 2-hydroxyglutarate Lipid Fatty Acid, Dicarboxylate 52294 LC/MS Pos Early 100002070 958 166.071 40951-21-1 43 C02630 HMDB00606 2-hydroxyhippurate (salicylurate) Xenobiotics Benzoate Metabolism 18281 LC/MS Neg 1869 2184 194.04588 487-54-7 10253 C07588 HMDB00840 2-hydroxyibuprofen Xenobiotics Drug 43330 LC/MS Neg 100004169 3462 221.11831 51146-55-5 2-hydroxylaurate Lipid Fatty Acid, Monohydroxy 52916 LC/MS Neg 100008934 5211 215.16526 2984-55-6 97783 2-hydroxyoctanoate Lipid Fatty Acid, Monohydroxy 22036 LC/MS Neg 100000743 3736.8 159.10266 617-73-2 94180 HMDB02264 2-hydroxypalmitate Lipid Fatty Acid, Monohydroxy 35675 LC/MS Neg 100001579 5511.2 271.22786 764-67-0 92836 HMDB31057 2-hydroxyphenylacetate Amino Acid Phenylalanine and Tyrosine Metabolism 1432 LC/MS Polar 235 858.6 151.04006 614-75-5 11970 C05852 HMDB00669 2-hydroxystearate Lipid Fatty Acid, Monohydroxy 17945 LC/MS Neg 1239 5695 299.25917 629-22-1 69417 C03045 2-keto-3-deoxy-gluconate Xenobiotics Food Component/Plant 48141 LC/MS Polar 100005946 1900 177.04046 17510-99-5 161227 HMDB01353 2-linoleoylglycerol (18:2) Lipid Monoacylglycerol 32506 LC/MS Neg 100000987 6250 279.23293 3443-82-1 5365676 HMDB11538 2-methoxyacetaminophen glucuronide* Xenobiotics Drug 33161 LC/MS Neg 100001795 1633 356.0987 2-methoxyacetaminophen sulfate* Xenobiotics Drug 47031 LC/MS Neg 100001793 1949 260.02343 2-methylbutyrylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos Early 100001509 3035 246.16999 31023-25-3 6426901 HMDB00378 2-methylbutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 31928 LC/MS Pos Early 100001155 2000 160.09682 52320-67-9 193872 HMDB00339 2-methylcitrate/homocitrate Energy TCA Cycle 52282 LC/MS Neg 100008929 575 205.03538 2-methylmalonylcarnitine (C4-DC) Lipid Fatty Acid Synthesis 35482 LC/MS Pos Early 100001596 2440 262.12852 149181-64-6 53481628 HMDB13133 2-oleoylglycerol (18:1) Lipid Monoacylglycerol 21232 LC/MS Neg 100000943 6500 281.24858 3443-84-3 5319879 2'-O-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 57554 LC/MS Pos Early 100010895 2411 258.10845 2140-72-9 150971 2-oxindole-3-acetate Xenobiotics Food Component/Plant 40479 LC/MS Pos Early 100003109 2378 192.06552 2971-31-5 3080590 2-oxoarginine* Amino Acid Urea cycle; Arginine and Proline Metabolism 55072 LC/MS Pos Early 100002784 1760 174.08732 10/4/3715 558 C03771 HMDB04225 2-palmitoleoyl-GPC (16:1)* Lipid Lysolipid 35819 LC/MS Pos Late 100001561 1425 494.32412 2-palmitoyl-GPC (16:0)* Lipid Lysolipid 35253 LC/MS Pos Late 100001562 1505 496.33977 15061532 HMDB61702 2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.07569 675-20-7 12665 2-stearoyl-GPE (18:0)* Lipid Lysolipid 41220 LC/MS Neg 100003901 6350 480.30956 3-(3-hydroxyphenyl)propionate Amino Acid Phenylalanine and Tyrosine Metabolism 35635 LC/MS Neg 100001624 1980 165.05571 621-54-5 91 C11457 HMDB00375 3-(3-hydroxyphenyl)propionate sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 45415 LC/MS Neg 100005391 1294 245.01253 86321-32-6 187488 3-(4-hydroxyphenyl)lactate Amino Acid Phenylalanine and Tyrosine Metabolism 32197 LC/MS Neg 240 1379 181.05063 6482-98-0 9378 C03672 HMDB00755 3-(cystein-S-yl)acetaminophen* Xenobiotics Drug 34365 LC/MS Pos Early 100001797 2420 271.07471 5233914 3-(N-acetyl-L-cystein-S-yl) acetaminophen Xenobiotics Drug 45721 LC/MS Neg 2048 2094 311.07072 52372-86-8 83967 3,4-methyleneheptanoate Xenobiotics Food Component/Plant 53026 LC/MS Neg 100006651 3807 141.0921 3,4-methyleneheptanoylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 52929 LC/MS Neg 100009234 4096 346.18712 3,7-dimethylurate Xenobiotics Xanthine Metabolism 34399 LC/MS Neg 100001398 1418.2 195.05236 13087-49-5 83126 C16360 HMDB01982 3-acetylphenol sulfate Xenobiotics Chemical 48693 LC/MS Neg 100004326 2477 215.00196 3-aminoisobutyrate Nucleotide Pyrimidine Metabolism, Thymine containing 1566 LC/MS Pos Early 1114 2215 104.07061 10569-72-9;214139-20-5 64956 C05145 HMDB03911 3beta,7alpha-dihydroxy-5-cholestenoate Lipid Sterol 36803 LC/MS Neg 100001611 5275 431.31668 115538-84-6 3081084 C17335 3beta-hydroxy-5-cholestenoate Lipid Sterol 54805 LC/MS Neg 100006370 5398 415.32177 6561-58-6 3b-hydroxy-5-cholenoic acid Lipid Secondary Bile Acid Metabolism 43507 LC/MS Neg 100004182 5205 373.27482 5255-17-4 92997 HMDB00308 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) Lipid Fatty Acid, Dicarboxylate 31787 LC/MS Neg 100001178 2840 239.09249 86879-39-2 123979 HMDB61112 3-hydroxy-2-ethylpropionate Amino Acid Leucine, Isoleucine and Valine Metabolism 32397 LC/MS Neg 100001170 975 117.05571 4374-62-3 188979 HMDB00396 3-hydroxy-3-methylglutarate Lipid Mevalonate Metabolism 531 LC/MS Polar 112 2700 161.04555 503-49-1 1662 C03761 HMDB00355 3-hydroxybutyrate (BHBA) Lipid Ketone Bodies 542 LC/MS Polar 254 1443.3 103.04007 625-72-9 441 C01089 HMDB00357 3-hydroxybutyrylcarnitine (1) Lipid Fatty Acid Metabolism(Acyl Carnitine) 43264 LC/MS Pos Early 100003926 2400 248.14925 53481617 HMDB13127 3-hydroxybutyrylcarnitine (2) Lipid Fatty Acid Metabolism(Acyl Carnitine) 52984 LC/MS Pos Early 100009271 2340 248.14925 3-hydroxycotinine glucuronide Xenobiotics Tobacco Metabolite 43470 LC/MS Neg 100004494 1745 367.11469 132929-88-5 183115 3-hydroxydecanoate Lipid Fatty Acid, Monohydroxy 22053 LC/MS Neg 100000997 4634.7 187.13396 5561-87-5 26612 HMDB02203 3-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 53230 LC/MS Neg 100006367 1725 131.07136 10191-24-9 151492 3-hydroxyhippurate Xenobiotics Benzoate Metabolism 39600 LC/MS Neg 100002122 1687 194.04588 1637-75-8 450268 HMDB06116 3-hydroxyisobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 1549 LC/MS Polar 111 1619 103.04007 2068-83-9 87 C06001 HMDB00336 3-hydroxylaurate Lipid Fatty Acid, Monohydroxy 32457 LC/MS Neg 100001112 5175 215.16526 53941-38-1 94216 HMDB00387 3-hydroxyoctanoate Lipid Fatty Acid, Monohydroxy 22001 LC/MS Neg 100000773 3446 159.10266 88930-08-9 26613 HMDB01954 3-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 38635 LC/MS Pos Early 100002089 1243 132.06552 4298-05-9;4298-08-2 559314 C05147 HMDB02113 3-hydroxypyridine sulfate Xenobiotics Chemical 48448 LC/MS Neg 100006098 1595.5 173.98665 1955-23-3 3-hydroxysebacate Lipid Fatty Acid, Monohydroxy 31943 LC/MS Neg 100001145 1282 217.10814 73141-46-5 3017884 HMDB00350 3-hydroxystearate Lipid Fatty Acid, Monohydroxy 52938 LC/MS Neg 100008933 5674 299.25917 45261-96-9 5282907 3-indoxyl sulfate Amino Acid Tryptophan Metabolism 27672 LC/MS Neg 100000467 2222.2 212.0023 2642-37-7 10258 HMDB00682 3-methoxycatechol sulfate (1) Xenobiotics Benzoate Metabolism 48763 LC/MS Neg 100006375 2163 218.99688 3-methoxycatechol sulfate (2) Xenobiotics Benzoate Metabolism 48752 LC/MS Neg 100006376 2200 218.99688 3-methoxytyramine sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 44618 LC/MS Neg 100004634 1722 246.04416 3-methoxytyrosine Amino Acid Phenylalanine and Tyrosine Metabolism 12017 LC/MS Pos Early 1342 2555 212.09174 300-48-1 1670 HMDB01434 3-methyl catechol sulfate (1) Xenobiotics Benzoate Metabolism 46165 LC/MS Neg 100004112 2790 203.00196 3-methyl-2-oxobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 44526 LC/MS Neg 100000936 1465 115.04006 3715-29-5 49 C00141 HMDB00019 3-methyl-2-oxovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 15676 LC/MS Neg 100000036 2064.2 129.05572 1460-34-0;51829-07-3 47 C00671 HMDB03736 3-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35132 LC/MS Pos Early 100001466 2176 258.10845 21028-20-6 159649 3-methylglutaconate Amino Acid Leucine, Isoleucine and Valine Metabolism 38667 LC/MS Polar 100002458 2579.6 143.03498 5746-90-7 1551553 HMDB00522 3-methylglutarate/2-methylglutarate Lipid Fatty Acid, Dicarboxylate 54676 LC/MS Polar 100010834 2832 145.05063 3-methylglutarylcarnitine (2) Amino Acid Leucine, Isoleucine and Valine Metabolism 46548 LC/MS Pos Early 100005850 2675 290.15982 128145 HMDB00552 3-methylhistidine Amino Acid Histidine Metabolism 15677 LC/MS Neg 100000042 906.3 168.07785 368-16-1 64969 C01152 HMDB00479 3-methylurate* Xenobiotics Xanthine Metabolism 48252 LC/MS Neg 100004049 1024 181.03671 605-99-2 11804 3-methylxanthine Xenobiotics Xanthine Metabolism 32445 LC/MS Neg 100001108 1700 165.0418 1076-22-8 70639 C16357 HMDB01886 3-phenylpropionate (hydrocinnamate) Amino Acid Phenylalanine and Tyrosine Metabolism 15749 LC/MS Neg 100000010 2860 149.0608 501-52-0 107 C05629 HMDB00764 3-phosphoglycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1414 LC/MS Pos Early 132 590 187.00022 80731-10-8 724 C00597 HMDB00807 3-ureidopropionate Nucleotide Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos Early 1053 875 133.06077 462-88-4 111 C02642 HMDB00026 4-acetamidobutanoate Amino Acid Polyamine Metabolism 1558 LC/MS Pos Early 1113 1350 146.08117 3025-96-5 18189 C02946 HMDB03681 4-acetamidophenol Xenobiotics Drug 12032 LC/MS Neg 1383 2173.7 150.05605 103-90-2 1983 C06804 HMDB01859 4-acetamidophenylglucuronide Xenobiotics Drug 15736 LC/MS Neg 100000043 1400 326.08814 120595-80-4 83944 HMDB10316 4-acetaminophen sulfate Xenobiotics Drug 37475 LC/MS Neg 2049 1792 230.01287 10066-90-7;32113-41-0 83939 C06804 HMDB59911 4-acetylphenol sulfate Xenobiotics Drug 44620 LC/MS Neg 100000711 2375 215.00196 4684006 4-allylphenol sulfate Xenobiotics Food Component/Plant 37181 LC/MS Neg 100001868 3805 213.0227 4-cholesten-3-one Lipid Sterol 38125 LC/MS Pos Late 100002227 2520 385.3465 601-57-0 91477 C00599 HMDB00921 4-ethylphenylsulfate Xenobiotics Benzoate Metabolism 36099 LC/MS Neg 100001756 3580 201.0227 123-07-9 C13637 4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos Early 100000096 2320 146.09241 463-003;463-00-3 500 C01035 HMDB03464 4-hydroxy-2-oxoglutaric acid Lipid Fatty Acid, Dicarboxylate 40062 LC/MS Polar 100002537 3073 161.00916 1187-99-1 599 C01127 HMDB02070 4-hydroxychlorothalonil Xenobiotics Chemical 48441 LC/MS Neg 100006082 4427 244.90817 28343-61-5 34217 4-hydroxycoumarin Xenobiotics Drug 37445 LC/MS Neg 100002049 2470 161.02441 1076-38-6 54682930 C20414 4-hydroxyglutamate Amino Acid Glutamate Metabolism 40499 LC/MS Pos Early 100002544 1141 164.05535 2485-33-8 439902 C03079 HMDB01344 4-hydroxyhippurate Xenobiotics Benzoate Metabolism 35527 LC/MS Neg 100001423 1475 194.04588 2482-25-9 151012 HMDB13678 4-hydroxyphenylacetylglutamine Peptide Acetylated Peptides 55017 LC/MS Neg 100010850 1650 279.09864 4-hydroxyphenylpyruvate Amino Acid Phenylalanine and Tyrosine Metabolism 1669 LC/MS Neg 1141 1690.1 179.03498 156-39-8 979 C01179 HMDB00707 4-imidazoleacetate Amino Acid Histidine Metabolism 32349 LC/MS Pos Early 100001207 