#METABOLOMICS WORKBENCH JFerguson_20211213_103824_mwtab.txt DATATRACK_ID:2982 STUDY_ID:ST002020 ANALYSIS_ID:AN003290 PROJECT_ID:PR001282 VERSION 1 CREATED_ON December 13, 2021, 10:42 am #PROJECT PR:PROJECT_TITLE TIPs Metabolomics PR:PROJECT_SUMMARY Healthy omnivorous women underwent a short-term dietary intervention. Plasma and PR:PROJECT_SUMMARY urine samples were collected before and after the 4-day vegetarian diet. 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 TIPs Metabolomics ST:STUDY_SUMMARY A prospective cohort of 38 European (EA) and African American (AA) omnivorous ST:STUDY_SUMMARY females were recruited. Samples were collected pre-intervention while subjects ST:STUDY_SUMMARY consumed habitual animal-based diet, and following 4 days of interventional ST:STUDY_SUMMARY vegetarian diet. 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:GENDER Female #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 - MB-02_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-02_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-03_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-03_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-04_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-04_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-05_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-05_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-06_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-06_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-07_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-07_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-08_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-08_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-09_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-09_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-10_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-10_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-11_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-11_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-12_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-12_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-13_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-13_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-14_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-14_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-15_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-15_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-16_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-16_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-17_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-17_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-19_V1 Diet:Pre | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-19_V2 Diet:Post | Study Phase:1 SUBJECT_SAMPLE_FACTORS - MB-20_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-20_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-21_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-21_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-22_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-22_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-23_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-23_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-24_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-24_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-25_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-25_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-26_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-26_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-27_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-27_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-29_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-29_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-30_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-30_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-31_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-31_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-32_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-32_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-33_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-33_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-34_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-34_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-35_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-35_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-36_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-36_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-37_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-37_V2 Diet:Post | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-38_V1 Diet:Pre | Study Phase:2 SUBJECT_SAMPLE_FACTORS - MB-38_V2 Diet:Post | Study Phase:2 #COLLECTION CO:COLLECTION_SUMMARY Whole blood (EDTA tube) and midstream urine samples were collected in the early CO:COLLECTION_SUMMARY mornings of study days 1 and 6 with subjects in a 10-hour fasted state. CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY All participants completed a dietary intervention. Vegetarian menus encompassing TR:TREATMENT_SUMMARY four days of 3 meals and 2 snacks per day were developed. Menus were designed to TR:TREATMENT_SUMMARY be a major shift from habitual omnivorous intakes by eliminating all meat, fish, TR:TREATMENT_SUMMARY poultry, eggs, and dairy products. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Urine samples were prepared for metabolomics anayses at Metabolon Inc. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME none CH:COLUMN_NAME none #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 Extracts were divided into fractions for analysis: two for analysis by two MS:MS_COMMENTS separate reverse phase (RP)/UPLC-MS/MS methods with positive ion mode MS:MS_COMMENTS electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with negative MS:MS_COMMENTS ion mode ESI, and one for analysis by HILIC/UPLC-MS/MS with negative ion mode MS:MS_COMMENTS ESI. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS osmolality normalized scaled imputed MS_METABOLITE_DATA_START Samples MB-02_V1 MB-02_V2 MB-03_V1 MB-03_V2 MB-04_V1 MB-04_V2 MB-05_V1 MB-05_V2 MB-06_V1 MB-06_V2 MB-07_V1 MB-07_V2 MB-08_V1 MB-08_V2 MB-09_V1 MB-09_V2 MB-10_V1 MB-10_V2 MB-11_V1 MB-11_V2 MB-12_V1 MB-12_V2 MB-13_V1 MB-13_V2 MB-14_V1 MB-14_V2 MB-15_V1 MB-15_V2 MB-16_V1 MB-16_V2 MB-17_V1 MB-17_V2 MB-19_V1 MB-19_V2 MB-20_V1 MB-20_V2 MB-21_V1 MB-21_V2 MB-22_V1 MB-22_V2 MB-23_V1 MB-23_V2 MB-24_V1 MB-24_V2 MB-25_V1 MB-25_V2 MB-26_V1 MB-26_V2 MB-27_V1 MB-27_V2 MB-29_V1 MB-29_V2 MB-30_V1 MB-30_V2 MB-31_V1 MB-31_V2 MB-32_V1 MB-32_V2 MB-33_V1 MB-33_V2 MB-34_V1 MB-34_V2 MB-35_V1 MB-35_V2 MB-36_V1 MB-36_V2 MB-37_V1 MB-37_V2 MB-38_V1 MB-38_V2 Factors Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:1 Diet:Post | Study Phase:1 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 Diet:Pre | Study Phase:2 Diet:Post | Study Phase:2 (2,4 or 2,5)-dimethylphenol sulfate 0.2449 0.2449 0.4719 1.9567 1.6167 0.4564 0.7601 1.6877 1.5738 1.7805 0.2993 1.0574 1.2545 0.2449 0.4845 0.2449 0.2449 0.2449 0.4369 0.2997 3.1816 0.4734 16.9607 4.9989 0.9448 0.2449 0.8160 0.3653 1.2654 0.5525 0.8546 0.6171 0.7033 0.2449 2.4676 0.5768 1.5278 1.1368 1.0000 0.4983 1.7702 0.4784 7.5754 1.2150 2.6649 0.4381 0.5686 0.4823 3.0528 5.2038 2.7421 2.8825 4.1801 2.3681 4.1593 0.7737 2.3379 3.3833 0.4660 0.6540 1.7740 0.7870 1.0506 0.8961 0.7829 0.4454 9.4762 2.5298 0.8587 0.3854 (N(1) + N(8))-acetylspermidine 0.6373 1.4174 1.0448 0.9951 0.6884 0.8205 0.7283 1.7049 0.5398 1.0465 1.3138 1.4924 0.4498 0.5554 0.5681 0.7601 0.2749 0.7006 0.6097 0.4468 0.5536 0.6120 1.1896 1.2043 0.8397 0.5903 1.1723 1.1097 1.1610 1.0869 0.5301 0.7910 0.4526 0.4333 1.5201 1.1357 1.2857 1.1112 0.9752 0.8785 1.1676 1.3800 2.0096 1.3238 1.4931 1.2432 0.7231 0.9119 0.7757 1.0049 0.9272 1.2537 1.5017 0.8724 1.6252 1.6125 1.3797 1.9105 0.7311 1.0551 1.3830 1.5358 1.6755 2.2848 0.8130 0.9869 0.7809 0.7708 1.2100 0.6662 (R)-3-hydroxybutyrylcarnitine 0.4700 2.5571 35.4458 1.7576 0.3980 0.2398 0.1712 0.9692 4.4822 0.1712 0.1712 5.1123 0.1712 0.1712 2.6759 0.1712 0.8833 0.1712 10.0139 0.2962 0.1712 0.1712 9.7102 3.0839 0.3198 0.1712 0.1712 0.1712 0.7815 0.1712 0.1712 0.3625 0.4070 1.2678 2.0584 0.1712 0.3562 0.1712 0.1712 0.1712 0.1712 0.7426 0.8539 0.1712 0.1892 2.0373 2.1718 0.1712 14.5829 0.1712 1.0000 0.1712 0.1712 0.1712 0.1712 0.1712 0.3062 0.1712 0.7138 0.1712 1.5220 1.2370 0.4667 0.1712 0.6293 1.4640 2.2605 0.1712 16.6436 0.1712 (S)-3-hydroxybutyrylcarnitine 1.1490 1.7313 5.1513 1.4157 0.4582 0.5070 0.0659 1.0525 1.4830 0.3013 0.1100 0.7551 0.7910 1.2953 2.0595 0.7580 0.8260 1.3111 3.4697 0.5451 0.2715 0.3193 7.1844 3.9873 1.6349 1.2455 1.0299 1.1972 1.6030 0.2363 0.4092 1.4023 0.8547 1.6632 1.6297 0.3978 0.1913 0.9701 1.5098 1.0761 0.1364 0.3912 0.8003 0.8534 0.6627 1.7192 1.6064 0.5260 2.2355 0.1600 1.9077 1.3987 0.9682 1.9115 0.2756 0.2852 0.3479 0.3428 1.2433 0.1915 1.8249 1.0863 1.4818 0.2659 1.6498 2.2747 0.5476 0.3970 4.9455 0.8857 1,2,3-benzenetriol sulfate (1) 0.0645 0.1981 2.8779 1.2359 0.3309 3.7560 3.8789 0.9265 7.6985 10.5347 0.7202 0.3602 5.1703 0.0210 0.1855 1.3883 0.0210 0.6266 16.6351 0.0210 0.9603 5.9000 0.0210 0.1746 0.1290 0.0210 0.8604 1.5571 0.4611 0.0466 0.0210 0.2250 1.8206 0.5820 1.1148 0.4656 1.5461 1.8165 0.2912 2.7928 24.4854 1.0397 1.9042 0.4486 2.3716 1.7132 0.5803 2.1355 0.9028 1.1106 8.4961 7.3779 17.9154 0.0210 0.8515 0.6497 0.1569 1.4803 0.0352 0.6635 0.6448 1.5949 0.8157 1.4554 0.7840 1.0974 7.2538 0.1636 0.2576 3.3972 1,2,3-benzenetriol sulfate (2) 1.0666 0.6057 1.6242 1.1604 0.5123 2.7355 2.6437 1.2423 2.3270 4.4663 0.9101 0.3322 2.7296 0.3409 0.3531 1.3377 0.9667 2.9690 9.5509 0.1739 0.7688 3.0574 0.2939 0.2120 0.2417 0.0947 0.5342 4.5804 0.7705 0.1088 0.6854 0.3407 1.5871 1.1297 1.0436 0.3692 1.6617 2.0587 0.3404 1.7177 8.8255 1.0069 2.3669 1.3629 1.4920 1.1430 0.9312 1.5629 0.9036 0.8610 5.1225 5.0695 7.8192 0.0923 0.9931 0.6898 0.3521 1.1551 0.1060 0.7474 0.7161 1.0629 0.8392 1.0959 0.7007 0.8546 4.3832 0.3632 0.2959 2.6806 1,3,7-trimethylurate 5.2046 0.2265 0.3469 0.0379 1.4428 0.0076 1.7327 0.0568 0.0798 0.0076 6.8410 10.3388 10.8297 0.0775 7.7167 0.0076 3.1000 0.0411 0.0076 0.0076 0.4175 0.1195 9.5139 0.0076 8.3891 1.2620 0.9111 0.0076 0.0076 0.0096 1.8808 0.0076 0.0076 0.0076 2.0204 0.0076 4.1388 0.5979 0.0224 0.0076 1.4659 0.0076 1.6321 4.0510 0.9128 0.0076 2.9347 0.0076 10.9632 0.5959 2.5434 1.0872 0.3221 0.0076 0.5067 0.0076 0.3879 0.0300 0.1713 0.0076 0.1064 0.0263 0.1274 0.0076 0.6915 1.4732 4.0863 7.5153 8.1977 0.0076 1,3-dimethylurate 13.1617 1.0000 3.0269 0.8070 15.2386 0.1639 6.7089 0.5981 0.2234 0.5248 44.0647 57.1322 36.0234 0.8037 32.8889 0.3824 7.3491 0.7579 0.3928 0.2732 1.8150 1.1895 69.1388 0.2547 46.1071 9.3964 9.7928 0.2273 0.2979 0.3978 7.3341 0.1785 0.2965 0.0091 22.3901 0.0918 2.8111 0.1896 0.0132 0.0091 2.0841 0.0091 3.4094 5.1487 1.1143 0.0091 4.3469 0.0091 12.0855 0.9162 2.5225 1.3688 0.8656 0.0091 0.0091 0.0091 0.5190 0.1120 0.2328 0.0091 0.0091 0.0294 0.1983 0.0091 0.3564 0.6564 1.9575 6.5521 4.5103 0.0091 1,5-anhydroglucitol (1,5-AG) 0.9084 0.6853 1.1911 0.9189 1.9572 0.6972 0.5135 1.3913 0.5864 0.8689 0.8021 0.5558 1.1105 0.6926 0.6606 0.7770 0.6607 1.1989 1.0317 0.8122 0.7431 0.2678 1.0501 0.8490 1.4055 1.1081 1.0596 1.1416 1.8602 1.7615 0.8785 0.6377 0.5554 0.3543 3.8711 0.7142 1.0508 1.1421 0.9791 1.1385 0.8841 0.6262 1.3542 1.1938 0.8926 0.9856 1.0249 0.4438 1.1106 1.1941 1.2034 1.2640 1.0037 1.1414 1.4685 1.3623 0.5429 0.8034 0.8055 0.7653 1.2878 1.0523 0.5633 1.0000 1.3389 1.3985 0.7388 0.2678 1.4069 1.0784 1,6-anhydroglucose 0.7932 0.6524 1.4758 0.0848 18.2816 0.6240 0.8314 0.8164 0.1207 0.8676 1.6807 2.9843 2.5215 0.4857 0.3242 1.0001 0.9999 0.5713 1.8528 0.4681 4.4645 8.7812 1.8161 0.9944 0.2427 0.4598 1.0661 0.5772 18.8475 4.1843 0.1834 0.1192 2.6902 0.6408 0.0848 1.0417 8.1321 1.0908 0.1389 1.4124 3.7122 1.4429 1.7523 0.7384 4.8413 0.6060 2.1586 1.1530 3.0369 2.9599 12.6169 0.5727 0.9490 1.8530 10.3961 0.7788 0.4519 2.1567 0.3906 0.7556 0.7898 0.8513 5.7316 0.3975 29.4615 1.9729 0.5022 0.0848 2.3312 0.4190 1,7-dimethylurate 8.2276 0.4082 1.8062 0.4185 6.1006 0.0011 3.3765 0.2229 0.2889 0.1746 11.4029 16.7906 9.6488 0.3224 12.0016 0.0669 5.4858 0.2094 0.1904 0.0154 2.8398 1.0000 22.5625 0.0344 17.1460 3.8258 4.4338 0.0011 0.0442 0.1403 3.4590 0.0183 0.1487 0.0011 8.7951 0.0232 4.8782 1.1665 0.1757 0.0202 5.4339 0.0344 5.5516 7.1361 3.1421 0.0224 6.0919 0.0234 11.7977 2.1057 5.4996 3.8746 0.9649 0.0089 2.6304 0.0178 1.1674 0.3467 0.7259 0.0011 0.6432 0.1398 0.4223 0.0111 0.7283 1.2068 5.0534 8.9619 11.3660 0.0185 11-dehydrocorticosterone sulfate 0.1638 0.1638 0.4726 0.6853 0.1638 0.2374 0.5549 1.3519 0.6100 1.3020 3.5507 1.1771 1.0195 1.0045 0.6927 2.4618 0.1638 0.1638 0.2950 0.4834 0.1638 0.8369 0.4687 0.9732 1.2546 0.3345 0.1638 0.2534 0.2133 0.3091 0.5274 1.3322 0.1638 0.1638 0.1638 0.9636 2.4678 2.8286 1.0059 1.0458 3.0196 1.0095 1.7651 0.9413 0.4077 1.1542 1.1841 1.0067 1.0038 1.0980 0.8812 0.8737 1.1554 0.8182 0.5491 2.0161 0.4044 1.7937 0.9962 2.6737 0.2702 0.4299 0.1638 1.9974 0.3170 3.3245 0.4467 1.6243 1.3590 2.1404 11-ketoetiocholanolone glucuronide 0.6870 1.4502 0.6698 0.5788 0.9207 0.4604 0.9641 2.5888 0.0369 0.0908 1.8377 1.7085 0.5512 0.5107 1.0359 1.3844 0.1846 0.1915 0.9633 0.7685 0.9589 1.7960 2.2206 1.3970 0.8668 0.5447 0.6475 0.7001 1.7933 1.3511 0.5328 0.9272 0.4398 0.5077 0.8499 0.9270 1.6835 3.1566 2.1493 2.4341 2.3612 2.2451 2.6428 2.6044 1.2458 1.1158 1.5270 1.4617 1.3357 0.8945 1.0647 0.7870 1.4281 1.9580 1.9789 2.6732 1.4338 2.9181 0.3743 0.7774 1.4670 0.8718 0.5302 1.9764 1.8122 1.7057 0.4815 0.9236 0.2747 0.2397 11-ketoetiocholanolone sulfate 0.3929 0.9642 1.4672 1.3785 0.8367 0.9358 0.3520 1.0626 0.4603 1.1363 1.2605 1.8537 0.6807 0.9800 0.8670 2.3500 0.0836 0.5812 1.1645 1.1329 0.4004 0.6632 0.7819 0.8456 0.4876 0.3451 0.7968 0.9116 0.8063 1.3647 0.6458 0.9473 0.7790 0.7183 0.7365 1.3787 1.5725 1.9208 1.4990 2.7519 1.6472 1.3733 2.4346 2.9257 0.6851 0.9931 1.6420 1.1503 2.1486 1.2073 0.6655 1.3315 0.7979 1.0926 2.3133 2.6460 0.4119 0.9359 1.4723 1.6481 1.3013 0.7054 0.7716 2.5505 0.4314 0.8317 1.0069 2.3819 2.4241 1.9657 12-dehydrocholate 0.1141 0.1141 0.1141 1.1620 1.3840 0.1141 0.3682 0.1141 0.3466 0.1141 0.1141 0.1141 0.1141 0.1141 0.1141 0.5915 0.1141 2.5921 0.4685 0.3442 1.3605 1.7828 0.1141 0.1141 3.5448 0.1141 0.3179 0.5894 0.1141 0.1141 0.7395 0.5676 6.9500 3.2451 0.1141 0.6909 0.1141 0.2754 0.1601 0.3183 4.6191 3.9479 0.7053 2.7964 0.4403 3.5905 2.4800 0.2143 0.1141 1.4907 0.3545 2.0343 3.0137 1.4273 1.0393 1.7954 0.3008 0.3285 0.1141 0.1141 1.3409 0.8849 0.9607 0.1141 1.0924 1.4806 0.1141 0.1141 0.1141 0.1141 16a-hydroxy DHEA 3-sulfate 0.6274 1.0909 0.8879 1.3383 0.8855 0.9902 0.1617 1.1687 0.3354 0.5700 0.5314 2.0017 0.2219 0.8651 2.2001 5.2698 0.2542 1.0098 0.7706 1.3649 0.1110 0.3109 1.5009 1.9426 0.5704 0.8344 0.6013 1.3544 0.3134 1.0346 1.1670 2.3776 0.7536 1.4430 0.5800 1.4749 0.4882 1.1562 1.7354 2.8862 0.8614 1.9315 3.2578 5.0658 0.1373 0.2307 2.5636 1.7570 1.8386 1.5092 0.3394 0.7334 0.5244 1.1625 2.1623 2.4160 0.3255 1.5540 1.7256 4.2374 0.5808 0.6920 0.2637 1.1835 0.3263 0.9347 0.5450 0.7143 1.3206 1.5883 17alpha-hydroxypregnanolone glucuronide 0.2942 0.8441 0.8470 0.5364 2.1316 0.6858 0.7896 1.6328 0.2931 1.1052 4.8649 5.1795 0.5992 0.6934 0.4414 1.4268 0.3189 0.8372 1.2113 2.9488 0.5026 0.4250 1.1018 1.3789 3.8588 2.2165 0.8436 0.8393 1.5373 1.0696 2.8166 2.4178 0.3562 0.1533 1.2086 1.1546 0.9877 0.9197 1.5320 0.5181 1.3287 3.6506 1.1977 3.2840 1.0181 1.5374 0.1533 0.1977 0.4677 0.5506 0.6070 1.2912 0.5367 1.7681 1.0123 0.9682 0.6890 4.3113 0.9789 3.3782 1.6475 1.3687 0.5902 0.4365 0.8628 1.7386 0.5506 1.3562 0.1533 0.6016 1-carboxyethylisoleucine 0.7450 0.6725 0.8413 0.6529 1.4189 0.8520 1.5874 2.1620 0.6468 1.0236 1.0550 1.4016 1.1910 0.4296 0.5381 0.3835 0.3009 0.4805 0.4599 0.5367 0.9439 0.5128 0.5749 0.7121 1.2599 0.5636 1.5413 1.1410 1.9450 1.0055 0.7065 0.7443 0.6737 0.4846 2.3798 1.1028 1.2337 1.3505 0.6927 0.5722 3.1291 1.2079 1.4172 0.8573 1.6607 1.1161 0.7985 1.1420 1.3511 0.9613 1.0961 0.9918 0.7611 0.6778 1.4627 1.1737 0.9945 1.1828 0.7493 0.6380 2.3286 1.5516 1.0881 1.0455 2.0899 2.2109 0.5782 1.6592 1.2678 0.8179 1-carboxyethylleucine 0.8656 1.2680 0.9983 0.6789 1.5767 1.1814 1.2055 1.7358 0.8281 1.0194 0.7935 1.0109 2.0043 0.7442 0.5166 0.4071 0.3187 0.6411 0.4799 0.5404 0.8412 0.6047 0.9621 1.0906 1.2205 0.4651 2.1355 1.5987 1.3778 0.7242 0.8150 0.7679 0.6291 0.4501 1.2421 1.0348 0.9574 0.7135 0.6304 0.5089 1.8055 0.7203 0.8734 0.5835 1.6474 1.3911 0.8051 1.2122 1.5656 0.6558 1.0017 1.1663 0.6288 0.5346 1.4749 1.2439 1.0064 1.3956 0.7539 0.6904 2.0570 1.4669 1.0525 1.5491 3.1541 1.8846 1.0360 1.7671 1.3557 0.8003 1-carboxyethylphenylalanine 0.7081 0.9733 0.8120 0.5911 1.6836 0.9444 1.8899 2.1569 0.5065 0.7941 0.5960 0.8908 6.8216 1.4067 0.8483 0.8558 0.6582 0.9840 0.8529 0.9716 0.7897 1.0008 0.6188 0.9183 1.3484 0.9361 3.1216 3.4914 0.9992 0.7431 2.3031 1.0323 0.7536 0.6073 2.7456 1.3372 1.0215 1.2301 1.4236 0.8416 2.5587 0.9779 1.2657 0.9280 2.5919 1.6291 1.9802 1.4986 0.6117 0.9784 1.6618 1.6629 0.6673 0.8902 3.5285 1.4964 0.6344 0.9409 0.9857 0.8842 5.0079 1.7268 1.2296 1.4178 2.2582 1.5440 0.4469 1.0483 3.9684 2.8613 1-carboxyethyltyrosine 0.6742 0.8579 0.7881 0.5282 1.8377 1.0639 1.0673 1.8878 0.4879 0.9235 0.5883 0.7372 2.5814 0.7119 0.5661 0.7593 0.3239 0.5388 0.5393 0.5877 0.7857 0.5431 0.6727 1.0047 1.2442 0.6112 1.9227 1.9612 1.1953 0.6230 1.0060 0.9592 0.5781 0.4735 1.6544 0.9953 1.0095 1.2211 0.4762 0.4157 2.7543 0.8872 1.3311 0.3968 2.1523 1.5099 1.3770 1.1961 0.4157 0.7027 1.6551 1.2099 0.3487 0.9052 3.0828 1.6058 0.9852 1.4853 1.1522 0.5927 3.0530 1.4202 1.1836 1.5877 2.5171 1.2726 0.5560 1.1444 1.6112 1.0660 1-carboxyethylvaline 0.8631 0.9900 0.8888 0.7199 1.0700 0.8109 1.0542 1.8279 0.7782 1.1279 1.1813 1.1657 1.3477 0.5968 0.4778 0.4635 0.3043 0.5005 0.5861 0.5224 0.7445 0.4793 0.5818 0.7366 1.3524 0.4732 1.4303 1.1836 1.5205 0.8457 0.7397 0.6598 0.6865 0.5510 1.8112 1.0317 1.0027 1.2864 0.9019 0.7866 2.5812 1.3785 0.8956 1.0737 1.4182 0.9373 1.3379 1.7031 1.6147 0.9666 1.3890 1.0534 0.7402 0.6744 1.4128 1.2316 1.2354 1.1549 0.8184 0.6993 2.7499 1.3734 0.8983 0.9973 3.6493 2.2551 0.6488 1.2639 1.6364 1.1546 1-kestose 0.1582 0.1582 0.3404 2.7555 6.9092 0.9808 0.1582 0.6129 0.1582 1.5254 0.3782 5.2243 0.1582 0.1582 0.4269 2.0838 0.1582 0.1582 0.1582 0.8555 0.9265 0.1582 0.5894 0.5444 0.1582 0.1582 0.2367 0.5895 1.6835 0.9151 0.1582 1.2233 1.0743 0.7958 8.5545 1.2573 0.8584 3.8251 1.2472 1.0868 2.5853 4.6493 0.7724 0.9805 0.3237 1.0000 2.4570 3.1600 0.1582 0.2572 0.1582 1.9178 0.1582 0.1582 5.2832 3.4256 0.8455 1.7945 0.1582 0.9964 0.7473 2.3463 0.9773 1.0828 3.6827 0.5525 0.1582 0.2490 1.2025 0.1582 1-methyl-4-imidazoleacetate 1.1935 1.9659 0.7325 0.8538 0.5635 0.8194 1.2765 0.8944 1.1725 1.8381 0.7078 0.7776 0.7624 1.8141 1.1248 0.8977 1.2831 2.5353 0.9420 0.4571 0.5969 0.8165 2.1396 1.1000 0.7136 1.5867 0.7312 1.3639 1.0611 0.5538 0.3975 0.6152 0.5385 1.9713 0.9428 0.5604 1.0085 1.6099 1.0638 1.8497 0.9086 2.4105 0.7747 2.8957 0.5001 0.6977 2.0256 1.9524 1.6094 1.1615 1.1703 0.9915 0.8006 0.5512 0.5656 1.9161 0.4015 0.6659 0.5235 0.6185 1.0765 1.4329 0.5445 0.6416 2.1172 1.4715 1.0116 2.8539 3.9906 1.7265 1-methyl-5-imidazoleacetate 3.2463 0.3918 1.6423 0.1859 0.3956 0.1596 4.1328 0.3343 0.7789 0.1075 6.9933 0.7897 0.6898 0.3546 3.6826 0.4403 11.7371 0.5001 2.9327 1.0063 2.4350 0.2946 6.7387 0.3324 0.9715 0.4570 3.2286 1.1877 4.8586 1.7003 10.3616 0.8928 4.8963 0.8237 1.9942 0.1594 3.8531 0.3759 2.8951 0.8149 0.1699 1.3276 0.9937 0.5551 1.7029 0.1706 8.8608 0.5849 7.2004 0.3381 4.0727 0.4706 11.3984 6.0917 3.9495 1.8578 9.0622 0.3844 3.1408 0.8296 3.7992 0.3311 1.1070 0.2543 4.5371 0.4855 1.4555 0.5723 11.8797 0.8866 1-methyladenine 0.7653 1.0605 0.4698 0.7505 1.0080 0.7300 0.7385 1.0335 0.5113 1.3442 0.7615 0.9352 0.9182 0.9605 0.9624 1.1494 0.4444 1.0223 0.5881 3.3137 0.9657 0.8532 1.0309 1.0000 0.7285 3.0992 0.6871 1.3391 0.7757 0.8132 0.4760 0.8416 0.4997 0.4444 1.4362 0.4444 0.9219 1.7690 1.6621 1.4405 1.0605 2.1434 0.7284 1.7150 0.7292 0.6584 1.7736 1.6929 0.8655 1.1197 1.4415 1.3640 1.2101 1.2208 0.7345 1.9786 0.6703 1.2187 0.6715 0.7338 1.3666 0.9295 1.0325 0.5568 2.3573 1.6401 1.5227 1.9573 0.4444 1.8587 1-methyladenosine 0.8774 1.3655 0.7896 0.9529 0.9589 0.9440 0.8532 1.4369 0.6656 1.2728 0.9348 0.8776 0.6840 1.4056 0.6750 1.0215 0.6021 1.5581 0.8182 