2055 127.05021 645-65-8 96215 C02835 HMDB02024 4-methyl-2-oxopentanoate Amino Acid Leucine, Isoleucine and Valine Metabolism 22116 LC/MS Neg 100000551 2170 129.05571 816-66-0 70 C00233 HMDB00695 4-methylcatechol sulfate Xenobiotics Benzoate Metabolism 46146 LC/MS Neg 100004111 2665 203.00196 4-vinylguaiacol sulfate Xenobiotics Food Component/Plant 48442 LC/MS Neg 100006126 3354 229.01761 4-vinylphenol sulfate Xenobiotics Benzoate Metabolism 36098 LC/MS Neg 100001755 3320 199.00705 2628-17-3 6426766 C05627 HMDB04072 5-(galactosylhydroxy)-L-lysine Amino Acid Lysine Metabolism 43582 LC/MS Pos Early 100002462 2755 325.16055 32448-36-5 5,6-dihydrothymine Nucleotide Pyrimidine Metabolism, Thymine containing 1418 LC/MS Neg 158 1637.8 127.0513 696-04-8 93556 C00906 HMDB00079 5-acetylamino-6-amino-3-methyluracil Xenobiotics Xanthine Metabolism 34424 LC/MS Polar 100001403 1710 197.06801 1196153-01-1 88299 C16366 HMDB04400 5-acetylamino-6-formylamino-3-methyluracil Xenobiotics Xanthine Metabolism 34401 LC/MS Polar 100001402 1424 225.06292 85438-96-6 108214 C16365 HMDB11105 5alpha-androstan-3alpha, 17beta-diol 17-glucosiduronate Lipid Steroid 47132 LC/MS Neg 100005396 4930 467.26504 5alpha-androstan-3alpha,17alpha-diol monosulfate Lipid Steroid 37183 LC/MS Neg 100002008 5208 371.18976 5alpha-androstan-3alpha,17beta-diol disulfate Lipid Steroid 37184 LC/MS Neg 100002017 4275 225.06965 5alpha-androstan-3alpha,17beta-diol monosulfate (1) Lipid Steroid 37186 LC/MS Neg 100002018 4925 371.18976 5alpha-androstan-3alpha,17beta-diol monosulfate (2) Lipid Steroid 37185 LC/MS Neg 100006005 5080 371.18976 5alpha-androstan-3beta,17alpha-diol disulfate Lipid Steroid 37187 LC/MS Neg 100002021 4215 225.06965 5alpha-androstan-3beta,17beta-diol disulfate Lipid Steroid 37190 LC/MS Neg 100001987 3880 225.06965 571-20-0 242332 C12525 HMDB00493 5alpha-androstan-3beta,17beta-diol monosulfate (2) Lipid Steroid 37192 LC/MS Neg 100002024 4685 371.18976 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate Lipid Steroid 46172 LC/MS Neg 100002015 4310 239.0853 5127902 5alpha-pregnan-3beta,20alpha-diol disulfate Lipid Steroid 37198 LC/MS Neg 100001988 3962 239.0853 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) Lipid Steroid 37200 LC/MS Neg 100002014 5060 399.22106 5alpha-pregnan-3beta,20beta-diol monosulfate (1) Lipid Steroid 37196 LC/MS Neg 100002009 5180 399.22106 5-bromotryptophan Amino Acid Phenylalanine and Tyrosine Metabolism 53242 LC/MS Neg 100009338 3525 280.99311 96735 5-dodecenoate (12:1n7) Lipid Medium Chain Fatty Acid 33968 LC/MS Neg 100001232 5224 197.1547 2430-94-6 5312378 HMDB00529 5-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 31938 LC/MS Neg 100001148 1267 131.07136 44843-89-2 170748 HMDB00525 5-hydroxyindoleacetate Amino Acid Tryptophan Metabolism 437 LC/MS Neg 71 1510.2 190.05096 54-16-0 1826 C05635 HMDB00763 5-hydroxylysine Amino Acid Lysine Metabolism 15685 LC/MS Pos Early 100000054 2790 163.10772 13204-98-3 1029 C16741 HMDB00450 5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism 1419 LC/MS Pos Early 212 2752 298.09684 2457-80-9 439176 C00170 HMDB01173 5-methyluridine (ribothymidine) Nucleotide Pyrimidine Metabolism, Uracil containing 35136 LC/MS Neg 100001446 1778.1 257.07791 1463-10-1 445408 HMDB00884 5-oxoproline Amino Acid Glutathione Metabolism 1494 LC/MS Neg 1021 738.5 128.03531 98-79-3 7405 C01879 HMDB00267 6-hydroxyindole sulfate Xenobiotics Chemical 48698 LC/MS Neg 100006260 2498 212.0023 6-oxopiperidine-2-carboxylate Amino Acid Lysine Metabolism 43231 LC/MS Neg 100004499 964.5 142.05096 34622-39-4 3014237 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) Lipid Sterol 36776 LC/MS Neg 100001609 5288.1 429.30103 115538-85-7 3081085 C17337 HMDB12458 7-hydroxyindole sulfate Amino Acid Tryptophan Metabolism 52915 LC/MS Neg 100009043 1765 212.0023 7-ketolithocholate Lipid Secondary Bile Acid Metabolism 43830 LC/MS Neg 100001069 5082 389.26973 4651-67-6 444262 HMDB00467 7-methylguanine Nucleotide Purine Metabolism, Guanine containing 35114 LC/MS Pos Early 100001456 2175 166.07234 578-76-7 11361 C02242 HMDB00897 7-methylurate Xenobiotics Xanthine Metabolism 39598 LC/MS Neg 100002241 1138 181.03671 612-37-3 69160 7-methylxanthine Xenobiotics Xanthine Metabolism 34390 LC/MS Pos Early 100001396 1350 167.05636 552-62-5 68374 C16353 HMDB01991 9,10-DiHOME Lipid Fatty Acid, Dihydroxy 38399 LC/MS Neg 179 5180 313.23843 263399-34-4 9966640 C14828 HMDB04704 9-hydroxystearate Lipid Fatty Acid, Monohydroxy 47120 LC/MS Neg 100005834 5384 299.25917 25498-28-6 9570127 acesulfame Xenobiotics Food Component/Plant 48569 LC/MS Neg 100006203 1581 161.98665 55589-62-3 acetoacetate Lipid Ketone Bodies 33963 LC/MS Pos Early 1218 1062 103.03898 11/2/3483 96 C00164 HMDB00060 acetylcarnitine (C2) Lipid Fatty Acid Metabolism(Acyl Carnitine) 32198 LC/MS Pos Early 100000802 2282 204.12304 5080-50-2 1 C02571 HMDB00201 acisoga Amino Acid Polyamine Metabolism 43258 LC/MS Neg 100004541 2297 183.1139 106692-36-8 129397 aconitate [cis or trans] Energy TCA Cycle 46173 LC/MS Neg 100001359 580 173.00916 C00417 HMDB00072 adenine Nucleotide Purine Metabolism, Adenine containing 554 LC/MS Pos Early 880 2221 136.06178 73-24-5 190 C00147 HMDB00034 adenosine Nucleotide Purine Metabolism, Adenine containing 555 LC/MS Neg 798 2075.4 134.0472 58-61-7 60961 C00212 HMDB00050 adenosine 3',5'-cyclic monophosphate (cAMP) Nucleotide Purine Metabolism, Adenine containing 2831 LC/MS Neg 207 1952.2 328.04524 60-92-4 6076 C00575 HMDB00058 adipate Lipid Fatty Acid, Dicarboxylate 21134 LC/MS Polar 100000863 3000 145.05063 124-04-9 196 C06104 HMDB00448 adipoylcarnitine (C6-DC) Lipid Fatty Acid Metabolism(Acyl Carnitine) 52988 LC/MS Pos Early 100006614 2558 290.15982 adrenate (22:4n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 32980 LC/MS Neg 100001193 5678 331.26425 2091-25-0 5497181 C16527 HMDB02226 adrenoylcarnitine (C22:4)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57528 LC/MS Pos Late 100015850 1415 476.37343 alanine Amino Acid Alanine and Aspartate Metabolism 1126 LC/MS Pos Early 811 1700 90.05496 56-41-7 5950 C00041 HMDB00161 allantoin Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1107 LC/MS Polar 1002 1672 157.03671 97-59-6 204 C02350 HMDB00462 alliin Xenobiotics Food Component/Plant 41494 LC/MS Pos Early 100003473 1470 178.05324 556-27-4 87310 C08265 HMDB33592 alpha-CEHC Cofactors and Vitamins Tocopherol Metabolism 48188 LC/MS Neg 100002206 4045 277.14453 4072-32-6 9943542 HMDB01518 alpha-CEHC glucuronide* Cofactors and Vitamins Tocopherol Metabolism 39346 LC/MS Neg 100003101 2616 453.17662 477200-36-5 alpha-CEHC sulfate Cofactors and Vitamins Tocopherol Metabolism 47666 LC/MS Neg 100005972 3090 357.10134 alpha-hydroxyisocaproate Amino Acid Leucine, Isoleucine and Valine Metabolism 22132 LC/MS Neg 100000706 1840 131.07136 10303-64-7 83697 C03264 HMDB00746 alpha-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 33937 LC/MS Neg 100001300 1126 117.05571 600-37-3 99823 HMDB00407 alpha-ketobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 4968 LC/MS Polar 796 940 101.02442 600-18-0 58 C00109 HMDB00005 alpha-ketoglutarate Energy TCA Cycle 528 LC/MS Polar 93 2700 145.01425 305-72-6;328-50-7;22202-68-2 51 C00026 HMDB00208 alpha-tocopherol Cofactors and Vitamins Tocopherol Metabolism 1561 LC/MS Pos Late 1105 2522 430.37818 59-02-9;10191-41-0 14985 C02477 HMDB01893 adenosine 5'-monophosphate (AMP) Nucleotide Purine Metabolism, Adenine containing 32342 LC/MS Pos Early 209 1013 348.07037 149022-20-8 6083 C00020 HMDB00045 andro steroid monosulfate (1)* Lipid Steroid 32827 LC/MS Neg 100002152 3871 383.1534 C04555 HMDB02759 androstenediol (3alpha, 17alpha) monsulfate (2) Lipid Steroid 37207 LC/MS Neg 100002026 4712 369.17411 androstenediol (3alpha, 17alpha) monsulfate (3) Lipid Steroid 37209 LC/MS Neg 100002027 5180 369.17411 androstenediol (3beta,17beta) disulfate (1) Lipid Steroid 37202 LC/MS Neg 100001992 3740 224.06182 10634 C04295 HMDB03818 androstenediol (3beta,17beta) disulfate (2) Lipid Steroid 37203 LC/MS Neg 100001994 4065 224.0624 10634 C04295 HMDB03818 androstenediol (3beta,17beta) monosulfate (1) Lipid Steroid 37211 LC/MS Neg 100002028 4500 369.17411 521-17-5 HMDB03818 androstenediol (3beta,17beta) monosulfate (2) Lipid Steroid 37210 LC/MS Neg 100002029 4500 369.17411 androsterone sulfate Lipid Steroid 31591 LC/MS Neg 100001073 5022 369.17411 2479-86-9 159663 HMDB02759 arabitol/xylitol Carbohydrate Pentose Metabolism 48885 LC/MS Polar 100006430 1932.4 151.0612 arabonate/xylonate Carbohydrate Pentose Metabolism 48255 LC/MS Polar 100006115 2664.6 165.04046 arachidate (20:0) Lipid Long Chain Fatty Acid 1118 LC/MS Neg 893 6295 311.29555 506-30-9 10467 C06425 HMDB02212 arachidonate (20:4n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 1110 LC/MS Neg 229 5535 303.23295 506-32-1 444899 C00219 HMDB01043 arachidonoyl ethanolamide Lipid Endocannabinoid 32463 LC/MS Pos Late 1488 1535 348.28971 94421-68-8 5281969 C11695 HMDB04080 arachidonoylcarnitine (C20:4) Lipid Fatty Acid Metabolism(Acyl Carnitine) 57518 LC/MS Pos Late 100015837 1353 448.34215 arachidonoylcholine Lipid Phospholipid Metabolism 53261 LC/MS Pos Late 100009332 1390 390.33666 arachidoylcarnitine (C20)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57513 LC/MS Pos Late 100015833 1512 456.40474 HMDB06460 argininate* Amino Acid Urea cycle; Arginine and Proline Metabolism 57461 LC/MS Pos Early 100002769 2150 176.10297 157-07-3 160437 HMDB03148 arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos Early 231 2825 175.11896 1119-34-2 232 C00062 HMDB00517 asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Pos Early 917 1225 133.06077 70-47-3 6267 C00152 HMDB00168 aspartate Amino Acid Alanine and Aspartate Metabolism 443 LC/MS Pos Early 234 1165 134.04479 56-84-8 5960 C00049 HMDB00191 azelate (nonanedioate) Lipid Fatty Acid, Dicarboxylate 18362 LC/MS Neg 2029 1276 187.09758 123-99-9 2266 C08261 HMDB00784 behenoyl dihydrosphingomyelin (d18:0/22:0)* Lipid Sphingolipid Metabolism 57331 LC/MS Pos Late 100009026 3150 789.68441 behenoyl sphingomyelin (d18:1/22:0)* Lipid Sphingolipid Metabolism 48492 LC/MS Pos Late 100006294 3083 787.66876 behenoylcarnitine (C22)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57514 LC/MS Pos Late 100015832 1561 484.43604 benzoate Xenobiotics Benzoate Metabolism 15778 LC/MS Neg 100000008 1750 121.0295 65-85-0 243 C00180 HMDB01870 beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 55 LC/MS Pos Early 244 1905 90.05496 56-41-7;107-95-9 239 C00099 HMDB00056 beta-citrylglutamate Amino