0.6952 0.8260 0.8425 1.4682 1.1068 0.8755 0.8313 0.7690 1.0448 0.9245 1.0324 0.6056 0.6738 0.5531 0.6892 1.0445 0.7020 1.2270 1.4105 1.1917 1.7417 1.1746 1.8937 1.0221 1.9518 0.9175 1.0031 1.7180 1.6045 1.5379 1.2224 1.0500 1.2362 0.8694 0.8779 0.9689 1.8888 0.8624 1.3641 0.7699 0.9495 1.2962 1.1934 0.9969 0.9684 1.7874 1.7755 0.9170 1.5490 2.7436 1.8138 1-methylguanidine 0.4805 0.7811 1.0956 0.9306 0.7443 0.7792 0.6088 1.1524 0.6101 0.9139 1.4135 3.8328 0.8737 0.9370 0.9366 0.8252 0.3340 0.3340 0.4248 0.4468 1.0276 0.7406 0.9465 1.0951 0.6120 0.3340 1.7684 0.8076 1.5591 0.7714 0.7043 0.9077 1.7723 0.5888 3.3428 1.2267 1.3338 1.3082 0.6503 0.9145 0.6380 1.1201 0.8341 1.2090 0.7356 0.7357 2.1387 1.7874 1.6087 1.0588 1.2993 0.9202 1.8874 1.3783 0.7185 1.5381 1.3598 0.9849 0.5216 0.6157 1.0151 1.2141 1.7569 1.3349 2.9796 2.2074 1.8033 1.1281 3.2861 1.8668 1-methylguanine 0.6400 1.1645 0.4370 0.6697 0.7723 0.3955 0.7176 1.1900 0.5884 1.3080 1.6604 0.5521 0.4910 0.9329 0.9347 1.3109 0.6189 1.8757 1.0111 3.5418 0.8988 0.7986 1.5662 1.2121 0.7724 0.6611 0.7360 1.9242 0.8595 0.9553 0.5179 0.7861 0.6922 0.8903 0.7385 0.1436 0.9259 1.5313 0.9310 1.8561 1.3882 2.3504 0.1927 1.5118 0.3507 0.4210 1.4070 1.6021 1.2930 1.4026 1.5894 1.2696 1.2143 1.2574 0.6638 1.0411 0.8904 1.3047 0.8239 1.1076 1.4086 1.5424 1.2039 0.4158 2.6249 2.8409 0.9889 1.1699 2.2559 1.8949 1-methylguanosine 0.4687 0.7007 0.9765 0.8319 1.0120 0.8770 0.7019 1.6985 0.7819 1.1848 1.2844 1.2836 0.6749 0.8493 0.5594 0.7893 0.2902 0.7217 0.5934 0.3699 0.7385 0.8113 0.9914 1.1310 1.0809 0.5399 1.1094 0.8160 1.2196 1.0572 0.6588 0.8462 0.3253 0.3664 1.3844 0.9012 1.2688 1.3570 0.9428 0.9713 0.9372 1.1319 1.4018 1.1764 0.9611 1.0086 1.0193 1.5121 1.0348 1.1927 0.7877 1.1162 1.1538 0.9857 1.1563 1.3700 1.0570 1.8978 0.7364 1.1557 0.8549 1.0709 1.3649 1.7586 1.1802 1.4696 0.9696 1.3673 1.3994 0.9438 1-methylhistamine 0.6415 0.8350 0.8673 0.8629 0.6153 0.5987 0.8377 1.4343 0.9248 1.4458 1.5889 1.4961 0.6509 0.6356 0.7277 0.9923 0.3243 0.8311 0.5107 0.4613 1.0863 0.7304 1.3465 1.5591 1.1637 0.6253 0.7523 1.0336 1.1758 0.8611 0.5575 0.8208 0.4061 0.7096 1.5833 1.0385 1.9032 1.9424 0.9521 0.5376 2.0313 1.7860 1.7307 1.7866 1.4603 1.8529 1.0671 1.4161 1.8989 2.7928 0.7300 0.8760 1.0077 0.9320 0.7223 0.5994 1.1492 1.5679 0.6381 0.8016 1.5035 1.5153 1.4163 1.5170 1.7820 2.1314 1.6592 0.8880 1.4878 0.9079 1-methylhistidine 0.4357 0.7786 1.4426 0.9313 0.7080 0.7492 1.2819 1.8357 0.8584 0.9770 1.6670 1.7000 0.8659 0.5567 1.0757 0.8059 0.3058 0.6055 0.6407 0.7324 0.8423 0.6690 0.7796 1.2082 0.9215 0.4648 1.7483 0.9086 2.1183 1.1043 0.7520 0.8524 0.9050 0.5664 2.3685 1.0714 1.6948 1.3668 0.8067 0.6685 0.9340 0.8351 1.9534 0.8786 1.1546 1.2211 1.0072 0.8897 1.5036 0.9994 1.0385 0.9679 1.8322 1.2307 1.7852 1.1477 1.4313 1.9448 0.8636 1.1398 1.4872 1.2983 2.0166 1.7734 1.0768 1.1329 1.0006 0.7687 1.1562 0.6864 1-methylhypoxanthine 0.4845 0.9731 1.3596 1.3456 0.5755 0.5742 0.6575 1.0718 0.7477 1.4915 0.9376 0.6889 0.9136 1.3778 1.0941 2.0473 0.5721 1.6383 1.0692 6.1016 0.9252 0.8940 1.6151 1.6069 0.5495 0.5281 0.8157 2.1999 0.9693 1.0507 0.4774 0.5929 0.5011 0.7854 0.8328 0.5947 1.1713 0.5697 0.6422 1.3928 1.0748 1.6453 0.8460 1.5492 0.7159 1.0269 1.5075 0.9109 1.0543 1.3688 2.3791 2.0640 1.7225 1.1657 0.7903 1.6576 0.7965 1.2683 0.6304 0.8051 0.7527 0.9440 0.9268 0.7819 2.0153 1.8179 1.0277 2.4907 1.3211 2.6135 1-methylnicotinamide 1.8429 4.5634 0.5114 1.3963 0.4193 0.8993 0.7889 2.0163 0.6223 0.9063 1.3605 0.7993 0.9631 4.3657 1.2533 1.1606 1.4682 4.1835 0.6736 0.3020 0.7489 0.9799 2.5177 1.7830 1.0374 1.5858 0.8595 1.4821 0.4527 0.7117 0.4789 0.7418 0.8772 1.7663 0.4653 0.3859 1.0330 1.1417 0.7246 1.7862 0.9674 1.6195 0.8719 1.6539 0.7709 0.8060 2.3531 1.8565 2.2010 1.5338 0.6891 1.1855 0.8823 0.5714 0.5636 1.4321 1.0201 1.0966 0.8196 0.8191 0.9408 1.0926 0.6370 0.8960 0.7633 1.4146 1.0204 4.2760 3.5174 1.9639 1-methylurate 6.0201 1.2715 1.0575 1.0840 1.4861 0.3268 0.5768 0.5660 0.2801 0.7545 6.0011 4.5113 3.1348 1.0179 7.3856 0.6441 3.2182 0.9900 0.6866 0.3120 1.0100 1.1671 17.6505 0.8293 6.2904 3.3691 2.7023 0.7725 0.3394 0.4681 1.9100 0.5070 0.3660 0.4566 3.4674 0.3036 3.0597 0.9224 0.3267 0.3054 4.2209 0.4869 4.8744 9.7924 1.6696 0.3383 3.5008 0.3493 6.9445 1.4490 3.0043 2.6174 3.6771 0.2237 2.4365 0.5071 1.3433 0.5711 0.5356 0.1879 0.7498 0.3990 0.5883 0.3063 0.5549 0.6040 3.7504 13.9727 7.3815 0.3709 1-methylxanthine 13.9627 0.9421 3.3477 0.7156 4.7757 0.1978 2.3610 0.5161 0.5187 0.6056 16.3608 22.2487 12.6132 0.8668 24.6036 0.3099 9.2612 1.0840 0.4517 0.2459 4.9716 1.8940 40.6908 0.4696 29.4703 10.7289 4.2246 0.4833 0.4465 0.3873 5.5402 0.2974 0.2128 0.3502 10.4940 0.2237 3.9666 0.8812 0.1662 0.1766 3.8713 0.1666 6.9541 14.0399 2.4652 0.0866 4.2683 0.1363 11.1785 1.4322 2.9349 2.3130 3.1456 0.1135 1.9445 0.1787 2.2097 0.4132 1.0579 0.0916 0.7475 0.3088 0.5576 0.1108 0.3924 0.7646 7.1717 21.5970 8.3661 0.1536 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 14.1869 1.3923 0.3590 0.6344 2.1277 0.5073 1.1196 3.5723 0.6496 1.1179 0.9357 0.8327 0.2954 0.2954 0.2954 0.4894 1.4717 0.2954 0.2954 0.2954 0.8522 0.7972 2.1393 1.3270 0.4036 6.7924 0.7737 0.9217 0.6726 0.9126 1.1973 0.3745 0.2954 0.2954 0.8129 0.2954 1.0643 0.6516 0.9131 250.2778 4.2364 0.2954 0.8865 2.4519 2.5520 1.2063 17.8307 1.9891 0.6033 1.0779 0.5974 1.7044 2.2777 0.8275 28.0418 1.4255 0.9179 1.1319 0.4701 0.4829 1.4566 0.7519 1.1604 0.5227 0.8046 0.2954 2.2361 0.2954 1.2108 0.2954 1-palmitoylglycerol (16:0) 0.3287 0.3287 0.3408 0.3287 0.3287 0.3287 0.3287 0.3287 0.3287 0.3287 0.4663 0.3287 0.6618 2.1252 0.3287 0.3287 3.0370 4.9712 0.3287 0.9559 0.3287 0.6619 0.3287 0.3287 0.5927 0.3287 0.4199 1.0043 0.3762 0.3287 0.3287 0.3287 0.3287 3.5960 0.3287 0.3287 1.5855 0.9280 1.1511 2.7092 0.5791 1.5934 0.4791 2.4453 0.7247 1.0870 1.8414 1.7797 4.0589 0.5868 0.8279 2.0297 0.7593 3.7935 0.9957 1.8021 1.1562 0.5033 0.5609 0.6009 2.6869 0.7789 0.5180 0.5038 1.2934 1.7507 0.6712 1.5077 5.0363 4.0445 1-ribosyl-imidazoleacetate* 1.3785 2.1049 0.5318 0.8613 1.4246 0.7354 0.6480 0.9848 0.5671 1.0903 0.3864 0.5392 0.8998 3.0446 0.8195 1.0861 0.9998 2.9688 1.1186 1.1274 0.5128 1.0955 2.1938 1.3757 0.4941 1.7053 0.5494 2.4722 0.5989 1.4110 0.3453 0.5470 0.4612 2.2624 0.6393 0.6155 1.1784 1.4613 1.0629 1.9008 1.0783 1.1309 0.7052 1.6579 0.8302 1.0559 1.7097 1.8303 0.5649 1.2766 1.0002 1.3470 0.5693 0.8627 0.6399 1.4409 0.4897 0.9652 0.4814 0.9433 0.7671 0.9323 0.9569 0.9458 1.2920 1.5917 0.5420 1.6555 2.8437 1.9859 2,3-dihydroxy-2-methylbutyrate 0.2836 2.9270 0.2809 0.6486 1.4666 1.9040 1.0908 1.2263 0.0454 0.4650 1.6607 0.5058 0.7061 0.2111 0.6516 0.1971 0.0916 0.3466 1.6245 1.3797 1.1383 0.3707 2.2141 1.5201 0.8338 0.3570 1.9826 1.2153 1.0057 0.8642 0.2852 1.3397 0.3753 0.1383 2.7506 0.4605 1.6094 4.0040 0.7159 2.1211 0.6020 2.7671 1.0864 2.9193 0.1732 0.1844 3.2726 3.3579 3.6992 2.4390 1.0483 0.2569 0.4395 0.6720 0.9943 2.1598 0.2995 0.6206 0.5670 0.2232 1.8983 3.2127 0.2534 0.3293 8.6818 1.2413 1.6359 1.1897 6.9378 0.6987 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0.5964 0.8084 1.0971 0.7717 1.0401 0.8116 0.6984 1.4385 0.6842 0.9500 0.9950 1.2156 0.7240 1.1012 0.7671 0.9071 0.4165 0.9573 0.6287 0.8460 0.6641 0.6694 0.9746 1.2040 1.0050 0.7362 1.0935 0.8213 1.0249 1.1361 0.7785 0.8244 0.5458 0.6551 1.1553 0.7973 1.3670 1.7634 1.0758 1.7586 0.7332 1.4935 0.9912 1.5321 0.9427 1.2257 1.2825 1.9164 0.8225 1.1412 0.8569 1.3891 0.8598 1.1038 1.0320 1.9217 0.6637 1.8390 0.7277 1.4153 1.0649 1.2980 0.9724 1.3969 0.7718 1.6734 1.0426 1.7653 1.2729 1.6642 2,3-dihydroxyisovalerate 2.0806 0.3758 0.9191 0.7478 16.0699 0.4971 45.3771 0.4919 0.2385 1.4227 1.0257 4.0473 23.6127 0.5786 0.7236 0.5751 0.2227 0.5018 1.7988 0.5096 2.1867 1.2800 0.8565 0.4949 2.7853 0.4323 0.8517 0.7089 0.6033 0.6788 9.3790 2.3145 1.0656 0.3915 7.1274 0.5908 6.1574 0.6231 2.0206 0.4657 1.7224 0.7784 0.5102 1.3714 0.9743 1.0963 1.4205 1.1584 0.5621 0.6001 13.7458 1.7979 0.5150 2.0731 1.8143 0.8389 1.1108 1.2317 6.3000 0.4521 0.6297 0.7618 1.4361 0.6333 38.6240 1.0624 16.2153 17.1494 2.0397 0.6075 2,3-dihydroxypyridine 1.0000 1.1242 0.3484 1.0796 0.2282 0.7396 0.2668 1.2358 0.5665 2.0312 0.6631 4.1252 18.5358 1.5038 2.4107 0.9727 0.3694 1.6752 0.6440 0.5835 1.1473 1.4592 4.4377 1.0281 1.4144 0.5620 0.2978 0.6071 0.3717 0.9089 0.0807 0.9271 0.4343 1.1691 3.6916 1.0364 1.5277 1.3560 0.1675 1.3102 1.3353 2.2786 2.1564 2.6349 0.6838 0.8914 0.9883 1.4713 2.1285 1.3821 1.0964 1.7250 0.5532 0.2228 0.6497 1.8456 0.2621 1.4732 0.3144 0.7437 0.3500 0.7975 0.7579 0.8634 0.4847 2.2135 0.9708 0.0807 4.2220 1.0980 2,3-dimethylsuccinate 0.5709 1.9093 0.6468 0.7010 2.1522 0.9410 0.3967 1.0784 0.2886 1.3564 0.5814 1.0986 0.6972 0.1634 0.4471 1.2146 0.4368 0.9519 0.4841 0.8987 2.7028 0.8241 0.9498 1.0022 0.8324 1.0000 0.7944 3.6045 0.1634 1.1445 0.2547 1.1762 0.2146 0.8534 3.1635 1.2902 0.9225 2.8489 1.0280 2.1504 1.0091 3.7104 1.8654 1.8365 0.9197 1.3925 0.3493 2.8798 0.5180 1.0390 0.8981 2.3687 0.4461 0.8650 0.7614 2.5570 0.3715 1.6678 0.7589 1.6988 1.3903 2.2593 7.9393 1.5358 0.8752 1.9730 0.4692 0.8448 2.6132 1.0590 2,4,6-trihydroxybenzoate 0.4907 2.0531 1.2726 2.6550 0.6745 1.2115 17.0260 0.6516 1.1562 4.3629 1.5559 0.2529 3.1850 0.4727 2.5617 3.9239 0.0356 2.5223 0.8244 0.4983 0.7965 2.2447 0.7953 0.7471 0.1317 0.0356 0.6343 0.9108 0.1200 0.2271 0.5806 0.6999 0.7807 0.7265 6.9514 3.9365 0.9764 0.4096 0.8072 0.4063 1.8782 0.8506 1.1453 1.6673 1.2272 2.4635 3.2286 2.4006 1.3753 1.4602 0.9441 1.2127 1.0000 0.0836 2.6471 1.4605 0.6573 1.5837 0.2706 0.7900 1.0727 0.9804 1.4492 0.9587 0.2524 0.6473 1.2730 1.1924 3.3664 1.8778 2,6-dihydroxybenzoic acid 0.3221 1.1891 0.4087 1.0811 0.8516 1.3006 0.4398 1.5946 1.0600 1.0582 0.2159 0.8325 0.5736 0.9527 1.4120 0.7906 0.1504 1.0094 2.3950 1.1450 0.3105 0.8339 0.7322 1.4977 0.6861 0.6569 0.3299 1.3032 0.7528 0.8922 0.3525 1.2362 0.7245 0.8120 0.9247 1.2817 0.8116 1.4229 3.2484 1.4859 2.3250 0.9636 1.3742 2.2192 1.0573 1.3876 0.9903 0.9906 0.0735 3.4512 0.7933 1.9191 0.7274 1.4282 3.1461 1.1795 0.7117 1.5576 0.1794 1.4366 0.5904 1.1343 0.9797 1.8254 0.8331 1.9636 0.6880 1.2417 1.7531 1.2163 2,8-quinolinediol sulfate 1.7923 0.7205 3.6072 0.0081 8.4288 0.0081 0.9925 0.1032 3.0812 0.0081 0.7302 0.1004 0.6179 0.0081 0.4785 0.0081 0.1204 0.0081 0.1413 0.0081 2.5836 0.0973 0.1236 0.0081 4.9480 0.1700 1.0973 7.0752 0.3017 0.4194 0.8149 1.3047 1.2836 0.0081 7.8225 5.2617 0.4138 0.0081 0.0081 0.0081 4.2932 0.0081 3.6190 0.9550 0.3233 0.0081 0.1758 0.0081 0.0081 0.0081 2.2528 0.0081 6.9335 1.0000 3.6502 0.0081 1.5207 0.0081 0.0081 0.0081 1.6219 0.4547 1.1782 0.0085 10.0439 3.5220 1.1673 0.0081 0.8106 0.0081 21-hydroxypregnenolone disulfate 0.2954 0.7296 1.1863 1.1255 0.8884 0.5510 0.5720 1.7147 0.5801 1.0807 1.0089 1.7021 0.3603 0.6459 1.0122 2.5719 0.2313 0.6365 0.7752 0.9396 0.4990 0.7087 0.6589 0.7901 0.6740 0.3867 1.0924 1.0211 0.6099 0.6578 1.1782 1.4072 0.4376 0.5108 1.8716 1.8842 1.5898 1.8693 1.3128 1.7561 1.4279 1.6868 1.9013 2.4342 0.5678 0.9340 1.2981 1.0598 1.5963 1.5450 0.6602 1.1814 0.7511 0.8938 0.8967 1.5613 0.3092 0.8740 0.9163 1.7229 1.0820 0.9335 0.8327 2.1644 0.9018 1.2356 0.9911 2.4725 1.4215 1.2015 2-acetamidophenol sulfate 0.2635 0.8640 0.2462 0.5530 1.4907 1.1909 0.8431 2.2491 1.1890 1.3404 0.5111 1.0143 0.3725 0.7959 2.2581 1.2704 0.0373 0.7847 1.3238 1.2192 0.2896 0.3167 0.4837 1.0036 0.9250 0.5029 0.7148 0.9964 0.9402 1.6397 0.1688 1.5839 0.4091 0.8687 1.8983 0.7634 1.8971 3.1020 2.7117 5.4869 2.2291 2.2335 0.3576 4.1895 0.5833 0.9251 0.8494 1.5789 0.0885 6.1226 0.5153 2.1430 0.6285 1.0719 3.1182 1.4419 0.1392 3.6692 0.1046 3.3589 0.2684 2.0488 0.2659 2.6240 0.2267 1.1074 0.4540 5.5432 1.5631 2.4843 2-aminoadipate 0.9373 0.9005 2.4236 0.9400 2.8834 1.8440 3.0031 0.9463 0.8708 0.7755 0.6707 2.8080 1.1251 1.0311 0.7895 0.4517 0.7701 0.9594 0.4700 0.7892 1.2771 0.5650 0.5639 0.9546 3.0181 0.6765 1.6193 1.4131 0.6295 0.4122 1.0053 1.0304 0.8146 0.4186 0.7890 1.0065 1.3579 0.8850 1.6123 1.0266 1.2648 0.9209 0.7123 1.1822 1.7799 1.2722 1.5674 1.2006 0.6576 0.4596 2.2108 2.1844 1.2926 1.0733 1.2223 1.0108 1.5781 1.6108 0.9930 1.1026 1.1939 0.6632 1.2533 0.7964 0.9947 0.6478 0.8161 1.0885 0.7038 0.7276 2-aminooctanoate 0.3253 0.8986 1.4672 0.7214 0.4229 0.8326 0.3253 1.6669 0.3253 0.7273 0.4246 0.9741 0.9495 1.1016 0.7253 1.1384 1.0259 1.8105 0.8490 0.5946 0.7402 1.0708 3.0458 1.3707 0.7946 0.3253 1.1080 0.7558 1.0376 0.5548 0.3253 1.3509 0.4424 0.3253 1.8630 0.7294 0.5394 2.2762 1.3841 1.4396 1.3173 1.2878 0.5241 0.4989 0.7098 0.6136 0.3253 0.3253 1.9884 1.5234 1.9863 1.1441 0.6922 1.1263 2.0225 1.0765 0.3253 0.9242 0.4146 0.8596 4.2373 1.2990 0.6984 1.1220 0.3253 1.5765 0.3253 0.3253 0.3253 0.8707 2-aminophenol sulfate 0.2582 0.8064 0.4451 1.6559 1.0229 0.8286 0.4196 2.0984 0.9703 1.1621 0.3588 1.0601 0.3231 1.2538 2.3807 0.8690 0.0515 1.1645 0.7887 0.9779 0.6349 0.3479 0.7570 1.5000 0.5521 0.2663 0.5720 0.7107 0.5699 1.1940 0.2034 1.0885 0.4047 0.8100 2.5932 0.5563 1.7145 1.7741 2.8343 3.3301 0.6033 1.6271 0.1869 2.3695 1.0221 1.4120 1.5588 1.2551 0.0771 8.1365 0.2063 1.8397 0.1101 1.1338 3.1242 1.7973 0.0943 2.1289 0.1257 2.0996 0.0876 1.2653 0.3048 1.4614 0.3130 2.1986 0.1638 5.5464 2.9667 1.8924 2-butenoylglycine 0.2450 2.6672 1.6187 1.5842 0.7630 1.8784 0.2340 1.8676 0.9491 1.1235 0.3742 1.5242 0.8243 1.0419 0.5701 0.7636 0.1412 0.7732 0.8996 0.7718 0.4327 0.8409 0.5186 0.6731 1.3318 0.7591 1.0231 1.0254 1.6780 0.8986 0.5469 1.0196 0.9681 1.3076 0.9804 1.4926 0.8003 1.8371 1.3409 1.0326 0.9622 0.9626 1.3269 1.8906 0.9762 1.6208 0.3418 0.2655 2.3170 0.9067 1.0371 1.1110 1.4468 1.5885 1.0266 0.6199 0.2678 0.5209 1.0468 1.1155 1.0431 2.0826 1.5344 2.2478 1.5405 0.6561 1.1472 0.6581 0.9115 0.4799 2'-deoxyadenosine 1.5504 1.9908 0.3620 0.4289 0.7168 0.4111 0.4959 1.1370 0.7176 0.9389 0.9032 0.4233 0.2447 0.9734 0.9773 0.8080 1.0000 2.0543 1.5462 0.8014 0.9410 1.0625 1.8749 0.8304 0.8197 0.1902 1.1900 1.7385 1.7393 2.0246 7.3078 0.9582 0.9039 1.0736 1.0870 0.9404 0.6919 0.6524 0.1902 0.1902 0.1902 0.1902 0.1902 0.1902 0.1902 0.5353 0.1902 1.2294 0.1902 1.0199 0.9460 1.6841 0.1902 0.3179 0.1902 1.7989 2.2260 2.6442 1.4289 1.0106 1.2531 1.0592 1.3345 0.8288 1.5752 1.7749 0.1902 0.1902 0.1902 0.1902 2'-deoxyguanosine 0.2745 0.2745 0.5679 0.7801 0.9532 0.6828 0.2745 1.5123 0.6534 1.0406 0.5826 0.5756 0.5990 0.9641 0.7688 0.9180 0.2745 0.2745 0.2745 0.5897 0.4915 0.6038 0.6974 1.3421 0.3493 0.2745 1.0452 0.6205 0.6398 0.4006 0.9272 1.0422 1.0000 0.2745 1.2656 0.5344 0.2745 0.3428 1.0818 1.2127 0.6632 0.9026 0.6015 0.2745 0.4828 1.0146 1.0629 1.9027 1.1588 1.5220 0.9640 1.1356 1.1718 1.0736 1.2398 1.8177 1.0764 1.7860 0.8350 1.3436 1.0740 1.5674 1.0772 1.5914 1.6554 1.5349 0.8283 1.9555 2.1633 1.6082 2-ethylphenylsulfate 0.3033 0.3033 0.3033 0.5881 0.3033 0.3033 0.7677 0.8699 0.6181 0.8398 0.6147 0.3033 1.2482 0.3033 0.3033 0.3033 0.3033 0.3033 0.3033 0.3033 3.5708 0.3033 3.6617 1.0538 0.8050 0.3033 0.9462 0.3033 0.8331 0.3033 0.7417 0.3033 0.3033 0.3033 2.6863 0.3033 1.0824 0.8452 0.5916 0.3033 2.4816 0.3033 6.3351 1.6257 3.3028 0.3033 0.3033 0.3539 2.5075 0.8960 1.2537 1.1758 4.5105 3.3159 2.4425 0.3033 2.2497 5.0397 0.3033 0.3819 1.4079 0.4249 0.7979 0.7570 0.3033 0.3645 5.2303 0.3033 0.3033 0.3033 2-furoylcarnitine 0.5939 0.3797 0.6156 0.4148 1.1255 0.1865 0.3012 0.4315 0.2448 0.5164 0.1865 1.8364 9.6494 0.3136 2.1511 0.9902 0.1865 0.1865 1.0000 0.8161 0.8740 0.7211 4.5245 1.2058 1.2245 0.1865 0.9235 0.6905 1.0996 0.9630 0.7082 0.8412 1.5154 0.1865 5.5267 0.6531 2.1398 1.0877 2.1526 0.5819 1.1321 1.2437 3.4392 1.6613 0.8162 0.7441 2.5909 1.1964 1.4519 0.8655 3.3995 3.1614 0.5973 1.0892 0.9301 1.6478 0.4566 0.5746 0.3961 0.4944 2.4916 1.6018 1.2812 0.4891 10.0021 3.9055 1.3203 2.4953 3.9494 0.7550 2-hydroxy-3-methylvalerate 0.2505 1.0810 0.7754 0.2505 1.1006 0.9123 0.9372 1.4840 0.4451 0.8486 0.5336 0.2520 0.2505 0.2505 0.2505 0.2505 0.2505 0.2505 1.1589 4.4132 0.2505 0.2505 0.2505 0.7184 0.6499 3.4660 3.5567 8.4266 0.8700 0.6908 1.1974 1.5775 0.2505 0.2505 1.1687 1.1726 1.3221 1.0295 1.5978 1.3309 0.2505 0.2505 0.7435 0.2505 0.8959 0.3433 0.2505 0.2505 0.2505 0.6624 1.5542 2.3578 1.0000 1.6790 0.9781 0.2505 0.2505 0.9664 1.3668 2.1247 0.2505 0.7207 0.4242 0.8612 0.2505 0.2505 0.6725 2.2769 0.2505 0.2505 2-hydroxyacetaminophen sulfate* 1.0408 1.2485 0.1359 0.1359 1.0000 318.0544 0.4004 2.1116 2.2096 0.1864 0.4906 1.5233 10.7448 0.2137 1.9649 0.7881 0.1359 0.1359 1.5152 0.3285 0.9171 0.7938 59.4063 0.7342 0.6067 0.3583 19.7882 1.2643 1.2738 0.2319 0.5402 1.9584 0.6720 0.7668 0.9399 0.7729 0.7228 0.8280 0.8526 0.6964 2.3240 1.9950 1.1089 0.9530 10.7844 50.5467 0.5011 0.4434 1.4901 1.5169 0.7599 0.3274 0.6815 1.0553 4.1474 37.7992 15.4508 1.9341 1.7144 0.6655 0.7579 0.3547 1.0971 1.1127 1.1770 2.8812 1.6200 1.3442 0.7261 0.2283 2-hydroxyadipate 0.7880 1.1472 1.1592 1.8970 2.6577 0.7925 2.2897 0.7973 0.6718 0.8836 1.0326 3.8115 0.7344 0.5471 1.0485 0.9218 0.8060 1.2428 0.4028 0.3242 0.5411 0.5383 0.7229 0.6546 1.2679 0.4115 0.8241 0.6600 0.7275 0.3977 0.6699 0.6422 0.7805 0.4854 1.2081 0.5445 2.3977 1.0981 0.7297 0.8995 1.2520 1.4212 1.9734 1.2967 0.7179 0.5643 1.1611 1.1123 1.8931 1.2825 1.3551 1.1272 2.3156 0.9818 0.9927 1.3383 1.0569 1.0073 0.4820 0.7070 1.1958 0.7304 1.0187 0.6199 5.1165 1.4665 3.4390 5.5005 2.1997 1.0833 2-hydroxybutyrate/2-hydroxyisobutyrate 0.4686 1.5339 1.5348 1.3721 0.7533 0.8469 0.9250 2.2800 0.7018 1.1934 0.9253 1.1844 0.3631 0.6380 0.3721 0.5649 0.5993 0.7814 0.4252 0.4594 0.5031 0.7133 0.6020 1.2725 0.9608 0.8144 0.8823 1.0601 0.9362 1.1076 0.7513 1.5021 0.4393 0.5026 0.8659 0.9114 1.3941 0.8887 1.8875 2.2317 1.3137 0.7967 1.7053 1.9725 1.4353 1.8779 1.1262 1.0392 1.6687 1.1281 0.5960 1.8568 0.6635 1.5841 0.8851 1.5894 0.8200 2.0566 1.7024 2.3090 1.2655 1.2242 0.9408 1.2746 0.7806 1.1191 1.4841 1.3657 0.3909 1.8540 2-hydroxyglutarate 0.7470 1.2225 0.8826 0.8200 1.0279 0.7575 0.8077 1.2831 0.5434 0.9791 0.7600 1.2001 0.7616 1.1666 0.4817 0.7701 0.8726 1.8629 0.6155 0.7604 0.5797 0.9102 3.0842 1.7260 0.8783 1.1978 0.5196 0.5364 0.8571 0.9664 0.6218 0.8381 0.4366 1.1374 2.3607 1.1282 1.1419 1.8016 1.5610 2.0550 1.2210 2.0839 0.5309 1.1425 0.8032 0.7512 1.0209 1.3116 0.5960 0.4632 1.4423 2.0555 1.8518 1.8540 0.5597 1.3652 0.8481 1.1275 1.1527 1.3454 0.9330 0.6779 1.0570 0.6727 2.3509 1.7458 0.9423 1.0992 1.2328 1.3731 2-hydroxyhippurate (salicylurate) 0.4675 1.4187 0.6330 2.6092 1.4302 0.5497 0.5560 0.6739 1.1477 3.5910 1.0073 0.8004 2.4284 0.7299 1.2678 0.8980 0.4989 1.1422 0.9299 0.7018 1.4651 1.1250 0.9927 0.9625 0.4548 0.9168 6.2560 1.3650 2.3618 1.5219 0.6482 0.8059 0.7432 0.6613 1.4703 0.7833 0.6965 0.8838 1.8821 0.7788 0.4897 0.9405 1.2620 4.9723 0.5839 0.6971 1.4074 2.2756 0.5632 2.1736 0.6275 0.9720 1.0217 1.1610 1.8430 2.2731 3.3565 15.5924 0.6110 0.7884 0.4473 0.7573 6.7966 1.4420 33.4181 1.9039 3.1580 0.9216 2.2290 1.6785 2-hydroxyibuprofen 0.7014 816.4554 1.4789 0.8303 1.6750 21.7583 1.6061 7.8235 0.1299 0.1488 0.1737 0.4851 0.4113 41.5143 0.1299 32.4879 0.4192 0.1299 0.4714 0.8475 0.1303 0.9178 0.1299 0.1299 0.3858 1.7057 0.1445 0.5518 0.3555 0.9576 0.1299 0.1299 243.1245 0.7453 1.9309 3.2050 0.2812 0.1299 0.3776 0.8387 0.1299 0.1299 0.1299 0.1299 240.5895 477.6896 1.1922 1.2711 2.4121 2.5168 0.1299 0.8849 0.5953 0.5094 0.1299 0.1299 0.7196 170.5047 0.4881 1.0424 0.1299 0.1299 0.1299 0.1299 1.0798 1.8521 3.7319 5.1345 14.0354 3.0447 2-hydroxyoctanoate 0.1419 0.1419 1.0226 0.4570 1.9667 0.7882 0.1419 0.9684 0.1419 0.1419 0.1419 0.2282 0.4697 0.1419 0.1419 0.1419 3.7422 1.7634 0.8333 2.3395 0.1419 0.1419 0.1419 0.5396 0.4552 1.0355 0.5120 2.0305 0.9113 1.8608 0.7820 1.8290 0.1419 0.5507 1.2683 0.5041 0.5817 1.2086 1.7023 1.1485 0.3852 0.3584 0.6281 0.7315 1.1603 3.0104 1.4756 0.7622 1.8532 0.4556 1.2916 2.1506 0.6628 4.2378 0.2335 0.4902 0.3115 0.8913 1.9244 1.6792 1.5283 0.8258 0.9774 1.2886 1.1416 2.0348 0.8490 1.7111 4.0340 1.8297 2-hydroxyphenylacetate 0.8786 1.3717 1.0792 1.5559 1.1846 0.7717 0.5534 1.6146 0.8655 1.8329 0.6157 0.4711 0.9880 1.3625 0.6999 1.0667 0.6767 1.6075 0.6600 0.5795 0.6446 1.1943 1.8794 1.0666 0.5390 0.6093 0.5370 0.8153 0.4918 0.8538 0.6296 1.0964 0.6657 0.6851 0.9904 1.0168 1.4311 1.6921 1.6331 2.3059 1.2399 1.8056 0.9166 2.4938 0.6606 0.7937 3.1347 3.5124 1.8085 1.5604 1.2819 1.4001 0.8811 0.8760 0.7479 1.1345 0.5352 0.9186 0.5574 1.1421 1.0096 1.1689 0.9150 0.9889 1.1094 1.4422 0.5103 0.8923 2.3529 2.3355 2-isopropylmalate 0.5208 0.6062 0.3109 1.4978 8.8670 0.4359 30.9299 0.6027 0.4116 6.4222 0.5373 3.7212 15.3868 1.2638 0.9032 2.0657 0.0843 1.1657 0.4860 0.5838 1.7585 1.5276 0.8556 0.7262 0.3888 0.9656 0.3401 2.0967 0.6269 0.4111 0.8204 6.7007 2.7103 