Acid Glutamate Metabolism 54923 LC/MS Neg 100003271 530 320.06232 73590-26-8 beta-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 12129 LC/MS Neg 1442 1027 117.05572 625-08-1 69362 HMDB00754 betaine Amino Acid Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos Early 799 1064 118.08626 107-43-7 247 C00719 HMDB00043 beta-sitosterol Lipid Sterol 27414 LC/MS Pos Late 100001033 3054 397.38289 83-46-5 222284 C01753 HMDB00852 betonicine Xenobiotics Food Component/Plant 38100 LC/MS Pos Early 100002153 1012 160.09682 515-25-3 164642 C08269 HMDB29412 bilirubin (Z,Z) Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 43807 LC/MS Pos Late 1090 1840 585.27076 635-65-4 5280352 C00486 HMDB00054 bilirubin (E,E)* Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 32586 LC/MS Neg 100001950 4294 583.2562 114-25-0 5315454 bilirubin (E,Z or Z,E)* Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 47886 LC/MS Pos Late 100001951 1270 585.27076 5799469 biliverdin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 2137 LC/MS Pos Late 250 1016 583.25512 55482-27-4;55482-27-4 5353439 C00500 HMDB01008 butyrylcarnitine (C4) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32412 LC/MS Pos Early 100001054 2860 232.15434 25576-40-3 439829 C02862 HMDB02013 caffeic acid sulfate Xenobiotics Xanthine Metabolism 53254 LC/MS Polar 100009337 1307 258.99179 HMDB41708 caffeine Xenobiotics Xanthine Metabolism 569 LC/MS Pos Early 849 2106 195.08766 58-08-2 2519 C07481 HMDB01847 campesterol Lipid Sterol 33997 LC/MS Pos Late 100001269 2873 383.36724 474-62-4 173183 C01789 HMDB02869 caprate (10:0) Lipid Medium Chain Fatty Acid 1642 LC/MS Neg 888 5090.7 171.13905 112-37-8 2969 C01571 HMDB00511 caproate (6:0) Lipid Medium Chain Fatty Acid 32489 LC/MS Neg 926 2713.7 115.07645 142-62-1 8892 C01585 HMDB00535 caprylate (8:0) Lipid Medium Chain Fatty Acid 32492 LC/MS Neg 932 4362 143.10775 124-07-2 379 C06423 HMDB00482 carboxyethyl-GABA Amino Acid Glutamate Metabolism 40007 LC/MS Pos Early 100003260 2085 176.09174 3/2/4386 2572 HMDB02201 carboxyibuprofen Xenobiotics Drug 43333 LC/MS Pos Late 100004171 810 254.13869 15935-54-3 10444113 carnitine Lipid Carnitine Metabolism 15500 LC/MS Pos Early 100000007 1978 162.11247 461-05-2 10917 C00318 HMDB00062 catechol sulfate Xenobiotics Benzoate Metabolism 35320 LC/MS Neg 100001605 1906 188.98631 4918-96-1 3083879 C00090 HMDB59724 ceramide (d16:1/24:1, d18:1/22:1)* Lipid Ceramides 57437 LC/MS Pos Late 100015727 3850 620.59763 ceramide (d18:1/14:0, d16:1/16:0)* Lipid Ceramides 57432 LC/MS Pos Late 100015735 2477 510.48808 ceramide (d18:1/17:0, d17:1/18:0)* Lipid Ceramides 57434 LC/MS Pos Late 100015737 3055 552.53505 cerotoylcarnitine (C26)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57516 LC/MS Pos Late 100015835 1649 540.49864 HMDB06347 Cetirizine Xenobiotics Drug 54745 LC/MS Pos Late 100009034 1052 389.16265 83881-51-0 2678 C07778,D07662 HMDB05032 C-glycosyltryptophan Amino Acid Tryptophan Metabolism 48782 LC/MS Pos Early 100006379 2685 367.14998 180509-18-6 10981970 chenodeoxycholate Lipid Primary Bile Acid Metabolism 1563 LC/MS Neg 1123 5264 391.28538 474-24-9;474-25-9 10133 C02528 HMDB00518 chiro-inositol Lipid Inositol Metabolism 37112 LC/MS Polar 100001859 3191.2 225.06159 643-12-9 C19891 HMDB34220 cholate Lipid Primary Bile Acid Metabolism 22842 LC/MS Neg 136 5165 407.28029 81-25-4 221493 C00695 HMDB00619 cholesterol Lipid Sterol 63 LC/MS Pos Late 266 2707 369.35159 57-88-5 11025495 C00187 HMDB00067 choline Lipid Phospholipid Metabolism 15506 LC/MS Pos Early 1256 1961 104.10699 67-48-1 305 C00114 HMDB00097 cinnamoylglycine Xenobiotics Food Component/Plant 38637 LC/MS Neg 100002253 3127 204.06661 16534-24-0 709625 HMDB11621 cis-4-decenoylcarnitine (C10:1) Lipid Fatty Acid Metabolism(Acyl Carnitine) 38178 LC/MS Pos Late 100002259 1057 314.23259 98930-66-6 citrate Energy TCA Cycle 1564 LC/MS Neg 1124 582 191.01973 77-92-9 311 C00158 HMDB00094 citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos Early 391 1520 176.10297 372-75-8 9750 C00327 HMDB00904 corticosterone Lipid Steroid 5983 LC/MS Neg 272 5040 345.20713 50-22-6 5753 C02140 HMDB01547 cortisol Lipid Steroid 1712 LC/MS Neg 356 4713.2 361.20204 50-23-7 5754 C00735 HMDB00063 cortisone Lipid Steroid 1769 LC/MS Neg 273 4572.5 359.18639 53-06-5 222786 C00762 HMDB02802 cotinine Xenobiotics Tobacco Metabolite 553 LC/MS Pos Early 848 2213 177.10224 486-56-6 854019 HMDB01046 cotinine N-oxide Xenobiotics Tobacco Metabolite 38662 LC/MS Pos Early 100002719 1377 193.09716 36508-80-2 9815514 HMDB01411 creatine Amino Acid Creatine Metabolism 27718 LC/MS Pos Early 1221 1947 132.07676 57-00-1 586 C00300 HMDB00064 creatinine Amino Acid Creatine Metabolism 513 LC/MS Pos Early 275 2055 114.06619 60-27-5 588 C00791 HMDB00562 cys-gly, oxidized Amino Acid Glutathione Metabolism 18368 LC/MS Pos Early 1224 2947 355.07406 7729-20-6 333293 cystathionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 15705 LC/MS Pos Early 310 2270 223.07471 535-34-2 439258 C02291 HMDB00099 cysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1868 LC/MS Pos Early 800 1488 122.02703 52-90-4;56-89-3 5862 C00097 HMDB00574 cysteine s-sulfate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Polar 100000808 2273 199.96928 1637-71-4 115015 C05824 HMDB00731 cysteine-glutathione disulfide Amino Acid Glutathione Metabolism 35159 LC/MS Pos Early 100001437 2465 427.09519 13081-14-6 4247235 HMDB00656 cysteinylglycine Amino Acid Glutathione Metabolism 35637 LC/MS Pos Early 278 2132 179.0485 19246-18-5 439498 C01419 HMDB00078 cystine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos Early 279 2000 241.03113 56-89-3 67678 C00491 HMDB00192 cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Neg 827 1325 242.07824 65-46-3 6175 C00475 HMDB00089 cytosine Nucleotide Pyrimidine Metabolism, Cytidine containing 573 LC/MS Pos Early 881 2060 112.05054 71-30-7 597 C00380 HMDB00630 daidzein sulfate (1) Xenobiotics Food Component/Plant 48727 LC/MS Neg 100006362 2843 333.00744 daidzein sulfate (2) Xenobiotics Food Component/Plant 48728 LC/MS Neg 100006363 3330 333.00756 decanoylcarnitine (C10) Lipid Fatty Acid Metabolism(Acyl Carnitine) 33941 LC/MS Pos Late 100001251 1130 316.24824 1492-27-9 10245190 HMDB00651 dehydroisoandrosterone sulfate (DHEA-S) Lipid Steroid 32425 LC/MS Neg 100000792 4745 367.15846 651-48-9 12594 C04555 HMDB01032 delta-tocopherol Cofactors and Vitamins Tocopherol Metabolism 33418 LC/MS Pos Late 100001216 2259 402.3492 119-13-1 92094 C14151 HMDB02902 deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos Early 100001662 2052 146.11756 6249-56-5 134 C01181 HMDB01161 deoxycholate Lipid Secondary Bile Acid Metabolism 1114 LC/MS Neg 302 5294 391.28538 83-44-3 222528 C04483 HMDB00626 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* Lipid Diacylglycerol 54966 LC/MS Pos Late 100010940 2733 608.52486 dihomo-linoleate (20:2n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 17805 LC/MS Neg 1231 5730 307.26425 2091-39-6 6439848 C16525 HMDB05060 dihomo-linolenate (20:3n3 or n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 35718 LC/MS Neg 100001739 5596 305.2486 17046-59-2 5280581 C03242 HMDB02925 dihomo-linolenoylcarnitine (20:3n3 or 6)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57521 LC/MS Pos Late 100015840 1392 450.35777 dihomo-linolenoyl-choline Lipid Phospholipid Metabolism 53262 LC/MS Pos Late 100009335 1424 392.35231 dihomo-linoleoylcarnitine (C20:2)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57520 LC/MS Pos Late 100015839 1436 452.37343 dihydroferulic acid Xenobiotics Food Component/Plant 40481 LC/MS Neg 100003432 1928 195.06628 1135-23-5 14340 dihydroorotate Nucleotide Pyrimidine Metabolism, Orotate containing 601 LC/MS Polar 923 1910 157.02548 155-54-4 648 C00337 HMDB03349 dimethyl sulfone Xenobiotics Chemical 43424 LC/MS Pos Early 100004284 832 95.01613 67-71-0 6213 C11142 HMDB04983 dimethylarginine (SDMA + ADMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos Early 100001810 2850 203.15026 102783-24-4 123831 C03626 HMDB01539 dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos Early 806 1104 104.07061 1118-68-9 673 C01026 HMDB00092 docosadienoate (22:2n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 32415 LC/MS Neg 100001182 6034 335.29555 7370-49-2 5282807 C16533 HMDB61714 docosadioate Lipid Fatty Acid, Dicarboxylate 39837 LC/MS Neg 100002952 5291.8 369.30103 505-56-6 244872 docosahexaenoate (DHA; 22:6n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 44675 LC/MS Neg 100000665 5525 327.23295 6217-54-5 445580 C06429 HMDB02183 docosahexaenoylcarnitine (C22:6)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57523 LC/MS Pos Late 100015845 1349 472.34215 docosahexaenoylcholine Lipid Phospholipid Metabolism 53263 LC/MS Pos Late 100009333 1378 414.33666 docosapentaenoate (n3 DPA; 22:5n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 32504 LC/MS Neg 100001181 5571 329.2486 2234-74-4 6441454 C16513 HMDB01976 docosapentaenoate (n6 DPA; 22:5n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 37478 LC/MS Neg 100001580 5624.5 329.2486 25182-74-5 6441454 C16513 HMDB01976 docosapentaenoylcarnitine (C22:5n3)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57529 LC/MS Pos Late 100015851 1387 474.35777 docosatrienoate (22:3n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 32417 LC/MS Neg 100001195 5823 333.2799 59708-86-0 5312556 C16534 HMDB02823 docosatrienoate (22:3n6)* Lipid Polyunsaturated Fatty Acid (n3 and n6) 57467 LC/MS Neg 100015762 5850 333.27989 dodecanedioate Lipid Fatty Acid, Dicarboxylate 32388 LC/MS Neg 100001102 2990 229.14453 693-23-2 12736 C02678 HMDB00623 dopamine 3-O-sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 48407 LC/MS Neg 100006361 1556.2 232.02845 122136 C13690 HMDB06275 dopamine 4-sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 48406 LC/MS Neg 100006360 1511 232.02848 123932 C13691 HMDB04148 DSGEGDFXAEGGGVR* Peptide Fibrinogen Cleavage Peptide 31548 LC/MS Neg 100001323 2535 731.31677 ectoine Xenobiotics Chemical 35651 LC/MS Pos Early 100001635 1980 143.08151 96702-03-3 126041 C06231 EDTA Xenobiotics Chemical 22163 LC/MS Neg 100001002 643 291.08339 60-00-4 6049 C00284 HMDB15109 eicosanodioate Lipid Fatty Acid, Dicarboxylate 39831 LC/MS Neg 100002951 5200.9 341.26973 2424-92-2 75502 eicosapentaenoate (EPA; 20:5n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 18467 LC/MS Neg 2050 5450 301.2173 10-2005-9;10417-94-4 446284 C06428 HMDB01999 eicosenoate (20:1) Lipid Long Chain Fatty Acid 33587 LC/MS Neg 100001335 5950 309.2799 