0.8010 13.7032 0.7443 1.0492 8.7935 0.9466 0.2274 5.9668 10.2060 1.3086 2.9727 0.4795 0.5996 0.7441 3.4108 1.7009 1.9485 9.1583 2.6453 0.4067 0.2050 1.7616 1.9839 0.5284 0.4037 0.6630 0.6891 0.8787 1.7656 1.0344 0.5924 54.2010 1.4153 1.5601 1.2136 1.6602 0.3291 2-keto-3-deoxy-gluconate 0.3719 0.8958 1.7513 1.3332 1.8859 1.2487 0.7244 1.0162 0.4527 1.1989 0.8921 2.2605 0.7584 0.9401 0.6093 0.8866 0.2473 0.6325 0.6233 0.5722 0.8195 0.6283 0.8692 0.9011 0.8776 0.3281 0.7767 0.6986 1.2510 1.0928 0.3561 0.5697 0.5119 0.5374 1.5968 0.8182 1.0889 1.4568 1.1051 1.1756 1.2790 1.1837 0.8076 1.1241 0.8511 0.8073 1.2448 1.4349 0.9982 1.0018 0.8937 1.1088 1.1469 0.9698 7.2809 1.4944 0.8037 1.3948 0.7483 1.1248 1.1514 1.1662 1.7607 1.5173 1.3096 1.3931 0.7770 1.1920 1.6204 1.3372 2-ketogluconate 0.3242 0.2880 2.4006 1.0342 1.8195 1.2658 2.0837 0.7694 0.1564 2.9015 0.8834 0.9514 0.6254 0.3011 0.3195 0.4547 0.0607 0.3029 0.2124 0.1339 1.1049 0.4145 0.4235 1.4749 0.7403 0.0789 0.6236 0.3549 1.6126 0.7658 0.3871 1.2193 3.3123 0.1101 1.3879 0.5713 0.8136 2.3607 1.2734 1.5244 3.9267 0.7823 1.4278 1.4985 0.8655 0.3828 1.1262 1.4705 1.7842 1.6267 1.6089 1.2734 1.3187 0.8893 1.0222 2.0371 0.9778 0.9744 1.1134 0.4374 1.1595 1.0432 1.8660 1.0890 2.8960 0.7815 1.1833 0.7787 2.4752 0.7919 2-methoxyacetaminophen glucuronide* 0.5418 0.2087 0.2087 0.2087 0.2087 321.1544 0.2087 0.2087 0.3598 0.2087 0.2087 0.5734 19.4828 0.2087 0.5928 0.2087 0.2087 0.2087 0.2087 0.2087 0.2087 0.2087 22.0252 0.2087 0.2087 0.2087 7.2939 0.2087 0.2087 0.2087 0.2087 0.2981 0.2087 0.2087 0.2087 0.2087 0.2087 1.0000 0.2087 0.2087 1.1009 0.2087 0.2087 0.2087 4.5996 70.7884 0.2087 0.2087 0.9407 0.5002 0.5963 0.6492 0.7918 0.6820 2.2654 48.8038 11.2241 1.9162 0.2087 0.2087 0.2087 0.2087 0.2087 0.2087 1.2011 3.4271 0.8566 0.2087 0.2087 0.2087 2-methoxyacetaminophen sulfate* 0.9115 0.1348 0.1348 0.1348 0.8154 1097.4688 0.1348 0.1348 0.6277 0.1348 0.1348 0.9377 11.3155 0.1348 1.1225 0.5044 0.1348 0.1348 0.1348 0.1348 0.2291 0.1348 53.4265 0.1348 0.3859 0.1348 20.7615 0.1348 1.1431 0.1348 0.1348 1.2819 0.2994 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.4886 9.6580 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 1.0623 11.6788 3.6861 0.5512 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 0.1348 2-methoxyresorcinol sulfate 0.9360 0.5787 1.3694 1.7717 0.6246 1.6020 1.3444 0.3820 4.7965 8.9841 1.3450 0.3932 9.3102 0.3179 0.4109 1.9200 0.5571 1.7279 15.2087 1.6069 0.6833 5.1036 0.1058 0.2075 0.2751 1.2480 0.9935 7.8324 0.7780 0.2146 0.9666 0.1430 1.0065 0.5114 0.5748 0.1976 1.4856 1.3888 0.7783 2.9978 23.3914 0.7526 1.6046 0.6835 3.4266 2.1970 0.7366 1.9026 1.2167 0.8039 12.1583 9.9732 22.8418 0.1507 1.0986 0.7334 0.4344 2.1498 0.0630 1.2768 0.9786 0.9926 0.5991 0.7229 1.1997 1.0294 7.6573 0.8961 0.4879 6.3631 2-methylbutyrylcarnitine (C5) 1.4547 0.8987 2.6169 0.8369 1.0383 0.4658 0.2423 0.6784 0.7528 0.2431 0.2044 0.9863 0.5365 0.4035 2.7188 1.0729 0.8581 0.7925 1.1430 0.6772 0.6151 0.8033 1.9773 1.4883 1.4251 0.6606 1.0324 0.6270 1.0137 0.3583 0.6195 0.6727 0.8064 0.6717 1.7976 0.5816 0.4874 1.0583 0.7242 0.4610 0.5013 0.6483 3.4797 0.9329 2.2614 3.1516 2.2467 1.4835 1.2586 0.3471 2.3009 1.2890 1.0559 1.8346 0.6154 0.1325 1.6478 1.8027 1.5098 0.4008 3.1654 1.1737 2.1652 0.5020 2.2280 2.5239 1.2364 1.0323 3.4484 1.3485 2-methylbutyrylglycine (C5) 0.7053 1.1185 0.9974 0.6240 2.1407 1.2861 0.9909 1.1528 0.5331 0.6290 1.8135 1.5358 0.7857 0.4535 1.5800 1.3385 0.8271 0.8133 0.3882 0.7521 0.6308 0.4835 0.4628 0.5890 1.2251 0.7003 0.8798 0.8158 0.9121 1.1217 0.9423 0.7640 1.0456 1.1521 1.5006 1.5515 1.1670 0.8873 0.5966 0.9295 2.8736 2.8872 2.2864 1.6083 2.8366 2.2241 1.4136 1.8943 0.5954 0.9553 0.7578 0.7247 0.7037 0.6275 0.9333 1.0551 1.3833 2.1006 1.2686 1.2015 1.7072 1.1462 0.9401 1.0727 1.6386 1.0304 1.0026 1.2481 0.9752 0.7186 2-methylcitrate 1.8106 2.0471 0.6632 0.7875 0.5197 0.7115 0.8920 1.0582 0.3105 0.6342 0.9341 1.2528 0.5776 1.3572 1.0388 1.0981 1.8968 3.2812 1.0078 0.7108 0.5047 0.8126 1.4599 1.2157 0.9881 1.5126 1.2946 1.5355 0.5218 0.5988 0.7014 1.0630 0.8545 1.5253 0.8895 0.6828 1.6119 1.0001 0.9071 0.9999 0.9742 1.8324 1.0104 1.5391 0.6965 0.4469 0.8242 1.0649 0.9670 1.0616 0.9698 1.0384 1.2315 0.6624 0.9640 1.4156 0.8030 0.7021 0.4983 0.9267 1.2334 1.4435 0.9395 0.8368 1.8831 1.4907 1.1741 1.4721 1.9038 1.2665 2-methylmalonylcarnitine (C4-DC) 0.5997 1.3028 0.9912 1.0338 0.8439 0.9124 0.6625 1.7517 0.4809 0.9085 0.9142 0.8722 0.7121 1.4006 0.8267 1.0200 0.4567 1.2672 1.1281 0.8182 0.6034 0.7913 1.9898 1.6875 1.0270 0.7273 1.1776 1.3774 0.9630 0.9182 0.6222 0.8665 0.5927 0.7837 0.9943 0.7111 1.0649 1.1985 1.1113 1.5458 0.9184 1.5919 0.7540 1.7339 0.8190 0.8107 1.8193 1.6712 1.4719 1.0057 1.0632 1.3042 1.3376 1.1694 0.8592 1.5772 0.9734 1.1078 0.8956 0.9130 1.1267 1.1454 0.8335 0.7496 1.5592 1.7006 0.8911 1.2807 2.8839 1.7422 2-methylserine 1.4365 1.4472 0.7673 0.6122 1.0466 0.5761 0.3984 1.1271 0.8482 1.1765 0.9374 0.6852 0.7699 1.4339 0.6555 0.6497 0.7957 1.3998 0.8453 0.5441 1.1104 1.1268 1.4190 0.7536 1.0810 1.4494 0.7539 1.2473 0.8803 0.7343 0.5186 0.5772 0.5855 1.2930 0.8886 0.6671 1.3449 0.8825 1.1610 0.6377 2.0548 1.3631 1.1025 1.3311 1.2121 1.1028 1.2155 1.7322 0.3490 1.0005 0.8303 1.0076 0.8084 0.7364 1.5312 0.6613 0.8567 1.6831 0.5483 0.3541 0.9422 1.0933 1.3321 0.9995 1.8957 2.1335 0.6875 1.2044 1.2352 1.2837 2-naphthol sulfate 0.1900 0.1900 0.5812 0.1900 0.1900 0.1900 2.5575 8.8872 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.1900 0.2900 0.5068 0.1900 0.1900 0.1900 0.1900 0.7491 0.7223 0.1900 0.1900 0.1900 0.1900 0.4388 0.1900 0.6501 0.1900 0.1900 0.1900 2.8636 0.8204 1.0641 2.9961 1.4954 2.4169 0.4060 0.7335 1.4362 0.1900 0.1900 0.1900 6.2117 11.3949 0.3546 0.1900 1.0000 1.2753 0.1900 0.1900 0.6560 0.1900 3.9246 2.0324 2-octenoylglutamine 0.1360 1.8793 3.2184 2.5431 0.1360 0.1360 0.1360 4.7223 1.3319 1.8284 0.6405 2.5913 0.1360 1.0109 0.7080 0.4137 0.1360 0.1360 2.3521 0.7581 0.1360 0.6357 2.5522 3.4021 1.4154 0.9812 1.1969 0.7641 0.6534 0.2459 0.1360 0.3261 0.2832 0.5533 0.9891 0.4068 1.3996 4.2197 0.3965 0.7218 0.3998 0.9096 1.2266 3.5343 0.1704 0.6631 0.1360 0.1919 5.3946 1.2436 0.4415 1.6011 1.5974 0.8068 0.2973 3.2989 0.4013 0.9490 0.7980 1.1767 0.3837 4.0563 2.3339 3.7749 0.3331 1.2190 1.6507 1.8668 1.7313 0.1360 2'-O-methylcytidine 1.8356 2.9607 1.1334 1.0775 1.3995 0.8920 0.6739 1.1293 0.5861 0.8808 0.4720 0.3886 0.6393 2.6659 0.9958 0.7980 1.3167 2.9433 0.8289 0.4969 0.5273 0.8143 1.4665 0.7210 0.8099 1.3163 0.7441 1.8275 0.8040 0.8634 1.0267 1.0731 0.6409 2.0797 0.5616 0.5226 0.7218 0.9546 1.9745 3.3687 0.5737 1.6925 0.6356 1.9988 0.7562 0.6473 3.3320 1.6904 1.7604 0.7940 1.6398 1.6764 0.7523 0.7672 0.8538 1.4386 1.1358 1.3118 1.0607 0.8996 1.3713 1.0042 0.8441 0.7656 1.2350 1.2340 0.7816 1.1235 4.9766 2.9050 2'-O-methyluridine 0.6755 0.7742 1.8707 1.5759 2.8497 2.1635 0.7592 1.2575 0.3899 0.3864 0.4032 0.4721 0.7975 1.1733 0.9214 1.1661 0.3924 0.8247 0.5838 0.6060 0.4041 0.4292 0.4603 0.5317 1.8590 0.9926 1.0074 0.8720 1.7159 1.4891 0.7384 0.8817 1.1694 1.1847 0.9051 0.6287 0.5209 0.7874 1.4092 1.3263 0.4252 0.6724 0.9676 0.7332 1.7164 1.7445 1.8789 1.6060 0.9495 0.5899 3.3517 4.6081 1.0129 1.2874 1.4806 1.0311 3.6096 4.9864 2.4223 2.5661 2.0931 2.2242 1.9107 1.7948 0.6681 0.8432 0.7664 0.6936 2.0181 1.3771 2-oxindole-3-acetate 0.1808 0.3136 1.0000 0.5531 2.1403 0.8078 1.0817 0.6658 0.3960 0.3085 2.3203 9.9737 3.3120 0.8901 1.1058 18.8106 0.3044 1.1372 1.5821 1.0192 0.7691 0.9758 0.7697 2.0361 0.1771 0.1690 0.8005 5.1062 1.7439 0.9039 1.4012 0.5262 0.2649 0.9099 3.5607 2.8170 1.4683 1.2763 0.1946 1.2515 4.0735 5.2697 0.1690 0.6278 1.6698 0.8161 0.6570 0.5613 1.4906 2.1921 1.5416 2.6301 0.5691 0.9368 3.1138 9.7069 0.2810 0.2073 1.0422 0.9177 1.5716 0.3842 0.9322 0.5330 6.8875 4.3777 1.2136 2.2490 0.4014 0.6108 2-oxo-1-pyrrolidinepropionate 0.1793 2.7698 0.6903 0.8777 3.5295 4.5954 0.3505 12.6762 0.1387 2.5770 0.8173 3.0099 0.7288 5.4200 0.2373 0.7212 0.1680 0.9248 1.8203 1.3315 0.7725 2.9564 2.3553 7.6397 0.3653 2.1167 0.1462 0.5130 0.7896 9.4219 0.1343 0.7128 0.3900 0.9316 0.5344 0.9478 2.3717 4.0505 3.9620 7.9700 4.6641 8.8925 3.2243 20.2960 0.8853 0.8024 2.3939 3.6872 1.2915 0.8793 0.4492 0.6861 0.4263 1.4054 0.5297 1.2107 0.6984 2.6110 0.5175 0.9466 1.2927 1.9618 0.3646 0.8378 1.0522 1.5200 0.5389 1.4658 1.8707 1.8723 2-oxoadipate 0.5835 0.6283 2.5888 1.4303 3.2556 3.0278 1.1707 1.0210 0.9155 1.7038 0.9942 1.6523 0.7117 0.6840 0.3086 0.5823 0.3144 0.7846 0.7527 0.3489 1.2536 0.8093 2.8342 2.3227 3.0411 0.7570 1.1987 0.6994 0.8305 0.4155 0.3764 0.6752 0.9425 0.7384 1.9230 1.6349 0.8949 1.9185 3.2902 3.3537 3.0224 2.8536 0.3245 1.9040 0.7963 0.8994 1.3516 1.5638 0.3908 0.4099 1.6620 2.4856 2.5644 3.3467 0.5031 1.6236 0.5507 0.8065 0.8739 0.7896 0.7714 0.3705 1.2185 1.0058 1.6399 1.9648 0.8836 1.6881 2.2159 2.1461 2-oxoarginine* 0.9577 1.3112 0.3953 0.6982 0.9204 0.6110 1.4310 1.0523 1.0258 2.8652 0.9791 1.8885 1.0196 1.0101 0.6559 1.9431 0.7660 1.3246 0.3676 0.6712 0.7812 0.6423 0.4409 1.7798 0.8613 0.8294 1.3971 1.1769 0.6364 0.7176 0.6788 0.9899 0.6738 0.4600 0.7074 1.3610 1.0927 1.1086 0.7696 3.5984 2.0985 1.2936 1.1355 1.3304 0.6143 1.1015 2.9370 2.3197 0.4444 1.2960 0.9627 2.0051 0.5819 1.0809 0.8686 2.3089 0.6959 2.4934 0.5946 2.2813 0.7509 0.8299 0.7212 1.9352 1.2879 1.0540 0.4736 1.7673 0.6599 1.9910 2-piperidinone 2.2023 0.8634 0.3691 0.1844 2.6087 1.4686 0.5626 0.8563 2.0349 2.0879 0.6394 0.4307 0.4908 0.9475 1.8349 1.2456 0.2616 0.3899 1.6785 0.8915 0.4055 0.5427 0.4806 1.0395 0.6958 0.8438 4.8648 4.8853 0.6857 1.0204 2.9935 2.3210 0.6407 0.4815 2.1704 2.3744 0.9796 1.0577 1.3668 1.6001 1.3431 2.1270 0.5940 0.8609 1.4777 6.1291 0.8155 0.1941 0.3008 0.6181 2.4213 2.6390 4.5588 1.8399 5.9924 2.3809 1.5676 0.6525 3.9389 0.6969 0.4301 0.2743 1.1709 0.4701 0.2391 0.4082 1.6860 0.3477 4.9119 4.9061 2-pyrrolidinone 0.9917 1.5209 0.9167 0.9252 1.0370 0.7207 0.7955 1.3553 0.5353 1.1385 0.9081 0.7573 0.6727 1.3941 0.7158 0.8437 0.5791 2.0826 1.0801 0.7725 0.6648 0.8521 1.3827 1.1093 0.8552 0.7601 0.8552 1.0028 1.2838 1.1916 0.6377 0.7825 0.5943 0.8225 1.3425 0.8613 1.3195 1.3962 1.4005 1.7146 0.9669 1.4424 0.7798 1.3763 0.9198 1.1274 1.5529 1.3052 1.0793 0.9972 0.9020 1.3635 0.9644 0.9634 0.9620 1.4221 0.7759 1.0916 0.7525 0.7906 1.1111 1.1100 0.9478 1.0299 1.7922 1.9267 1.1555 2.0417 2.0312 1.4547 2S,3R-dihydroxybutyrate 0.8495 2.5146 0.7554 0.9436 0.7027 0.8005 1.3577 1.2452 0.6132 1.2247 1.0207 2.4029 0.5983 0.8332 0.7709 0.7812 0.7033 1.4238 0.8307 0.4830 0.7667 0.9821 1.9553 1.3319 1.0894 0.8271 1.1923 0.9144 1.0413 0.9317 0.4799 0.6337 0.4650 0.5487 1.0179 0.6990 1.6501 1.2574 0.9280 1.8326 0.6940 1.3121 1.0877 1.8061 0.7174 0.7829 1.2259 1.5294 2.3453 0.7879 0.9676 0.8506 1.5255 0.7682 0.9399 1.5243 1.1226 1.1494 0.8304 0.6511 1.6178 1.4527 1.1543 1.0822 1.4722 1.5092 0.8357 1.1126 2.8467 1.0986 3-(3-amino-3-carboxypropyl)uridine* 0.5276 1.0336 1.1106 0.8880 0.8819 0.5457 0.5772 1.4306 0.6309 1.0263 1.2533 1.3518 0.6199 0.9821 0.5866 0.8055 0.3896 0.8890 0.7020 0.6704 0.6760 0.7921 1.1889 1.1268 0.8860 0.5233 0.8495 0.8558 1.1870 1.0611 0.5558 0.7673 0.4383 0.4848 1.2914 0.7490 1.1295 1.3658 0.8616 1.0532 1.0015 1.2588 1.3340 1.3075 1.0132 1.0501 0.9331 1.2146 1.0809 1.1596 0.7129 0.9852 0.9281 0.8577 1.0348 1.5732 0.8896 1.3856 0.6770 0.9985 1.0164 1.1502 1.0782 1.5114 1.2000 1.5503 0.9535 1.5268 1.6076 1.0830 3-(3-hydroxyphenyl)propionate 0.5939 0.6208 1.0381 1.8974 1.3374 0.7122 0.2563 0.2677 0.4012 0.6832 0.0967 0.1185 1.1028 1.3809 25.0035 9.4192 1.5524 2.7307 6.1710 2.8906 1.3888 3.5065 0.3999 3.0684 0.0568 0.0568 1.0657 4.0563 0.1019 0.5731 0.5664 0.3686 0.0568 0.0568 4.6052 1.1199 7.5088 4.2962 2.9449 1.4639 0.5467 0.5039 0.1748 0.3330 0.7486 0.4493 0.8146 0.2573 1.0000 0.5373 1.3725 5.2165 0.8464 0.7317 37.6204 26.9868 0.1047 0.4423 0.9446 4.7159 12.6532 1.8212 0.7263 0.7786 0.5631 1.6803 0.9225 1.5345 3.3542 2.2766 3-(3-hydroxyphenyl)propionate sulfate 0.8944 0.8604 1.2637 2.8756 1.7261 0.7024 5.1675 3.5436 0.7537 0.9287 0.5497 0.7231 0.9746 0.4035 1.6018 0.9536 0.4408 1.4433 1.4856 0.5912 3.1298 2.8309 2.2930 1.0860 0.3431 0.0981 1.9498 1.5506 0.5572 0.7224 1.4054 0.7461 0.1210 0.0989 10.6262 1.4060 3.4119 3.2250 1.3340 0.9786 1.2764 1.0214 0.5907 0.2106 4.3003 0.7059 0.4391 0.1795 0.8791 0.9078 1.0230 2.1190 0.2826 0.2223 4.7581 4.6733 0.3048 0.3457 0.2262 1.3166 4.0314 1.1006 1.9246 1.2116 0.5873 0.7653 1.1419 1.8952 3.6970 0.7863 3-(4-hydroxyphenyl)lactate (HPLA) 0.8795 0.7869 0.8827 0.8738 1.4972 0.6987 1.2699 2.2437 0.4882 0.8761 1.1142 1.2957 1.1336 0.9823 1.0708 1.0633 0.5695 1.0447 0.7449 1.0004 0.4743 0.5898 1.0479 0.9888 1.0048 0.7962 13.5489 15.5698 0.9996 0.8334 1.3558 1.4564 0.6256 0.7063 1.4479 0.9023 1.0897 1.3502 0.6539 0.8998 1.4416 1.0183 1.0497 1.0678 0.9282 0.8329 0.8623 0.8676 0.7163 0.8568 1.2076 1.2901 1.1497 1.4185 4.6351 1.7897 0.9962 1.8794 0.9431 1.8730 0.8929 0.8351 0.8681 1.2563 1.4386 0.8160 0.6798 1.0105 1.1164 0.8647 3-(cystein-S-yl)acetaminophen* 0.0863 0.0863 0.0863 0.0863 0.1420 163.0652 0.0863 0.0863 0.1122 0.0863 0.0863 0.0863 1.6893 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.4690 0.0863 5.1179 0.0863 0.0863 0.0863 3.0995 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.1928 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 0.0863 4.8033 0.0863 0.0863 1.3902 0.6182 0.0863 0.0863 0.0863 0.0863 0.5433 7.4408 2.4680 1.0000 0.0863 0.0863 0.2673 0.0863 0.0863 0.0863 0.0863 0.4411 0.0863 0.0863 1.3935 0.0863 3-(methylthio)acetaminophen sulfate* 2.2006 1.0000 0.0852 0.0752 0.5351 334.2201 0.0752 0.0752 0.6710 0.4034 0.1046 0.0752 1.4981 0.0752 0.0752 0.0752 0.4905 0.0752 0.3025 0.0752 7.0818 1.8324 10.7083 0.2336 0.0752 0.0752 19.8421 1.7428 0.0752 0.0752 0.0752 0.2076 0.0752 1.7106 9.4389 1.7611 0.1919 0.1470 0.0752 0.0752 0.3980 0.5218 0.3316 0.0752 0.4796 43.0962 0.3236 0.0752 13.8005 2.0861 0.0752 0.0752 0.8132 0.3667 1.6662 23.4497 45.3603 13.5226 0.1046 0.0752 1.6683 0.3668 0.1337 0.0752 0.0752 24.7746 0.0752 0.0752 23.3189 3.5899 3-(N-acetyl-L-cystein-S-yl) acetaminophen 1.4155 1.5275 0.4781 0.2354 2.3427 578.6375 0.0707 0.0707 0.9227 0.7729 0.4934 0.0707 3.7898 0.0707 0.0707 0.0770 0.4362 0.3273 0.0707 0.0707 3.4051 1.7030 19.9300 0.2699 0.0707 0.0707 17.9291 1.4555 0.0707 0.0707 0.2334 0.2637 0.0707 0.5319 2.9543 1.0773 0.0707 0.0707 0.0707 0.0707 0.8593 0.7693 0.0707 0.2597 0.0707 12.8065 0.4431 0.1848 5.8094 4.4389 0.0707 0.0707 0.2784 0.1680 4.4877 16.8343 12.1739 8.2927 0.1553 0.0707 2.4525 0.8329 0.0707 0.0707 0.0707 2.6572 0.0707 0.1361 3.9063 1.1355 3,4-dihydroxybutyrate 0.7456 1.6137 1.3037 1.2508 0.9544 1.0344 0.5995 1.4825 0.5288 0.9996 0.7304 1.7965 0.6988 1.1716 0.7158 0.6067 0.6403 1.5699 0.7932 0.6141 0.7098 0.7760 1.0139 0.9669 1.1840 1.1353 0.5488 0.9331 0.6620 0.5262 0.5374 0.7888 0.5899 0.8202 1.1212 0.7085 1.1685 1.2120 0.8196 1.3185 1.1820 1.2933 1.0853 1.3804 0.6810 0.9933 1.1832 0.9750 1.7836 1.2443 1.0424 1.0076 0.6102 0.7143 0.9838 1.2005 0.5968 1.0159 0.5639 0.7364 1.0367 1.1779 1.1438 1.2255 1.3353 1.0906 1.0004 2.0940 1.4919 0.9071 3,4-dihydroxyphenylacetate 0.0306 0.0306 1.2020 0.8837 0.0306 1.2675 0.6160 0.8289 1.4148 1.6642 0.8286 1.1468 0.8412 0.1810 0.6812 0.9814 0.0306 0.0306 1.1331 0.0306 1.0062 1.6081 0.2146 0.5780 0.7340 0.0306 1.6309 0.0854 0.6375 0.0306 0.0306 0.7918 1.1145 0.9348 10.2887 1.3223 1.9223 2.5214 0.0395 0.3011 1.0891 0.9484 1.5327 0.9382 2.6241 1.9696 8.0168 0.9733 0.6569 0.9938 1.4125 0.6265 0.6939 0.0306 1.0471 1.3576 0.8566 1.7883 0.7872 0.0306 2.6392 2.0988 1.9719 2.1991 1.1481 0.6638 1.2566 0.1136 1.7120 0.3236 3,4-dihydroxyphenylacetate sulfate 0.8362 1.4120 0.4442 0.7724 2.5368 0.7560 2.0869 1.4790 0.4434 1.1313 0.9180 0.7563 0.4847 0.7032 1.4473 0.7869 0.4988 2.0357 2.2456 0.5239 1.9241 1.5766 2.3722 0.7694 0.4115 0.4302 0.8811 1.1878 0.5160 0.5438 0.7098 0.7989 1.0572 0.6836 16.6257 0.8081 1.0064 2.1075 5.1756 2.8976 1.4767 1.1134 0.6767 1.3538 2.0064 0.8458 15.3626 1.4019 0.3309 0.8292 0.9270 1.3789 0.5906 0.3965 0.6624 1.5572 0.4562 1.1018 0.2595 1.0062 1.5017 1.0749 1.9103 1.7943 1.1101 0.9938 0.3005 0.5347 6.8325 1.6138 3,5-dihydroxybenzoic acid 0.2722 0.5644 0.2064 1.2517 0.6610 1.4128 0.0779 1.2199 0.3427 2.1333 0.5422 1.4989 0.2793 1.6189 0.1970 1.2311 0.0740 0.8499 0.5252 0.7178 0.4667 1.0100 0.9548 1.3403 1.1966 0.2628 0.8350 0.9315 0.8648 1.5463 0.1164 1.2322 1.8148 1.1148 2.0567 1.5705 0.3136 1.0325 2.6045 2.7841 2.3627 1.3256 1.0000 3.4363 1.1891 0.9564 0.8015 2.0734 0.2538 3.5118 0.3326 2.8762 0.1365 0.7834 0.9266 2.1366 0.1080 2.1532 0.0740 2.2696 0.1807 1.4787 0.2196 2.0377 0.5610 3.3653 0.3850 0.4865 3.7001 3.2502 3,7-dimethylurate 5.3287 0.1818 2.3496 0.1679 10.5614 0.0122 0.5293 0.0773 1.1698 0.0938 10.8382 1.6021 0.7034 0.0122 4.2821 0.0122 1.6416 0.0122 0.9032 0.0526 3.4689 2.9757 13.5739 0.1345 2.6690 0.5265 0.4424 0.0122 0.2122 0.5598 4.4177 0.0122 0.5954 0.2044 3.6895 0.0122 9.0447 0.2930 1.8563 0.0546 1.0407 0.0515 3.1474 2.1147 7.7754 0.0301 13.5418 0.0544 12.5342 0.7103 1.1299 0.7402 0.9593 0.1902 2.4303 0.0122 2.0861 0.1138 0.1014 0.0122 3.4883 0.6891 2.9776 0.0403 1.5043 6.2574 0.7318 1.9253 3.8031 0.0442 3-acetylphenol 0.0504 0.9270 1.2795 3.9591 0.2910 0.3757 0.9772 0.4134 1.0436 1.0790 0.6711 0.5272 0.6972 0.0504 2.0495 1.1425 0.0504 0.0504 1.2564 0.0504 5.1091 4.8587 0.0504 0.6089 0.0504 0.0504 1.0000 0.0504 0.2183 0.3049 0.2992 0.0504 0.0504 0.0504 11.1778 1.2373 4.4268 2.8297 1.1678 0.6521 1.1533 0.0504 0.7172 0.0504 3.9794 1.5641 0.0504 0.3119 0.0504 1.8796 0.6735 1.3987 0.0504 0.0504 3.6334 2.4203 0.0504 0.5753 0.0504 0.3120 4.4238 1.4085 0.9806 0.6317 0.0504 0.9356 0.6930 0.8044 1.8207 0.0504 3-acetylphenol sulfate 0.4558 0.6908 1.3805 1.3458 4.1854 0.6711 2.0340 2.0223 0.7862 0.8463 1.7684 2.5954 3.9597 0.3474 1.7512 0.8376 0.3399 0.8304 0.5306 0.6108 2.5498 1.2265 2.6924 0.6274 1.0262 0.4091 1.8044 1.5702 0.6172 0.7823 0.9428 0.9738 0.4311 0.0755 5.5435 0.6057 2.4444 1.2378 0.9279 0.7517 1.8294 0.9525 2.6516 0.9220 5.9102 0.7328 4.9517 0.3904 15.4626 1.6541 1.1640 1.7458 0.6121 0.8423 9.9551 4.8165 0.7082 0.7353 0.4628 0.7400 3.8419 1.2619 2.5548 0.6482 0.8628 2.9973 1.5432 1.2010 1.8643 0.5083 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide 0.5058 0.8772 0.8052 0.8170 0.4132 0.3723 0.7191 3.1740 0.4633 0.8195 3.3289 2.1381 0.7579 1.2092 0.6385 2.7962 0.2065 1.2584 0.5641 0.5709 0.8395 1.6379 1.5213 1.6129 1.0050 0.7100 0.5871 0.8097 0.2932 0.3674 0.7586 1.4541 0.2825 0.2539 0.5135 1.4591 3.0604 2.5855 0.9018 0.9129 2.9295 1.5287 1.7469 1.4218 1.8504 2.5970 1.6241 1.2498 0.8609 0.3673 1.3329 2.0386 1.0124 0.9950 1.5034 1.6019 0.4971 1.9014 1.5037 3.3094 0.4669 0.1740 0.6629 2.3255 0.5212 1.8019 0.6091 1.2814 1.7140 1.7058 3-amino-2-piperidone 0.7591 1.3209 0.8225 1.0369 0.7325 0.9959 0.5585 1.1104 0.2771 1.0041 1.4325 0.8032 0.4065 0.8482 0.8115 1.2920 0.7028 1.3602 1.2351 0.8441 0.6806 0.6787 1.5119 1.1430 1.0378 0.8819 1.0374 1.2418 0.8978 0.6370 0.4240 0.5739 0.7172 1.1204 1.1041 0.9390 0.6625 1.3632 0.8364 1.3003 1.1181 1.8240 1.1389 2.0512 0.7047 0.9380 0.9686 1.0572 0.8660 0.7919 0.8847 1.2007 0.8816 0.7945 1.0194 2.3513 0.7820 1.4756 1.0289 1.0434 1.5620 1.1886 0.8533 1.1714 1.0950 1.1374 0.9661 0.9162 1.7735 1.1858 3-aminoisobutyrate 0.3707 3.3671 2.1429 1.9196 0.9852 0.8444 0.6458 1.9701 0.2446 0.2378 0.5222 1.4433 0.5337 0.8135 0.9553 0.6335 0.7037 1.5943 4.2658 1.3432 0.1378 0.2925 1.3295 1.3485 0.3235 0.3595 0.1158 0.1637 1.2462 1.9566 0.8261 2.5586 1.1391 3.6953 0.7410 0.6587 1.1670 0.9942 0.6394 0.8019 0.6113 1.8835 0.3816 1.2703 1.0058 1.3167 14.4195 15.8355 4.8356 0.5214 0.5511 1.3490 3.8184 1.1880 0.3864 0.8815 1.3051 1.3021 0.6202 1.5615 1.6264 7.0809 0.2260 0.4483 0.3986 0.4868 4.7278 2.5493 15.7328 1.1516 3'-a-sialyl-N-acetyllactosamine 0.3092 0.6719 2.2822 1.1976 2.6623 1.8825 1.2838 1.1322 0.4583 1.1095 1.9387 7.3180 0.5538 0.6614 0.6008 0.7075 0.2026 0.2026 0.6494 0.7373 1.0297 0.6193 1.0571 0.9039 2.2938 0.2555 0.8606 0.7665 0.8929 0.6466 0.3868 0.6203 0.2965 0.2026 1.1274 0.7183 1.6014 1.4887 1.0270 0.9591 1.0932 1.3025 1.1283 1.5128 1.1883 0.9061 1.1807 1.4857 1.5438 1.1968 0.7509 0.9714 0.9685 0.8822 1.3544 1.6712 0.7560 1.1193 0.6528 0.9262 0.9861 1.0139 0.9470 0.9344 1.2610 1.7764 1.0197 1.5207 1.2567 0.7899 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP) 0.8978 0.4399 0.7754 0.1941 8.3193 1.4820 0.2926 1.5886 0.4914 0.6812 0.3750 0.6687 0.5866 1.0454 0.5108 0.3758 4.8855 1.7453 0.9955 4.7392 0.2624 0.3319 0.7404 3.3137 1.2268 4.9051 0.8321 4.0860 1.8322 5.3100 6.7913 3.2060 0.3363 0.9739 1.6177 0.5678 1.1858 0.5868 5.8547 5.1589 0.3222 1.2975 0.6169 0.8041 0.9454 2.0285 0.7608 0.5861 0.4225 0.1813 2.0723 6.5511 0.8296 8.4045 0.7746 1.9212 1.2279 1.2259 3.6072 4.9445 0.7497 1.0045 0.7892 1.1929 1.9831 0.6409 1.5260 3.7703 0.2452 2.2931 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 2.5116 2.4960 0.6962 0.3182 30.2294 16.2275 0.2425 1.2726 1.8292 6.0392 0.1331 0.1425 1.7046 2.2978 0.1273 0.1565 0.2130 0.5965 0.5203 0.8175 0.6010 2.0814 5.7052 20.0837 0.6382 0.7729 0.1273 0.5469 0.8002 0.9636 4.0343 3.7951 0.4024 0.7871 0.7343 1.2861 6.9423 5.1274 1.0993 0.9587 1.9785 4.5227 0.1885 0.9732 2.2350 4.9365 0.3335 0.3605 0.1837 0.7735 2.4895 5.2191 0.9700 1.3561 0.3478 0.6157 7.1700 14.6756 4.5502 4.3751 1.1369 1.3749 0.4429 1.1682 0.4348 0.6652 0.8006 2.0718 1.0000 2.5410 3-ethylcatechol sulfate (1) 0.0722 0.0722 0.0722 0.5523 0.7736 0.9243 0.0722 1.6077 0.0722 0.0722 0.7432 1.7671 1.6092 0.0722 1.4530 1.0000 0.0722 0.0722 0.1757 0.8984 0.5574 0.6016 3.4375 0.9006 2.1938 0.0722 0.3292 1.8540 0.8411 0.5935 0.5065 0.0722 1.1884 0.6829 2.5145 0.0722 3.4720 0.5688 0.3369 0.3496 5.3314 0.6682 19.8151 3.7708 4.1949 0.8303 0.2610 0.4986 3.8397 0.7124 3.2010 2.0796 1.0156 1.0059 3.1620 2.2401 1.4046 0.9875 0.1876 1.0156 1.9250 0.7140 0.4911 1.0776 1.1760 0.5719 12.5824 0.0722 3.1403 0.0722 3-formylindole 1.1814 1.9662 0.3859 0.3930 2.5788 1.1074 0.3492 1.8174 0.4174 1.3895 0.8369 0.5275 0.9605 2.5219 0.9899 2.4760 1.1311 3.1982 1.0653 1.1067 0.5478 0.7891 0.8598 1.9071 0.8820 0.9415 0.3701 1.5240 0.5422 1.5209 0.5048 0.7818 0.6348 0.9446 1.1436 0.5988 2.4965 1.9131 2.4674 2.1006 0.4460 0.9708 0.3973 1.5430 0.8407 1.0103 2.5597 2.0508 0.5483 1.1946 1.0101 2.5583 1.2757 1.3712 0.8018 0.9771 0.4221 2.3303 0.7792 1.8554 0.6973 0.5227 0.4581 0.9720 0.6353 1.7148 0.6712 1.2661 1.8533 2.7316 3-heptenoylglutamine 0.2794 1.5335 1.7243 2.2409 0.3877 1.6809 0.3985 3.5737 0.7991 1.2145 0.9030 2.3706 0.6119 0.8661 0.7948 0.8176 0.2794 0.2851 2.0188 0.8728 0.7693 1.0861 2.4050 2.7171 1.3716 0.8806 1.4399 1.2733 0.2794 0.2794 0.3936 0.8201 0.6652 1.0329 2.0781 0.5863 0.9631 2.1806 0.3326 0.5255 0.9105 1.3614 1.4516 2.0898 0.4896 0.7672 0.3212 0.6486 1.8455 0.8277 0.6653 1.3662 1.2834 1.3196 0.3667 1.7407 1.0073 0.8365 0.2794 0.2794 0.9073 2.3920 1.2688 1.9379 2.0588 0.8201 0.9927 1.9568 1.1259 0.2794 3-hydroxy-2-ethylpropionate 0.3998 2.7817 2.6640 1.4347 0.5668 1.7240 0.7766 2.9570 0.9254 0.9142 0.2810 1.1464 0.6608 0.6330 0.9595 0.6141 0.2620 0.4543 0.9259 1.2313 0.4126 0.7293 0.5296 1.8276 1.0715 0.7766 1.2396 2.0681 1.0450 1.1913 0.5034 1.0384 0.7294 0.6711 1.5610 2.0664 1.0474 2.3020 0.8422 0.9925 3.3087 1.0075 1.2137 1.4170 0.9738 1.9767 0.3687 0.3841 2.3342 0.6885 2.1584 2.5843 0.5797 1.2127 1.5154 0.9048 0.5582 1.3540 0.4679 0.3985 1.4116 1.8757 1.7131 2.6484 0.8219 0.6103 1.4571 1.8635 0.6393 0.7219 3-hydroxy-3-methylglutarate 0.4658 1.0640 0.9995 1.0327 1.8270 1.3570 2.0084 1.4658 0.5908 1.4495 1.0802 0.9319 0.5990 1.0005 0.7100 0.9688 0.3505 0.7911 0.6261 0.7011 0.6658 0.7356 0.9187 1.1172 1.0823 0.5633 0.8419 0.9379 1.0743 0.7236 0.5295 0.8520 0.7918 0.6535 1.4485 0.8513 1.2080 1.3659 1.1778 1.3537 0.9483 1.6539 0.8828 1.4775 0.9227 0.9727 1.1023 1.7805 2.0029 1.0444 0.9457 1.1537 1.0321 0.9285 0.8821 1.5888 0.7920 0.9795 0.6878 1.0045 1.1150 1.3245 1.0909 0.8752 1.9485 1.7018 0.9971 1.5738 1.6482 1.0853 3-hydroxyadipate* 0.5390 2.6555 3.4147 3.9628 0.7084 1.2993 0.3044 2.1027 0.8811 1.6090 0.7523 1.3180 0.4586 0.7068 1.3944 1.6908 0.3010 0.7955 0.7187 0.5686 0.4714 0.7387 1.4422 1.0727 1.1848 0.5690 0.7696 0.5771 1.0554 0.5708 0.5646 0.9954 0.5277 0.9357 2.6988 1.5563 1.5568 1.6959 0.5331 0.8276 0.5586 1.2835 1.2224 1.5014 0.6643 1.0046 0.4170 0.7632 4.1832 1.3182 0.7254 0.8905 1.7516 0.8116 0.9143 1.7300 0.2909 0.4205 1.0731 0.6872 2.2222 1.8487 1.3115 1.1702 1.5885 1.6033 1.6466 2.7426 3.3209 0.8422 3-hydroxyanthranilate 0.5334 0.4300 1.1491 0.4725 2.7814 2.5315 0.4870 0.4813 1.5777 2.1309 0.2012 0.2670 1.3854 1.0501 0.9342 0.5194 0.9272 1.8157 1.3445 1.1929 0.2012 0.5752 0.3571 1.0454 0.8807 1.3176 0.9662 1.9248 0.9750 0.8649 0.5160 0.7283 0.6257 0.9698 0.2842 0.6921 0.8628 1.0250 1.0913 1.4258 0.8673 1.0594 0.6093 1.4945 1.3791 2.3196 1.2565 1.2861 0.2012 0.2012 1.4357 1.8984 0.7079 1.7786 1.5756 1.7774 0.8335 1.3204 0.7393 0.8339 0.6800 0.9118 1.9451 0.2012 1.1488 0.7726 0.8275 1.2716 1.2387 3.5950 3-hydroxybutyrate (BHBA) 0.2227 42.2329 10.4952 8.0542 0.7902 10.3105 0.5443 9.4291 8.9388 3.0879 0.2227 14.0883 0.4915 1.3661 0.7829 0.5702 0.2227 1.0293 0.5675 0.4607 0.4172 2.7786 0.6717 1.5840 0.8491 1.3111 0.8627 1.3664 0.7000 0.4651 0.5062 1.4106 0.7798 0.4652 1.8486 2.2964 2.6232 5.0432 2.2152 2.0872 0.6590 0.4893 1.1196 4.8382 0.5351 2.0664 0.2315 0.4195 214.3701 1.2936 2.1594 4.2496 0.5465 0.9707 0.5743 0.6780 0.7559 1.4032 0.4961 0.8788 0.6836 11.8479 1.8595 3.5051 0.3659 0.3051 4.1268 2.3840 0.3668 0.5235 3-hydroxybutyroylglycine 0.2592 1.5940 1.4010 1.3054 0.5353 1.7240 0.5524 2.0346 0.7933 1.0698 0.9690 2.0333 0.4143 0.9705 0.5125 0.5933 0.2433 1.0844 0.7498 0.5633 0.4922 0.9947 1.1574 1.0036 0.6669 0.4433 0.6989 0.5821 1.7553 1.1129 0.8790 1.1062 0.6248 1.6033 1.0563 1.0649 0.7551 1.3418 0.8941 1.5185 0.4676 1.1222 1.0267 1.7417 0.8098 1.1043 0.2512 0.2433 3.1386 1.0303 0.5851 0.7023 1.6537 1.1090 0.8252 1.0000 0.5034 0.6734 0.7975 1.2520 0.6805 1.3712 1.2818 1.8377 1.4943 0.6262 2.4942 1.5706 1.4511 0.4504 3-hydroxycinnamate 0.5406 0.4403 1.2142 2.1041 0.6567 0.4815 0.3169 0.5702 0.4553 0.9757 0.0119 0.0119 0.8603 1.3819 2.6690 1.3283 1.2039 2.1558 1.7792 1.1369 0.9739 2.4015 0.4844 2.0492 0.0119 0.0119 0.5690 1.8994 0.1413 0.7853 1.1796 0.9071 0.1676 0.4460 1.6852 0.7006 4.8580 3.9376 4.7344 2.4134 0.5044 0.4673 0.0119 0.0119 0.7174 0.4081 0.6807 0.2303 2.4724 0.5845 1.9435 7.3812 1.3741 0.5937 9.2714 12.0109 0.0119 0.1870 0.4792 2.4435 5.9402 2.0669 0.4807 0.7052 0.5979 2.5004 1.0243 3.0218 4.4964 2.0693 3-hydroxycinnamate sulfate 0.3370 0.4610 1.5849 4.6289 0.6687 0.7424 2.4519 4.3975 0.9414 1.0256 0.2343 0.3305 0.2106 0.3689 1.1397 0.5036 0.3256 1.8570 1.9850 0.6162 1.4692 3.1682 1.2542 0.8250 0.2610 0.1328 2.2842 2.2427 0.2886 0.5884 1.5283 1.1470 0.1072 0.0931 4.8679 1.1300 2.9084 2.9135 1.3834 1.0366 0.7753 0.6244 0.5295 0.2316 2.3172 0.5986 0.1436 0.0557 0.9744 1.0354 1.0405 2.8686 0.5511 0.2538 4.7072 5.2060 0.1409 0.3276 0.1824 1.1869 3.2395 1.4538 1.7160 1.2635 0.4082 0.6114 1.1759 1.5646 1.6925 0.2545 3-hydroxydodecanedioate* 0.3437 3.0011 5.0534 5.4413 0.3702 1.9400 0.4898 6.9839 1.0981 1.6030 0.2527 0.9248 0.0701 0.3614 0.4371 0.9026 0.3373 1.2634 0.9999 0.8433 0.1664 0.7663 0.9871 1.4422 1.0001 0.5734 1.5475 3.3819 1.5699 0.5472 0.3448 0.7654 0.7591 2.6407 2.3256 1.9280 3.4556 4.7912 0.9725 0.7925 1.2760 1.8095 1.0432 4.5290 0.7207 2.1994 0.3913 0.4370 15.1130 1.0458 0.8190 1.3487 0.7339 0.5647 0.3517 1.8762 0.1449 0.3255 0.6286 0.4951 1.9883 3.2193 1.1808 2.8324 0.8223 1.7132 2.0524 9.7020 5.5582 0.7412 3-hydroxyhexanoate 0.5090 2.5369 1.6871 0.9791 1.4870 2.8183 0.2465 2.1605 0.4218 1.1781 0.0935 0.0935 0.4612 0.9284 0.7855 0.8604 0.4901 1.0699 1.7122 1.8643 0.0935 0.7199 0.4861 1.8935 0.7887 1.3726 0.7062 1.6711 0.9171 1.2749 0.8076 1.6084 0.3916 0.4705 0.6996 1.2607 2.0009 1.8924 1.5781 1.8824 0.4005 0.0935 0.2748 1.0491 0.3777 0.9582 0.4982 0.0935 0.0935 0.2390 1.0209 4.6206 0.9103 3.2030 1.5615 1.6446 0.1526 0.9446 1.0903 1.6419 1.7257 2.0424 0.8308 2.3200 0.3062 0.3902 0.6563 1.5804 0.0935 1.0645 3-hydroxyhexanoylcarnitine (1) 0.4964 1.3218 3.5399 2.3266 0.3572 0.8461 0.2001 1.8996 1.1158 0.9942 0.4257 1.7737 0.4982 1.0058 1.4317 0.8750 0.3353 0.6841 1.7472 0.6482 0.4660 0.7731 3.6755 3.0112 1.3862 0.7605 1.2591 0.8906 2.0332 0.6518 0.3061 1.3577 0.6019 1.2417 2.5478 0.8815 0.8167 2.4204 0.6876 0.9079 0.4037 0.7831 1.6039 1.5517 0.7963 1.6695 0.7776 0.7887 3.0556 0.6216 1.7004 2.1826 2.1058 1.5663 0.6179 1.4369 0.6497 0.9391 1.1559 0.5812 1.6490 2.4386 2.3283 1.3743 1.5999 2.8831 0.5961 0.4105 3.5698 0.9708 3-hydroxyhippurate 1.1183 0.9321 1.0567 2.0236 0.6691 0.3906 1.0197 0.6949 0.6266 0.8090 0.6559 0.6011 0.8119 1.0285 1.4407 0.8975 1.0996 2.8975 1.0083 0.4427 4.0369 3.5394 0.9880 1.0646 0.3434 0.2444 1.1442 1.5432 0.3097 0.7463 1.2192 0.7656 0.1652 0.1050 5.5386 0.8172 2.8444 1.8663 2.0401 1.6732 1.1477 1.2955 0.5598 0.3356 2.7551 0.9578 1.2508 0.5674 0.7120 1.1685 0.9958 2.3862 0.1693 0.1301 2.5512 3.0386 0.2058 0.5542 0.1793 0.5566 2.8982 1.0042 0.6202 0.3443 0.5699 1.4929 1.2745 1.9573 6.3527 1.8789 3-hydroxyhippurate sulfate 1.5296 0.8093 0.6788 1.5400 1.3163 0.8458 13.7188 7.1633 0.4439 0.5935 0.4041 0.8321 0.9948 1.2741 0.9108 0.3247 1.8175 7.9428 1.0052 0.4384 3.5651 2.1926 1.0169 0.6077 0.3440 0.1391 1.8102 1.8249 0.3354 0.7796 2.7816 0.9808 0.3243 0.0747 8.0902 0.8319 3.8147 2.0082 1.7981 1.3480 2.0233 1.6097 0.6749 0.2519 3.3111 0.8169 1.6184 0.5117 0.6278 1.4768 1.0224 2.1542 0.0791 0.1538 2.9827 2.2634 0.2400 0.6233 0.2036 0.6738 2.0976 0.5709 1.6846 0.8475 0.8842 0.8953 1.8221 2.5565 12.9510 2.7436 3-hydroxyindolin-2-one 1.8825 2.6868 0.5687 0.4984 0.0496 0.3622 0.5251 0.7505 0.3778 0.3470 0.9843 0.4251 0.8651 3.5306 1.5649 2.1757 0.0496 0.0496 2.0823 0.0496 0.2813 1.3050 1.5363 0.4308 0.9518 0.0496 1.0157 0.0496 0.9430 0.0496 0.0496 0.4730 1.1680 1.3498 0.3202 0.4974 0.7593 1.0703 0.0496 0.0496 1.6357 1.6707 0.4325 2.0629 0.6265 0.7045 1.5498 1.4145 2.0950 0.3360 1.0967 0.0496 1.0639 0.0496 1.4772 1.0589 1.8459 0.5892 0.5361 0.0496 2.8676 1.0339 0.7141 0.6232 1.5141 1.6090 0.7632 0.0496 1.0398 0.0496 3-hydroxyindolin-2-one sulfate 0.4839 1.0000 0.5660 0.6007 0.1356 0.6274 0.7366 1.9985 0.3941 0.4328 3.8200 3.1957 0.4011 0.2992 1.2038 1.0384 0.3352 0.3492 1.6511 0.0476 0.3879 1.0257 0.9145 0.5717 1.7451 0.0611 1.4011 0.6311 3.1338 0.4548 0.2803 1.8156 1.5437 0.4655 1.8992 1.0869 1.7075 1.2149 0.0476 0.4911 1.9537 1.1172 2.1111 0.8869 1.2538 1.1105 1.0048 1.6236 1.2639 0.7599 0.8627 0.7117 0.9251 0.2962 1.2909 1.1550 1.4001 1.8611 0.3339 0.0991 1.7734 1.3838 1.2978 4.3245 1.0535 0.9070 1.3299 0.1252 0.3073 0.1495 3-hydroxyisobutyrate 0.7803 2.0367 1.0671 0.8071 1.1384 2.0007 0.8501 1.6902 1.3845 1.3565 0.8544 1.2199 0.9947 1.0053 0.6526 0.5505 0.6278 1.0974 0.5860 0.6929 0.6174 0.7131 0.5162 0.8314 1.2791 0.7733 2.1445 1.8635 0.7676 0.6858 0.7448 1.3245 1.1159 0.3374 1.5607 1.6745 1.1197 1.2855 1.3090 1.2108 1.7213 0.5869 1.3371 1.0839 1.2640 1.8222 0.4115 0.4651 6.2400 0.9343 1.5079 2.3263 0.6531 1.2086 1.1253 0.9411 0.9135 1.8960 0.3977 0.6477 1.4838 1.1837 0.9707 1.4804 0.9665 0.9169 0.5751 0.9538 0.3556 0.8137 3-hydroxykynurenine 1.0550 2.0464 2.3081 1.7047 1.1381 1.3789 0.8494 2.8336 0.7474 0.7179 0.1703 0.7167 1.2868 1.4491 0.4516 0.4760 0.1703 0.1703 1.5067 0.7209 0.1703 0.5195 1.0025 1.0296 1.5496 1.3494 0.8859 0.9029 0.3937 0.3081 0.1703 0.6449 0.5271 0.1703 0.6349 0.9011 1.2112 1.5453 0.1703 0.1703 1.3026 1.0107 1.2239 1.2500 1.6763 1.7828 0.5934 1.1138 0.2315 0.7177 2.9410 3.1691 1.0919 1.4260 4.1084 1.7947 0.3412 0.7088 0.4166 0.5968 0.6260 0.8540 1.6317 1.1608 0.4775 0.5812 0.8804 0.9975 0.1703 0.4878 3-hydroxyphenylacetate 0.4696 0.5588 0.1195 0.9157 1.4781 0.8527 2.7864 0.9959 0.2214 1.5652 1.4430 0.7940 2.4124 0.4463 2.4575 1.2249 0.0515 0.1505 1.4627 1.0041 0.2380 0.2717 1.9037 1.3108 0.7004 0.5514 0.6811 0.9207 0.5081 2.1611 0.3946 0.9084 0.5493 0.3526 1.3318 1.5191 2.1391 1.5373 2.3814 0.8703 0.6808 0.8354 1.0611 1.6313 3.3254 1.3874 5.8197 1.5860 0.6832 1.4531 1.7835 1.1337 0.3434 0.8364 0.6877 1.2747 1.7975 0.9480 0.4493 1.6031 2.5801 1.7125 1.1479 1.0181 1.7244 1.7342 0.2708 0.5132 0.6091 0.3931 3-hydroxyphenylacetate sulfate 0.9134 0.8732 0.1063 0.3580 2.5719 0.9078 4.5395 3.6791 0.0441 0.0823 1.1455 0.5204 0.7690 0.4686 1.7059 0.6050 0.0441 0.0441 1.5145 0.7033 0.2018 0.3802 4.5771 0.7619 0.6715 0.4402 0.6989 1.1976 0.6756 1.8759 0.4268 0.8013 0.3966 0.5021 4.2382 1.0353 1.5312 1.7531 2.6802 1.1384 1.2767 0.9607 2.1621 2.7578 10.4478 1.3955 5.3810 1.4171 0.6000 1.0914 1.3747 1.1043 0.2549 0.3972 1.0238 1.9300 1.2300 1.3223 0.4531 1.7820 1.0160 0.7333 3.4939 3.3845 0.9840 1.2031 0.3061 0.5298 0.8074 0.3738 3-hydroxyphenylacetatoylcarnitine 35.4050 9.8267 0.7466 0.4238 6.5807 0.7060 0.6322 0.8463 0.1381 0.0792 0.3111 1.2063 3.5316 1.3536 5.9943 1.0575 0.2834 0.0792 10.8960 0.9483 0.1312 0.0792 46.6884 3.0293 1.8130 1.1925 0.7933 0.8622 1.3422 0.7730 0.2490 0.5369 0.6376 0.9347 11.8219 0.7288 0.8303 2.3753 5.4006 0.8232 0.1046 0.2838 2.7565 1.8613 13.6351 4.7448 50.5243 2.8511 0.8036 0.4096 3.1328 0.6614 0.1365 1.0212 0.0792 0.1855 3.5605 0.9467 2.5048 0.3134 2.7261 0.6070 1.6575 0.1004 2.2259 3.8946 1.0000 0.8808 8.2810 1.0828 3-hydroxyphenylacetoylglutamine 2.1578 1.6044 0.2320 0.3167 1.8580 0.7581 1.5069 1.0406 0.1049 0.1761 2.2228 1.1541 1.2754 0.7490 1.5064 0.9313 0.0466 0.1124 1.1485 0.7229 0.3000 0.3938 3.9544 1.0303 0.8983 0.5793 0.6517 0.9744 0.4402 1.0893 0.2438 0.3522 0.6024 0.4930 2.5369 0.8693 1.9654 1.4814 4.3417 1.5507 0.9296 0.7860 1.8653 1.7464 6.7054 1.8288 6.6131 1.3313 0.3966 1.0845 1.0490 0.7628 0.3248 0.4305 0.7887 1.3329 1.8715 1.4387 0.7474 1.3912 0.8066 0.5780 1.1070 0.8093 1.0296 1.4426 0.5134 1.0914 1.0256 0.6057 3-hydroxyproline 0.7724 1.7417 0.9895 0.8111 2.5135 1.2015 0.9237 1.7820 0.3978 0.8078 0.4275 1.2550 1.3408 1.6400 0.7285 0.8800 2.2010 4.0277 0.8169 1.0419 0.6149 0.8865 1.2553 0.8275 1.1444 2.7441 0.6978 2.0903 1.0746 1.0776 0.4560 0.7351 0.6880 1.0896 2.4462 1.4675 0.3837 1.0763 0.1827 0.4122 0.2900 0.1827 3.2812 1.6451 0.5277 3.0348 0.1827 0.2595 0.1827 0.7771 0.6972 1.1524 0.5965 1.4140 1.5945 0.7568 1.1857 1.5336 0.8254 1.1547 0.1827 0.2421 1.0000 1.9867 0.5100 0.1827 0.9508 1.7307 0.1827 0.1827 3-hydroxypyridine sulfate 0.3459 0.5888 0.4979 0.5278 4.4203 0.6828 0.3903 0.8436 0.1847 0.7566 0.9812 3.7895 12.2650 0.3886 3.4644 0.6180 0.3811 0.2346 1.8877 1.0726 1.1277 0.8029 5.5595 0.8500 2.1790 0.5039 0.4350 0.6073 1.4532 1.8678 1.2362 1.1414 1.0188 0.6099 5.4259 0.8745 2.8903 0.7546 1.3645 1.2964 2.8246 1.9542 3.5046 2.5773 1.5717 0.3937 1.0375 0.3818 1.6351 0.7745 1.4710 1.4811 1.0722 1.7097 1.1071 0.9748 0.3411 0.3466 0.5655 0.9689 1.0498 0.9159 0.9540 0.7805 1.1621 1.9910 2.0864 0.2923 3.3887 0.4315 3-hydroxysebacate 0.3192 2.4933 6.8579 6.7102 0.4448 3.3988 0.5583 7.3816 1.0676 2.2530 0.3615 0.7896 0.2106 0.4048 0.9670 0.9680 0.1641 1.0320 0.7483 0.8392 0.2558 0.7416 0.7579 1.0991 0.8643 0.4427 1.1653 1.2724 1.4745 0.4365 0.3424 1.0823 0.7515 2.1047 3.6896 2.4105 2.0609 3.6823 0.3898 0.5049 0.9200 1.2032 0.9547 2.7135 0.5322 1.4418 0.2422 0.3438 11.5836 1.4852 0.7017 1.0547 1.1281 0.7943 0.4365 1.6241 0.1579 0.3535 0.5916 0.7758 1.6189 3.3658 1.4628 1.9916 1.0342 1.4707 1.6387 5.9258 3.3514 0.5642 3-hydroxystachydrine* 0.2043 0.3721 2.0705 2.6271 0.0985 0.8007 0.4733 1.8921 0.0159 0.7425 0.9975 1.0988 1.6664 2.0525 0.0455 0.7356 0.8285 1.3791 0.0987 0.5621 0.1482 2.2960 0.4668 1.9740 1.5967 2.7534 8.2723 4.6130 1.4149 3.0395 0.4926 1.6261 0.6745 2.3019 0.1397 0.6643 0.7856 1.2481 0.1865 0.8861 0.9656 1.0628 0.5263 1.5031 0.1917 0.6468 0.0159 0.0904 0.1615 0.8647 0.0650 0.3941 1.2300 3.8251 0.4884 1.4027 1.1218 1.0058 1.1435 1.2362 22.9652 20.4134 3.9637 1.2245 0.8415 1.0025 0.0159 0.7359 9.1564 1.0951 3-hydroxysuberate 0.3931 2.2772 2.9420 3.6705 0.8960 1.8637 0.5918 3.1025 0.9908 1.7477 0.7310 1.0475 0.3644 0.8881 1.0418 0.8771 0.2619 0.7113 0.8650 0.7235 0.5870 1.0000 1.2637 1.4595 0.9489 0.5965 0.7955 0.7060 1.1985 0.4196 0.5005 1.2206 0.6400 1.1102 2.5717 1.1173 1.8868 2.1749 0.4666 0.8369 0.8094 1.5087 0.9787 2.0657 0.4594 0.9214 0.4384 0.5706 4.9082 1.6738 0.8766 1.1325 1.5164 0.9398 1.0461 1.5776 0.2619 0.3783 0.5348 0.6403 1.4201 2.2778 1.9929 1.4225 2.2948 1.7958 1.9038 2.8890 2.5893 0.6128 3-indoxyl sulfate 1.4846 1.7257 0.9575 1.0398 0.3025 0.4031 0.5786 1.0252 0.4528 0.4558 1.0729 0.5779 0.6693 0.9764 1.0566 1.1621 1.2857 1.0372 0.8624 0.6538 0.5581 0.9831 1.4070 0.4847 1.6635 1.6528 1.4056 1.2168 0.9112 0.4288 0.9942 1.0909 0.6969 0.9633 0.8992 1.0370 1.1467 1.0233 0.4576 1.4201 1.2093 1.0298 1.3848 1.3729 0.9409 1.1298 1.0091 0.9833 1.5800 0.9151 1.0058 0.7576 1.2619 1.3960 0.8988 1.0749 0.7279 0.6331 0.7797 0.8474 1.6508 0.8802 0.6564 1.4395 1.1623 0.8569 1.1928 1.3505 0.6874 0.6148 3-methoxycatechol sulfate (1) 0.5677 3.7860 0.3748 0.2519 0.6398 1.8222 1.4799 0.4079 0.9770 2.2188 0.5885 0.4143 1.9891 0.6759 1.3744 1.7172 0.5088 1.0760 4.4517 3.5419 0.5035 1.9511 0.2864 0.3802 0.2078 1.6943 0.5641 4.0987 0.2961 0.2371 1.0523 0.1588 1.0317 0.8122 1.0157 1.3055 0.6100 0.8765 0.5887 3.0705 6.7188 1.4592 2.4938 2.1696 0.9843 0.7490 0.5310 3.6028 1.8240 2.3534 1.9194 1.3855 2.9903 0.2887 1.3851 0.9824 0.1928 2.5148 0.4764 5.0696 0.6908 1.1748 0.7379 2.4250 0.4121 0.4397 3.0285 0.6255 0.4981 3.8065 3-methoxycatechol sulfate (2) 0.2734 0.8059 0.4726 0.8502 0.9304 0.8021 0.5770 0.9953 0.9491 1.4385 0.6378 0.5639 3.4940 0.8801 1.0894 0.9188 0.1159 0.8322 1.4645 1.3775 0.9413 0.9365 0.9924 0.9822 0.6931 0.1159 1.0353 0.1159 0.4194 0.5533 0.4452 0.8047 0.7139 0.4880 2.4933 0.9290 1.2664 1.5610 2.1207 1.6078 3.2589 1.1213 1.3177 1.7805 1.8655 1.0507 1.0047 1.1104 0.5622 5.2058 0.5058 1.1525 0.4349 0.6573 2.7982 1.0886 0.3271 2.5045 0.1459 1.4615 1.1695 1.1879 1.4374 1.6972 1.6966 1.4418 0.9254 4.1359 2.5638 1.8428 3-methoxytyramine 1.3663 1.6874 0.9643 1.0520 0.7105 0.9645 1.1671 2.3674 0.5932 1.1348 1.0284 0.9158 0.5502 1.0915 0.7060 0.8847 0.8313 1.5433 0.6224 0.4069 0.4339 0.7136 1.4664 0.8807 1.6753 1.6541 1.1433 1.3405 0.8024 0.5709 0.9630 1.3128 0.6321 1.3456 1.3412 0.6922 0.9034 1.0000 0.4651 0.3097 0.8862 1.1484 0.9362 1.8800 0.4313 0.5561 1.1566 0.8564 1.2741 0.8289 0.9590 1.2736 1.0939 0.8873 1.2395 2.6912 1.0000 0.9548 1.2474 0.8606 1.6813 1.2368 1.4682 1.3112 1.3638 1.2825 0.5593 0.8684 3.1159 1.2283 3-methoxytyramine sulfate 0.6926 0.9977 1.0026 0.7475 1.6076 0.6284 1.1399 1.8649 0.7462 1.5829 0.8269 0.8543 1.0059 1.2704 0.7462 0.8273 0.5622 1.3447 0.4262 0.4261 1.4726 0.6131 0.9807 0.7412 1.0758 0.8297 1.0590 1.0791 0.8233 0.7047 0.7987 1.2588 0.4868 0.5246 1.7128 0.7947 1.1041 1.2250 1.0883 1.0007 0.5823 0.9896 0.9993 1.3569 0.7943 0.6522 1.2739 1.1824 1.5133 0.7448 0.7353 0.8929 0.7775 1.1308 1.2450 2.2842 1.0545 1.2973 1.2732 0.7988 0.7548 0.9645 1.6353 1.0646 1.4202 1.0412 0.8131 1.8896 2.9014 1.0062 3-methoxytyrosine 0.8028 1.9180 0.7335 0.8268 1.0028 0.9103 0.7939 2.0173 0.5843 1.1595 0.5505 0.8840 1.0737 1.1532 0.4797 0.4520 0.6362 1.6496 0.5757 0.5893 0.6831 0.5096 1.4656 0.9771 1.2157 0.8062 0.6113 0.7292 0.9972 0.8543 0.6012 0.9560 0.5497 1.2443 2.0041 0.9886 3.0798 1.3456 2.4646 1.0897 1.4712 1.9388 1.4963 2.2424 1.0804 1.1834 0.9710 1.3870 0.4787 0.7395 1.5987 2.9447 0.7697 1.5088 1.1541 2.1793 0.6438 1.4630 0.6806 0.9758 0.8177 1.1558 1.3628 1.4201 0.8180 1.4545 0.6837 1.5663 2.0300 1.6380 3-methyl catechol sulfate (1) 0.3858 1.1007 0.4157 0.6512 1.3703 0.5643 0.3115 8.4805 0.1050 0.8137 1.4269 5.3661 10.4698 0.2495 2.8264 0.7380 0.1634 0.6108 0.3221 0.6791 1.9639 0.9021 3.9561 0.6396 2.0322 0.8304 0.7037 2.5052 1.4192 0.6918 3.5944 1.2722 3.3403 0.9850 9.3812 0.7559 3.8689 0.6882 1.4226 0.4633 4.8849 0.6502 12.0722 2.9782 3.0110 0.6933 2.0956 0.4282 3.1454 1.3736 2.2846 1.5996 0.6660 0.8691 2.4569 1.0757 1.0150 0.6751 0.2596 0.6069 1.9800 0.9096 0.6994 0.5900 2.2998 1.4770 10.2079 0.4004 2.3576 0.2612 3-methyl catechol sulfate (2) 0.2057 0.2057 0.4285 0.7882 1.9693 0.7473 0.2057 3.7215 0.2057 0.2057 0.7302 1.0130 15.7784 0.2057 1.9229 0.2057 0.2057 0.9992 0.2057 0.3297 1.2331 0.2057 0.7615 0.6835 0.9497 0.5230 0.2057 1.0000 0.4940 0.6822 0.2057 0.2057 1.5783 0.5111 1.3444 0.4865 4.1540 0.9973 2.0541 0.5286 7.4450 1.9510 14.0522 2.1402 3.4049 0.8112 4.6377 0.5542 3.1123 2.0045 2.3050 1.1537 0.6339 0.6510 2.4847 0.7565 0.6918 0.5748 0.2057 0.5352 2.6054 1.1089 1.4949 0.5374 1.8086 1.5169 10.4781 0.8392 1.9787 0.4585 3-methyl-2-oxobutyrate 0.3582 2.1224 1.0190 0.7530 0.5304 1.2059 1.1111 2.8431 0.9230 1.8240 0.7358 0.9525 0.4502 0.8264 0.3682 0.5222 0.3082 0.9058 0.4067 0.2712 0.7178 0.6743 0.4311 0.8442 1.2780 0.6772 1.8483 1.1032 1.0511 0.9517 0.8068 1.4778 0.6963 0.5717 1.5990 1.1926 1.3969 1.5233 1.0710 1.2021 1.2222 1.1696 1.5000 1.8994 1.5967 2.8708 0.4240 0.7108 2.3657 0.9055 1.0080 1.4140 0.6983 0.8348 0.6395 1.0478 1.2377 2.5501 0.5365 0.7417 1.2540 2.2605 1.5506 1.6857 0.9145 0.9920 1.3940 1.6084 0.7757 0.9187 3-methyl-2-oxovalerate 0.3199 1.9940 1.0131 0.7844 0.9869 1.5800 1.2608 2.9208 0.8382 0.9655 0.3702 0.8319 0.3297 0.4880 0.3454 0.3643 0.6255 2.4098 0.2656 0.2736 0.6098 0.8975 0.2919 0.6018 1.1917 1.1031 1.7845 1.6511 0.8631 0.6167 1.2163 1.8914 1.0774 0.5206 1.6122 1.6175 1.3572 1.8426 1.2811 1.3368 0.8654 0.5685 1.7589 1.5887 1.7997 3.1613 0.4482 0.3605 1.1970 0.8146 1.0277 2.1780 0.7359 1.2336 0.5446 0.7899 1.2261 3.4253 0.5729 0.5790 1.6784 2.2495 