5282768 HMDB02231 eicosenoylcarnitine (C20:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57519 LC/MS Pos Late 100015838 1484 454.38909 epiandrosterone sulfate Lipid Steroid 33973 LC/MS Neg 100001287 4855 369.17411 22229-22-7 C07635 HMDB00365 ergothioneine Xenobiotics Food Component/Plant 37459 LC/MS Pos Early 100002154 850 230.09578 58511-63-0 3032311 C05570 HMDB03045 erucate (22:1n9) Lipid Long Chain Fatty Acid 1552 LC/MS Neg 1087 6355.6 337.3112 112-86-7 5281116 C08316 HMDB02068 erucoylcarnitine (C22:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57525 LC/MS Pos Late 100015841 1535 482.4204 erythritol Xenobiotics Food Component/Plant 20699 LC/MS Polar 100000846 1491 167.05611 149-32-6 222285 C00503 HMDB02994 erythronate* Carbohydrate Aminosugar Metabolism 42420 LC/MS Polar 100001320 2186 135.02989 88759-55-1 2781043 HMDB00613 escitalopram Xenobiotics Drug 40459 LC/MS Pos Late 100003444 908 325.17107 219861-08-2 146570 HMDB05028 estrone 3-sulfate Lipid Steroid 18474 LC/MS Neg 1230 4417.3 349.11152 438-67-5 3001028 C02538 HMDB01425 ethyl glucuronide Xenobiotics Chemical 39603 LC/MS Neg 100002849 793 221.06667 17685-04-0 152226 ethylmalonate Amino Acid Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 2054 2785 131.03498 601-75-2 11756 HMDB00622 etiocholanolone glucuronide Lipid Steroid 47112 LC/MS Neg 100005403 4915 465.24939 9/3/3602 eugenol sulfate Xenobiotics Food Component/Plant 48715 LC/MS Neg 100006171 3782 243.03326 95480-60-7 180632 flavin adenine dinucleotide (FAD) Cofactors and Vitamins Riboflavin Metabolism 2134 LC/MS Neg 327 2425 784.14985 146-14-5;84366-81-4 643975 C00016 HMDB01248 ferulic acid 4-sulfate Xenobiotics Food Component/Plant 47114 LC/MS Neg 100005389 1225 273.00744 86321-29-1 6305574 HMDB29200 fructose Carbohydrate Fructose, Mannose and Galactose Metabolism 48195 LC/MS Polar 878 2022.2 225.06159 57-48-7 5984 C00095 HMDB00660 fumarate Energy TCA Cycle 1643 LC/MS Polar 330 3084 115.00368 100-17-8 444972 C00122 HMDB00134 gabapentin Xenobiotics Drug 38686 LC/MS Pos Early 100002806 3123 172.13321 60142-96-3 3446;6919078 D00332 HMDB05015 galactitol (dulcitol) Carbohydrate Fructose, Mannose and Galactose Metabolism 1117 LC/MS Polar 1003 2309.7 181.07176 608-66-2 11850 C01697 HMDB00107 galactonate Carbohydrate Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 100001026 3085 195.05102 299-28-5 128869 C00880 HMDB00565 gamma-carboxyglutamate Amino Acid Glutamate Metabolism 38754 LC/MS Pos Early 100002679 903 192.05027 56271-99-9 40772 HMDB41900 gamma-CEHC Cofactors and Vitamins Tocopherol Metabolism 44876 LC/MS Neg 100002094 3843 263.12888 178167-75-4 133098 HMDB01931 gamma-CEHC glucuronide* Cofactors and Vitamins Tocopherol Metabolism 42381 LC/MS Neg 100004243 2500 439.16097 gamma-glutamyl-2-aminobutyrate Peptide Gamma-glutamyl Amino Acid 37092 LC/MS Pos Early 100001502 2380 233.1132 16869-42-4 gamma-glutamylalanine Peptide Gamma-glutamyl Amino Acid 37063 LC/MS Pos Early 100001843 1986 219.09755 5875-41-2 440103 HMDB29142 gamma-glutamyl-alpha-lysine Peptide Gamma-glutamyl Amino Acid 55015 LC/MS Pos Early 100010901 2784 276.1554 65254 gamma-glutamyl-epsilon-lysine Peptide Gamma-glutamyl Amino Acid 33934 LC/MS Pos Early 100001262 2717 276.1554 17105-15-6 7015684;7015685 HMDB03869 gamma-glutamylglutamate Peptide Gamma-glutamyl Amino Acid 36738 LC/MS Pos Early 331 1775 277.10303 1116-22-9 92865 C05282 HMDB11737 gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid 2730 LC/MS Pos Early 1140 1430 276.11902 10148-81-9 150914 C05283 HMDB11738 gamma-glutamylglycine Peptide Gamma-glutamyl Amino Acid 33949 LC/MS Pos Early 100001294 1535 205.0819 1948-29-4 165527 HMDB11667 gamma-glutamylhistidine Peptide Gamma-glutamyl Amino Acid 18245 LC/MS Pos Early 1235 2740 285.11935 37460-15-4 7017195 gamma-glutamylisoleucine* Peptide Gamma-glutamyl Amino Acid 34456 LC/MS Pos Early 100001485 2940 261.1445 14253342 HMDB11170 gamma-glutamylleucine Peptide Gamma-glutamyl Amino Acid 18369 LC/MS Pos Early 1268 2991 261.1445 2566-39-4 151023 HMDB11171 gamma-glutamylmethionine Peptide Gamma-glutamyl Amino Acid 44872 LC/MS Pos Early 100001313 2640 279.10092 17663-87-5 7009567 HMDB29155 gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid 33422 LC/MS Neg 100000491 1825 293.11429 7432-24-8 111299 HMDB00594 gamma-glutamylthreonine Peptide Gamma-glutamyl Amino Acid 33364 LC/MS Pos Early 100001314 1750 249.10812 5652-48-2 HMDB29159 gamma-glutamyltryptophan Peptide Gamma-glutamyl Amino Acid 33947 LC/MS Pos Early 100001295 2975 334.13975 66471-20-3 3989307 HMDB29160 gamma-glutamyltyrosine Peptide Gamma-glutamyl Amino Acid 2734 LC/MS Neg 1102 1240 309.10921 7432-23-7 94340 HMDB11741 gamma-glutamylvaline Peptide Gamma-glutamyl Amino Acid 43829 LC/MS Pos Early 100001126 2700 247.12885 2746-34-1 7015683 HMDB11172 gamma-tocopherol/beta-tocopherol Cofactors and Vitamins Tocopherol Metabolism 52473 LC/MS Pos Late 100008998 2384 416.36427 gentisate Amino Acid Phenylalanine and Tyrosine Metabolism 18280 LC/MS Polar 100000447 905 153.01933 490-79-9 3469 C00628 HMDB00152 gluconate Xenobiotics Food Component/Plant 587 LC/MS Polar 338 2922 195.05102 527-07-1 10690 C00257 HMDB00625 glucose Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 20488 LC/MS Polar 572 2342 179.05611 50-99-7 79025 C00031 HMDB00122 glucuronate Carbohydrate Aminosugar Metabolism 15443 LC/MS Polar 100000257 3233.3 193.03537 207300-70-7 444791 C00191 HMDB00127 glutamate Amino Acid Glutamate Metabolism 57 LC/MS Pos Early 561 1500 148.06044 56-86-0 611 C00025 HMDB00148 glutamate, gamma-methyl ester Amino Acid Glutamate Metabolism 33487 LC/MS Pos Early 100001103 2170 162.07609 1499-55-4 68662 glutamine Amino Acid Glutamate Metabolism 53 LC/MS Pos Early 563 1291 147.07642 56-85-9 5961 C00064 HMDB00641 glutarate (pentanedioate) Amino Acid Lysine Metabolism 396 LC/MS Polar 339 2900 131.03498 110-94-1 743 C00489 HMDB00661 glutarylcarnitine (C5-DC) Amino Acid Lysine Metabolism 44664 LC/MS Pos Early 100001593 2393 276.14417 102636-82-8 71464488 HMDB13130 glycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1572 LC/MS Polar 1052 2070.4 105.01933 600-19-1 752 C00258 HMDB00139 glycerol Lipid Glycerolipid Metabolism 15122 LC/MS Neg 1254 758 91.04007 56-81-5 753 C00116 HMDB00131 glycerol 3-phosphate Lipid Glycerolipid Metabolism 43847 LC/MS Pos Early 100000258 580 173.02095 29849-82-9 754 C00093 HMDB00126 glycerophosphoethanolamine Lipid Phospholipid Metabolism 37455 LC/MS Pos Early 100001620 659 216.06315 33049-08-0 123874 C01233 HMDB00114 glycerophosphoglycerol Lipid Glycerolipid Metabolism 48857 LC/MS Polar 100001619 2430 245.04317 439964 C03274 glycerophosphoinositol* Lipid Phospholipid Metabolism 47155 LC/MS Polar 100001621 3850 333.05922 16824-65-0 glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Pos Early 100000269 672 258.1101 28319-77-9 71920 C00670 HMDB00086 glycine Amino Acid Glycine, Serine and Threonine Metabolism 58 LC/MS Pos Early 340 1375 76.03931 56-40-6 750 C00037 HMDB00123 glycochenodeoxycholate Lipid Primary Bile Acid Metabolism 32346 LC/MS Neg 1628 5236.1 448.30684 16564-43-5 12544 C05466 HMDB00637 glycochenodeoxycholate glucuronide (1) Lipid Primary Bile Acid Metabolism 52983 LC/MS Neg 100009264 4806 311.66583 glycochenodeoxycholate sulfate Lipid Primary Bile Acid Metabolism 52974 LC/MS Neg 100006641 4820 263.62819 glycocholate Lipid Primary Bile Acid Metabolism 18476 LC/MS Neg 342 5163 464.30176 475-31-0;863-57-0 10140 C01921 HMDB00138 glycocholenate sulfate* Lipid Secondary Bile Acid Metabolism 32599 LC/MS Neg 100001989 4750 254.62291 glycodeoxycholate Lipid Secondary Bile Acid Metabolism 18477 LC/MS Neg 100000436 5281 448.30684 360-65-6 3035026 C05464 HMDB00631 glycodeoxycholate sulfate Lipid Secondary Bile Acid Metabolism 52975 LC/MS Neg 100006642 4875 263.62819 glycohyocholate Lipid Secondary Bile Acid Metabolism 42574 LC/MS Neg 100004083 5020 464.30176 glycolithocholate Lipid Secondary Bile Acid Metabolism 31912 LC/MS Neg 100001064 5357.1 432.31193 474-74-8 115245 C15557 HMDB00698 glycolithocholate sulfate* Lipid Secondary Bile Acid Metabolism 32620 LC/MS Neg 100001657 5011 255.63073 15324-64-8 72222 C11301 HMDB02639 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* Lipid Ceramides 57457 LC/MS Pos Late 100015730 3373 782.65045 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* Lipid Ceramides 57595 LC/MS Pos Late 100015882 3414 756.6348 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* Lipid Ceramides 57448 LC/MS Pos Late 100015751 3667 796.66609 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* Lipid Ceramides 57453 LC/MS Pos Late 100015745 3380 808.66609 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* Lipid Sphingolipid Metabolism 57421 LC/MS Pos Late 100015625 3420 782.65045 glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* Lipid Sphingolipid Metabolism 57369 LC/MS Pos Late 100001878 3990 810.68175 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Sphingolipid Metabolism 53013 LC/MS Pos Late 100009272 2623 700.5722 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) Lipid Sphingolipid Metabolism 52234 LC/MS Pos Late 100001882 3053 728.6035 glycoursodeoxycholate Lipid Secondary Bile Acid Metabolism 39379 LC/MS Neg 100002911 5033 448.30684 64480-66-6 12310288 HMDB00708 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Pos Early 344 1937 118.06111 352-97-6 763 C00581 HMDB00128 guanosine Nucleotide Purine Metabolism, Guanine containing 1573 LC/MS Neg 1099 1662 282.08439 118-00-3 6802 C00387 HMDB00133 gulonate* Cofactors and Vitamins Ascorbate and Aldarate Metabolism 46957 LC/MS Polar 100001586 2750 195.05102 20246-53-1 9794176 HMDB03290 heme Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos Late 100001386 1124 616.1762 14875-96-8 26945 C00032 HMDB03178 hexadecanedioate Lipid Fatty Acid, Dicarboxylate 35678 LC/MS Neg 100001614 4615 285.20713 505-54-4 10459 C19615 HMDB00672 hexanoylcarnitine (C6) Lipid Fatty Acid Metabolism(Acyl Carnitine) 32328 LC/MS Pos Early 100000781 3308 260.18564 6920-35-0 6426853 HMDB00705 hexanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 54907 LC/MS Neg 100001733 2780 243.13503 hexanoylglycine Lipid Fatty Acid Metabolism(Acyl Glycine) 35436 LC/MS Neg 100001527 2900 172.09791 24003-67-6 99463 HMDB00701 hippurate Xenobiotics Benzoate Metabolism 15753 LC/MS Neg 100000014 2106.9 178.05096 495-69-2 464 C01586 HMDB00714 histidine Amino Acid Histidine Metabolism 59 LC/MS Neg 355 755.9 154.0622 5934-29-2 6274 C00135 HMDB00177 homoarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 22137 LC/MS Pos Early 100000961 