1.3898 1.5359 0.3179 0.4040 1.1502 1.4723 0.1299 0.4782 3-methyladipate 0.4633 1.7694 1.3598 1.0212 1.4881 1.2050 1.4139 1.1771 0.9258 2.6599 0.6783 1.1750 0.4494 0.5754 0.9722 1.1491 0.1106 0.3821 0.8652 0.8250 0.6682 0.8779 0.8082 0.8845 1.2388 0.3699 0.6605 0.7868 0.8045 0.6543 1.1306 0.8521 0.4933 0.7037 1.4461 1.0867 1.8690 1.5218 0.7138 1.2707 2.1295 1.4382 1.2767 1.5136 1.3793 0.9606 0.7193 0.9555 1.1474 1.0386 1.4863 0.8215 0.8779 0.8097 0.9097 1.2136 0.9575 0.9788 0.4557 1.0336 1.5291 1.5582 0.8764 1.3834 1.0697 1.3171 1.3213 1.8203 1.4341 0.6843 3-methylcrotonylglycine 2.2464 1.9742 0.5908 0.6120 4.8879 1.2693 0.8940 1.0134 0.6905 0.4705 1.0000 0.7735 2.3373 1.4137 0.8072 0.6031 3.2204 2.2248 0.5534 0.8780 0.4534 0.5257 0.9269 0.5837 0.9709 1.7272 0.8248 1.9362 0.6030 0.7141 1.8212 0.9809 1.5038 1.9043 0.7783 0.8648 1.2393 0.9407 0.9640 2.0615 2.0263 2.1336 1.2727 2.2988 1.3417 1.0716 3.5623 2.5718 2.2094 1.2683 0.5836 0.4850 0.7171 0.5222 0.6415 1.6646 0.7567 0.3295 0.9476 1.2431 2.1063 0.9851 0.3295 0.8962 1.7178 1.2585 0.6024 1.5559 3.3428 1.9466 3-methylcytidine 1.1113 1.6645 0.8111 0.5618 0.8794 0.7878 0.9232 1.4727 0.6755 1.4319 1.0016 0.8340 0.5049 1.9553 0.5311 0.6707 1.4081 4.4013 0.5578 0.4748 1.2584 1.0795 2.6362 1.4344 0.6509 0.8735 0.6041 1.0648 1.0076 0.9316 0.4109 0.5011 0.2308 0.7010 1.2213 0.5984 1.4930 1.8133 1.2344 1.8425 0.9555 1.8690 1.2411 2.7727 0.7978 0.7605 1.2337 1.2844 1.2165 1.1106 0.9014 1.2051 0.6766 0.6377 0.8164 1.6857 0.7087 1.0726 0.7420 0.9250 1.0822 0.9984 0.9436 0.8897 1.4872 1.4404 0.8787 1.7905 3.6341 2.5768 3-methylglutaconate 0.4603 0.6762 0.7290 0.6743 1.9827 2.5823 0.5412 0.9175 1.3184 3.0649 0.9931 0.6918 1.3927 2.8446 0.7155 0.6730 0.6997 1.6602 0.6005 0.7501 0.6660 0.7781 0.7828 0.8613 0.8064 0.4755 0.6916 0.4895 0.8873 0.7818 0.7764 1.0069 0.7815 0.7081 0.8155 0.6012 2.2788 2.3781 1.2878 1.6123 1.5197 1.9376 1.1820 1.6120 2.3867 2.0948 1.7598 2.9778 1.4623 1.1156 0.9090 1.0522 1.3175 0.7783 0.8096 1.1664 1.0459 1.1199 0.5239 0.8570 1.2990 1.3462 0.9465 1.0303 1.6421 1.5875 1.4667 1.7192 1.2764 0.7283 3-methylglutarate/2-methylglutarate 0.5447 1.1646 0.6801 0.9426 2.9199 3.3054 0.4814 0.7506 2.1878 6.0871 0.7442 0.5434 1.4977 3.6190 0.5849 0.9429 0.7944 1.9189 0.6817 0.9916 0.6605 0.9649 1.0506 0.8666 0.6437 0.7422 0.4750 0.5961 1.1334 1.1346 1.0084 1.4575 0.5186 0.7449 0.7847 0.7411 2.2983 2.1834 1.8284 2.5833 1.9447 3.7632 1.2969 2.5554 2.0138 1.9687 1.6326 2.7310 1.4203 0.8818 0.9704 1.0333 1.0622 0.5850 1.7724 1.3619 0.7749 0.8200 0.5659 0.9059 0.7928 0.9318 0.9505 0.8773 1.5328 1.4623 1.3388 1.3347 2.2361 0.8374 3-methylglutarylcarnitine (2) 0.6310 1.0968 0.9018 0.6125 2.9906 2.6891 0.2064 0.6626 1.4738 2.2578 0.6964 0.5507 2.3633 5.5358 0.6643 0.7392 1.2450 2.0698 1.0349 0.9659 0.5762 0.6490 1.1911 0.8293 0.6750 0.3188 0.5455 0.5302 1.0829 0.9235 0.9741 1.2163 0.4258 0.4345 0.8347 0.4029 3.7229 4.6105 1.2438 1.0321 1.5013 1.9779 1.5981 1.8538 4.2107 2.3729 2.3137 2.9757 1.8202 2.3446 0.9222 0.9329 0.6603 0.4681 0.8405 1.1873 1.0577 1.2775 0.3691 0.4504 0.6182 0.4979 0.7714 0.7991 1.4355 3.1362 1.0603 0.7075 2.7623 1.0259 3-methylhistidine 2.8989 0.5572 10.0746 0.4029 0.2816 0.2648 15.0519 1.1583 6.0703 0.4181 28.1175 0.4520 1.1618 0.3441 4.9464 0.3573 11.2884 0.8417 10.8664 0.4549 14.5789 0.4007 11.8089 0.5943 2.1461 0.2733 12.8768 0.6071 10.2061 0.5199 15.4698 0.4938 21.7977 0.4183 4.9138 0.4804 4.4532 0.5112 1.8267 0.3918 0.2469 0.3369 2.7067 0.3605 3.2973 0.3713 7.6260 0.4025 11.0869 0.3184 5.2444 0.3717 26.3046 5.9393 15.4927 0.5946 24.8676 0.5899 8.2944 0.3660 5.8238 0.3612 2.3611 0.4340 9.0666 0.4564 2.5814 0.2626 9.1466 0.4333 3-methylurate* 3.5689 0.0234 0.5371 0.0344 7.5067 0.0234 0.0503 0.0234 0.2705 0.0234 2.4511 0.7297 0.8148 0.0234 1.3624 0.0234 0.5381 0.0234 0.3494 0.0234 0.9965 1.3997 11.4193 0.0234 1.3111 0.1298 0.1873 0.0234 0.0558 0.1329 0.8156 0.0234 0.1530 0.0234 1.0035 0.0234 16.0387 0.3567 0.7409 0.0234 2.0947 0.0234 3.0662 1.1897 15.8427 0.0234 6.1819 0.0234 24.5359 1.3721 1.2570 0.6001 0.8882 0.1513 2.4856 0.0234 1.3984 0.1788 0.1218 0.0234 2.5441 0.3855 2.1170 0.0234 1.7677 8.6983 0.8721 2.4330 3.9656 0.0234 3-methylxanthine 6.4678 0.1429 1.4974 0.1177 14.7461 0.0209 0.1618 0.0143 0.8736 0.0371 3.8001 1.2999 1.3429 0.0619 2.7242 0.0497 1.6053 0.0552 1.4797 0.0071 2.8245 3.6659 21.8514 0.0270 3.7759 0.6550 0.5109 0.0042 0.2192 0.4329 1.8795 0.0042 0.3472 0.0042 2.1441 0.0042 5.9867 0.2437 1.0890 0.0273 1.3117 0.0042 2.0144 1.9631 11.6183 0.0238 7.5457 0.0168 15.5193 1.0494 1.1198 0.8139 0.5505 0.1408 2.3175 0.0067 1.0969 0.0740 0.1010 0.0042 2.1182 0.4492 1.7799 0.0042 0.9506 5.6823 0.5505 1.6911 4.1242 0.0064 3-phosphoglycerate 0.5781 0.2019 0.5504 0.6904 2.8554 1.1967 2.5228 2.0171 0.2276 0.9341 0.5486 2.4342 0.3923 1.1495 0.2019 0.4208 0.2019 0.2019 1.3321 0.6817 0.4046 1.6903 0.2019 1.5460 1.2067 0.2019 0.4918 0.2019 0.2838 1.0512 0.2820 1.2815 0.9348 0.2019 2.4882 1.7715 0.5613 1.6254 0.8611 0.6166 0.9052 1.8394 1.3483 0.5679 0.6311 1.0907 0.8822 1.1383 0.2864 1.1951 1.5222 1.3412 1.1391 0.6917 0.8693 0.7660 2.0773 1.6560 0.2705 0.8476 3.4759 3.0058 1.6513 1.1856 3.0899 1.0614 0.5337 1.0000 0.5335 0.3752 3-S-cysteinyl-2-methylpropanoate* 0.0136 0.0136 0.3617 1.0424 3.0303 0.6735 0.3710 1.0948 0.3226 1.5240 0.7082 2.2906 0.2698 0.0136 0.0205 1.0208 0.0898 0.0136 0.0390 0.7382 2.1154 0.5079 0.0136 0.9735 0.3767 1.1644 0.6666 6.9686 0.6570 1.3049 0.4653 0.9220 0.2242 0.0136 6.3850 0.7871 1.7814 3.2327 2.0231 3.0073 0.5538 4.6301 1.2192 2.4930 0.8518 0.2857 1.1687 2.9492 1.9758 1.3237 0.8414 2.1654 1.7068 0.5102 0.4152 2.5866 0.0136 0.5305 0.7087 0.0899 1.2001 2.8031 1.9714 0.1464 1.6806 1.9683 0.9792 1.9080 1.9685 0.8097 3'-sialyllactose 0.7180 1.3525 4.8457 4.3747 1.3511 2.5852 3.5878 1.3067 0.5955 1.3998 3.5686 9.8597 0.7591 1.4300 0.9521 0.8094 0.3553 0.9396 0.6408 0.7175 2.7076 0.9456 1.9346 0.9857 5.0213 0.3459 1.0740 0.7729 0.9709 0.7846 0.3037 0.6632 0.6030 0.5416 1.0724 0.5704 1.3330 2.7543 0.4652 1.3580 1.7429 2.5154 0.5975 2.9907 0.4108 0.4818 1.4715 2.8458 2.8077 1.3792 0.4886 0.6326 1.1454 0.3458 0.9181 3.4506 0.8491 0.7898 0.6477 0.5520 1.3536 1.0107 1.6737 0.4782 2.4540 3.1059 0.9893 0.8054 3.5297 1.0362 3-ureidoisobutyrate 0.6946 5.1257 0.4941 0.5846 1.4568 1.1587 0.1633 0.9545 0.1633 0.7376 0.2844 0.5927 0.7243 1.9368 0.4521 0.3756 1.4099 2.7560 0.9200 0.1633 0.1633 1.4629 0.5553 0.5813 0.4417 1.3469 0.7389 2.1369 0.4875 1.0086 0.9914 1.7311 1.0797 1.2540 1.1841 0.9679 0.7284 1.2240 1.2527 0.1633 0.9760 2.4872 0.1633 1.7606 1.4478 1.1433 1.9800 2.7141 0.1633 1.3487 0.1633 0.1684 1.8557 0.1633 0.1633 1.4422 0.1633 0.1633 0.1633 0.2502 0.3188 0.5871 0.1633 0.1633 0.1633 0.1633 0.1633 0.1633 0.1633 0.1633 3-ureidopropionate 0.7276 1.4598 0.8532 0.8130 0.9262 0.9041 0.4224 0.8021 0.4472 0.9001 0.6556 0.7264 0.6752 1.3662 0.4312 0.9790 0.6609 1.1090 0.6818 0.7216 0.4923 0.9717 0.8866 0.8483 0.5339 1.1512 0.8751 1.4089 0.6972 1.2046 1.1631 1.5964 0.5026 1.0763 1.1010 1.3413 1.5189 1.5764 1.4501 1.5062 0.6467 1.3850 1.0210 1.4477 1.2296 1.2503 1.0971 1.0918 3.8627 2.9416 1.4659 1.9758 0.8424 0.8214 0.7716 1.3752 0.6581 1.1245 0.4236 0.7739 1.1026 1.1845 1.0824 1.3828 0.6778 0.8540 0.7696 2.2892 1.9295 1.1477 4-acetamidobenzoate 0.2684 1.2985 0.2684 0.2684 0.5356 0.5455 0.3146 0.8830 0.2684 0.2684 0.2684 0.4727 0.6629 0.2684 0.9818 1.8120 0.2684 0.2684 0.7536 1.0919 0.2684 0.2684 5.6539 0.6381 1.0718 1.5373 0.2966 0.5480 1.2194 1.8955 1.2487 1.1260 0.7074 1.5948 0.5646 0.3519 0.2684 0.5639 4.4706 2.0694 1.4462 1.6427 0.5689 2.3990 0.6412 0.3441 0.8049 0.7767 0.2684 1.7793 0.8432 1.6027 0.7047 2.0378 1.0414 1.5553 0.4904 1.1930 0.2684 1.8131 1.2058 2.2883 1.0182 1.4590 0.8641 1.9743 0.3116 0.8983 0.2684 0.5278 4-acetamidobutanoate 1.0383 1.6442 0.8846 0.9142 1.0242 0.7158 0.7422 1.2801 0.5462 1.1228 0.8930 0.7685 0.6492 1.4137 0.7193 0.8323 0.5627 2.2190 1.0677 0.7573 0.6522 0.8638 1.4731 1.0879 0.8502 0.7742 0.8556 0.9908 1.2354 1.1305 0.6224 0.7821 0.5837 0.8379 1.3189 0.8469 1.3291 1.2928 1.2723 1.7386 0.9935 1.3679 0.8226 1.2810 0.9303 1.1368 1.5095 1.5178 0.9764 1.0062 1.0472 1.3068 0.9756 0.9341 0.9612 1.4368 0.7589 1.0964 0.7052 0.7545 1.1113 1.0798 0.9262 0.9938 1.7987 1.8200 1.0606 2.0288 2.1450 1.3025 4-acetamidophenol 1.7328 0.2395 0.2395 0.2395 0.2395 314.1413 0.2395 0.2395 0.2395 0.2395 0.2395 0.2395 3.2362 1.0000 0.2395 0.2395 0.4109 0.2395 0.2395 0.2395 0.2395 0.4386 17.1454 0.2395 0.2395 0.2395 4.3797 0.2395 0.2395 0.2395 0.2395 0.2395 0.2395 0.2395 0.4146 0.2395 0.5913 0.2395 0.2395 0.2395 0.4916 0.2395 0.2395 0.8627 0.2395 15.0964 0.9802 0.2395 0.2395 0.2395 0.2395 0.3936 0.2395 0.2395 0.2395 6.1046 6.8743 0.2395 0.5677 0.2395 0.6168 0.2395 0.2395 0.2395 0.2395 1.0914 0.2395 0.2395 1.3323 1.2600 4-acetamidophenylglucuronide 5.6596 2.8966 0.0782 0.0782 0.8546 2849.1069 0.0782 0.2651 0.0996 0.1817 1.7695 1.3694 89.2628 0.0782 0.0782 0.0782 0.0782 0.0782 0.2131 0.0782 0.9376 0.6258 162.0225 1.0980 0.6070 0.4315 133.4344 0.5651 0.1424 0.0782 2.4960 5.9325 0.7939 1.7762 0.4824 0.1249 0.1792 0.0782 0.0782 0.0782 1.8701 2.1854 0.0782 0.0782 2.1885 157.8199 0.0782 0.0782 0.0782 0.0968 0.0782 0.0782 0.9244 1.2127 1.9236 43.6682 29.0271 3.8218 0.7975 0.3046 0.0782 0.0782 0.2632 0.0782 0.8870 3.2628 0.5067 1.9235 1.0000 0.0782 4-acetaminophen sulfate 2.7065 2.3273 0.1115 0.0442 1.7951 3117.5945 0.4945 0.9662 0.1642 0.2535 1.4577 1.1687 21.0604 0.0442 0.2044 0.2215 0.1969 0.0442 0.6633 0.2652 1.5498 0.7287 151.9576 2.1896 1.1935 0.8910 118.4558 1.3043 0.3899 0.1577 3.6623 8.5793 1.7435 3.2841 0.9686 0.2295 0.4381 0.3477 0.1914 0.2187 4.9751 5.1619 0.7050 1.0314 6.7425 99.4118 0.2085 0.1927 0.8661 0.4729 0.3126 0.2500 3.3690 3.2528 6.9519 65.3731 49.8422 9.3369 2.0590 0.8808 0.7272 0.4195 1.3346 0.3687 1.0502 3.8280 0.9605 4.6460 1.4434 0.4871 4-acetylcatechol sulfate (1) 0.3873 1.0575 0.9899 0.4679 2.7624 0.5789 0.8712 1.1391 0.3827 0.6591 0.9894 0.3994 2.8272 0.5221 0.5589 0.9491 0.1010 0.4698 0.5751 0.6370 1.5471 1.3365 2.5908 0.6329 1.0101 0.8198 0.6138 0.7908 0.5085 1.1075 0.3522 0.7719 0.3339 0.1612 1.3392 1.1401 3.1440 2.5572 2.6259 1.8101 1.0325 1.3117 2.8332 1.4616 2.9388 1.2181 1.6557 1.3178 2.4871 1.9257 0.5698 0.6925 0.4811 0.4945 2.9193 1.2260 0.2650 1.8786 0.1171 1.2890 1.2775 1.5320 1.8281 2.3250 0.6249 2.0446 0.3551 0.3145 2.2379 0.6450 4-acetylcatechol sulfate (2) 0.4412 0.9660 1.2614 0.5168 2.8898 0.5528 1.6152 1.8697 0.4615 0.9375 0.6625 0.3016 6.0280 0.6615 0.5837 0.8202 0.1789 0.4665 0.7973 0.5871 1.4345 1.3118 2.1309 0.4270 0.9235 0.6585 0.6194 0.8563 0.5107 1.3131 0.4240 1.3207 0.4591 0.2026 1.7557 1.8096 2.8541 2.3886 4.9747 2.7372 1.2652 1.3694 2.3413 1.0749 1.8286 0.5509 2.3891 1.3809 2.8837 2.2161 0.5516 0.5209 0.5842 0.4789 1.7390 0.7799 0.1789 1.2342 0.2557 3.0890 1.0000 1.1709 1.8542 1.6559 0.5164 1.9075 0.3315 0.1983 4.1712 1.5688 4-acetylphenyl sulfate 0.1208 4.8033 0.2867 0.7149 3.5743 6.0015 0.6248 0.9175 0.2657 0.7878 0.3165 1.0825 0.5990 4.2836 1.4334 2.9071 0.1771 0.4159 0.5952 6.6363 0.5682 0.4547 2.1174 1.2415 0.3710 7.0923 0.5059 4.5403 1.3942 4.5170 0.2998 6.4151 0.7953 1.9626 1.6499 10.3154 0.5311 1.2693 1.7682 9.4042 0.6796 0.8060 0.4732 3.9999 0.1869 0.4981 6.9183 6.1585 0.2733 1.5769 2.7003 3.3591 0.9107 0.3656 1.4047 1.4242 0.2664 1.3566 1.1948 8.7935 0.5229 0.6473 0.6724 8.1426 0.2001 0.2806 2.0990 2.5906 0.5486 0.5023 4-allylphenol sulfate 1.1797 0.4286 1.9650 0.4233 1.4025 0.9321 11.2457 2.5500 2.0486 1.0695 4.0437 0.8714 0.6530 0.8812 3.8786 0.6021 0.6338 0.9655 0.8176 0.5765 1.5439 2.4905 0.2510 0.6857 0.7069 0.3539 1.4767 0.7528 1.4986 1.0095 0.3500 3.0911 0.2506 0.8444 4.7740 1.1555 10.3655 1.6970 0.7797 0.8120 0.8954 0.5893 2.5860 1.4381 0.8841 0.6739 3.6467 0.9905 0.0952 0.3938 3.0533 1.0853 1.0170 0.7109 3.4015 0.6047 2.2575 1.3148 1.9028 0.8668 0.6190 1.7738 17.4983 2.0537 1.4280 0.4414 6.5811 16.0606 0.9651 0.4835 4-ethylcatechol sulfate 0.2007 5.8206 0.1764 0.6244 1.8932 2.1108 0.4207 1.0031 0.1874 0.2547 1.0902 1.8629 1.9052 1.3029 2.3094 3.0552 0.0676 0.1245 0.6664 1.7859 0.1646 0.2264 0.5586 1.0177 5.0761 4.8787 0.4492 1.9776 0.4319 1.2231 0.3787 3.1110 0.6505 0.8442 0.9940 3.7930 2.0178 2.4308 0.7754 2.3805 3.6028 2.0138 0.8504 4.2322 0.9796 0.9969 1.1769 4.5811 1.2330 3.0751 0.9619 0.3624 0.5560 0.2953 2.7275 5.4085 0.3219 2.7014 0.3929 2.9495 2.0800 0.8822 0.8335 4.6924 0.8272 1.1832 0.5348 0.4172 0.5239 0.5482 4-ethylphenol glucuronide 0.0963 128.7969 0.0261 0.4104 11.1581 31.1382 0.0404 0.4353 0.0577 0.1942 9.4448 13.0914 0.8859 99.5023 31.0424 43.1735 0.0261 0.4557 0.4530 31.5663 0.2503 0.8233 0.2596 9.9246 0.8757 80.2356 0.1999 29.1094 10.3251 23.9634 0.0791 47.2770 0.8963 14.7403 0.1484 57.5664 0.0513 0.8164 2.6943 38.4555 1.1683 0.7197 0.1344 37.6552 0.2613 2.4705 22.4541 35.1610 0.6960 28.3214 7.5568 0.9717 2.7942 0.1480 19.6288 54.7064 1.0283 30.3176 2.3410 14.3959 0.1523 0.4238 0.1833 25.0490 0.1520 0.9560 0.0313 0.0563 0.0261 0.0535 4-ethylphenyl sulfate 0.0755 28.2768 0.0373 0.3693 10.0281 24.1629 0.0905 0.8350 0.0815 0.0818 1.6343 5.7254 0.1164 22.1803 5.9601 7.1073 0.0350 0.6455 0.2673 17.5468 0.1004 0.1770 0.1024 7.1009 0.3402 28.8137 0.1290 19.7533 3.5226 14.2225 0.0862 14.7842 0.6976 6.8581 0.1107 21.3206 0.0372 0.5794 3.0449 21.2642 1.3942 0.8474 0.2393 19.1006 0.3871 3.0827 4.6199 16.7559 0.2034 8.3974 3.1727 1.1526 1.8614 0.3196 5.4685 15.3528 0.4275 13.5331 3.7275 21.0288 0.1582 0.5653 0.3131 27.2666 0.6860 1.2555 0.1910 0.1495 0.0739 0.0483 4-guanidinobutanoate 1.0793 0.9553 0.4362 1.0951 1.8538 0.9293 1.1100 0.7832 0.3935 1.2090 1.1624 1.5180 0.6343 0.7515 1.5980 1.4633 0.5193 0.8408 0.3768 1.7441 0.8443 0.8017 0.6513 0.9984 0.7810 1.7866 0.7758 2.0651 0.6785 1.1386 1.6696 2.2868 0.5503 0.5525 1.3010 0.8508 1.4459 1.0016 2.5064 4.4298 1.1969 2.3022 0.7982 2.4064 0.7323 0.7470 3.1895 2.8918 0.7878 1.1541 0.9898 2.0571 0.7705 1.4981 0.8454 3.0926 0.6044 1.5705 0.7150 3.3700 0.9523 0.8699 0.8742 0.8312 1.2970 0.8556 0.6503 2.7973 3.9233 4.0789 4-hydroxybenzoate 0.4391 0.7534 0.6356 1.1854 0.7287 0.6956 0.4848 0.9651 0.4334 1.6576 0.3302 0.3240 0.4209 0.4738 0.5560 0.9598 0.6193 1.2656 0.6963 1.0191 1.4204 3.1036 0.5361 1.4284 0.8041 0.6414 1.0329 1.0704 1.7833 1.5251 0.8986 1.6576 1.0000 1.2100 0.6262 1.0250 1.5612 2.0501 1.9210 1.3085 0.7814 1.1938 0.3240 0.8517 0.6681 1.2331 0.5936 0.9081 0.6291 0.3682 0.7679 2.0564 1.9627 3.2565 1.5855 2.4470 0.5753 1.4539 0.6004 1.0894 1.8086 1.6593 1.0286 2.1492 3.0948 0.9641 0.4450 0.8181 1.5595 1.5165 4-hydroxycatechol sulfate 0.5265 0.3521 1.3327 0.9984 0.2848 0.2567 0.3254 1.9555 1.0291 1.2927 1.0149 0.5067 1.7552 0.9260 0.2784 0.6714 0.3964 2.5195 1.4970 0.4622 1.3050 1.0694 1.0016 2.4113 0.8516 0.0333 0.2519 0.2724 0.0903 0.4521 0.1290 0.6941 0.5951 0.1788 2.4674 1.1395 7.4791 2.1604 2.5977 1.6087 0.2553 0.4539 0.3423 1.3829 2.8282 1.7363 2.0362 1.1536 1.1559 2.9947 0.7179 3.5309 0.2147 0.1382 3.1564 1.1687 0.2015 2.1263 0.0803 1.6369 0.7643 2.1200 1.0521 2.4317 0.3055 0.5656 0.0712 0.0726 4.8230 2.1499 4-hydroxycinnamate sulfate 0.8147 0.5430 0.0423 3.3592 1.5909 0.6509 49.1587 3.1228 0.2451 1.5575 0.9022 0.6232 0.6482 0.0423 3.5189 1.0704 0.2835 1.0075 1.2968 0.8812 1.5789 2.7343 0.9914 0.9098 0.3257 0.2457 2.5044 0.8666 1.1173 0.8189 0.3597 2.8023 2.4024 0.8122 5.8626 1.1141 1.9062 3.9463 1.0000 1.0794 4.3737 1.4462 2.2338 4.3990 0.7321 0.8292 0.5632 1.3228 0.6213 0.9881 1.6226 1.4176 0.5037 0.3313 2.7416 3.5995 0.5720 0.8764 0.1934 0.7304 3.8392 3.9685 7.6758 2.3366 2.4975 0.7634 0.4723 0.8880 0.3746 0.3332 4-hydroxycoumarin 0.2291 0.8914 0.0562 0.0562 22.3962 1.4830 0.4632 0.5223 0.4538 0.0562 0.0562 0.1210 0.0562 0.4470 1.0341 0.2963 1.0396 0.0562 1.7435 2.6215 0.1464 0.0562 1.1426 1.4100 1.3558 5.5240 0.1606 4.7517 2.5527 9.8167 0.9527 0.9659 0.7889 0.0562 0.0562 0.0562 0.9211 0.5596 16.0697 11.8856 0.6350 0.4822 0.3101 13.2480 0.2810 1.1473 0.9135 0.5898 0.0562 2.3521 0.6171 1.7382 1.1653 4.6641 0.0562 0.0562 1.2616 2.5578 0.0562 1.9886 0.0562 0.0562 0.0562 2.1750 0.6950 0.9251 0.2291 1.4860 0.0562 0.0562 4-hydroxyglutamate 0.9772 2.3040 0.5538 0.7792 1.5472 0.9685 0.8945 1.2404 0.1686 1.3649 0.3821 0.5007 0.6523 0.7364 0.1226 0.4730 1.8425 1.6417 1.5573 0.9547 0.4492 1.0533 4.8719 1.5274 0.4961 0.7246 1.3949 0.9811 1.3719 0.7069 0.3476 0.7993 0.6414 0.1226 1.8325 1.5615 1.5574 1.0476 2.0878 1.2356 0.9195 0.8488 1.0189 0.5290 0.8603 1.0365 1.1604 0.9418 0.4956 0.9792 1.1843 1.0724 1.0837 1.0672 1.4940 0.8935 0.6328 1.3904 1.5229 1.0233 0.1226 0.8676 1.2498 1.0893 1.4257 1.4396 0.5431 0.7524 1.5173 0.8693 4-hydroxyhippurate 0.4845 1.1259 0.8599 2.2547 0.5128 0.5802 1.3080 1.0416 0.6499 3.0964 0.9559 0.7137 0.8441 0.8739 0.6777 1.4251 0.4638 2.6691 0.8789 1.0797 2.5362 4.9187 0.7470 1.4161 0.5398 0.4483 1.5821 1.6294 0.7091 0.7863 0.5756 0.9317 0.8062 0.8339 1.5737 1.2193 1.8762 2.9122 2.7093 1.8119 1.0793 1.9228 1.0064 0.7025 1.0883 2.3469 0.7572 1.0054 0.6498 0.8283 0.7077 2.8377 0.7725 0.9327 1.8298 3.9713 0.3856 1.3806 0.3387 0.9350 2.0797 1.3195 0.8843 0.9946 2.9570 1.1823 0.3304 0.8104 3.5307 2.9472 4-hydroxymandelate 1.3458 1.0583 0.3542 0.2227 1.0878 1.3312 0.3475 1.0388 0.5073 0.6050 0.5592 0.9570 0.8457 0.8520 1.2996 1.3353 0.5794 0.2212 0.9406 1.8340 0.6844 0.2212 0.5926 1.7289 1.2862 0.2391 1.6763 1.2105 1.4195 0.8260 0.5075 0.6123 0.6230 0.5370 1.4867 1.2273 1.0359 1.4520 1.2929 0.9988 1.1252 1.3191 0.8321 0.7724 0.7663 0.5659 1.5198 1.8010 0.9171 0.9791 0.5161 0.5946 2.7821 3.5951 1.1848 1.6822 0.2212 0.8534 1.0012 1.6361 1.3026 1.4629 0.9015 1.0267 1.8158 0.7004 0.6400 0.9698 1.8343 2.1483 4-hydroxyphenylacetate 0.2844 0.3893 1.0185 0.9907 0.9848 0.7732 0.6722 1.2193 0.5975 0.9822 1.4372 1.4449 1.0842 0.7298 1.0141 1.2204 0.4220 0.4859 1.0788 0.8237 0.6388 1.1880 1.6680 0.8454 0.8993 0.6164 1.9480 1.4192 1.1712 0.7729 0.5709 0.9936 0.8107 0.5615 1.2087 0.8564 1.8599 1.5862 3.9230 1.1220 1.2086 0.9877 3.8519 0.9598 0.9178 1.8907 0.8538 0.8232 0.7131 1.2023 0.7035 0.9315 1.5907 1.1390 1.5686 2.1150 0.7073 1.4889 0.6060 0.8572 1.8295 1.0612 1.1199 1.0064 1.2724 0.9468 1.1244 1.5499 1.6892 0.3907 4-hydroxyphenylacetatoylcarnitine 4.3978 4.6427 1.1700 0.9967 1.0939 0.4970 0.3198 0.6296 0.5056 0.3083 1.5242 2.4479 1.0446 0.6884 1.0033 0.8491 0.7474 0.6965 1.0809 0.4188 0.6565 0.5853 3.5796 0.6737 1.0194 0.3511 1.3456 0.6492 0.8162 0.3267 0.2415 0.4967 0.8180 0.4576 1.5817 0.5353 1.7037 2.0681 4.8675 1.4341 0.9919 1.7723 4.9981 1.3952 1.1088 2.3791 2.4159 1.5399 1.5988 1.1394 0.7901 0.7172 1.1372 0.9050 0.5714 0.9213 0.7323 1.2273 0.7760 0.4118 1.8083 0.7506 1.0625 0.3172 1.5868 1.1209 2.0171 2.8531 5.8452 0.7156 4-hydroxyphenylacetylglutamine 1.6181 2.1121 0.8931 1.1126 0.9631 0.7075 0.5997 0.9221 0.5746 0.9550 2.1369 1.9370 1.1056 0.7065 0.8184 1.0521 0.3440 0.5255 0.7797 0.6272 0.6327 0.8536 1.9488 0.6578 0.9347 0.5022 1.2975 1.0294 1.0198 0.6161 0.4323 0.7875 0.9722 0.7832 0.9861 0.7787 1.5559 1.5451 3.7018 1.3706 1.4621 1.8281 3.2196 1.1105 1.0743 2.2518 1.3250 1.3603 0.9715 1.0139 0.7376 0.7169 1.1883 0.9656 1.0627 1.6530 0.7029 1.1505 0.6985 0.8128 1.1024 0.7470 0.7213 1.0443 1.2569 1.1907 1.2889 1.9026 2.4018 0.7881 4-hydroxyphenylpyruvate 0.5385 0.5080 0.7917 0.5793 0.9957 1.7209 0.7626 1.2399 0.4602 1.0566 0.5446 0.7667 2.3892 1.0825 0.7499 1.2180 0.4123 0.7990 1.1657 0.0856 0.3168 0.5886 0.5243 1.9938 1.0187 0.1807 3.3803 2.0564 1.0564 0.5186 0.1711 0.6349 0.9704 1.0043 1.8739 1.9700 1.5047 2.3372 0.1496 0.6963 0.9412 0.6238 1.0325 0.9558 1.0501 1.5169 1.6502 0.9143 0.1417 0.2292 2.1160 3.5725 1.7113 2.1315 3.6503 1.7144 1.0439 1.8456 1.1519 0.3637 1.2792 0.9601 1.8395 2.6877 1.7756 0.9115 0.5441 0.0682 0.6228 1.1247 4'-hydroxypropiophenone sulfate 1.2469 0.3276 0.1395 0.7433 1.7045 0.5651 36.3175 1.6776 0.4576 0.7996 0.4276 0.6475 2.2021 0.1395 2.8219 0.6998 0.1395 0.1395 2.0071 0.8632 0.7564 0.9833 0.3353 0.5260 0.2128 0.1395 0.6030 0.3409 0.4670 0.4938 0.4043 2.1778 0.8153 0.4855 4.2855 1.1638 3.3639 1.6543 1.2483 1.6683 2.0165 2.8726 1.9340 1.4922 0.6239 0.5829 0.9403 1.0167 7.8723 1.5157 11.8940 0.9728 0.5477 0.6673 1.6614 1.1145 1.1275 2.5309 0.2731 2.0642 0.7652 1.4521 7.8069 2.1569 0.4905 0.4224 2.2622 1.4987 1.7344 0.5526 4-imidazoleacetate 1.8947 1.4833 0.6111 0.9880 0.3908 0.7553 0.7274 1.0021 0.5735 0.7905 0.3269 1.2054 1.0897 3.5829 1.7339 1.5835 1.4162 2.5161 0.5566 0.6969 0.4905 1.3926 1.1527 0.9829 0.8137 1.8941 0.7206 2.0981 0.3001 0.4287 0.7160 0.9979 0.7518 1.5647 0.3863 0.5890 1.7477 1.4051 0.3991 1.0146 0.6383 1.6437 0.4264 1.2592 0.8910 0.9937 5.1448 3.7850 1.5982 1.0947 1.5039 1.6070 0.8896 1.0507 0.4974 1.3531 0.4547 0.8869 0.9675 1.0603 1.9418 1.9185 0.8819 0.8700 1.0942 1.2955 0.6233 0.7778 4.7906 2.9097 4-methoxyphenol sulfate 0.2095 0.9406 0.2809 0.6254 1.3159 1.1866 0.3127 1.3617 0.8619 0.9394 0.5034 0.1297 4.0993 0.5406 1.1792 0.9530 0.1297 0.3893 2.3308 0.7363 0.8279 1.0093 0.8694 0.7215 0.8330 0.8184 0.5915 1.1466 0.8124 0.7278 0.6061 1.7808 0.9330 0.8147 3.4879 0.9833 0.4999 2.4870 4.3231 1.2552 6.1756 1.4566 1.6546 1.8354 0.1297 2.1235 1.7807 1.0000 0.1297 8.2428 1.3462 1.9234 0.8517 1.4449 3.6881 2.2375 0.4597 2.0147 0.2377 1.6030 0.4940 1.8834 2.4388 2.8559 0.9556 1.5538 0.7459 1.0550 2.3608 0.9311 4-methyl-2-oxopentanoate 0.1000 1.4389 1.0253 0.7881 1.0336 1.0893 1.0500 2.2839 0.6972 1.0112 0.6705 1.1655 0.4066 0.7173 0.3640 0.3643 0.3765 0.1000 0.1000 0.3265 0.5424 1.0575 0.5405 0.9565 0.9116 0.7765 1.4710 1.1969 1.3082 0.7067 0.5956 1.3315 0.7135 0.5589 1.8278 1.1990 1.0931 1.5297 0.7511 0.9613 1.3155 0.1000 1.5748 1.2214 1.2639 1.9727 0.5773 0.7551 0.9252 1.0280 0.9074 1.2346 0.7351 0.6202 0.7769 0.6366 1.0712 2.2761 0.6647 0.8200 1.3228 1.8168 1.3494 2.2027 0.9888 1.0497 1.2221 1.1464 0.1000 0.5270 4-methylcatechol sulfate 1.0884 1.7717 0.7497 0.8733 0.8895 0.5079 1.4564 0.8142 1.3427 2.4528 1.0702 0.9565 1.0720 0.3041 1.6600 1.2220 2.5271 1.5129 0.6128 0.4229 0.3055 0.6884 1.4417 0.4894 0.7775 0.8152 0.4780 0.6088 1.1199 0.6266 4.7656 1.6568 0.9753 0.5873 8.9913 0.9124 1.6648 1.1596 1.0204 0.6345 3.2489 3.0170 0.4790 1.0181 3.0572 0.9448 5.6141 0.7464 1.7503 1.1180 2.4645 0.8397 0.7811 0.5996 1.9502 1.3806 0.8123 0.7263 0.5461 0.7340 3.0998 0.9819 1.5827 1.2537 1.1170 1.5993 0.5774 0.8007 3.1037 0.9154 4-methylguaiacol sulfate 1.3527 2.2717 0.5523 0.8405 0.8668 0.3448 1.1918 0.8352 3.5003 3.0861 1.3526 1.2530 1.6099 0.1860 2.2813 1.6955 5.4088 2.4468 0.4454 0.4270 0.1708 0.3855 0.9208 0.3351 0.6982 0.6353 0.7313 0.5292 0.6984 0.8426 13.1245 2.9196 0.9029 0.6434 37.1787 1.5704 0.9710 1.0266 0.5787 0.2823 4.4011 3.3596 0.4407 1.0855 2.9126 0.9030 12.9685 0.5150 2.2107 1.0077 4.0667 0.6382 1.1841 0.7297 4.4830 2.0932 1.2863 1.0360 0.4076 0.9072 5.6714 0.9733 1.5427 0.7091 1.0409 2.0320 0.4756 0.3532 4.2310 0.9923 4-methylhexanoylglutamine 0.7669 3.6282 2.9341 2.3127 0.2303 2.2500 0.6109 6.8010 1.7455 1.7705 1.2794 4.2085 0.1066 0.5540 0.9512 0.4837 0.1204 0.7873 1.3490 0.4937 0.3779 1.1503 2.2516 2.2111 2.1128 0.7593 1.0143 0.9498 0.5590 0.4941 0.2750 0.2037 0.8345 0.9857 2.3033 0.9125 1.0981 2.2539 0.2469 0.3682 1.5440 1.7114 1.6032 2.4245 0.4197 1.1286 0.4791 0.5179 2.4180 0.8678 0.9436 1.0236 0.9100 0.5669 0.3531 1.9734 0.8901 1.3700 0.5281 0.5051 1.2160 2.9855 1.7839 2.9886 0.5109 1.0923 5.4336 3.3599 3.7546 0.7371 4-methylhexanoylglycine 1.1296 3.7308 2.4973 1.3419 0.9675 6.3726 0.5370 3.0450 2.1540 1.9808 2.4869 6.7935 0.1999 0.4163 0.5189 0.3213 0.5326 2.0605 0.7213 0.4999 0.4528 0.8382 0.9441 0.6901 1.2941 0.4934 0.5661 0.7497 0.8752 0.9250 0.6717 0.2705 1.1435 1.4418 3.7841 1.7268 0.9745 1.2052 0.2723 0.3427 2.8688 2.4120 1.2870 1.4886 1.2474 1.9215 0.7203 0.5965 1.4591 0.9254 0.5799 0.4093 0.6317 0.5800 0.3775 0.5443 1.7279 2.4637 0.8486 0.4584 1.4890 1.7096 1.3427 1.8978 0.6485 1.0857 6.3108 3.1727 2.1464 1.0255 4-octenedioate 0.6627 2.1434 4.3186 3.8800 0.5347 1.0814 0.4406 3.2060 0.9133 1.5278 1.1580 1.9012 0.5693 0.7670 0.9712 1.0011 0.3769 0.5430 0.8569 0.5833 0.5835 1.0950 1.0859 1.1756 0.6732 0.2416 0.9420 1.0002 1.3272 0.7136 0.4666 0.8450 0.6097 1.2391 2.9055 1.5049 1.7046 1.6516 0.5291 0.5016 0.7365 0.9998 0.9713 1.5520 0.7607 1.0156 0.4549 0.6469 3.0910 1.1537 0.6544 0.8093 1.1297 0.8198 1.0718 1.0777 0.6393 0.7160 0.5346 0.7239 1.5035 1.4374 1.3336 1.5848 1.0139 1.2094 1.2175 1.8643 1.8130 0.6078 4-ureidobutyrate 1.1009 1.4748 0.5294 0.7369 0.7030 0.6240 0.6410 0.5387 0.5184 0.9667 1.0493 0.6568 1.1636 1.9611 1.3776 1.4065 0.9913 1.4206 1.0346 1.4784 0.4819 1.0485 0.8768 0.9862 0.5749 1.0024 1.0240 1.7052 0.3770 0.7152 1.0654 0.9573 0.8275 1.0097 0.6976 1.3078 1.4345 1.1931 0.8540 1.2101 0.9976 1.4954 0.7075 1.0299 0.7769 0.7753 3.3732 2.5461 1.8645 1.1533 0.9963 0.9567 1.3739 0.8275 0.4446 0.8914 0.7051 0.9233 0.4435 0.8469 1.4045 1.1458 0.7764 1.0610 1.0627 1.0043 0.4864 1.1856 1.9531 1.9664 4-vinylguaiacol sulfate 0.1572 0.1572 0.4673 1.0074 0.6090 0.1572 0.9070 1.0825 0.2641 1.0195 0.2403 4.8978 32.0734 0.1572 0.5654 0.1572 0.1572 0.1572 1.9897 0.7579 0.7710 0.5390 0.1572 0.1572 1.0275 0.1572 14.3873 0.6584 0.3396 0.3380 0.3406 2.2262 2.7970 0.1572 179.7341 1.4200 1.9919 1.6833 6.2588 0.3566 20.7908 2.8975 0.9208 0.2112 0.6917 0.1712 0.8478 1.5914 0.4912 5.1005 1.1951 0.9926 0.2749 0.4987 1.0129 0.8760 0.2807 0.4063 0.7868 2.0266 48.1456 2.6295 11.9173 0.4768 74.4055 5.9334 2.7090 14.4596 2.8950 0.7457 4-vinylphenol sulfate 0.0464 1.6716 0.1225 2.5616 1.2412 2.4336 0.1383 3.5086 0.1019 0.8151 0.5188 0.6425 0.6386 0.8460 0.3686 1.0469 0.0575 0.8581 3.0971 1.8582 0.2519 1.0133 2.9302 2.2476 0.5626 1.0239 1.4898 1.3760 0.3912 1.4209 0.1623 1.8748 1.2058 0.9055 0.9075 1.7891 0.7848 1.9486 3.4852 4.5806 0.8744 2.5263 0.9867 2.5413 0.3976 1.0676 1.3620 1.1395 0.2057 1.5973 0.1581 1.0942 0.3914 0.9206 0.5584 3.4896 0.0798 0.7313 0.1931 1.8735 0.6614 1.0968 0.7599 1.7299 0.6541 0.6762 0.3311 2.6946 4.3417 1.1835 5-(galactosylhydroxy)-L-lysine 0.7899 1.4808 1.0203 1.0022 0.6937 0.8894 0.9171 1.6722 0.4881 0.9462 1.1911 0.8517 0.5796 1.0331 0.6918 0.9266 0.4829 1.1919 0.8823 0.6468 0.6728 0.8630 1.3725 1.1236 0.7612 0.6687 0.7121 0.9568 1.0727 0.5849 0.4051 0.5270 0.5181 0.5999 1.5147 0.7322 1.2230 1.4662 1.0151 1.0443 0.9585 1.3060 1.3633 1.4211 0.9978 1.0721 0.8880 1.2594 1.1918 1.0760 0.8821 1.0301 1.0118 0.7452 1.2526 1.8854 0.9639 1.1806 0.6724 0.7374 1.5145 1.6351 1.1680 1.5348 1.2482 1.5426 0.7296 1.3002 1.6067 0.9358 5,6-dihydrothymine 0.3966 0.7823 0.9513 0.8683 1.1602 0.9232 0.6322 1.0426 0.7279 0.9727 1.0122 1.2421 1.0840 0.8220 0.5683 0.6734 0.2509 0.5928 0.9534 0.9268 0.7175 0.6833 1.2395 1.7134 0.8694 0.4506 0.6103 0.7423 1.4318 1.4614 0.7797 0.9137 0.7107 0.6097 1.5382 1.0138 1.3729 1.2724 0.8696 1.0024 0.9486 1.3718 1.7829 1.7112 1.2435 1.1788 0.9260 1.1043 1.4742 1.5547 0.9507 1.2420 1.1470 0.9976 1.5474 1.4931 1.0357 1.4669 0.5555 0.8895 1.1727 1.7733 1.4117 2.1240 1.1159 1.1414 0.9425 0.9330 1.4816 0.8656 5,6-dihydrouracil 0.2871 0.9594 1.1277 0.8985 0.7383 0.7663 0.7233 1.1006 0.6257 0.8522 0.8307 0.7604 0.6597 0.4130 0.6922 0.7828 0.2871 0.2871 0.8367 0.9667 0.4904 0.8700 0.7544 1.2806 1.0368 0.6245 0.7135 1.4929 1.3005 1.3859 0.5713 1.0281 0.5074 0.6514 1.2773 0.9547 1.0308 1.6661 1.3289 1.2671 0.8070 1.0863 1.0931 1.7759 0.7267 1.5539 1.3208 1.1469 1.1673 0.7529 1.4050 1.6067 1.3783 0.9879 1.1206 1.9246 0.9341 2.0983 0.6850 0.9963 1.3293 1.3842 1.0835 1.4339 0.6165 1.0037 1.1176 0.8940 2.0330 1.4254 5,6-dihydrouridine 0.5727 1.3874 0.9441 0.9975 0.7465 0.9556 0.5618 1.5651 0.5547 1.0895 0.8497 0.8902 0.6486 1.0903 0.6020 1.0148 0.5153 1.3110 0.9257 0.8546 0.6133 0.8423 1.1232 1.3045 0.7288 0.7790 0.8936 1.2226 1.2502 1.1750 0.5395 0.9995 0.4907 0.7897 1.1467 0.9884 1.0643 1.4000 1.4533 2.2210 0.8584 1.9162 0.9305 2.5006 0.8257 1.0693 1.5328 1.7330 1.5004 1.0045 0.8240 1.2133 0.9537 0.9282 0.9462 2.0591 0.8265 1.2358 0.8721 1.0005 1.2366 1.1192 0.9954 1.2101 1.5194 1.5531 0.9194 1.4096 3.1950 2.1135 5-acetylamino-6-amino-3-methyluracil 2.1724 0.1940 0.5538 0.1906 3.0769 0.0172 0.8315 0.0775 0.0286 0.0172 2.4363 3.2005 1.3456 0.0401 3.3377 0.0172 1.1526 0.0172 0.1638 0.0172 1.0431 0.3965 7.9876 0.0172 5.5785 1.5939 1.7459 0.0172 0.0172 0.0771 1.1082 0.0172 0.0172 0.0172 4.0664 0.0172 1.2147 0.2909 0.1526 0.0172 3.1056 0.0172 2.3820 3.8857 1.0308 0.0172 3.4282 0.0172 3.1115 0.5342 4.5318 3.7955 0.9692 0.0172 0.8810 0.0172 0.5121 0.1131 0.2556 0.0172 0.2063 0.0717 0.4080 0.0172 0.1375 0.2320 0.9595 2.9520 7.3614 0.0172 5-acetylamino-6-formylamino-3-methyluracil 5.8576 0.3163 1.1876 0.2552 7.0129 0.0025 8.2457 0.3932 0.0792 0.0025 12.1753 10.3024 5.8563 0.1115 12.7403 0.0025 1.8769 0.0824 0.3563 0.0025 2.0407 0.3988 24.3476 0.0025 14.8658 1.0413 12.9921 0.0025 0.1028 0.1679 0.6325 0.0025 0.3607 0.0025 33.7363 0.0025 1.0664 0.1913 0.1149 0.0025 9.0417 0.0311 2.7211 3.8433 0.9587 0.0025 5.3441 0.0025 5.2387 0.7666 6.8252 4.5967 1.6848 0.0025 0.6899 0.0025 0.5698 0.0652 0.1642 0.0025 0.1818 0.0288 1.1209 0.0025 0.1534 0.2941 0.7761 2.1682 13.2508 0.0025 5alpha-androstan-3beta,17alpha-diol disulfate 0.1430 0.5534 1.0000 0.8768 0.7562 0.6256 0.2575 1.1414 0.1430 0.3026 4.3981 11.9305 0.2424 0.3876 1.5018 3.3009 0.1430 0.1430 0.7568 0.8455 2.2427 3.0759 0.5327 1.1151 0.2162 0.1430 0.4727 0.5391 0.9473 0.9189 2.6327 2.7656 2.0656 3.1107 0.6672 0.6111 1.2019 1.2273 0.8734 1.3371 2.4777 4.6921 2.3489 3.7253 0.6791 1.2917 2.8563 5.6437 0.3412 0.7504 0.2317 0.6567 0.7127 0.7217 5.3523 9.9144 1.3592 1.7814 0.9118 0.7503 1.2981 1.6149 2.3365 4.3932 2.7605 3.1988 0.6215 0.6027 0.1430 0.9048 5alpha-androstan-3beta,17beta-diol disulfate 0.2458 0.4980 1.6978 1.3547 0.6991 0.9307 0.8428 2.9783 0.2625 0.6381 3.4136 7.0074 0.9462 1.5749 1.6521 4.0516 0.1264 0.1264 0.6712 0.8583 0.8198 1.0194 0.1264 0.2111 0.3266 0.1264 0.8483 1.1246 0.9429 1.3913 0.6368 0.6143 0.1885 0.1928 0.9291 1.1971 1.6392 1.6744 1.2418 1.9673 1.5417 2.3907 2.7809 4.3581 0.5622 1.0000 0.7192 0.7349 0.3913 1.3798 0.3436 0.7764 0.5329 0.7639 3.8369 4.5767 0.4655 0.9146 2.2941 1.8272 0.9968 1.2975 1.6794 3.7085 0.8961 1.0155 5.7835 6.1630 1.0068 2.0104 5alpha-pregnan-3beta,20alpha-diol disulfate 0.2189 0.5550 0.3877 0.4743 9.6769 1.2212 0.5980 1.5957 0.2390 0.3724 1.8974 9.4590 0.5830 0.8054 0.8704 1.6536 0.2189 0.2189 0.5020 2.8789 0.6422 4.0056 0.2449 0.4722 0.6171 3.8212 1.4001 0.6563 0.7500 7.1241 4.0820 8.3950 0.8260 0.4653 1.0936 0.5888 0.9516 1.2252 1.4567 2.1287 0.7907 2.9571 2.4150 10.4586 0.7690 0.4992 0.9348 1.3357 0.6269 0.8222 4.0991 1.0484 0.5623 0.8404 5.2813 2.6009 0.4465 0.8010 0.5863 8.3141 1.3875 7.8231 12.4608 4.8246 2.8122 2.9823 1.3919 1.6386 0.8767 0.5540 5alpha-pregnan-diol disulfate 0.1040 0.1040 0.2869 0.3152 3.1296 0.2625 0.1339 0.9799 0.4611 0.7020 2.4343 16.2178 0.1946 0.3180 0.3433 0.8536 0.1040 0.1040 0.1464 1.9481 0.4376 3.1144 0.1040 0.1040 0.7565 3.4233 0.4454 0.1040 1.0214 8.1154 2.8223 5.0443 0.1040 0.1040 0.3854 0.2320 0.8150 1.4747 1.2104 1.5910 0.4954 2.1365 1.2733 9.2551 0.3471 0.4257 1.5908 0.8569 0.9036 1.2798 2.5862 0.7513 0.2582 0.6708 1.3245 0.8778 0.3103 1.0201 0.4555 7.7871 1.2262 9.0964 8.4212 2.9987 1.6681 2.9071 1.3969 1.1725 1.1180 0.6233 5-aminovalerate 1.7057 2.1288 1.4200 0.7818 0.7147 0.5361 0.5050 1.7658 0.4639 0.1514 1.4810 0.5152 0.4514 0.5690 1.4212 1.0235 0.7093 2.0124 1.9227 1.1878 0.4433 0.5111 1.4991 0.7959 1.2068 17.6904 1.5926 7.7649 0.7280 1.0602 1.0345 1.2842 1.4059 2.2783 1.0797 0.9054 0.2084 0.1514 0.1514 0.1514 0.9258 0.9765 0.1890 2.3343 0.7960 0.8444 0.1514 0.1514 0.1514 0.9244 1.1222 1.2482 3.8169 1.9259 1.2442 1.5651 0.1514 0.6245 1.8088 0.8213 0.4742 0.1514 0.7016 0.8604 0.3186 0.6592 0.1514 0.1514 0.1514 0.1514 5-dodecenoylcarnitine (C12:1) 1.2051 2.4935 2.0493 1.2395 0.6488 1.3415 0.4814 2.2112 0.8561 0.7833 1.0404 2.6382 1.0181 2.5333 0.7348 0.9065 0.7559 1.4991 1.0273 0.5488 0.4682 0.7751 3.1712 2.8421 1.4648 0.9651 0.8502 1.0679 1.0766 0.8694 0.3993 0.6087 0.4568 0.6252 1.0352 0.4381 1.3850 1.5284 0.4405 0.9542 0.7425 1.2218 0.8827 0.8549 0.8198 1.9994 1.3361 0.7405 0.8067 0.6785 0.7595 2.2007 0.4368 0.9819 0.8742 1.3934 2.7719 1.9121 1.0597 0.6264 0.7579 1.2751 0.8859 1.3977 0.3469 1.0418 2.2877 2.5241 1.4534 1.2980 5-hydroxyhexanoate 0.2878 0.6529 0.9841 0.7284 2.7706 2.0204 0.7273 1.5056 0.3369 0.7639 2.7337 2.2589 1.7932 0.6258 0.5896 0.8137 0.2048 0.3363 0.9801 1.5246 0.5342 0.6065 1.7149 2.5443 0.7754 0.3922 0.7514 2.4416 0.8121 0.6172 1.3496 2.1635 1.1636 1.6095 1.3887 0.7543 0.9625 0.9378 0.5860 0.8899 1.2008 1.0159 1.7212 1.6368 1.2434 1.3963 1.0626 1.1283 0.9226 0.5190 1.3521 0.8113 1.2217 2.7273 1.5617 1.4240 0.8035 0.8277 0.7232 0.8650 1.5354 1.5446 0.8492 1.5574 1.6693 1.3945 1.7470 3.8602 0.2294 0.4106 5-hydroxyindole sulfate 0.6103 1.3534 0.9704 1.0286 0.7089 0.8362 0.6749 2.1531 0.8294 0.3516 1.1091 1.6365 0.2445 0.1999 0.9714 0.8464 0.5226 0.2610 1.9756 0.8486 0.2879 0.7443 0.9604 0.7371 1.8737 1.6835 2.3586 2.0242 2.4009 1.1019 2.0168 2.3029 0.7492 0.6153 1.3481 1.6147 1.5003 1.9075 1.2297 1.5316 1.2730 1.2072 1.7980 1.8075 0.5610 0.9457 0.6768 0.7189 0.3710 0.8335 1.2441 0.9388 1.9461 1.8691 1.3657 0.9168 1.1161 1.1277 0.9480 1.7613 2.4975 1.9179 1.1393 3.5239 0.4042 0.6542 0.9381 0.9396 0.2566 0.4480 5-hydroxyindoleacetate 0.5184 0.8510 0.9698 0.9855 0.9912 0.7678 0.5588 1.1741 0.7267 1.2586 1.0467 1.1478 0.6898 0.8306 0.7730 1.1290 0.3251 0.7720 0.6474 0.6108 0.8799 0.7433 0.8446 0.8752 0.9043 0.5411 1.0088 0.8266 1.0204 0.9294 0.6097 0.9445 0.5602 0.5961 1.1926 0.7027 1.6557 1.6485 1.0990 1.3577 1.0464 0.9666 1.1938 1.3510 1.0130 1.1121 1.5299 1.4515 1.1721 1.3802 0.7584 0.9629 1.1074 1.0830 0.7889 1.0764 0.9117 1.3501 0.8548 1.1122 1.5408 1.5679 1.3977 1.5873 1.3378 1.4764 0.9332 1.6672 1.8576 1.2739 5-hydroxylysine 1.8286 2.5120 3.5251 2.6031 1.2332 0.5312 2.1350 2.6848 0.5264 0.5836 1.9129 1.5956 0.7063 0.8063 0.9011 0.5038 1.3220 3.4365 0.5684 0.5871 0.5630 0.5370 1.1955 1.9980 0.5990 0.8072 1.4169 1.4236 2.2463 1.3083 0.3981 0.5887 0.8361 0.6767 1.2232 0.6780 1.8528 2.1771 0.6643 0.4284 0.7054 0.9311 1.9799 1.8952 1.0239 1.5326 1.4299 1.1706 0.3801 0.4233 0.8930 1.1368 1.2231 0.8617 0.9128 0.6478 1.8196 2.0427 0.4481 0.2757 2.1200 2.2252 1.0765 0.7293 0.7308 0.7699 0.9761 0.8775 3.5489 2.1283 5-hydroxymethyl-2-furoic acid 0.0830 0.0830 0.5542 0.7578 5.1477 0.0830 0.8696 1.1080 0.0830 0.4544 0.4678 2.0213 16.0097 0.1930 0.9315 1.0510 0.0830 0.0830 0.5728 0.5383 1.6767 1.2903 0.9851 0.2808 1.1034 0.0830 0.5575 0.2203 2.1542 1.2329 0.3879 2.3354 0.4290 0.0830 64.6220 0.3137 11.7308 1.0118 1.3858 0.0830 3.6119 1.4364 1.1543 0.6441 0.2789 0.2498 1.9815 0.0830 0.9044 1.2062 5.4384 1.1089 0.9428 2.3545 2.4877 1.4979 0.6757 1.6710 0.3997 0.6057 12.3986 0.5391 0.8071 0.2752 14.3057 0.9683 1.2253 2.3352 0.9882 0.0830 5-hydroxymethyl-2-furoylcarnitine* 1.3297 0.3070 0.5895 1.1659 2.4699 0.2622 0.5653 1.1551 0.0825 0.4917 0.1621 0.5395 6.1313 3.2733 1.6022 1.4098 0.2234 0.0825 1.4753 0.2821 2.5713 0.5852 3.8733 0.9248 1.6014 0.0825 0.2695 0.5349 1.3997 0.8763 0.6764 0.8990 0.7509 0.1228 7.6602 0.1781 19.2207 0.7083 1.1611 0.3318 1.2266 0.5014 1.1133 2.4006 0.6976 0.3211 5.4987 0.6315 5.9170 1.3751 6.7920 1.6514 0.5819 0.7580 1.7475 2.3536 0.2070 0.1365 0.4183 0.0825 6.2824 0.1654 1.0000 0.0871 5.6776 2.3209 1.7933 3.7186 11.4903 2.1445 5-methylthioadenosine (MTA) 0.7128 1.2864 0.4031 0.5121 4.9895 0.5514 0.9329 1.0001 0.3061 0.8477 0.9296 0.6839 0.4967 1.6794 0.9158 0.9017 2.8793 1.6468 0.6567 3.2159 0.5538 0.5754 1.1933 1.4401 0.7611 4.0882 0.6798 5.6327 0.9025 5.7934 3.6780 1.8332 0.5523 0.9882 0.6241 0.3572 1.1256 0.9999 6.0906 9.2719 0.6244 2.5037 0.3430 2.2286 0.5125 0.5682 2.4599 2.4419 1.3568 0.8968 0.7085 3.0733 0.6103 3.8172 0.5735 2.5013 0.7366 1.2727 1.0918 3.4078 1.0334 1.1367 0.6033 0.4398 1.6100 1.2905 0.7454 8.0594 2.0683 7.8459 5-methylthioribose 0.7717 1.4656 0.8092 0.7742 0.6997 0.7141 0.6379 1.1914 0.4857 1.1709 1.1150 1.0988 0.5902 1.0982 0.6844 0.7942 0.9520 1.6434 0.8031 0.5883 0.8302 0.8500 1.3558 1.0103 0.8547 0.9562 0.9024 1.2459 1.1957 1.1407 0.5273 0.8572 0.6092 1.0003 1.4832 0.9612 1.3743 1.4070 0.8084 1.1207 0.9069 1.1031 0.9814 1.4741 0.6518 0.7535 0.9135 1.1581 1.0584 1.0215 0.6821 0.9878 1.0757 0.9997 1.1235 1.5144 0.9482 1.3477 0.6062 0.9619 1.1478 1.1390 1.1003 1.2978 1.1378 1.4013 0.7715 1.2788 1.6726 1.0907 5-methyluridine (ribothymidine) 0.3095 1.3280 1.6067 0.9098 0.8992 0.3095 0.6377 1.2921 0.3990 1.0260 0.3095 0.6289 0.3565 0.7707 0.6189 0.5983 0.3095 0.3095 0.3443 0.5883 0.8429 0.8483 0.3095 1.0000 1.3294 0.9548 0.8638 1.0474 1.1819 1.1588 1.0218 0.9968 0.4635 0.3095 1.3641 1.1335 1.0279 1.0454 1.1793 1.3614 1.0239 0.8598 1.0268 0.3095 1.2496 1.2869 1.5093 0.8376 0.3095 0.4384 1.3510 1.5592 0.9884 0.7642 0.8111 0.3095 1.4546 1.3920 0.9733 1.3390 2.3554 2.0385 0.7464 1.1206 0.8474 0.6504 0.5607 0.9151 1.5639 1.3393 5-oxoproline 0.7184 1.0737 0.7427 0.7542 1.0040 0.9008 0.5814 1.4634 0.5755 1.0200 1.1272 1.2952 0.6453 1.1412 0.6143 0.8332 0.4440 1.1532 0.6746 0.6532 0.6107 0.7988 1.2053 1.0248 0.8127 0.8092 0.9110 0.9960 1.1136 1.0498 0.5065 0.7647 0.5526 0.8216 1.1343 0.7153 1.3267 1.5181 0.8633 1.4559 0.8618 1.5109 1.3727 1.8365 0.6659 0.7401 1.3059 1.5567 1.6187 1.2395 0.5912 0.8121 0.9228 0.7597 1.1796 1.7663 1.2412 1.2039 0.5544 0.8067 1.2631 1.1979 0.8808 1.0791 1.2716 1.7401 0.8695 1.4399 2.5055 1.2719 6-bromotryptophan 0.1876 0.1876 1.7025 1.4487 0.7032 0.8568 0.9338 2.2947 1.2716 1.0640 0.7304 1.1113 0.6559 0.4602 0.6928 0.8208 0.1876 0.1876 0.8302 0.6364 0.7902 0.6535 1.3265 1.7008 1.9423 0.6105 0.7666 0.3045 0.6931 0.4194 0.2938 0.4304 0.1876 0.1876 2.6316 1.3122 1.6068 2.2593 1.3557 1.0000 1.6811 1.7160 2.4079 2.0390 0.9612 1.1670 1.4129 1.2752 0.5372 1.1517 1.2417 1.6111 0.7496 1.1436 1.7481 0.9366 0.7878 1.1903 0.4292 0.5794 0.7861 1.0426 0.8672 0.7430 0.1876 0.1876 1.1930 0.9777 1.2648 1.3221 6-hydroxyindole sulfate 0.9375 1.5396 1.2542 1.1345 0.2913 0.5425 0.5508 1.3524 0.5688 0.3952 1.5200 0.9644 0.6683 0.5782 1.3046 1.2401 0.7061 0.5957 0.9388 0.7040 0.5408 1.0209 0.9777 0.5114 2.2519 1.1827 2.1652 1.5334 1.2632 0.4587 1.2987 1.5365 0.7048 0.6425 1.1839 1.2267 0.9400 1.0545 0.5583 1.7831 1.1387 1.0377 1.1087 1.3225 0.8714 1.2599 0.8964 1.0176 0.8119 0.9035 0.6993 0.7229 1.2878 1.7880 1.6358 2.1030 0.7632 0.6758 1.0206 0.9824 1.8574 1.3011 0.5099 1.6627 0.7327 0.9189 1.3659 1.2562 0.6498 0.6659 6-oxopiperidine-2-carboxylate 0.8075 2.1804 0.6445 0.4107 0.8894 0.7000 1.0501 0.9530 1.2715 0.9884 0.5090 0.7062 0.9945 1.2181 0.4835 0.2806 0.7949 1.4486 0.6930 0.4101 0.6977 0.4352 0.4677 0.5929 2.3428 2.0540 2.9341 1.7060 0.6153 0.2807 1.1228 1.7024 2.1382 1.3651 2.0429 2.1260 1.4918 1.3136 1.9907 1.2907 0.5930 1.0574 1.3533 1.3990 0.2806 0.9056 0.9932 0.8919 1.6969 0.6830 1.0530 1.0568 0.9695 0.7007 1.2827 1.3510 2.6069 2.5168 0.2806 1.1287 2.0060 1.5796 2.3557 1.0055 0.8549 0.5561 0.5700 0.6694 0.8069 0.6420 6'-sialyllactose 0.2720 0.5441 3.5743 3.4923 3.3888 3.9475 2.4829 0.5671 0.2720 1.0827 3.3442 10.3995 0.6539 0.2720 0.5275 0.8685 0.2720 0.2720 0.2720 0.5662 1.6889 0.4593 0.2720 0.3789 3.2788 0.2720 1.4765 0.4598 0.2720 0.2720 0.2720 0.4290 0.3226 0.2720 0.5307 0.4164 1.4537 1.9641 0.2720 0.2720 1.5662 1.8639 0.6463 1.6441 0.6853 0.4120 0.2720 1.2056 0.2720 1.1195 0.7609 1.1096 0.2720 0.2720 1.2067 4.4082 0.4892 1.0000 0.2720 0.5887 0.8377 0.6998 0.7726 0.4176 1.3232 1.8967 0.2720 1.2512 0.2720 0.2720 6-sialyl-N-acetyllactosamine 0.1349 0.7484 3.8414 2.7365 1.0998 1.0534 1.7201 1.3595 0.4698 0.1349 3.3693 9.0149 0.1349 0.1349 0.7730 0.6686 0.1349 0.1349 0.6425 0.1349 1.7069 0.7417 1.4046 0.9422 3.4579 0.1349 0.9407 0.5219 0.6527 0.4384 0.1349 0.5362 0.1349 0.1349 0.6880 0.3032 2.1076 1.7629 0.1349 0.1349 1.2969 1.6400 0.8410 1.8784 0.3000 0.2741 0.1349 1.7859 2.4622 1.7561 0.4472 0.4203 0.9348 0.5108 1.4932 2.3109 0.7622 1.0171 0.6593 0.5943 0.1349 0.7671 1.0962 0.7330 1.0000 1.8698 1.2692 1.3405 1.4118 0.1349 7,8-dihydroneopterin 0.0678 0.0678 2.1330 2.5701 0.5083 1.3948 1.0944 0.0678 1.5600 2.4818 0.6088 0.5232 1.0000 0.0678 0.6473 0.0678 0.0678 0.0678 0.7796 0.2023 1.7913 2.5419 0.0678 0.0678 0.5287 0.0678 1.8113 0.1798 1.3114 1.0096 0.0953 0.1768 0.6907 0.9281 0.3710 0.1610 2.2914 0.8949 0.3726 0.3066 1.1222 0.5753 0.3395 0.0678 0.2230 0.7903 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.7046 1.1255 3.2123 4.3639 1.6788 1.2581 1.2284 0.0775 1.5378 3.0098 3.0146 1.1558 0.8986 1.1174 2.3621 1.1436 0.0678 0.3304 7-hydroxyindole sulfate 0.3440 0.9151 1.0089 1.6499 0.4255 0.2412 3.0090 1.2635 0.2897 0.2501 0.6815 0.2819 0.2116 0.2473 0.5651 0.9869 0.2130 0.3250 2.3157 1.6680 0.5928 1.2408 0.5352 0.4513 1.6614 1.9582 1.3111 1.4385 1.2991 0.6739 1.2861 1.8517 1.0379 1.0190 1.8696 2.6050 0.8440 0.7560 1.1167 3.3163 0.8158 1.2288 1.5000 3.2571 1.2575 0.9574 0.9911 0.4381 0.9357 0.2714 0.9104 0.8510 4.2536 4.5783 1.5244 1.4443 0.7279 0.4334 2.3821 3.5644 4.8035 2.3864 1.7848 3.1906 0.6680 0.5849 0.7170 2.6344 0.5002 0.8914 7-ketodeoxycholate 1.0000 0.1621 0.1621 0.5705 1.2412 0.1621 0.2703 0.1621 0.6902 0.1621 0.1621 0.1621 0.1621 0.1621 0.2812 0.6428 0.1621 0.1621 0.1621 0.1621 2.8178 7.4748 0.1621 0.1621 1.5914 0.1621 0.2682 0.1621 0.1621 0.1621 0.1621 0.3497 27.3621 5.9837 0.1621 0.1621 0.1621 0.3926 0.1621 0.1621 15.5088 4.7630 11.6214 15.2366 0.2834 1.7493 4.3552 0.5084 0.1621 0.9501 0.3481 0.8445 46.1301 6.4363 0.8556 6.1278 0.3617 1.0339 0.1621 0.1621 0.1621 0.1698 0.7733 0.1621 1.8978 1.7805 0.1621 0.1621 0.1621 0.1621 7-methylguanine 0.7124 0.9195 0.3690 0.7909 1.1257 0.7243 0.7635 1.2940 