2882 189.13461 156-86-5 9085 C01924 HMDB00670 homocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 22138 LC/MS Pos Early 100000963 1908 190.11862 1190-49-4 65072 C02427 HMDB00679 homostachydrine* Xenobiotics Food Component/Plant 33009 LC/MS Pos Early 100001550 1750 158.11756 1195-94-4 441447 C08283 HMDB33433 hydantoin-5-propionic acid Amino Acid Histidine Metabolism 40473 LC/MS Polar 100002514 2080 171.04113 5624-26-0 782 C05565 HMDB01212 hydroquinone sulfate Xenobiotics Drug 35322 LC/MS Neg 100001604 1395 188.98631 123-31-9 161220 C00530 HMDB02434 hydroxycotinine Xenobiotics Tobacco Metabolite 38661 LC/MS Pos Early 100002717 2030 193.09716 34834-67-8 10219774 HMDB01390 trans-4-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Pos Early 1001 1064 132.06552 51-35-4 5810 C01157 HMDB00725 hyocholate Lipid Secondary Bile Acid Metabolism 34093 LC/MS Neg 100001279 5046 407.28029 547-75-1 92805 C17649 HMDB00760 hypotaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Pos Early 358 724 110.02703 300-84-5 107812 C00519 HMDB00965 hypoxanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3127 LC/MS Neg 171 1291.2 135.03123 68-94-0 790 C00262 HMDB00157 ibuprofen Xenobiotics Drug 17799 LC/MS Neg 1487 4925 205.1234 15687-27-1 3672 D00126 HMDB01925 imidazole lactate Amino Acid Histidine Metabolism 15716 LC/MS Pos Early 100000263 2040 157.06077 14403-45-3 440129 C05568 HMDB02320 imidazole propionate Amino Acid Histidine Metabolism 40730 LC/MS Pos Early 100003434 2263 141.06586 1074-59-5 70630 HMDB02271 iminodiacetate (IDA) Xenobiotics Chemical 21025 LC/MS Pos Early 100000900 808 134.04479 142-73-4 8897 C19911 HMDB11753 indole-3-carboxylic acid Amino Acid Tryptophan Metabolism 38116 LC/MS Neg 100002185 1708.8 160.0404 771-50-6 69867 C19837 HMDB03320 indoleacetate Amino Acid Tryptophan Metabolism 27513 LC/MS Pos Early 100001034 2850 176.07061 6505-45-9 802 C00954 HMDB00197 indoleacetylglutamine Amino Acid Tryptophan Metabolism 42087 LC/MS Pos Early 100001731 2185 304.12919 25200879 HMDB13240 indolelactate Amino Acid Tryptophan Metabolism 18349 LC/MS Pos Early 100000463 2600 206.08117 832-97-3 92904 C02043 HMDB00671 indolepropionate Amino Acid Tryptophan Metabolism 32405 LC/MS Pos Early 100001083 3205 190.08626 830-96-6 3744 HMDB02302 indolin-2-one Xenobiotics Food Component/Plant 43374 LC/MS Pos Early 100004318 2575 134.06004 59-48-3 321710 C12312 inosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1123 LC/MS Neg 361 1602.1 267.07349 58-63-9 6021 C00294 HMDB00195 inosine 5'-monophosphate (IMP) Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 2133 LC/MS Pos Early 362 650 349.05438 4691-65-0 8582 C00130 HMDB00175 isobutyrylcarnitine (C4) Amino Acid Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos Early 100001055 2810 232.15434 25518-49-4 168379 HMDB00736 isobutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35437 LC/MS Neg 100001590 1420 144.06661 15926-18-8 10855600 HMDB00730 isoeugenol sulfate Xenobiotics Food Component/Plant 48997 LC/MS Neg 100006089 3893 243.03326 isoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos Early 376 2800 132.10191 73-32-5 6306 C00407 HMDB00172 isoleucylglycine Peptide Dipeptide 40008 LC/MS Neg 100003169 1992 187.10881 868-28-0 342532 isovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 44656 LC/MS Neg 100000708 1564 101.0608 503-74-2 10430 C08262 HMDB00718 isovalerylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos Early 100001393 3085 246.16999 31023-24-2 6426851 HMDB00688 isovalerylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35107 LC/MS Neg 100001452 1950 158.08226 16284-60-9 546304 HMDB00678 kynurenate Amino Acid Tryptophan Metabolism 1417 LC/MS Neg 98 2224 188.03531 492-27-3 3845 C01717 HMDB00715 kynurenine Amino Acid Tryptophan Metabolism 15140 LC/MS Pos Early 100000265 2739 209.09207 2922-83-0 161166 C00328 HMDB00684 lactate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Neg 482 681.6 89.02442 79-33-4 612 C00186 HMDB00190 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* Lipid Sphingolipid Metabolism 57370 LC/MS Pos Late 100015620 3778 972.73457 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Sphingolipid Metabolism 53010 LC/MS Pos Late 100009030 2527 862.62502 4201-62-1 lanthionine Xenobiotics Chemical 42002 LC/MS Pos Early 100003892 1730 209.05906 8/2/3183 6994972;98504 laurate (12:0) Lipid Medium Chain Fatty Acid 1645 LC/MS Neg 181 5300 199.17035 143-07-7 3893 C02679 HMDB00638 laurylcarnitine (C12) Lipid Fatty Acid Metabolism(Acyl Carnitine) 34534 LC/MS Pos Late 100001392 1235 344.27954 25518-54-1 10427569 HMDB02250 leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos Early 397 2864 132.10191 61-90-5 6106 C00123 HMDB00687 leucylglycine Peptide Dipeptide 40045 LC/MS Pos Early 100003185 2778 189.12337 686-50-0 79070 lignoceroyl sphingomyelin (d18:1/24:0) Lipid Sphingolipid Metabolism 57330 LC/MS Pos Late 100006298 3437 815.70006 60037-60-7 lignoceroylcarnitine (C24)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57515 LC/MS Pos Late 100015834 1603 512.46733 linoleamide (18:2n6) Lipid Fatty Acid, Amide 32455 LC/MS Neg 1492 6205 278.24893 1/7/3999 6435901 linoleate (18:2n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 1105 LC/MS Neg 180 5535 279.23295 60-33-3 5280450 C01595 HMDB00673 linolenate [alpha or gamma; (18:3n3 or 6)] Lipid Polyunsaturated Fatty Acid (n3 and n6) 34035 LC/MS Neg 100001337 5450 277.2173 5280934 C06426 HMDB03073 linolenoylcarnitine (C18:3)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57511 LC/MS Pos Late 100015831 1310 422.32649 linoleoyl ethanolamide Lipid Endocannabinoid 52608 LC/MS Neg 100006726 6150 322.27515 68171-52-8 5283446 HMDB12252 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* Lipid Diacylglycerol 54955 LC/MS Pos Late 100010922 2566 658.54051 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* Lipid Diacylglycerol 54956 LC/MS Pos Late 100010923 2624 658.54051 linoleoylcarnitine (C18:2)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 46223 LC/MS Pos Late 100003151 1430 424.34214 36816-10-1 6450015 HMDB06469 linoleoylcholine* Lipid Fatty Acid Metabolism (Acyl Choline) 57463 LC/MS Pos Late 100015760 1388 366.33666 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* Lipid Diacylglycerol 54949 LC/MS Pos Late 100010928 2417 682.54051 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]* Lipid Diacylglycerol 54950 LC/MS Pos Late 100010929 2468 682.54051 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* Lipid Diacylglycerol 54963 LC/MS Pos Late 100010926 2426 632.52486 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* Lipid Diacylglycerol 54964 LC/MS Pos Late 100010927 2478 632.52486 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* Lipid Diacylglycerol 54968 LC/MS Pos Late 100010941 2689 634.54051 L-urobilin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 40173 LC/MS Pos Late 100002568 901 595.34902 34217-90-8 5280818 C05793 HMDB04159 lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos Early 407 2850 147.11281 56-87-1 5962 C00047 HMDB00182 malate Energy TCA Cycle 1303 LC/MS Neg 409 615.6 133.01425 6915-15-7 525 C00149 HMDB00156 maleate Lipid Fatty Acid, Dicarboxylate 20676 LC/MS Polar 100000707 2510 115.00368 110-16-7 444266 C01384 HMDB00176 malonylcarnitine Lipid Fatty Acid Synthesis 37059 LC/MS Pos Early 100001526 2086 248.11287 853728-01-5 22833583 HMDB02095 maltose Carbohydrate Glycogen Metabolism 15586 LC/MS Polar 913 3329.4 387.11442 6363-53-7 10991489 C00208 HMDB00163 maltotetraose Carbohydrate Glycogen Metabolism 15910 LC/MS Neg 100000275 910 665.21458 34612-38-9 446495 C02052 HMDB01296 maltotriose Carbohydrate Glycogen Metabolism 44688 LC/MS Neg 100000276 812 503.16175 1109-28-0 439586 C01835 HMDB01262 mannitol/sorbitol Carbohydrate Fructose, Mannose and Galactose Metabolism 46142 LC/MS Polar 100001740 2260 181.07176 5780 C01507 HMDB00247 mannose Carbohydrate Fructose, Mannose and Galactose Metabolism 48153 LC/MS Polar 803 2200 225.06159 3458-28-4 18950 C00159 HMDB00169 margarate (17:0) Lipid Long Chain Fatty Acid 1121 LC/MS Neg 891 5731 269.2486 506-12-7 10465 HMDB02259 margaroylcarnitine* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57512 LC/MS Pos Late 100004054 1424 414.35779 106182-29-0 mead acid (20:3n9) Lipid Polyunsaturated Fatty Acid (n3 and n6) 35174 LC/MS Neg 100001472 5650 305.2486 20590-32-3 5312531 HMDB10378 methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos Early 415 2526 150.05833 63-68-3 6137 C00073 HMDB00696 methionine sulfone Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Pos Early 100004635 1250 182.04816 820-10-0 69961 methionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos Early 100000039 1272 166.05325 3226-65-1 158980 C02989 HMDB02005 methyl glucopyranoside (alpha + beta) Xenobiotics Food Component/Plant 46144 LC/MS Neg 100005864 1070 193.0718 methyl indole-3-acetate Xenobiotics Food Component/Plant 1584 LC/MS Pos Early 1104 3339 190.08626 1912-33-0 74706 HMDB29738 methyl-4-hydroxybenzoate sulfate Xenobiotics Benzoate Metabolism 48429 LC/MS Neg 100006116 2873 230.99688 methylmalonate (MMA) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1496 LC/MS Polar 418 3078.4 117.01933 516-05-2 487 C02170 HMDB00202 15-methylpalmitate Lipid Fatty Acid, Branched 38768 LC/MS Neg 100002945 5695 269.24868 17903417 methylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 15745 LC/MS Polar 2051 2800 131.03498 498-21-5 10349 HMDB01844 myo-inositol Lipid Inositol Metabolism 1124 LC/MS Polar 363 3506.3 225.06159 87-89-8 892 C00137 HMDB00211 myristate (14:0) Lipid Long Chain Fatty Acid 1365 LC/MS Neg 519 5440 227.20165 544-63-8 11005 C06424 HMDB00806 myristoleate (14:1n5) Lipid Long Chain Fatty Acid 32418 LC/MS Neg 100001198 5346.9 225.186 544-64-9 5281119 C08322 HMDB02000 myristoleoylcarnitine (C14:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 48182 LC/MS Pos Late 100006051 1316 370.29471 889848-55-9 myristoyl dihydrosphingomyelin (d18:0/14:0)* Lipid Sphingolipid Metabolism 57365 LC/MS Pos Late 100009038 2060 677.5592 myristoylcarnitine (C14) Lipid Fatty Acid Metabolism(Acyl Carnitine) 33952 LC/MS Pos Late 100001270 1350 372.31084 18822-89-4 53477791 HMDB05066 N-(2-furoyl)glycine Xenobiotics Food Component/Plant 31536 LC/MS Neg 100001086 1525.8 168.03023 5657-19-2;5657-19-2 21863 HMDB00439 N(4)-acetylspermidine Amino Acid Polyamine Metabolism 32356 LC/MS Pos Early 100001214 3095 188.17574 66039-56-3 128317 N1,N12-diacetylspermine Amino Acid Polyamine Metabolism 52987 LC/MS Pos Early 100002132 3105 287.24416 61345-83-3 132680 C03413 HMDB02172 N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 40469 LC/MS Pos Early 100001468 1250 153.06586 701-44-0 69698 C05842 HMDB04193 N1-Methyl-4-pyridone-3-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 57584 LC/MS Pos Early 100001469 1260 153.06586 769-49-3 440810 C05843 HMDB04194 N1-methylinosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 48351 LC/MS Pos Early 100001409 1430 283.1037 20245-33-4 65095 HMDB02721 N2,N2-dimethylguanosine Nucleotide Purine Metabolism, Guanine containing 35137 LC/MS Pos Early 100001412 2210 312.13025 2140-67-2 92919 HMDB04824 N2,N5-diacetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43591 LC/MS Pos Early 100004575 1310 217.11829 39825-23-5 10398396 N2-methylguanosine Nucleotide Purine Metabolism, Guanine containing 35133 LC/MS Neg 100001467 1988 296.10004 2140-77-4 3035422 HMDB05862 N4-acetylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35130 LC/MS Neg 100001413 2040 284.08881 3768-18-1 107461 HMDB05923 N6,N6,N6-trimethyllysine Amino Acid Lysine Metabolism 1498 LC/MS Pos Early 189 2825 189.15976 23284-33-5 440120 C03793 HMDB01325 N6-acetyllysine Amino Acid Lysine Metabolism 36752 LC/MS Neg 100001734 1059 187.10881 692-04-6 92832 C02727 HMDB00206 N6-carbamoylthreonyladenosine Nucleotide Purine Metabolism, Adenine containing 35157 LC/MS Neg 100001415 2164 411.12698 24719-82-2 161466 HMDB41623 N6-carboxymethyllysine Carbohydrate Advanced Glycation End-product 36713 LC/MS Pos Early 100001768 2500 205.11829 4/3/5746 N6-methyladenosine Nucleotide Purine Metabolism, Adenine containing 37114 LC/MS Pos Early 213 2264 282.11969 1867-73-8 102175 HMDB04044 N6-succinyladenosine Nucleotide Purine Metabolism, Adenine containing 48130 LC/MS Neg 100001664 980 382.10043 4542-23-8 HMDB00912 N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Pos Early 100004299 2100 212.1028 N-acetyl-3-methylhistidine* Amino Acid Histidine Metabolism 43256 LC/MS Pos Early 100002204 2056 212.10297 37841-04-6 193270 N-acetylalanine Amino Acid Alanine and Aspartate Metabolism 1585 LC/MS Neg 1110 861.2 130.05096 97-69-8 88064 C02847 HMDB00766 N-acetylalliin Xenobiotics Food Component/Plant 45404 LC/MS Pos Early 100005367 1348 220.06381 N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos Early 100001266 2245 217.12952 155-84-0 67427 C02562 HMDB04620 N-acetylaspartate (NAA) Amino Acid Alanine and Aspartate Metabolism 22185 LC/MS Neg 100000787 620.5 174.04079 997-55-7;997-55-7 65065 C01042 HMDB00812 N-acetyl-aspartyl-glutamate (NAAG) Amino Acid Glutamate Metabolism 35665 LC/MS Pos Early 100001612 1035 305.09795 3106-85-2 5255 C12270 HMDB01067 N-acetyl-beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 37432 LC/MS Neg 100002102 773 130.05096 3025-95-4 76406 C01073 N-acetyl-cadaverine Amino Acid Lysine Metabolism 43530 LC/MS Pos Early 100002249 2385 145.13354 32343-73-0 N-acetylcarnosine Peptide Dipeptide Derivative 43488 LC/MS Neg 100004046 1235 267.10988 56353-15-2 9903482 HMDB12881 N-acetylcitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 48434 LC/MS Neg 100001577 940 216.09898 33965-42-3 656979 C15532 HMDB00856 N-acetylglucosamine/N-acetylgalactosamine Carbohydrate Aminosugar Metabolism 46539 LC/MS Pos Early 100006435 715 222.0972 N-acetylglucosaminylasparagine Carbohydrate Aminosugar Metabolism 48149 LC/MS Pos Early 1215 1212 336.14015 2776-93-4 123826 C04540 HMDB00489 N-acetylglutamate Amino Acid Glutamate Metabolism 15720 LC/MS Pos Early 100000282 1050 190.071 8/3/5817 70914 C00624 HMDB01138 N-acetylglutamine Amino Acid Glutamate Metabolism 33943 LC/MS Polar 100001253 2140 187.07243 2490-97-3 182230 C02716 HMDB06029 N-acetylglycine Amino Acid Glycine, Serine and Threonine Metabolism 27710 LC/MS Pos Early 100001006 826 118.04987 543-24-8 10972 HMDB00532 N-acetylhistidine Amino Acid Histidine Metabolism 33946 LC/MS Pos Early 100001293 2065 198.08732 39145-52-3 75619 C02997 HMDB32055 N-acetylisoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 33967 LC/MS Neg 100001276 2325 172.09791 3077-46-1 2802421 N-acetylkynurenine (2) Amino Acid Tryptophan Metabolism 48757 LC/MS Pos Early 100006378 2364 251.10264 N-acetylleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1587 LC/MS Neg 1082 2400 172.09791 1188-21-2 70912 C02710 HMDB11756 N-acetylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1589 LC/MS Neg 1083 1787 190.05434 65-82-7 448580 C02712 HMDB11745 N-acetylneuraminate Carbohydrate Aminosugar Metabolism 32377 LC/MS Pos Early 1162 660 310.11326 131-48-6 439197 C00270 HMDB00230 N-acetylphenylalanine Amino Acid Phenylalanine and Tyrosine Metabolism 33950 LC/MS Neg 100001256 2597 206.08226 2018-61-3 74839 C03519 HMDB00512 N-acetylputrescine Amino Acid Polyamine Metabolism 37496 LC/MS Pos Early 192 2230 131.11789 18233-70-0 122356 C02714 HMDB02064 N-acetyl-S-allyl-L-cysteine Xenobiotics Food Component/Plant 47136 LC/MS Neg 100005818 2237 202.05433 23127-41-5 152467 N-acetylserine Amino Acid Glycine, Serine and Threonine Metabolism 37076 LC/MS Polar 100001851 2000 146.04588 97-14-3 65249 HMDB02931 N-acetyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 48187 LC/MS Neg 100005466 800 166.01795 159864 N-acetylthreonine Amino Acid Glycine, Serine and Threonine Metabolism 33939 LC/MS Neg 100001274 821.6 160.06153 17093-74-2 152204 N-acetyltryptophan Amino Acid Tryptophan Metabolism 33959 LC/MS Neg 100001254 2630 245.09316 1218-34-4 700653 C03137 HMDB13713 N-acetyltyrosine Amino Acid Phenylalanine and Tyrosine Metabolism 32390 LC/MS Neg 100001104 1680 222.07718 537-55-3 68310 HMDB00866 N-acetylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 1591 LC/MS Neg 1084 1704 158.08226 96-81-1 66789 HMDB11757 N-alpha-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 32984 LC/MS Pos Early 100000285 2000 175.10772 8/9/6205 439232 C00437 HMDB03357 naproxen Xenobiotics Drug 12122 LC/MS Neg 1384 4155 229.08702 22204-53-1 156391 C01517 HMDB01923 N-behenoyl-hexadecanoylsphingosine (d16:1/22:0)* Lipid Sphingolipid Metabolism 57438 LC/MS Pos Late 100015753 3920 594.58199 N-behenoyl-sphingadienine (d18:2/22:0)* Lipid Sphingolipid Metabolism 57372 LC/MS Pos Late 100015624 3911 620.59763 N-delta-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43249 LC/MS Neg 100004523 858 173.09316 9920500 nervonoylcarnitine (C24:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57531 LC/MS Pos Late 100015846 1602 510.45168 N-formylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2829 LC/MS Neg 194 1543.8 176.03869 4289-98-9 439750 C03145 HMDB01015 N-formylphenylalanine Amino Acid Phenylalanine and Tyrosine Metabolism 48433 LC/MS Neg 100006056 2360 192.06661 13200-85-6 759256 nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos Early 432 1942 123.05529 98-92-0 936 C00153 HMDB01406 N-linoleoylglycine Lipid Fatty Acid Metabolism(Acyl Glycine) 32462 LC/MS Neg 1506 5510 336.25441 3/6/2764 6433346 N-methylpipecolate Xenobiotics Chemical 47101 LC/MS Pos Early 100005383 1932 144.10191 41447-17-0 11862129;11286529 N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos Early 100001956 1335 130.08626 475-11-6 557 N-methyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42989 LC/MS Polar 100004056 1576 138.02303 107-68-6 6994586;7882 N-monomethylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 43586 LC/MS Pos Early 100004488 2845 189.13461 53308-83-1 132862 C03884 HMDB29416 N-nervonoyl-sphingadiene (d18:2/24:1)* Lipid Sphingolipid Metabolism 57442 LC/MS Pos Late 100015699 3858 646.61318 N-oleoyltaurine Lipid Endocannabinoid 39732 LC/MS Neg 100003119 5610 388.2527 52514-04-2 6437033 nonadecanoate (19:0) Lipid Long Chain Fatty Acid 1356 LC/MS Neg 892 6068 297.2799 646-30-0 12591 C16535 HMDB00772 N-palmitoylglycine Lipid Fatty Acid Metabolism(Acyl Glycine) 42092 LC/MS Neg 100003686 5580 312.25441 2441-41-0 151008 N-palmitoyl-sphinganine (d18:0/16:0) Lipid Sphingolipid Metabolism 52604 LC/MS Pos Late 100009028 3090 540.53503 5966-29-0 5283572 HMDB11760 N-palmitoyl-sphingosine (d18:1/16:0) Lipid Sphingolipid Metabolism 44877 LC/MS Pos Late 1518 2893 538.51937 24696-26-2 5283564 HMDB04949 N-stearoyl-sphingosine (d18:1/18:0)* Lipid Sphingolipid Metabolism 54979 LC/MS Pos Late 1547 3392 566.55067 104404-17-3 5283565 HMDB04950 N-stearoyltaurine Lipid Endocannabinoid 39730 LC/MS Neg 100003240 5782 390.26835 63155-80-6 168274 O-acetylhomoserine Amino Acid Glycine, Serine and Threonine Metabolism 31539 LC/MS Polar 100001129 1850 160.06153 7540-67-2 439389 C01077 o-cresol sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 36845 LC/MS Neg 100001806 2796 187.00705 11615528 octadecanedioate Lipid Fatty Acid, Dicarboxylate 36754 LC/MS Neg 100001615 5043 313.23843 871-70-5 70095 HMDB00782 octanoylcarnitine (C8) Lipid Fatty Acid Metabolism(Acyl Carnitine) 33936 LC/MS Pos Late 100001247 950 288.21694 3671-77-0 123701 C02838 HMDB00791 oleamide Lipid Fatty Acid, Amide 32458 LC/MS Neg 1504 6581 280.26458 301-02-0 5283387 C19670 HMDB02117 oleate/vaccenate (18:1) Lipid Long Chain Fatty Acid 52285 LC/MS Neg 100008930 5655 281.2486 oleoyl ethanolamide Lipid Endocannabinoid 38102 LC/MS Neg 1137 6450 324.2908 11-58-0;111-58-0 5283454 HMDB02088 oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* Lipid Diacylglycerol 54960 LC/MS Pos Late 100010936 2907 660.55616 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* Lipid Diacylglycerol 54961 LC/MS Pos Late 100010937 2990 660.55616 oleoylcarnitine (C18:1) Lipid Fatty Acid Metabolism(Acyl Carnitine) 35160 LC/MS Pos Late 100001501 1423 426.35779 38677-66-6 6441392;53477789 HMDB05065 oleoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53260 LC/MS Pos Late 100009331 1449 368.35231 oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* Lipid Diacylglycerol 54970 LC/MS Pos Late 100010944 2819 634.54051 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] Lipid Diacylglycerol 46798 LC/MS Pos Late 100002989 3115 636.55616 106292-55-1 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] Lipid Diacylglycerol 46799 LC/MS Pos Late 100002990 3223 636.55616 104346-53-4 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* Lipid Diacylglycerol 54945 LC/MS Pos Late 100010918 3571 638.57181 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* Lipid Diacylglycerol 54946 LC/MS Pos Late 100010919 3695 638.57181 O-methylcatechol sulfate Xenobiotics Benzoate Metabolism 46111 LC/MS Neg 100004208 2344 203.00196 22473 ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos Early 444 2800 133.09716 3184-13-2 6262 C00077 HMDB03374 orotate Nucleotide Pyrimidine Metabolism, Orotate containing 1505 LC/MS Polar 445 1638.1 155.00983 