0.4490 0.9943 1.2381 0.5731 0.6903 1.2860 0.8157 1.1113 0.4642 1.3559 0.8410 0.6842 0.8394 0.8511 1.3330 1.1735 1.1012 0.7847 0.8511 0.9081 0.8271 1.0263 0.6314 0.6292 0.5092 0.4037 0.7760 0.2055 1.2181 1.4705 1.0328 1.4274 0.9945 1.4098 0.4077 1.9666 0.5282 0.5399 1.2747 1.5517 1.1564 1.3402 1.0036 1.2333 0.9966 1.0877 0.8159 1.3750 1.0618 1.7561 0.7875 0.8975 1.0821 1.2706 1.0155 0.4792 1.8538 1.6989 1.0034 2.3304 2.5733 1.6850 7-methylguanosine 0.9413 4.9165 0.3712 0.6417 0.3712 0.3712 1.0378 0.3712 0.7020 1.2885 0.6802 1.3863 0.3745 1.3006 1.9484 1.2879 1.0292 2.2205 1.7352 0.3861 0.9708 1.0586 1.9986 0.3712 0.4387 0.3712 0.3712 0.3712 0.6409 0.3753 0.3712 0.3712 0.3712 0.3712 2.0734 0.4146 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.8812 0.3712 1.4763 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 0.3712 3.6971 0.8656 0.8058 0.3712 0.3712 0.3712 7-methylurate 7.0626 0.0492 1.1616 0.2313 13.3104 0.1329 0.1211 0.1911 0.3397 0.1939 5.6009 0.9800 0.7541 0.3581 3.9881 0.1646 1.5925 0.0492 2.2978 0.2548 4.0208 6.0887 34.1651 0.4950 2.2415 0.6753 0.5772 0.0492 0.3745 0.7823 1.8733 0.1952 0.5850 0.0492 2.5149 0.1750 4.8392 0.1921 1.1013 0.0492 1.7714 0.1633 2.3828 2.3785 8.5171 0.0492 10.5210 0.0492 11.9194 0.7273 0.8959 0.8279 1.1793 0.2421 3.2535 0.0492 1.3603 0.0492 0.0492 0.0492 3.0003 0.5962 3.1601 0.0492 1.0075 5.9618 0.2331 0.9925 3.2422 0.0492 7-methylxanthine 5.0706 0.1065 2.1504 0.1709 14.2233 0.0267 0.3099 0.0405 0.6711 0.1072 6.2318 1.2447 0.8022 0.1069 3.8679 0.0692 1.0000 0.0842 1.6657 0.0297 3.8117 4.5954 19.1444 0.0376 3.5218 0.6264 0.7081 0.0128 0.2690 0.8930 3.5310 0.0128 0.6166 0.0128 3.6718 0.0128 7.0273 0.2637 1.5563 0.0246 2.0661 0.0651 3.9543 2.6327 11.9500 0.0237 9.5033 0.0128 11.8912 0.8991 1.5070 1.3068 1.6822 0.3742 4.1213 0.0128 2.8068 0.1223 0.1452 0.0144 5.0322 0.9864 5.5700 0.0128 0.8127 3.4091 0.8413 2.8522 2.6015 0.0128 8-methoxykynurenate 0.7610 0.5169 0.5464 0.5522 2.5584 1.4390 0.8769 0.4485 1.9737 1.7390 1.1275 1.4330 3.7596 2.4744 1.4484 0.9374 0.2376 0.3608 0.3539 0.5873 0.8602 0.7800 0.8338 0.8758 0.6383 0.3171 1.4275 0.8077 0.4647 0.4107 1.2903 0.8495 1.0326 0.5932 1.6416 1.0710 0.1882 0.1489 0.5670 0.6283 1.9870 1.6602 1.9640 1.9814 1.9431 1.2639 3.7905 3.8673 3.5439 2.8845 0.4245 0.3916 0.9674 0.6913 1.6726 2.1174 1.6367 1.9221 0.5940 1.1051 1.3345 1.1248 0.7522 0.5547 2.8018 1.5140 0.5670 0.9618 3.2094 2.9549 abscisate 0.2566 0.3590 0.5788 1.1139 2.2041 1.0275 0.7276 1.0249 0.4750 1.0854 1.4719 0.7804 7.5756 0.2446 0.7295 0.9464 0.2446 0.2446 0.8947 0.6565 0.5223 0.4977 0.3972 0.4693 2.0506 0.2446 1.2062 1.0333 1.1055 0.4513 1.0008 1.9199 2.2732 0.3618 3.2839 1.2725 1.4233 0.8076 0.2446 0.5159 1.9559 1.1342 2.6106 0.7884 1.0000 0.5739 0.2446 0.3964 0.4342 1.5320 0.6526 1.0801 1.5368 1.7691 1.7341 1.3989 0.9356 0.7955 0.4301 0.7747 0.2446 3.2152 0.8656 1.0727 3.4637 1.8547 0.8863 1.1568 0.5141 0.2446 acesulfame 0.0379 0.1685 5.3714 2.8697 2.3750 0.0032 0.0009 0.4500 0.0009 0.0009 4.9734 0.0009 1.1230 0.0009 0.1911 0.0009 1.5257 2.8851 0.0009 0.9440 0.1373 78.2615 3.4630 6.9129 0.0009 0.0009 0.0009 0.0009 0.0009 0.0009 0.0009 0.6794 0.0180 0.0165 0.0009 0.0009 0.0304 0.0009 0.0009 0.0009 0.0009 0.0009 0.0009 0.0009 0.0255 0.0009 0.0102 9.3106 0.0009 1.1235 0.0569 4.0888 0.1284 0.0037 1.5236 0.6069 1.2181 4.2274 0.0009 0.0009 1.0000 0.0009 2.1524 0.0009 9.4722 0.0119 3.8950 230.5948 0.0036 0.0009 acetylcarnitine (C2) 1.8134 5.4158 8.2415 2.1416 1.2630 0.5111 0.1018 1.1795 2.6316 0.1705 0.1116 2.3686 0.5168 0.2711 2.1849 0.3242 2.5350 0.9965 4.8733 0.4428 0.1922 0.1760 6.9870 2.6005 1.1372 0.5213 0.5837 0.2635 2.0531 0.1133 0.4067 0.5394 0.8371 0.8343 2.0382 0.1905 0.2755 2.0097 0.4387 0.2326 0.1515 0.2797 1.1993 1.0035 1.0889 3.2075 4.7266 1.2397 8.2180 0.2961 1.6798 0.5109 0.3764 1.5419 0.1327 0.1766 0.5617 0.3882 2.3786 0.1115 3.0797 3.3593 2.1146 0.3810 2.0246 3.6185 4.1573 1.0732 26.6535 0.9157 acisoga 0.2316 0.7151 1.0795 0.7399 0.5788 1.2526 0.4320 1.5452 0.5274 1.0741 1.0028 1.2920 0.2187 0.5119 0.3913 1.1202 0.4640 1.5036 0.8019 0.8858 0.3653 1.0211 0.9685 2.1147 0.3867 0.6102 0.7697 0.8435 0.7141 1.0386 0.6454 1.1468 0.3360 0.4368 0.8041 1.3776 1.5010 1.8624 1.3324 1.3131 1.6943 2.0584 1.7798 1.9446 1.2545 1.4744 0.6145 1.1944 0.6951 0.9211 0.5786 1.3187 0.9338 0.6849 1.7104 1.5805 0.7238 1.8081 1.0763 2.1116 0.9972 1.2115 1.2012 2.5657 0.4425 0.9645 0.5610 0.5881 1.6814 1.7628 adenine 0.8694 1.2881 0.3566 0.5029 1.2734 0.3005 0.5711 0.7239 0.4827 0.8351 0.5612 0.2672 0.3150 1.5475 1.0674 0.7946 4.2142 8.7335 0.8216 4.2877 0.9178 1.6533 2.6777 1.1954 0.6635 9.0110 0.7073 6.3897 0.6976 1.9755 3.6909 0.7610 0.4234 1.7120 0.8021 0.4044 0.3636 1.1514 3.2598 4.3328 0.8712 3.8931 0.5000 2.3682 0.3458 0.3372 1.6364 1.3950 1.0477 0.8214 2.1690 1.7844 0.9039 2.3448 0.5560 1.2545 1.0913 0.6406 0.9418 2.3145 1.4249 0.9523 0.6534 0.2090 2.1588 1.5948 0.5060 4.5024 3.6999 4.2134 adenosine 1.2497 1.0298 0.3432 0.4020 0.9796 0.9387 1.0493 1.3712 0.6699 1.2216 0.8685 0.8137 0.3875 1.0125 0.6549 0.7892 0.8914 2.5963 0.8731 0.3001 1.2127 1.1747 1.4587 0.9999 1.5443 0.5994 1.0206 0.8762 1.2124 1.1937 0.6368 0.6045 0.8718 0.8365 2.2452 1.0001 0.8315 1.0652 1.4403 1.8737 0.9410 1.5060 0.6817 1.4818 0.8261 1.0627 1.5037 1.3212 0.6210 0.7119 0.9324 1.4005 0.8135 0.9077 0.7467 1.4087 1.1259 1.6653 1.2980 1.1895 1.5233 1.7694 1.2100 0.6275 0.5975 0.7127 0.4825 0.6164 3.3260 2.0111 adenosine 3',5'-cyclic monophosphate (cAMP) 0.7704 1.5401 1.1933 1.0381 0.9784 0.8989 0.8038 1.6765 0.6989 1.3311 0.9823 1.0843 0.6892 1.0922 0.6295 0.9772 0.3849 0.9728 0.6559 0.6869 0.5683 0.6818 0.9893 0.9567 0.8402 0.5030 0.9788 0.8395 1.1989 1.0017 0.5780 0.7275 0.5213 0.5416 1.3176 0.7510 1.0755 1.6287 0.9392 0.9983 1.2817 1.6960 1.3093 1.3879 0.9546 1.0719 0.7597 1.2013 1.4810 1.3515 0.9509 1.4320 0.6628 0.6436 1.0212 1.4891 0.8108 1.2264 0.8199 1.1335 1.3880 1.4753 1.1283 1.3528 1.3023 1.3134 1.1169 1.6690 1.3750 1.0491 adipate 0.4367 2.2703 3.8231 2.8810 2.3136 1.6055 0.5832 1.6404 0.4704 1.0704 0.7410 2.3573 0.5232 0.6464 0.7432 0.8219 0.3131 0.4341 0.6646 0.7052 0.9793 0.8430 1.0051 1.2494 0.8936 0.5011 0.6371 0.8104 1.2474 0.5812 0.5503 0.9897 0.8344 1.0053 3.1462 1.3347 0.9949 1.1628 1.0784 0.7376 2.1170 1.5492 0.9751 1.5297 0.7851 1.3466 0.5615 0.6003 1.8174 0.7107 1.2083 1.2721 1.1527 1.1889 1.2344 1.1568 0.3217 0.5043 0.5407 0.7603 1.4515 1.8413 1.8207 1.2952 1.9175 0.8273 1.7117 1.2452 1.1611 0.4632 adipoylcarnitine (C6-DC) 0.6450 2.8894 1.5456 2.2232 0.7452 0.8525 0.3596 1.9037 0.4315 0.7707 1.3249 2.0343 0.5132 0.6807 0.9432 0.9801 0.6097 1.3111 0.9926 0.6977 1.0027 0.9243 1.5913 1.2258 1.3136 0.5705 0.8447 0.6644 0.6960 0.4473 0.4764 0.9003 0.5558 0.7126 2.6935 0.8018 1.3954 1.0260 0.8337 1.1022 0.8366 2.0130 1.3469 1.3999 1.0138 1.6607 0.5251 0.8592 4.7625 0.9973 1.1170 1.6012 1.0284 0.6809 1.0600 1.9892 0.3197 0.3945 0.5058 0.4721 2.1841 1.8146 1.6843 1.7700 1.4053 1.6630 1.3872 1.2942 3.0219 0.7782 alanine 1.0966 0.8035 0.8870 0.7755 1.2388 0.7877 0.7601 1.6173 0.7085 0.9041 0.7175 0.8372 1.2868 1.1679 0.4486 0.5526 0.9731 1.7845 0.6321 0.7121 1.1047 0.7367 1.1750 0.9337 1.5052 1.6114 1.1445 1.3323 1.4896 0.9321 0.6092 0.6875 0.6447 0.9001 1.4192 0.7549 1.0428 1.2787 1.2449 1.0974 2.3243 1.3754 1.3273 0.9518 1.6141 1.7411 1.1392 1.1979 0.4467 0.7419 1.2744 1.2946 0.9252 1.2044 2.3378 1.3247 0.9913 1.5669 0.4773 0.4852 2.3358 0.9848 1.0087 0.8737 1.6993 1.8960 0.3520 0.9230 0.7046 0.8082 allantoic acid 0.2024 3.1256 0.8146 0.4396 0.4945 1.5561 4.9051 0.9238 0.9436 1.8154 1.8998 6.6962 3.8321 0.8515 1.3450 0.9847 0.9548 0.3062 4.8830 1.3538 0.8041 0.3371 0.5286 0.9849 0.2847 1.6428 0.6345 4.4520 0.2024 0.5756 0.4572 1.6945 1.0000 0.6214 2.4478 0.9868 0.6099 1.6340 2.8827 1.5139 0.8667 1.6805 1.2118 1.3397 3.5311 1.1670 0.8277 2.5502 0.6779 0.8408 0.5498 1.8846 0.7320 0.8292 0.8733 4.7659 0.5882 1.6590 0.5991 0.8795 3.5876 1.4702 2.5618 1.0085 0.6154 1.3848 2.1229 1.6356 1.9434 0.5968 allantoin 1.1649 1.2310 0.3128 0.8969 0.8003 0.6910 0.4589 1.0740 0.3640 1.8517 0.5292 1.3535 0.5752 1.0674 1.3529 1.1548 0.3558 0.8762 0.5547 0.9074 0.7862 0.4842 0.7303 1.1748 0.7544 0.5540 0.6424 1.2322 0.6677 0.9229 0.4099 1.2114 0.8275 0.7703 0.8880 0.9114 1.0860 2.1076 1.2640 1.9348 0.7398 2.6816 0.9326 1.4982 0.5338 1.3125 1.8225 2.8838 0.2882 1.2685 0.7880 1.3994 0.9165 1.8385 1.1347 2.0543 0.3705 1.5875 0.4704 1.4157 0.6015 1.6191 0.6952 1.1107 2.0934 1.6345 1.8476 1.4169 1.2777 1.5314 alliin 0.1394 0.5084 0.2688 1.0535 0.0782 0.5504 0.4110 1.7514 0.1331 2.5643 0.7307 2.1131 0.3900 1.0791 0.4300 1.9805 0.0782 3.3321 0.3282 1.3976 1.8296 1.6867 0.3911 1.4320 0.7919 0.8408 0.1781 0.7113 0.4688 1.9098 0.3270 1.0189 0.2524 2.3351 2.0467 6.1285 0.5819 7.4645 0.5490 6.6433 0.1859 9.8890 0.0935 2.3387 0.3087 3.9481 0.9811 9.9723 0.6598 4.7016 0.4098 2.4753 0.5528 1.6863 0.3915 1.5623 0.0782 2.0132 0.6090 3.7301 1.3146 3.8950 1.9050 1.6719 0.2575 6.1785 0.2030 0.3833 0.1796 1.0357 allo-threonine 0.3683 0.9106 0.9462 0.8460 0.6229 1.2068 0.9959 1.1222 1.0041 1.8408 1.0938 1.0846 0.4453 1.0361 0.8831 0.9240 0.2804 0.4656 0.6514 0.5608 0.9128 0.5703 1.1465 1.1737 1.6767 0.3554 1.6043 1.0483 1.2249 0.7455 0.5287 0.7079 0.6562 0.3903 0.5294 0.6642 1.9657 1.4297 0.9445 0.8528 0.6553 1.1804 1.1496 1.4539 0.8953 0.9635 1.5335 2.2416 1.4948 1.0320 0.7796 0.9417 1.2791 1.0660 1.2480 1.8673 1.7222 1.6506 0.7901 0.7314 1.9837 1.2021 1.2004 1.0852 0.9657 1.2174 0.6447 1.1449 1.4240 0.9863 alpha-CEHC 0.1054 0.1054 0.1054 0.1054 2.7220 0.1942 0.1054 0.1054 0.7748 0.1054 0.1054 0.6438 0.1054 0.1054 0.1054 0.1054 0.1054 0.1054 0.1054 0.8446 0.1054 0.3009 0.1054 0.1054 0.1054 0.1054 0.4363 1.6262 2.5563 2.3405 1.0000 1.2819 0.2929 0.1054 0.7489 0.5389 1.0931 0.1054 0.1054 0.1054 0.1054 0.1054 0.5098 0.1054 0.1054 0.6020 0.1054 0.1054 0.1054 0.1054 0.1054 1.2670 0.1054 2.3522 0.1054 0.1054 0.6788 1.1791 1.4734 2.6611 0.1054 1.0593 0.1054 0.4781 1.4630 0.4492 3.2570 5.9864 0.1054 0.1054 alpha-CEHC glucuronide* 0.2576 0.2010 0.2457 0.5127 3.0628 0.9855 0.2789 0.9143 1.5850 1.0145 2.6555 1.4749 0.6879 0.7318 0.7829 2.0342 0.2713 0.5411 0.3822 0.5970 1.4890 2.7481 0.8189 0.4990 0.9748 0.1796 1.0584 0.9335 5.0058 1.3176 0.7206 2.0087 0.7300 0.8881 1.3292 1.8245 1.4509 0.7920 0.4203 0.6255 2.0624 2.1366 5.0911 2.2905 1.1417 0.7696 1.5654 1.4041 2.7493 6.6811 0.6496 0.7467 0.7931 1.0231 0.9761 1.0581 1.6099 0.7725 0.7777 1.3549 1.9046 1.0422 0.5500 0.6360 2.2634 3.1327 4.6995 2.7487 1.2529 0.7227 alpha-CEHC glycine* 0.1121 0.1121 0.2985 0.7028 3.1435 0.7732 0.1121 0.2941 1.6204 0.3274 1.5734 0.9878 0.1121 0.1121 0.3059 0.5342 0.1121 0.1121 0.1121 0.1121 4.1362 7.1156 0.1121 0.1121 0.3894 0.1121 1.8155 0.1121 7.2489 1.7182 0.1121 0.9895 0.9861 0.1121 0.3755 1.6386 0.9895 0.1121 0.1121 0.6621 4.4605 9.1573 18.4313 6.0939 1.9574 0.9660 0.1121 0.1121 0.4341 0.1121 0.2331 0.1121 0.6290 0.6614 1.4554 0.6216 1.0105 1.3571 1.4812 0.6967 1.9441 1.0602 0.9612 0.7276 5.4771 3.1795 6.8327 2.9070 0.1121 0.1121 alpha-CEHC sulfate 0.2038 0.1923 0.2556 0.6814 3.7009 1.2586 0.3301 1.2583 1.3029 0.5940 1.7912 1.6317 0.3484 0.2816 0.4209 0.9795 0.1835 0.3519 0.4894 0.6303 1.3099 3.0564 0.4264 0.3196 1.0911 0.1658 0.9607 0.7066 5.6823 1.2682 0.8080 1.8172 0.7086 0.5446 1.9183 1.8658 1.8585 0.6150 0.2088 0.3098 2.7625 1.8448 5.5311 2.9106 1.1642 0.7089 1.2880 0.4753 1.0211 3.1797 0.5591 0.6421 1.0831 1.2739 1.5933 0.7628 1.1571 0.5407 0.7768 1.3148 1.0205 1.0796 1.0906 0.6360 1.3197 1.3511 2.6294 1.8062 0.4246 0.3076 alpha-CEHC taurine* 0.1936 0.1936 0.9350 1.3977 1.3066 0.9086 0.3429 1.3524 9.2641 2.3167 2.1583 2.5430 0.6638 0.1936 0.8001 0.7319 0.1936 0.1936 0.1936 0.1936 0.7977 2.6430 0.6134 0.4643 0.6181 0.1936 2.6441 0.6867 11.7356 4.3167 0.2038 0.9384 0.4217 0.1936 0.2168 1.3818 4.4222 0.2725 0.1936 0.1936 1.1082 4.3420 9.0162 3.0014 0.7640 0.5460 0.1936 0.3425 2.8123 0.4744 0.5854 0.4829 0.1936 0.1936 1.0000 1.1694 1.7833 1.6268 1.4586 0.7505 3.0284 0.9809 0.8138 0.8044 6.0942 3.4429 8.3678 5.7070 0.1936 0.1936 alpha-hydroxyisocaproate 0.4202 1.2479 0.5732 0.4202 1.0221 0.9361 0.5896 1.9800 0.4202 0.4619 1.4677 0.5942 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 1.0102 5.7866 0.4202 0.4202 0.4202 0.9561 0.7594 4.4119 2.1955 7.7464 0.8965 0.7512 0.6115 1.2476 0.4202 0.4202 0.9570 1.0520 0.9560 1.5659 1.0235 1.3627 0.4202 0.4202 1.0653 0.4202 0.9144 1.0617 0.4202 0.4202 0.5615 0.9610 2.3090 2.3661 1.7249 1.7241 0.4202 0.4968 0.4202 0.8542 1.3525 2.5747 0.4202 0.4642 0.5607 0.9342 0.4202 0.4202 0.4202 0.9898 0.4202 0.4202 alpha-hydroxyisovalerate 0.3606 1.0428 1.3064 1.2636 0.6794 0.9010 1.0434 2.3118 0.5429 1.2758 0.8776 1.0468 0.5309 0.5474 0.3733 0.6249 0.5646 0.6998 0.4050 0.5678 0.4453 0.8203 0.6122 1.1126 0.6937 0.8287 1.4528 1.9666 1.2037 1.2558 1.0152 1.9103 0.5735 0.4460 0.9449 0.8940 1.7839 0.9042 1.5097 1.9639 1.2569 0.5992 1.9775 1.6086 1.2721 1.7647 0.8468 0.7368 1.0799 1.0261 0.5894 1.9492 0.7562 1.5822 1.0326 1.5930 0.6196 1.9014 1.5019 2.3451 0.9634 0.9848 0.9252 1.5961 0.6788 0.9759 2.0471 3.3199 0.3320 1.7245 alpha-ketoglutaramate* 0.3763 0.7534 0.8231 0.6782 1.0468 0.9532 0.7519 1.6500 0.4188 1.2180 0.8987 1.8572 0.5233 1.3228 0.7563 1.1612 0.4756 0.7310 0.6299 0.6757 0.4203 0.5358 0.5761 1.3757 0.7440 0.7260 1.2848 1.7529 2.1988 2.1174 0.6956 1.1104 0.5152 0.5992 1.1672 0.6759 2.9510 1.3704 2.9635 3.3062 0.4638 0.6154 0.8052 1.5701 0.6118 1.3444 2.8624 1.6592 0.5364 0.8250 0.5902 3.0921 0.7235 2.4130 1.0851 3.1661 0.2074 1.6999 1.6255 2.2287 1.1521 0.8684 0.6275 1.6882 0.7199 1.3161 1.0890 3.8521 1.1675 3.0376 alpha-ketoglutarate 0.4295 0.6320 0.8632 0.8404 2.0158 2.7595 1.2820 1.9494 0.8222 2.3021 0.9643 2.2736 0.7470 1.1626 0.3171 0.7800 0.1892 0.7810 0.9748 0.3548 1.5600 0.9191 2.8781 3.0194 2.3243 0.7687 0.8211 0.5740 1.0258 0.7206 0.3694 0.7485 0.7649 0.8489 1.5193 1.0838 0.8192 2.3209 2.9754 4.0025 1.3128 2.8585 0.3183 2.8652 0.7875 1.2172 0.8658 1.5984 0.6483 0.6337 1.3801 2.5232 1.1768 2.0421 0.3056 1.1168 0.4152 0.7378 0.6604 0.5246 1.0501 0.4974 0.9927 1.0073 2.3669 3.2828 1.1988 2.4268 1.7848 1.6985 andro steroid monosulfate C19H28O6S (1)* 0.4083 0.6999 0.8827 0.9505 1.2120 0.6982 0.5782 1.0495 0.3238 0.6141 1.1131 1.6365 0.3064 0.5339 1.8911 2.7306 0.1620 0.6746 0.4575 0.7822 0.5596 0.8590 1.2566 1.1448 1.1016 0.6850 0.6775 0.7600 0.7544 0.9445 0.8794 0.8921 0.4570 0.7024 2.2970 1.7657 1.4887 1.8517 3.5789 3.0164 1.9202 2.5095 1.6801 2.1463 0.5734 0.8156 2.3252 1.6415 1.0683 0.8308 0.5010 0.7254 0.8506 1.2152 1.3363 2.1973 0.5227 1.7248 1.7664 2.5650 0.6797 0.6438 0.5913 1.3498 1.1512 1.2899 1.6543 2.5057 2.7129 1.6016 androstenediol (3alpha, 17alpha) monosulfate (2) 0.1709 0.9572 0.7450 1.0000 0.4348 0.8327 0.1709 0.1709 0.1709 0.4884 0.1709 0.6014 0.2689 1.3172 0.1709 6.1035 0.1709 2.3697 1.7343 2.7904 0.1709 0.1709 0.9231 0.9176 0.4624 0.1709 1.0798 1.8788 0.1709 0.4916 1.8260 5.1565 1.0103 1.3431 0.1709 0.4667 0.2144 0.7253 0.8048 2.0437 1.5992 2.4040 12.3083 19.3121 0.2523 0.2878 2.4392 1.2656 2.8259 8.4815 0.5379 1.4334 0.3723 0.7891 2.6093 2.3950 0.1709 0.4277 1.4210 5.0795 1.3737 1.2417 0.2119 0.7759 0.1709 0.7682 0.2773 0.2656 0.6028 3.2879 androstenediol (3beta,17beta) disulfate (1) 0.3026 0.5428 1.1187 0.9227 0.7468 1.0466 0.9001 2.7571 0.3204 0.7382 1.8767 3.5238 0.7565 1.1770 1.0455 2.2089 0.2047 0.6277 0.4670 0.5742 0.3462 0.4794 0.3729 0.4955 0.3412 0.2144 0.9994 1.1632 0.8117 1.2045 0.7265 0.8307 0.3341 0.5066 1.0006 1.3667 1.9029 1.9772 1.7170 2.4042 1.1774 1.6025 3.0592 3.7292 0.3373 0.5868 1.4370 1.2792 1.2963 2.6125 0.4297 0.9081 0.4921 0.6719 3.7622 4.6451 0.7021 1.4305 1.9670 1.9859 0.8599 0.9369 1.9307 4.7616 0.7362 0.7864 10.8203 12.5896 1.7084 2.1879 androstenediol (3beta,17beta) disulfate (2) 0.3149 0.5975 1.2730 1.2138 0.7573 0.6809 0.3975 1.2964 0.4213 0.8617 1.7588 2.5730 0.5137 0.9012 1.4950 3.4149 0.2651 0.7981 0.9823 1.0177 0.6100 0.8992 0.7662 0.9337 0.7620 0.4333 1.1060 1.1661 0.5747 0.7199 0.9316 1.2653 0.4005 0.5188 1.2923 1.5363 1.4189 1.6997 1.5630 2.1792 1.5115 1.9393 2.8531 3.4368 0.3841 0.7386 1.6700 1.4491 1.6519 1.8518 0.4140 0.8574 0.6195 0.7357 1.5364 2.2526 0.4840 1.2010 1.0501 1.5594 0.7540 0.8267 0.8147 1.9375 0.7119 0.9302 1.0210 1.8913 1.2925 1.3039 androstenediol (3beta,17beta) monosulfate (1) 0.8095 1.1370 0.7983 1.4502 0.6277 2.5383 0.1106 0.4691 0.2432 0.5580 0.1315 1.3428 0.6110 1.5508 1.0527 6.3315 0.9743 2.1277 1.2595 2.5112 0.0760 0.0760 0.4352 0.5921 0.1198 0.2001 1.6625 2.4984 0.0850 0.5623 3.5488 6.5356 3.1674 5.8588 0.0760 0.7865 0.2528 0.6224 0.6541 1.8103 1.0257 1.7905 13.6536 22.5849 0.2372 0.2960 5.7037 3.1535 5.5910 10.1767 0.8910 2.8007 0.3742 1.1582 2.7165 3.0406 0.3132 0.5715 2.8933 5.2656 1.0705 1.9303 0.2184 0.9084 0.3184 0.5328 0.6877 0.7496 0.8984 4.9343 androstenediol (3beta,17beta) monosulfate (2) 0.1404 0.1404 0.6147 0.4506 0.1404 0.3890 0.1404 0.8754 0.1404 0.1404 0.1404 1.3234 0.9962 0.1404 0.1404 1.6796 0.1404 0.1404 0.1404 1.0000 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.3781 0.1404 0.1404 0.1404 0.5107 1.1667 0.4056 0.1404 0.1404 0.2950 0.4979 0.8538 0.4895 1.0252 0.6518 1.0561 5.0424 7.4980 0.1404 0.1404 1.5767 1.0352 1.5308 5.0798 0.2591 1.0032 0.1404 0.3825 2.3097 2.7961 0.3184 0.4717 1.1168 2.3897 0.1404 0.8407 0.6331 1.3905 0.1404 0.1404 1.9324 1.7451 0.1404 2.8997 androsterone glucuronide 0.3662 0.6066 1.4770 1.1997 0.8009 0.5638 0.6413 1.6811 0.4003 0.7777 2.3799 1.8531 0.5134 0.7110 0.7261 1.4238 0.2882 0.8257 0.8070 0.7525 0.9445 1.0421 0.9138 0.9077 0.8265 0.4324 0.7721 0.6529 1.1156 0.9214 0.9096 1.2692 0.3723 0.3748 2.1584 1.6226 1.5080 1.5533 1.0950 1.3302 1.9297 2.0642 1.3260 1.7891 1.0513 1.2641 0.9876 1.0146 1.1998 0.7590 0.7019 1.0228 0.9107 1.0124 1.2826 2.0199 1.0227 1.8601 0.8451 0.9658 1.0986 0.6896 0.7607 1.0582 0.9124 1.5079 0.6129 1.0527 2.4155 1.8467 androsterone sulfate 0.4865 0.6691 1.2595 1.1660 0.5951 0.6585 0.0858 0.2842 0.3933 0.6538 1.8385 3.9816 0.7785 1.5402 2.3968 6.2186 0.4313 1.0223 1.9346 1.9567 0.6975 0.9777 0.4167 0.5231 0.4893 0.3673 0.7295 1.2049 0.8898 1.1917 0.5439 0.8541 0.4658 0.6551 0.3088 0.6776 0.4744 0.8158 1.7767 2.2875 2.5464 2.8485 5.0954 7.3265 0.8197 1.0427 2.1386 1.7305 1.5493 2.0256 0.8839 1.9364 0.6468 1.1193 1.2659 1.2350 0.3454 0.3655 1.3983 1.1811 1.1404 1.2985 0.5497 0.9676 1.1131 1.1920 0.7206 0.5138 1.4401 2.8914 anserine 0.2891 0.3982 3.0645 0.2487 0.1013 0.1013 15.1290 1.0269 4.4161 1.3658 6.1411 0.1013 0.1013 0.1013 2.6729 0.1013 1.6780 0.4761 11.0656 0.8778 8.3787 0.1013 1.1382 0.1955 0.2946 0.1013 49.6497 1.5165 3.4330 0.4963 6.9492 0.5963 8.4635 0.1013 0.4952 0.3523 1.1935 2.0962 0.4811 0.1013 0.1059 0.1013 0.6863 0.2414 0.6765 0.5638 0.5050 0.2310 0.9165 0.1013 0.5874 0.1013 13.5989 1.6270 3.7916 1.2006 4.6461 1.2576 1.0076 0.2952 13.1431 1.3805 0.9464 0.9924 2.1331 0.1607 0.2132 0.1013 0.1013 0.1719 anthranilate 1.9121 1.7659 0.6207 0.8324 0.5403 0.2440 1.2520 0.2440 0.3172 0.5057 1.0193 0.2440 0.4983 0.9434 0.9807 1.0683 0.2440 0.2440 0.7102 5.7613 0.4423 1.1673 1.3290 0.5280 1.6477 3.3884 0.7276 1.4067 3.5780 3.6243 14.4407 0.8726 0.9608 0.2440 0.6524 0.4809 1.1304 0.2440 1.7927 1.2784 1.5082 0.9531 0.7125 1.8995 0.6213 0.4815 0.2440 1.1692 2.1680 0.9383 1.2821 0.5663 1.2888 1.3140 0.5299 0.2440 1.3851 1.1978 0.8421 1.4021 1.8611 0.9216 0.6104 0.2440 0.7491 0.2440 0.5585 2.1350 0.2440 0.2440 arabinose 0.5229 0.9544 1.4132 1.5728 1.6988 0.4861 1.5919 1.2707 0.5513 1.4669 0.6738 3.1114 0.9376 0.8419 0.4428 0.8776 0.3485 0.9835 0.5830 0.6324 0.9232 0.7626 0.8937 1.3861 1.3160 0.7516 0.6126 0.7316 1.0919 0.9581 0.5408 0.8651 0.4071 0.5085 1.6883 0.7768 1.8819 2.0100 1.0554 1.0940 0.9710 1.6403 1.3043 2.3166 0.8368 0.9408 0.9195 1.3607 0.6507 0.8330 0.8241 1.3685 1.2236 1.0651 1.4439 1.1801 0.5126 1.1523 0.6908 1.0165 1.1545 1.2052 1.5407 1.6554 1.5484 1.6102 0.9728 2.2348 1.3930 1.0343 arabitol/xylitol 0.6965 1.3136 1.0926 1.0304 1.5923 0.8656 1.1679 1.4177 0.4963 1.1058 0.8594 2.1334 0.9724 1.4005 0.6718 0.8698 0.4390 1.1742 0.7663 0.5376 0.5804 0.8973 1.5758 1.4509 0.8996 0.7962 0.6738 0.9298 0.9934 0.7269 0.5816 0.7822 0.4244 0.6892 1.0201 0.7119 1.3217 1.2204 0.8033 1.4193 1.1509 1.4252 1.1626 1.6843 0.8276 0.8177 1.2201 1.4624 1.0823 1.1608 0.9235 1.0344 0.7874 0.7788 0.8712 1.4344 0.8113 1.0066 0.9323 0.6223 1.0263 1.1397 0.9419 0.9160 2.7309 1.7121 1.1497 1.6083 1.8040 1.1800 arabonate/xylonate 0.3898 0.5999 2.2796 1.9995 2.3418 1.6910 2.5572 1.0809 0.3556 1.0635 1.5255 3.7555 1.1720 0.8480 0.4995 0.8009 0.1066 0.5530 0.5925 0.6907 1.4718 1.0330 1.0537 1.0746 1.4037 0.3635 0.8325 0.6435 0.9930 0.6863 0.7327 0.6033 0.5028 0.3359 1.2460 0.9315 1.4902 1.3941 1.3080 0.7377 1.5883 1.1652 1.0935 0.9771 1.0192 0.7880 0.9153 1.4952 0.7440 