50887-69-9 967 C00295 HMDB00226 orotidine Nucleotide Pyrimidine Metabolism, Orotate containing 35172 LC/MS Polar 100001416 2250 287.05209 314-50-1 92751 C01103 HMDB00788 O-sulfo-L-tyrosine Xenobiotics Chemical 45413 LC/MS Neg 100005384 990 260.02343 514186 oxalate (ethanedioate) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 20694 LC/MS Neg 100000841 603 88.98803 144-62-7 971 C00209 HMDB02329 palmitate (16:0) Lipid Long Chain Fatty Acid 1336 LC/MS Neg 424 5618 255.23295 57-10-3 985 C00249 HMDB00220 palmitic amide Lipid Fatty Acid, Amide 42095 LC/MS Neg 100003915 6690 254.24893 629-54-9 69421 palmitoleate (16:1n7) Lipid Long Chain Fatty Acid 33447 LC/MS Neg 452 5475 253.2173 373-49-9 445638 C08362 HMDB03229 palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* Lipid Diacylglycerol 57406 LC/MS Pos Late 100015681 2528 632.52486 palmitoleoylcarnitine (C16:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 53223 LC/MS Pos Late 100009406 1357 398.32649 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* Lipid Diacylglycerol 54967 LC/MS Pos Late 100010930 2664 608.52486 palmitoyl dihydrosphingomyelin (d18:0/16:0)* Lipid Sphingolipid Metabolism 52434 LC/MS Pos Late 100008954 2290 705.5905 9939965 palmitoyl ethanolamide Lipid Endocannabinoid 38165 LC/MS Neg 1489 6300 298.27515 544-31-0 4671 C16512 HMDB02100 palmitoyl sphingomyelin (d18:1/16:0) Lipid Sphingolipid Metabolism 37506 LC/MS Pos Late 100002107 2168 703.57485 6254-89-3 9939941 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* Lipid Diacylglycerol 54957 LC/MS Pos Late 100010924 2916 634.54051 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* Lipid Diacylglycerol 54958 LC/MS Pos Late 100010925 3015 634.54051 palmitoylcarnitine (C16) Lipid Fatty Acid Metabolism(Acyl Carnitine) 44681 LC/MS Pos Late 100000776 1425 400.34214 6865-14-1 461 C02990 HMDB00222 palmitoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 52944 LC/MS Pos Late 100009233 1482 342.33666 151731 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* Lipid Diacylglycerol 52633 LC/MS Pos Late 100009052 3080 610.54051 9543695 HMDB05207,HMDB07103 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* Lipid Diacylglycerol 52634 LC/MS Pos Late 100009055 3197 610.54051 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* Lipid Diacylglycerol 54942 LC/MS Pos Late 100010917 3695 612.55616 pantothenate Cofactors and Vitamins Pantothenate and CoA Metabolism 1508 LC/MS Neg 1024 1498.7 218.10339 137-08-6 6613 C00864 HMDB00210 paraxanthine Xenobiotics Xanthine Metabolism 18254 LC/MS Neg 100000453 2279 179.05745 611-59-6 4687 C13747 HMDB01860 p-cresol sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 36103 LC/MS Neg 100001315 2890 187.00705 3233-57-7 4615423 C01468 HMDB11635 p-cresol-glucuronide* Amino Acid Phenylalanine and Tyrosine Metabolism 48841 LC/MS Neg 100006191 2420 283.08232 17680-99-8 154035 HMDB11686 pentadecanoate (15:0) Lipid Long Chain Fatty Acid 1361 LC/MS Neg 980 5521 241.2173 1002-84-2;10002-84-2 13849 C16537 HMDB00826 perfluorooctanesulfonic acid (PFOS) Xenobiotics Chemical 57564 LC/MS Polar 100010955 662 498.93021 1763-23-1 74483 C18142 HMDB59586 phenol sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 32553 LC/MS Neg 100001510 2156 172.9914 937-34-8 74426 C02180 HMDB60015 phenylacetate Amino Acid Phenylalanine and Tyrosine Metabolism 15958 LC/MS Neg 100000011 2150 135.04515 103-82-2 999 C07086 HMDB00209 phenylacetylcarnitine Peptide Acetylated Peptides 48425 LC/MS Pos Early 100006108 3092 280.15434 287108-21-8 phenylacetylglutamate Peptide Acetylated Peptides 52925 LC/MS Pos Early 100009045 2357 266.1023 11579826 HMDB59772 phenylacetylglutamine Peptide Acetylated Peptides 35126 LC/MS Pos Early 100001417 2145 265.11829 28047-15-6 92258 C04148 HMDB06344 phenylalanine Amino Acid Phenylalanine and Tyrosine Metabolism 64 LC/MS Pos Early 460 2878 166.08626 63-91-2 6140 C00079 HMDB00159 phenyllactate (PLA) Amino Acid Phenylalanine and Tyrosine Metabolism 22130 LC/MS Neg 100000774 2208 165.05571 828-01-3 3848 C05607 HMDB00779 phenylpyruvate Amino Acid Phenylalanine and Tyrosine Metabolism 566 LC/MS Neg 241 2517.6 163.04007 156-06-9 997 C00166 HMDB00205 phosphate Energy Oxidative Phosphorylation 42109 LC/MS Pos Early 461 576 98.98418 7664-38-2 1061 C00009 HMDB01429 choline phosphate Lipid Phospholipid Metabolism 34396 LC/MS Pos Early 267 700 184.07332 72556-74-2 1014 C00588 HMDB01565 phosphoethanolamine Lipid Phospholipid Metabolism 1600 LC/MS Pos Early 1026 700 142.02638 1071-23-4 1015 C00346 HMDB00224 phytanate Xenobiotics Food Component/Plant 598 LC/MS Neg 466 5908 311.29555 14721-66-5 26840 C01607 HMDB00801,HMDB00417,HMDB00801,HMDB00553 picolinate Amino Acid Tryptophan Metabolism 1512 LC/MS Pos Early 1022 910 124.03931 98-98-6 1018 C10164 HMDB02243 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Lipid Fatty Acid Metabolism(Acyl Carnitine) 53224 LC/MS Pos Early 100009407 2773 304.17547 pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.08626 4043-87-2 849 C00408 HMDB00070 piperine Xenobiotics Food Component/Plant 33935 LC/MS Pos Late 100001267 1168 286.14377 94-62-2 638024 C03882 HMDB29377 pregn steroid monosulfate* Lipid Steroid 32619 LC/MS Neg 100002067 5000 397.20541 1247-64-9 pregnanediol-3-glucuronide Lipid Steroid 40708 LC/MS Neg 100003470 5145 495.29634 1852-49-9 123796 pregnanolone/allopregnanolone sulfate Lipid Steroid 48394 LC/MS Neg 100006173 5160 397.20541 pregnen-diol disulfate* Lipid Steroid 32562 LC/MS Neg 100001993 3868 238.07747 pregnenolone sulfate Lipid Steroid 38170 LC/MS Neg 100002129 5100 395.18976 1247-64-9 105074 HMDB00774 pristanate Lipid Fatty Acid, Branched 38271 LC/MS Neg 477 5773 297.2799 1189-37-3 123929 HMDB00795 proline Amino Acid Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos Early 480 1603 116.07061 147-85-3 145742 C00148 HMDB00162 prolylglycine Peptide Dipeptide 40703 LC/MS Pos Early 100003674 2136 173.09207 2578-57-6 7408076;6426709 pro-hydroxy-pro Amino Acid Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos Early 100001167 2128 229.11829 18684-24-7 11673055 HMDB06695 propionylcarnitine (C3) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos Early 100001162 2590 218.13869 17298-37-2 107738 C03017 HMDB00824 propionylglycine Lipid Fatty Acid Metabolism (also BCAA Metabolism) 31932 LC/MS Neg 100001150 960 130.05096 21709-90-0 98681 HMDB00783 propyl 4-hydroxybenzoate sulfate Xenobiotics Benzoate Metabolism 48460 LC/MS Neg 100006264 3971 259.02818 162338-10-5 pseudouridine Nucleotide Pyrimidine Metabolism, Uracil containing 33442 LC/MS Neg 821 1100 243.06226 1445-07-4 15047 C02067 HMDB00767 pyridoxal Cofactors and Vitamins Vitamin B6 Metabolism 1651 LC/MS Pos Early 491 2343 168.06552 65-22-5 1050 C00250 HMDB01545 pyridoxate Cofactors and Vitamins Vitamin B6 Metabolism 31555 LC/MS Neg 100001121 2185 182.04588 82-82-6 6723 C00847 HMDB00017 pyroglutamine* Amino Acid Glutamate Metabolism 46225 LC/MS Pos Early 100001540 1900 129.06586 2353-44-8 134508 pyrraline Xenobiotics Food Component/Plant 48428 LC/MS Neg 100001767 2304 253.11938 74509-14-1 pyruvate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 42582 LC/MS Neg 823 732.4 87.00877 127-17-3 1060 C00022 HMDB00243 quetiapine Xenobiotics Drug 39787 LC/MS Pos Late 100002809 874 384.17403 111974-69-7 5002 C07397,C00458 HMDB05021 quinate Xenobiotics Food Component/Plant 18335 LC/MS Polar 100000442 2432.9 191.05611 77-95-2 6508 C00296 HMDB03072 quinine Xenobiotics Drug 39767 LC/MS Pos Early 100002968 3378 325.19106 130-95-0 2728270 quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1899 LC/MS Pos Early 182 845 168.02914 89-00-9 1066 C03722 HMDB00232 retinal Xenobiotics Food Component/Plant 40807 LC/MS Pos Late 100004088 1666 285.2213 638015 C00376 HMDB01358,HMDB06218 retinol (Vitamin A) Cofactors and Vitamins Vitamin A Metabolism 1806 LC/MS Pos Late 498 1636 269.22639 68-26-8 445354 C00473 HMDB00305 ribitol Carbohydrate Pentose Metabolism 15772 LC/MS Polar 100000406 1789.6 151.06119 488-81-3 6912 C00474 HMDB00508 ribonate Carbohydrate Pentose Metabolism 27731 LC/MS Polar 100001007 2425 165.04046 8/3/5336 5460677 C01685 HMDB00867 ribose Carbohydrate Pentose Metabolism 1471 LC/MS Polar 914 1508.2 195.05103 50-69-1 5779 C00121 HMDB00283 S-1-pyrroline-5-carboxylate Amino Acid Glutamate Metabolism 42370 LC/MS Pos Early 35 1528 114.05496 2906-39-0 1196 C04322 HMDB01301 saccharin Xenobiotics Food Component/Plant 21151 LC/MS Neg 100000870 1999.7 181.99173 81-07-2 5143 D01085 HMDB29723 S-adenosylhomocysteine (SAH) Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42382 LC/MS Neg 197 1832.4 383.11431 979-92-0 439155 C00021 HMDB00939 salicylate Xenobiotics Drug 1515 LC/MS Neg 501 2195 137.02442 69-72-7 338 C00805 HMDB01895 salicyluric glucuronide* Xenobiotics Drug 33384 LC/MS Neg 100001332 1463 370.07797 S-allylcysteine Xenobiotics Food Component/Plant 43239 LC/MS Pos Early 100004509 2690 162.05833 21593-77-1 98280 sarcosine Amino Acid Glycine, Serine and Threonine Metabolism 1516 LC/MS Pos Early 1023 1280 90.05496 107-97-1 1088 C00213 HMDB00271 sebacate (decanedioate) Lipid Fatty Acid, Dicarboxylate 32398 LC/MS Neg 100001211 1788 201.11323 111-20-6 5192 C08277 HMDB00792 serine Amino Acid Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos Early 503 1239 106.04987 56-45-1 5951 C00065 HMDB00187 serotonin Amino Acid Tryptophan Metabolism 2342 LC/MS Pos Early 504 2550 177.10224 153-98-0 5202 C00780 HMDB00259 S-methylcysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 39592 LC/MS Neg 100002749 880 134.02812 1187-84-4 24417 HMDB02108 S-methylcysteine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 43378 LC/MS Pos Early 100002927 900 152.03759 6853-87-8 82142 S-methylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 38127 LC/MS Pos Early 100002183 2584 164.07398 12/7/3493 458 C05319 spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos Early 50 3355 146.16518 124-20-9 1102 C00315 HMDB01257 sphinganine Lipid Sphingolipid Metabolism 17769 LC/MS Pos Late 313 1413 302.30536 3102-56-5 3126 C00836 HMDB00269 sphinganine-1-phosphate Lipid Sphingolipid Metabolism 52605 LC/MS Pos Late 100001876 1431 382.27169 19794-97-9 520 HMDB01383 stearoyl sphingomyelin (d18:1/18:0) Lipid Sphingolipid Metabolism 19503 LC/MS Pos Late 1538 2400 731.60615 85187-10-6;85187-10-6 6453725 C00550 HMDB01348 sphingomyelin (d17:2/16:0, d18:2/15:0)* Lipid Sphingolipid Metabolism 57483 LC/MS Pos Late 100015793 1837 687.54355 sphingomyelin (d18:0/18:0, d19:0/17:0)* Lipid Sphingolipid Metabolism 57473 LC/MS Pos Late 100009027 2362 733.6218 sphingomyelin (d18:0/20:0, d16:0/22:0)* Lipid Sphingolipid Metabolism 57476 LC/MS Pos Late 100015786 2600 761.65311 sphingomyelin (d18:1/14:0, d16:1/16:0)* Lipid Sphingolipid Metabolism 42463 LC/MS Pos Late 100004328 1998 675.54355 11433862 sphingomyelin (d18:1/15:0, d16:1/17:0)* Lipid Sphingolipid Metabolism 52433 LC/MS Pos Late 100006314 2082 689.5592 121999-58-4 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) Lipid Sphingolipid Metabolism 52615 LC/MS Pos Late 100008920 2312 717.5905 121999-64-2 sphingomyelin (d18:1/18:1, d18:2/18:0) Lipid Sphingolipid Metabolism 37529 LC/MS Pos Late 100002106 2167 729.5905 108392-10-5 6443882 sphingomyelin (d18:1/19:0, d19:1/18:0)* Lipid Sphingolipid Metabolism 57475 LC/MS Pos Late 100015787 2330 745.62178 sphingomyelin (d18:1/20:0, d16:1/22:0)* Lipid Sphingolipid Metabolism 48490 LC/MS Pos Late 100006290 2685 759.6375 sphingomyelin (d18:1/20:1, d18:2/20:0)* Lipid Sphingolipid Metabolism 48491 LC/MS Pos Late 100006292 2383 757.6218 222403-67-0 sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* Lipid Sphingolipid Metabolism 57481 LC/MS Pos Late 100006293 2039 755.60615 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* Lipid Sphingolipid Metabolism 52495 LC/MS Pos Late 100009025 2793 773.65311 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* Lipid Sphingolipid Metabolism 48493 LC/MS Pos Late 100006295 2666 785.65311 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* Lipid Sphingolipid Metabolism 57477 LC/MS Pos Late 100006296 2209 783.63746 sphingomyelin (d18:1/24:1, d18:2/24:0)* Lipid Sphingolipid Metabolism 47153 LC/MS Pos Late 100005986 3033 813.68441 94359-13-4 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* Lipid Sphingolipid Metabolism 57478 LC/MS Pos Late 100015792 3220 829.71571 sphingomyelin (d18:2/14:0, d18:1/14:1)* Lipid Sphingolipid Metabolism 47154 LC/MS Pos Late 100005985 1860 673.5279 sphingomyelin (d18:2/16:0, d18:1/16:1)* Lipid Sphingolipid Metabolism 42459 LC/MS Pos Late 100004329 2002 701.5592 sphingomyelin (d18:2/18:1)* Lipid Sphingolipid Metabolism 57474 LC/MS Pos Late 100015788 1904 727.57485 sphingomyelin (d18:2/21:0, d16:2/23:0)* Lipid Sphingolipid Metabolism 57480 LC/MS Pos Late 100015790 2330 771.63748 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* Lipid Sphingolipid Metabolism 52435 LC/MS Pos Late 100008956 2845 799.66868 sphingomyelin (d18:2/23:1)* Lipid Sphingolipid Metabolism 57482 LC/MS Pos Late 100015791 2315 797.65308 sphingomyelin (d18:2/24:1, d18:1/24:2)* Lipid Sphingolipid Metabolism 52437 LC/MS Pos Late 100008957 2635 811.66868 sphingomyelin (d18:2/24:2)* Lipid Sphingolipid Metabolism 57479 LC/MS Pos Late 100015789 2215 809.65308 sphingosine Lipid Sphingolipid Metabolism 17747 LC/MS Pos Late 297 1393 300.28971 123-78-4 5353955 C00319 HMDB00252 sphingosine 1-phosphate Lipid Sphingolipid Metabolism 34445 LC/MS Pos Late 100000626 1375 380.25604 26993-30-6 5283560 C06124 HMDB00277 stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos Early 100001296 1440 144.10191 4136-37-2 115244 C10172 HMDB04827 stearate (18:0) Lipid Long Chain Fatty Acid 1358 LC/MS Neg 439 5872 283.26425 57-11-4 5281 C01530 HMDB00827 stearidonate (18:4n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 33969 LC/MS Neg 100001229 5395 275.20165 111174-40-4 5312508 C16300 HMDB06547 stearoyl ethanolamide Lipid Endocannabinoid 38625 LC/MS Pos Late 100002254 1787 328.32101 111-57-9 27902 HMDB13078 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* Lipid Diacylglycerol 57450 LC/MS Pos Late 100010949 3404 662.57181 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* Lipid Diacylglycerol 57449 LC/MS Pos Late 100010950 3522 662.57181 stearoylcarnitine (C18) Lipid Fatty Acid Metabolism(Acyl Carnitine) 34409 LC/MS Pos Late 100001391 1485 428.37344 18822-91-8 6426855 HMDB00848 stearoylcholine* Lipid Fatty Acid Metabolism (Acyl Choline) 57464 LC/MS Pos Late 100015759 1520 370.36797 stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* Lipid Diacylglycerol 54947 LC/MS Pos Late 100010921 3762 638.57181 suberate (octanedioate) Lipid Fatty Acid, Dicarboxylate 15730 LC/MS Neg 100000016 804.3 173.08193 505-48-6 10457 C08278 HMDB00893 suberoylcarnitine (C8-DC) Lipid Fatty Acid Metabolism(Acyl Carnitine) 52990 LC/MS Pos Early 100006627 2964 318.19112 succinate Energy TCA Cycle 1437 LC/MS Neg 252 603 117.01933 110-15-6 1110 C00042 HMDB00254 succinimide Xenobiotics Chemical 41888 LC/MS Polar 100003696 2155 116.03532 123-56-8 11439 C07273 succinylcarnitine (C4-DC) Energy TCA Cycle 37058 LC/MS Pos Early 100001948 2291 262.12852 256928-74-2 HMDB61717 sucralose Xenobiotics Food Component/Plant 36649 LC/MS Neg 100001789 3140 395.00727 56038-13-2 71485 C12285 HMDB31554 sulfate* Xenobiotics Chemical 46960 LC/MS Neg 100002528 616 96.9601 14808-79-8 1118 C00059 HMDB01448 tartarate Xenobiotics Food Component/Plant 15336 LC/MS Neg 100000295 615.3 149.00916 87-69-4;6106-24-7 444305 C00898 HMDB00956 tartronate (hydroxymalonate) Xenobiotics Bacterial/Fungal 20693 LC/MS Neg 100000840 610 118.99859 80-69-3 45 C02287 HMDB35227 taurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Neg 512 690 124.00739 107-35-7 1123 C00245 HMDB00251 tauro-beta-muricholate Lipid Primary Bile Acid Metabolism 33983 LC/MS Neg 100001250 4774 514.28439 25696-60-0 168408 HMDB00932 taurochenodeoxycholate Lipid Primary Bile Acid Metabolism 18494 LC/MS Neg 1629 5250 498.28948 6009-98-9 387316 C05465 HMDB00951 taurocholate Lipid Primary Bile Acid Metabolism 18497 LC/MS Neg 1648 5150 514.28439 145-42-6 6675 C05122 HMDB00036 taurocholenate sulfate Lipid Secondary Bile Acid Metabolism 32807 LC/MS Neg 100001990 4750 279.61422 taurodeoxycholate Lipid Secondary Bile Acid Metabolism 12261 LC/MS Neg 1668 5257.4 498.28948 207737-97-1 2733768 C05463 HMDB00896 taurolithocholate 3-sulfate Lipid Secondary Bile Acid Metabolism 36850 LC/MS Neg 100001658 5026.7 280.62205 64936-83-0 440071 C03642 HMDB02580 testosterone sulfate Lipid Steroid 35668 LC/MS Neg 100001548 4600 367.15846 651-45-6 119207 C00535 HMDB02833 tetradecanedioate Lipid Fatty Acid, Dicarboxylate 35669 LC/MS Neg 100001613 4000 257.17583 821-38-5 13185 HMDB00872 theanine Xenobiotics Food Component/Plant 22206 LC/MS Pos Early 100000784 2180 175.10772 3081-61-6 439378 C01047 HMDB34365 theobromine Xenobiotics Xanthine Metabolism 18392 LC/MS Pos Early 100000445 1600 181.07201 83-67-0 5429 C07480 HMDB02825 theophylline Xenobiotics Xanthine Metabolism 18394 LC/MS Pos Early 100000437 1870 181.07201 58-55-9 2153 C07130 HMDB01889 thioproline Xenobiotics Chemical 53231 LC/MS Pos Early 100009232 1250 134.02703 34592-47-4 93176;6973609 threonate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 27738 LC/MS Polar 100001022 2384 135.02989 70753-61-6 151152 C01620 HMDB00943 threonine Amino Acid Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos Early 564 1514 120.06552 72-19-5 6288 C00188 HMDB00167 thymol sulfate Xenobiotics Food Component/Plant 36095 LC/MS Neg 100001757 4410 229.054 89-83-8 C09908 HMDB01878 thyroxine Amino Acid Phenylalanine and Tyrosine Metabolism 2761 LC/MS Neg 1094 4808 775.67944 51-48-9 5819 C01829 HMDB01918 tigloylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 48980 LC/MS Neg 1161 1886 156.06661 35842-45-6 6441567 HMDB00959 tiglylcarnitine (C5:1-DC) Amino Acid Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos Early 100001597 2962 244.15434 64191-86-2 22833596 HMDB02366 trans-urocanate Amino Acid Histidine Metabolism 607 LC/MS Pos Early 537 2285 139.05021 104-98-3 736715 C00785 HMDB00301 tricosanoyl sphingomyelin (d18:1/23:0)* Lipid Sphingolipid Metabolism 52436 LC/MS Pos Late 100008955 3200 801.68441 trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos Early 100001092 1388 138.05496 535-83-1 5570 C01004 HMDB00875 trimethylamine N-oxide Lipid Phospholipid Metabolism 40406 LC/MS Pos Early 100003397 2100 76.07569 1184-78-7 1145 C01104 HMDB00925 tryptophan Amino Acid Tryptophan Metabolism 54 LC/MS Pos Early 565 2986 205.09716 73-22-3 6305 C00078 HMDB00929 tryptophan betaine Amino Acid Tryptophan Metabolism 37097 LC/MS Pos Early 100001743 2673 247.14411 20671-76-5 442106 C09213 HMDB61115 tyramine O-sulfate Amino Acid Phenylalanine and Tyrosine Metabolism 48408 LC/MS Neg 100006092 1565 216.0336 30223-92-8 153005 HMDB06409 tyrosine Amino Acid Phenylalanine and Tyrosine Metabolism 1299 LC/MS Pos Early 815 2430 182.08117 60-18-4 6057 C00082 HMDB00158 umbelliferone sulfate Xenobiotics Food Component/Plant 48674 LC/MS Neg 100006282 2442.8 240.98123 69526-88-1 129659 uracil Nucleotide Pyrimidine Metabolism, Uracil containing 605 LC/MS Polar 825 1089.7 111.02 66-22-8 1174 C00106 HMDB00300 urate Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1604 LC/MS Neg 1134 757.1 167.02106 69-93-2;120K5305 1175 C00366 HMDB00289 urea Amino Acid Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos Early 533 700 121.07201 57-13-6 1176 C00086 HMDB00294 uridine Nucleotide Pyrimidine Metabolism, Uracil containing 606 LC/MS Neg 535 1457.6 243.06226 58-96-8 6029 C00299 HMDB00296 ursodeoxycholate Lipid Secondary Bile Acid Metabolism 1605 LC/MS Neg 1135 5055 391.28538 128-13-2 31401 C07880 HMDB00946 ursodeoxycholate sulfate (1) Lipid Secondary Bile Acid Metabolism 52970 LC/MS Neg 100009261 4328 235.11746 valerate Lipid Short Chain Fatty Acid 33443 LC/MS Neg 1136 1718 101.0608 109-52-4 7991 C00803 HMDB00892 valine Amino Acid Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos Early 566 2479 118.08626 72-18-4 6287 C00183 HMDB00883 valylglutamine Peptide Dipeptide 42079 LC/MS Pos Early 100003640 2295 246.14484 42854-54-6 5253209 valylglycine Peptide Dipeptide 40475 LC/MS Neg 100003641 1506 173.09316 686-43-1 136487 HMDB29127 valylleucine Peptide Dipeptide 39994 LC/MS Pos Early 100003210 3138 231.17032 22906-55-4 352039 HMDB29131 vanillactate Amino Acid Phenylalanine and Tyrosine Metabolism 54910 LC/MS Neg 100006129 1625 211.06119 2475-56-1 160637 HMDB00913 vanillylmandelate (VMA) Amino Acid Phenylalanine and Tyrosine Metabolism 1567 LC/MS Neg 1111 941 197.04555 55-10-7 1245 C05584 HMDB00291 xanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3147 LC/MS Polar 1004 2023 151.02615 69-89-6 1188 C00385 HMDB00292 xanthosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 15136 LC/MS Neg 100000299 1075 283.0684 146-80-5 64959 C01762 HMDB00299 xanthurenate Amino Acid Tryptophan Metabolism 15679 LC/MS Pos Early 100000015 2236 206.04479 59-007 5699 C02470 HMDB00881 ximenoylcarnitine (C26:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57517 LC/MS Pos Late 100015836 1607 538.48299 METABOLITES_END #END