1.2126 1.0697 1.1395 0.8193 0.7500 1.2342 1.1136 0.9631 1.0070 0.5779 0.6540 0.9198 0.9546 0.9556 0.8767 1.5438 1.5632 1.4052 1.8135 1.0234 0.6006 argininate* 1.2777 1.1208 0.4756 0.6780 0.7497 0.7213 0.9644 0.8988 0.7359 1.8109 1.0526 0.9908 0.4609 0.8517 1.0092 1.4456 0.5642 1.3807 1.7891 1.6213 0.7497 0.7507 0.9692 1.3656 0.6452 0.7341 1.6080 1.3358 0.7076 0.7259 0.8617 1.1182 0.8591 0.4821 0.7345 1.2275 1.0355 1.1160 0.8675 2.3844 2.1438 2.2748 2.3472 3.0710 0.5667 0.8627 3.6091 3.5616 0.7619 1.1143 0.9852 1.9840 0.9164 1.0515 0.9418 2.4421 0.7405 1.8209 0.4913 1.7831 0.8340 0.8943 0.8169 1.1341 1.1859 1.1607 0.5997 1.7342 2.0815 1.7820 arginine 1.3878 1.4948 0.8250 0.7395 1.1968 0.8945 0.8668 1.2297 0.6124 1.0216 0.8304 0.6169 0.5668 1.0618 0.8085 0.9199 1.7656 2.7672 0.7549 0.5108 0.6045 0.5776 1.8202 1.0641 0.7723 0.7756 0.7893 1.2282 0.7373 0.9154 0.5239 1.1747 0.6411 1.1672 0.8587 0.6495 1.1205 1.5525 0.9992 1.4364 1.0008 1.5998 1.1205 2.2136 0.8371 1.1244 2.6117 1.5586 0.8837 0.8009 0.8518 1.3046 0.6966 0.6704 0.6791 1.7391 1.1224 1.4321 1.3159 0.7350 1.4214 1.0215 0.9043 1.0082 1.1698 1.2618 0.9336 0.9420 2.1545 1.2891 argininosuccinate 1.4028 3.4039 0.4472 0.5337 0.3694 0.3547 0.4788 1.1557 0.2878 1.3249 0.7569 0.4545 0.4365 2.0714 1.1917 0.9978 0.8038 2.1949 1.1081 0.5199 0.5822 1.6805 2.4464 1.1368 0.6955 0.4524 0.6416 2.4885 0.8579 0.7134 0.2895 0.6650 0.3651 1.2858 0.4238 0.3679 1.4221 1.7372 1.0706 1.1895 1.7926 2.0892 1.5119 2.5473 0.6302 0.5135 0.8849 1.2244 0.8039 1.2815 0.9376 1.7006 1.2443 0.4975 1.0180 1.6050 0.7614 0.5882 0.4173 0.3801 1.0022 0.8968 0.7268 1.2867 1.0447 1.3880 1.1282 1.6418 1.7103 1.3447 ascorbate (Vitamin C) 0.0999 0.0999 4.7966 0.4081 0.0999 1.6630 0.3449 0.0999 0.8921 0.0999 0.0999 0.2189 0.4344 0.0999 0.3977 0.0999 0.0999 0.0999 0.1194 0.0999 1.7854 209.3475 0.0999 0.0999 0.0999 0.0999 5.0743 0.0999 1.3800 0.0999 0.0999 0.1151 0.1699 28.0954 0.0999 3.3847 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 0.0999 2.9077 0.9739 0.0999 0.4151 0.0999 3.1063 6.6383 1.8285 0.1348 1.0000 0.0999 2.3711 0.0999 0.0999 0.0999 asparagine 1.5016 1.7616 0.8873 0.7310 0.9996 0.9164 0.8381 1.5681 0.6480 0.9208 0.5248 0.8543 1.3320 1.8282 0.6467 0.7781 1.5370 3.1490 0.7437 0.7722 0.6841 0.7062 1.1979 0.9819 1.1482 1.4873 0.7726 1.0846 1.4203 0.9703 0.5484 0.8829 0.8752 1.5282 1.5583 0.9580 0.9284 1.3567 1.6146 1.1704 1.0281 1.2265 0.8896 0.9620 0.7968 1.4358 1.1621 1.5466 0.6374 0.9789 1.3459 1.8168 0.7378 1.1026 1.4488 1.2649 0.8275 1.2852 0.7454 0.7940 1.0988 1.1379 1.1701 1.0269 1.0387 1.0004 0.8142 0.8257 1.0336 0.9692 aspartate 0.7320 0.7190 0.6397 0.4967 1.3394 0.7444 0.3174 1.2521 0.4947 0.6435 1.3263 0.5161 0.8036 1.8702 0.5258 1.1597 3.0196 3.4773 0.6389 1.2504 0.3947 0.7292 1.2473 1.0499 0.7868 6.4244 1.0956 2.6722 0.5211 0.5461 2.0051 1.0170 0.4573 1.5502 0.7293 0.6361 1.4771 2.0484 3.0102 2.4178 0.8939 1.6749 2.1006 2.6664 0.6532 0.9031 2.1199 0.9251 0.9006 3.3654 0.9530 0.9427 0.9830 1.4495 1.5892 3.4631 0.7972 1.5529 0.8426 1.7039 1.5944 0.7174 0.3689 0.7991 0.7287 1.1126 0.5167 4.6780 2.9546 2.0073 azelate (C9-DC) 0.4009 0.8806 0.7933 1.2817 1.6999 0.9671 1.3907 1.0235 0.5146 1.2130 0.2282 0.8865 1.5988 0.4303 1.7239 1.9837 0.3511 0.4492 0.8295 0.5593 0.8160 0.7312 0.6297 0.8874 0.9119 0.4211 1.1326 0.8128 1.2472 0.6567 0.6283 4.3700 3.3398 1.3920 5.9305 0.9738 0.7378 1.5302 1.4177 1.3525 2.1023 3.0596 1.1050 1.1962 0.8467 0.9765 0.6174 1.5133 0.7026 1.4703 0.7349 1.2349 1.3721 1.4310 3.3921 1.8091 0.3056 0.9069 0.3365 0.9073 2.5721 1.9548 2.1280 2.0030 3.2525 1.5214 0.5791 3.6393 0.5285 0.4663 azeloylcarnitine (C9-DC) 0.1669 0.9139 1.0619 1.2568 1.0790 0.9817 0.7188 0.8910 1.0420 1.3983 1.0928 4.3891 1.6030 0.3842 0.5251 0.3712 0.1669 0.1669 0.5844 0.4282 0.7114 0.6392 0.7823 0.6346 0.8814 0.1669 0.9529 0.1669 1.0183 0.5576 0.2406 0.7979 1.8017 0.3801 5.6160 0.4898 2.0848 0.3126 0.1669 0.1669 3.0459 1.2294 2.0714 1.1314 0.1669 1.3827 0.1669 0.1669 1.8354 1.2357 0.9457 0.1669 0.7734 0.1669 0.1669 0.5214 1.6413 1.3750 0.2002 0.1669 0.1669 1.4859 3.3827 1.4397 1.8659 0.1669 1.5646 1.4555 0.6732 0.1669 benzoate 0.6351 0.7645 0.4991 0.3684 1.9493 0.2495 0.7053 2.6498 0.2984 0.6311 1.5416 0.2495 0.3553 1.2290 1.0000 0.5351 3.3468 1.4230 4.2371 14.5882 0.3627 0.6276 0.8016 1.0679 1.5892 6.5740 0.4249 3.4919 3.0734 3.7685 1.1035 1.1156 0.4823 0.6306 28.0475 1.1040 0.5907 0.2495 3.0862 5.6872 0.2495 0.8309 0.4686 0.8249 0.2495 0.5050 0.2495 0.2495 0.2495 0.8547 1.3446 3.5155 0.7511 4.4996 0.7153 1.1966 0.2495 0.2495 1.4584 8.9513 0.4598 0.5717 0.2495 0.6149 0.2495 0.2495 0.6566 4.3496 0.2495 4.4452 benzoylcarnitine* 0.6608 0.7636 0.5329 0.4342 1.3887 0.9788 0.6447 1.2877 0.5640 0.5331 1.2456 2.5257 2.0094 1.3140 1.6072 0.7574 0.2554 0.3960 1.2915 0.6187 1.0118 0.8857 3.0070 2.2111 2.2816 1.0119 1.2034 1.2402 0.9309 0.9496 0.7673 0.6765 0.7018 0.5042 1.0796 0.4668 3.8116 1.4307 1.1716 0.9808 1.2996 0.8525 3.4991 1.6914 0.8579 0.7406 0.7083 0.8581 1.5669 0.9052 1.4079 1.6843 0.9044 1.2272 1.0626 0.5862 0.6631 0.9882 0.3220 0.5845 1.0803 1.0676 1.4056 1.0850 2.1205 1.0769 0.8673 2.0501 1.4766 0.6046 beta-alanine 2.3983 0.7572 1.1825 0.8315 0.6400 0.5555 2.0477 0.7749 1.0818 0.9368 0.7023 0.6029 0.6771 0.8152 0.6513 0.6107 3.6869 2.3350 2.1292 3.1724 0.6440 0.4015 0.7199 1.2281 1.0943 1.9851 1.1061 0.8660 0.7705 0.8139 2.3992 1.8951 1.7915 2.3041 1.2373 0.5337 0.9531 0.8221 0.7690 0.3800 0.5480 10.3984 0.6095 2.3652 1.0000 0.4849 1.3203 1.9377 13.5442 0.8087 2.1341 1.8034 1.6672 2.3121 0.3800 1.1045 1.5791 0.9803 1.8775 1.6490 1.2359 1.0477 0.8069 0.4845 0.9193 0.9322 0.8349 1.6338 0.3800 0.3800 beta-citrylglutamate 0.6598 1.1427 0.8334 0.8119 1.1645 1.1150 0.9987 2.8146 0.4356 1.0092 1.4440 1.4397 0.6465 0.9871 0.4645 0.8245 0.3122 0.8719 0.7403 0.7335 0.6910 0.7119 0.7892 1.1369 0.7878 0.3789 0.8930 0.7043 1.2419 1.0388 0.3205 0.4865 0.3646 0.3491 1.1074 0.6770 1.6180 1.8002 0.9654 1.1322 1.3600 1.7995 1.0776 1.2322 0.9871 1.0013 1.0160 1.3630 1.6200 1.3150 0.8945 1.0907 0.8509 0.7642 0.8355 1.1138 0.8819 1.4731 0.7105 0.7995 1.5811 1.2745 1.3855 1.6676 1.2576 1.4401 0.9202 1.6163 1.7277 1.3123 beta-guanidinopropanoate 5.2209 0.1480 2.6577 1.0000 0.1480 0.1480 0.9480 0.3248 0.8611 0.1480 22.5216 0.1480 0.1480 0.1480 1.2247 0.6485 0.1480 0.1480 0.1480 0.1480 0.4593 0.1480 0.1480 0.2499 0.2504 0.1480 0.8178 0.1480 0.4766 0.3179 6.8406 3.3419 0.5257 0.1480 0.4751 0.1480 0.1480 0.1480 0.1480 0.1480 2.2526 0.1480 0.1480 0.1480 0.7881 3.8541 1.0953 1.4966 50.7455 0.1765 0.7665 0.1480 1.5363 0.5526 1.1458 0.9863 1.2029 2.0240 0.1480 0.1480 1.2929 1.3951 2.9491 0.1480 0.3115 0.1480 0.8899 0.1480 7.5202 4.7742 beta-hydroxyisovalerate 0.4699 0.9965 1.7754 1.2711 0.5815 0.9727 3.3534 2.1444 0.8836 1.0035 0.6615 0.6809 0.5843 0.5531 0.6450 0.5356 0.4371 0.4452 0.6801 0.7189 0.3567 0.8601 0.2606 1.0226 1.7518 0.9582 1.8276 1.4136 1.4365 1.6525 1.6343 2.9744 0.9112 0.4339 1.6499 1.2727 1.2713 0.6084 1.3822 1.6526 1.0231 0.0862 1.6120 0.7670 1.0198 1.4494 0.4554 0.0866 0.1709 0.4170 0.7731 2.7301 0.7778 2.1139 1.3326 0.9758 0.3419 1.3749 1.1499 1.7288 2.9510 1.8460 1.2570 2.0962 0.4387 0.2509 1.1564 1.8989 0.0744 1.6068 beta-hydroxyisovaleroylcarnitine 1.3256 1.5475 0.9365 0.8312 0.8059 0.6086 0.9484 1.2383 0.6950 0.3401 0.7265 0.8060 0.8678 1.2876 1.0290 0.7784 1.0688 1.6403 0.9321 0.5991 0.6189 0.5036 2.7330 1.4443 1.1206 1.0528 1.1080 1.1122 0.6002 0.4167 1.0408 1.3123 0.8477 1.2636 1.0569 0.5638 0.7420 0.7908 0.6169 0.5228 0.8034 0.7695 1.3167 0.9608 1.1098 1.0732 1.2811 1.0072 1.3971 0.7677 1.0322 0.9928 1.2942 1.0444 0.9014 0.8367 1.1592 1.3475 1.4659 0.9239 2.0018 1.1883 1.1247 0.7431 1.7375 1.7729 0.5013 0.6397 2.6510 0.9643 betaine 0.9596 1.1931 0.9648 1.0110 0.8611 0.7315 0.7596 1.5014 0.6278 0.8291 0.5951 0.7759 0.7857 1.1390 0.6604 0.7731 1.2777 2.0916 1.2894 0.6777 0.6585 0.9166 1.6207 1.0010 1.5669 1.9113 0.8534 0.9532 0.8777 0.6323 0.5293 0.6767 0.5856 1.0305 1.1028 0.7241 0.8105 0.9031 0.8396 1.0303 0.7098 0.8789 1.0589 1.5958 1.4280 1.9902 1.3295 0.9368 1.0161 0.7783 1.2642 1.4860 0.9885 1.3577 1.1735 1.2715 1.4951 1.3315 1.4619 0.9624 0.9271 0.9990 1.2304 0.6114 1.0595 1.4549 1.2789 1.4429 2.0480 1.5321 betonicine 0.2373 1.1226 0.5330 1.8305 1.2551 0.9852 0.3765 1.0148 0.2078 0.6339 0.3980 0.5961 14.7003 1.1143 0.3477 0.7365 0.2134 0.7818 1.2811 0.7649 0.8185 1.5456 8.8637 1.2818 0.2501 0.3538 0.7082 0.6539 16.3604 1.2386 0.2988 0.8187 0.4690 0.5359 0.7527 0.6722 1.1502 1.3529 2.4895 1.7198 1.0874 1.5448 1.4569 2.0001 1.2875 1.3515 1.4819 1.1135 1.6941 0.7961 0.6046 1.1017 0.6982 0.7969 0.5261 2.6711 0.2078 0.8584 0.2078 0.8060 0.2078 0.2078 0.2078 0.4199 1.3578 1.3910 20.9466 5.5817 3.1885 0.2078 biopterin 1.0777 1.3649 0.4404 1.3744 0.5452 0.4836 1.2871 2.5268 0.7386 1.4917 2.0345 2.1426 1.0609 1.7333 1.4097 1.9331 0.3687 1.3811 0.5978 0.3211 0.6654 0.4000 0.8934 1.1357 1.5642 0.4591 1.0649 0.8131 0.7622 0.5253 0.6767 0.6997 0.9384 0.7871 1.3676 0.4280 1.4263 1.4663 1.0730 1.2302 1.2354 0.8565 0.5462 1.0166 0.9893 0.7953 0.9766 0.8599 0.7731 1.0611 1.0780 1.1442 0.9435 0.5792 1.0107 1.5737 0.9210 1.4014 0.8399 0.9054 1.2149 1.0276 0.8110 0.9544 0.8881 1.3384 0.9362 1.0715 1.4883 1.0339 cadaverine 0.1357 0.1357 0.1357 0.1357 2.1815 0.1357 0.2674 2.5142 0.1804 0.1357 7.2380 0.1357 0.1357 0.1357 0.1357 0.4555 0.1357 0.1357 0.1357 3.1921 0.1609 0.1357 0.1357 0.1357 1.0003 24.3667 0.7114 9.3867 0.7146 0.1357 0.1357 0.1357 0.1357 0.1357 0.2856 0.1357 0.1357 0.1357 0.1357 0.1357 0.8161 0.1357 0.6734 0.1357 0.1357 0.1357 0.1357 0.1357 0.9997 3.1566 3.8382 0.6006 3.7392 0.6417 1.4917 1.4415 0.1357 0.1357 1.0912 2.4706 0.1357 0.1357 0.3396 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 caffeic acid sulfate 0.1042 0.4338 0.4113 1.6026 1.6970 0.5178 6.0383 1.0344 1.8101 5.9471 0.1881 2.2620 5.1924 1.4594 1.5702 2.4227 0.0830 0.9372 1.3245 0.9784 3.7133 3.1279 0.3454 0.5446 0.2863 0.4744 0.3240 0.7470 0.8220 0.7421 0.2577 2.1827 0.6334 0.2368 13.3793 2.8404 0.8475 2.2009 1.5904 1.1309 2.2679 4.2067 0.9374 0.7498 0.5799 1.1856 0.5707 2.5855 0.2663 1.8257 0.6104 0.6471 1.1005 0.5234 1.6093 1.5903 0.4020 1.5165 0.3734 1.3365 2.7211 6.3560 1.3278 1.0216 2.1477 0.8148 0.7194 0.7418 0.6089 0.4206 caffeine 8.1955 0.0658 0.0712 0.0658 0.2844 0.0658 0.8032 0.0658 0.0658 0.0658 1.7716 3.3016 13.5630 0.0658 11.8684 0.0658 17.5201 0.0658 0.0658 0.0658 0.1218 0.0658 11.3522 0.0658 3.0352 2.1805 0.3289 0.0658 0.0658 0.0658 0.5456 0.0658 0.0658 0.0658 0.4062 0.0658 1.9167 0.2197 0.0658 0.1863 1.3312 0.0658 0.6535 4.5351 0.5557 0.0658 7.9035 0.0658 19.3189 0.6683 2.5994 0.9784 0.0658 0.0658 1.0216 0.0658 0.2753 0.0658 0.1526 0.0658 0.0746 0.0658 0.0658 0.0658 0.4056 0.8963 3.5285 9.4778 23.3266 0.0658 carboxyethyl-GABA 1.5239 2.1307 0.6372 1.0219 1.0709 0.8632 0.6188 1.1216 0.4828 1.1810 0.4658 0.6250 0.4447 1.7808 0.8894 1.0250 2.1466 2.9767 0.8662 0.4948 1.0213 0.9284 2.0845 0.9661 0.5094 1.7908 0.6639 0.9180 0.7237 0.7952 0.4574 0.6517 0.5486 1.6576 1.5137 0.4644 0.5302 1.6154 1.1807 2.5228 1.3708 2.6264 0.4905 3.4481 0.4032 0.2603 2.1393 2.0049 1.5191 1.1497 1.1306 0.9787 0.8468 0.8470 0.3773 2.3170 0.2033 0.6921 0.4658 0.6218 1.7879 1.5991 0.2973 0.5542 3.1132 1.1049 1.2790 2.4104 3.3634 1.9419 carboxyibuprofen 0.2541 668.3084 1.6612 1.2185 0.4610 11.2337 1.6216 5.0300 0.0829 0.0829 1.6412 3.1403 0.2436 24.9877 0.0829 21.3140 0.0829 0.2630 0.2853 0.3212 0.1808 0.9138 0.0829 0.0829 0.2285 0.2763 0.2813 0.1856 0.1580 0.3404 0.0829 0.0829 193.4525 0.0829 5.1815 1.9311 0.0829 0.3169 0.1605 0.5733 0.0829 0.0829 0.0829 0.0829 380.7713 484.4326 0.5166 1.1964 12.1226 7.1096 0.0829 0.4861 0.6015 0.3374 0.0829 0.0829 1.0862 114.7993 0.3701 0.4854 0.0829 0.0829 0.0829 0.0829 0.7334 1.7850 3.6958 3.9812 10.3450 2.5649 carboxyibuprofen glucuronide* 0.0148 147.9559 0.1989 0.0911 0.0148 2.2485 0.3604 1.0840 0.0148 0.0148 0.2282 0.4626 0.0422 6.9728 0.0148 2.2177 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 35.4489 0.0148 1.0082 0.3117 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 104.5673 125.8785 0.0148 0.0148 2.1404 1.4523 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.1267 41.7339 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.0148 0.2545 0.2969 0.0148 0.9918 0.0148 carnitine 4.0996 0.9811 3.2298 0.4773 1.7258 0.1991 0.1779 0.7241 1.0662 0.1624 0.1502 0.7627 0.5355 0.5104 1.5989 0.4267 6.3723 1.9476 4.8062 0.7627 0.2644 0.2564 7.7889 1.5527 0.9966 1.1681 0.6723 0.6723 1.9943 0.3540 1.1271 0.7884 1.1810 1.0515 1.4909 0.1554 0.2429 0.8096 1.3680 1.0401 0.2691 0.5557 2.0880 0.9431 1.4487 4.4755 9.7897 2.4707 0.5796 0.3235 1.7037 0.7899 0.5357 3.4080 0.1888 0.4364 1.3014 0.7575 2.6714 0.4501 5.6693 0.8929 1.4923 0.1962 3.4919 4.9094 1.0034 1.5488 14.8952 2.7697 carnosine 0.5917 1.2404 0.9026 0.7630 0.5497 0.5986 1.4466 2.1651 1.9038 3.3134 0.9445 0.5477 0.2387 0.4199 0.6938 0.4285 0.4920 1.7956 2.4693 1.9635 0.8845 0.7716 0.7818 0.9746 0.9631 0.5708 3.1212 3.2605 1.4836 1.0254 1.0827 1.0670 0.4466 0.4231 0.8551 0.8362 2.1467 3.8237 2.1680 1.9182 1.0752 0.5848 5.0029 3.8171 0.8291 1.2402 0.6407 0.8302 0.8714 0.7622 0.6170 0.7290 2.3600 1.7084 2.0330 3.2845 0.9342 2.5135 0.5869 0.8560 3.0615 2.3977 1.5548 1.6395 1.1982 1.4460 0.3103 0.5261 1.6943 1.2252 catechol glucuronide 0.3182 1.7240 0.1292 0.2351 0.8071 0.3041 0.6034 0.4765 1.3302 1.1944 1.2536 0.6217 3.6791 0.6978 1.8886 2.0147 0.2607 0.3125 5.6978 0.5545 0.7322 1.6516 1.1570 0.3619 0.6130 1.1009 0.3558 0.9528 0.5723 0.5869 0.7252 1.6476 0.9517 1.1029 1.7871 1.0284 3.6270 0.8044 1.1219 1.2585 1.7009 0.5194 1.5295 1.3628 3.7127 0.4870 1.9522 0.9716 6.5986 1.5187 1.0406 0.6530 0.7911 0.4086 2.1228 1.3563 0.8060 1.7284 0.0697 0.6891 2.0684 1.0357 0.8619 0.8838 0.6366 1.6757 0.8741 1.0645 2.0353 2.1309 catechol sulfate 0.2574 1.1843 0.3820 0.3493 0.8578 0.9976 0.4829 0.7391 0.8421 1.0097 0.5443 0.5643 0.7044 0.6310 0.9164 1.1758 0.2617 0.8839 2.8094 0.8370 0.6164 1.2650 1.2079 0.5148 0.5979 0.9444 0.2926 1.1615 0.6588 0.6821 0.4753 0.8198 0.6587 0.8286 1.3353 0.8540 1.9308 1.3204 1.4562 2.1682 1.4769 1.1208 1.9168 2.6221 1.1269 0.9472 1.2639 1.2598 1.5039 1.2493 0.7865 1.0596 0.7071 0.6154 1.3471 1.5032 0.5796 1.4123 0.3195 1.4212 1.1714 1.0024 1.2095 1.5988 0.7835 1.1766 1.1436 1.5674 2.2501 2.2539 cetirizine 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 2.8078 5.2910 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.6232 0.4848 0.4848 0.4848 0.4848 1.0000 0.5435 0.4848 0.4848 0.9010 1.3929 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 0.4848 1.3962 0.4848 0.4848 C-glycosyltryptophan 0.5320 1.0704 1.1063 1.0074 0.9926 0.6631 0.6264 1.4802 0.5587 1.0090 1.2300 1.3122 0.6212 0.9432 0.5503 0.8276 0.3397 0.8623 0.7116 0.7599 0.7036 0.8451 1.1149 1.1573 0.8352 0.5221 0.8632 0.7690 1.0282 0.9090 0.5022 0.7295 0.4925 0.5390 1.4773 0.8256 1.2643 1.5240 0.9608 1.3211 1.1512 1.5276 1.4993 1.6729 0.9300 1.0477 0.9331 1.2436 1.3164 1.3663 0.7526 1.0693 0.9874 0.9035 1.0904 1.6417 0.7908 1.3830 0.6491 0.9289 1.0611 1.2143 1.1003 1.3470 1.2751 1.5541 0.9094 1.4788 1.7131 1.1729 chiro-inositol 0.1235 3.9211 0.1235 0.1235 1.0727 0.5637 0.1235 0.1235 0.1235 0.4138 0.1235 0.1777 0.6105 0.1235 0.1235 0.1235 1.1808 1.6050 2.2858 0.5878 0.1235 0.4610 0.1235 1.1868 0.1235 1.6043 2.6921 1.7886 0.1235 1.6208 0.1235 0.1235 0.7983 0.7552 2.8869 0.1235 2.2801 0.5183 0.1235 0.1235 0.1235 0.1235 0.1235 0.1235 0.1235 0.5419 2.9775 0.7623 0.1235 0.7400 0.5519 0.7296 0.1235 3.0034 0.5271 1.1124 0.4303 0.7323 0.3483 1.5253 9.2626 8.3855 3.9970 0.5136 0.1235 0.1235 2.5118 0.9273 15.9883 0.1235 cholate 0.1653 0.1653 0.1653 0.2645 4.4209 0.2370 0.1653 0.1653 0.1653 0.1653 0.1653 0.2142 0.1653 0.1653 0.1653 0.1653 0.1653 0.1653 0.1653 0.2072 8.0744 8.0228 0.1653 0.1653 3.7829 0.1653 0.3561 0.1653 0.1653 0.1653 0.2499 0.6796 6.1158 2.3401 2.1784 0.4249 0.4969 0.5632 1.1346 2.2918 8.2572 4.9598 3.8333 12.6119 0.3251 0.6340 5.5560 1.5465 0.9029 0.5259 0.7911 1.0505 3.6060 10.4306 0.5209 3.5779 0.3945 0.8692 0.3743 0.3817 0.9495 1.5308 3.2438 0.3364 4.5776 2.2319 0.4770 0.7861 2.6326 1.2202 cholic acid glucuronide 0.2116 0.2116 0.2116 0.2116 0.2116 0.2591 1.9255 6.7665 0.2116 0.2116 0.6570 1.6248 0.5369 1.0623 0.2116 0.7344 0.2116 1.7374 0.3333 0.6993 0.2116 0.2116 0.2116 0.2116 2.8389 0.2116 1.0000 0.8310 12.8321 2.3088 0.9374 1.9857 1.2151 0.2116 0.4726 0.2116 0.5675 0.2116 0.2116 0.2116 4.1202 0.2116 0.6948 0.2116 0.7524 2.4061 1.3592 0.2116 0.2116 0.3313 0.2116 0.2116 1.8276 3.7538 0.5334 0.8361 0.2545 1.1367 0.2116 0.2116 0.5510 2.0818 1.2932 0.3776 3.0712 6.8695 0.3216 0.2116 0.2116 0.2116 choline 0.9855 1.0077 0.6147 0.8963 0.7683 0.7692 0.8590 1.1571 0.4879 0.8680 0.7843 0.8515 1.1567 1.7461 0.4657 0.7035 0.6620 1.5026 1.0123 0.8691 0.6752 0.6789 1.3678 1.1713 1.1568 1.1439 0.8744 0.8676 0.7855 0.7402 0.5486 0.8199 0.3534 0.4594 1.1721 0.4930 1.2917 1.3853 1.2198 1.4442 0.8609 1.3429 0.9672 1.4388 1.1674 1.1979 1.3850 1.3531 1.0518 1.0907 1.2427 1.3493 1.1407 0.9923 1.4513 2.1862 0.9013 0.7393 0.6804 0.7080 1.3037 1.1476 1.1289 0.8003 0.9227 1.1099 0.8139 1.0802 1.6422 1.2052 cinnamoylglycine 0.3146 0.9717 0.0495 0.0597 1.7333 2.4273 0.5317 1.8304 0.0199 0.0679 1.0890 1.5284 0.7663 1.1079 0.6554 0.6856 0.2912 0.2282 1.0825 1.0767 0.1435 0.3064 1.1649 0.8925 1.5606 0.8057 0.6400 0.8913 1.4814 2.2825 1.6544 1.4531 1.0469 1.7409 1.4305 1.4086 1.0258 0.9573 1.8477 1.8174 2.6185 1.7609 1.3595 2.2894 1.6327 0.7509 0.5770 0.4460 1.4526 1.7571 0.7234 0.6060 0.7378 1.4456 0.0831 0.0924 0.2909 1.0403 0.6404 1.5721 1.1969 0.6291 1.4635 1.8061 1.3533 0.9742 0.5328 0.5207 0.1246 0.3140 cis-aconitate 0.9747 3.2980 0.9038 0.8733 1.0061 0.2499 0.5246 2.2898 0.4586 1.5682 0.5371 0.7930 0.7455 1.6853 0.8460 0.9331 0.6949 2.0801 1.2367 0.8928 0.5779 1.0000 1.7850 1.5302 0.9415 1.5076 0.5251 1.7587 1.4251 1.4007 0.5211 0.6029 0.4692 1.9596 1.4056 0.8000 0.9743 2.3015 2.0714 2.7325 0.9028 2.2335 0.3739 3.3560 1.0996 0.9838 1.3463 1.9304 2.2164 0.4908 0.9980 1.0460 0.7663 0.6439 0.2717 2.1777 0.4551 0.2499 0.8137 0.7047 1.2035 1.0091 0.8067 1.1726 2.1677 2.2464 0.9194 4.9254 5.4573 3.2482 cis-urocanate 2.0204 2.0685 0.6682 1.1023 0.7506 0.4990 1.8764 1.6678 0.4474 0.4705 1.0477 0.9523 1.4746 3.7149 7.7067 6.3009 1.6548 1.7737 1.1394 0.9189 0.2243 0.6291 6.0532 1.8254 1.1651 1.1530 0.3491 0.8601 0.4585 0.2994 0.2893 0.3210 0.3500 0.7578 0.7253 0.2951 0.4357 0.3160 0.9439 1.7196 0.1782 0.8422 0.7448 2.2612 0.3987 0.6047 1.2441 1.3439 0.5081 1.9060 1.2719 0.6034 3.7040 2.5901 1.4217 3.2424 0.6156 0.3140 0.3906 0.5297 1.6618 1.5108 1.4719 0.8489 0.6325 2.8411 2.7547 3.2384 19.0582 12.2457 citraconate/glutaconate 0.5309 0.7658 0.4962 0.5946 6.8426 0.8247 3.1135 0.4591 0.2019 1.4934 0.5899 2.2912 12.8602 0.8070 1.3325 0.6881 0.3898 1.0557 0.6970 0.7781 1.4268 2.0844 1.6220 1.1784 0.9600 0.9417 0.8418 1.0442 3.0226 0.8272 1.0051 0.8308 0.4725 0.9476 4.7053 1.1890 1.6576 1.4192 0.4649 0.7777 0.8196 1.5730 2.4596 1.6803 1.0980 0.9140 0.8289 1.4046 2.7178 1.1049 1.4883 1.6179 0.8741 0.6710 0.9061 1.3769 0.3205 1.3057 0.9949 0.7365 0.6070 1.3269 0.7982 0.4532 2.5368 1.2918 5.3776 7.1069 1.1930 0.6739 citramalate 0.9856 1.2761 0.5981 0.4528 2.0085 0.7354 1.8495 0.6816 0.3370 1.2706 0.7399 1.7171 1.5808 1.3952 0.6995 0.2584 2.6976 2.0459 0.6179 0.2968 0.6853 1.4723 2.6215 0.5580 0.7593 1.0469 0.9512 1.0031 2.4073 0.6438 1.3971 0.6944 1.0703 1.1184 1.6410 0.3660 2.0569 1.0767 0.6578 0.8206 1.3940 0.9201 1.0997 4.2497 1.5164 0.5463 0.8533 0.9969 2.9519 1.2274 1.3768 1.2842 0.3561 0.4152 0.5405 0.5321 0.8435 0.8783 0.6867 0.3378 1.1159 1.7077 0.8827 0.2987 2.4683 1.3727 1.4762 2.2787 2.5718 0.7703 citrate 0.3112 0.9033 0.6316 0.3898 1.1916 1.5376 0.4887 1.8850 0.1479 0.7556 0.3389 0.6577 0.5840 1.0391 0.2818 0.5054 0.2217 1.1299 0.7989 0.8837 0.6499 1.4695 0.4337 1.3061 0.8315 1.4629 0.9011 1.5835 1.1961 1.6147 0.4758 0.8501 0.5150 1.3588 1.2827 1.1266 1.1708 1.4105 1.5348 2.3732 0.7306 1.3459 0.5498 2.3762 0.8749 1.3373 1.3037 1.2861 0.3409 0.4421 1.0047 1.7466 0.5433 0.9160 0.5459 1.2277 0.7464 1.3757 0.5843 0.9953 1.2773 1.6058 1.4462 2.0000 0.9613 1.2506 0.4916 1.1947 1.3036 2.0650 citrulline 2.0383 1.6456 0.7095 0.6003 0.7061 0.6813 0.9725 2.0931 0.5139 0.6434 0.5359 0.5682 0.4216 2.1922 0.4432 0.7175 3.1441 6.4666 1.3045 0.6097 0.7231 0.7472 2.2808 1.1710 0.5742 2.7270 1.0078 1.8409 0.7152 0.4315 0.2961 0.3646 0.4487 1.6449 0.6358 0.4092 1.1628 1.2482 1.0874 1.1873 1.0911 1.6974 1.1615 1.2893 0.7089 1.3478 1.3233 1.1377 0.6628 1.0171 1.2758 1.3928 0.7302 1.0969 0.9872 1.1216 1.2474 1.2645 0.9922 0.7137 0.9125 0.7385 0.6594 0.8297 0.7752 1.2171 1.2155 0.9557 2.0681 1.2466 cortisol 0.1296 0.1296 0.5957 0.1296 0.4159 0.1296 0.5659 1.1146 0.5101 0.9700 1.1699 0.1296 0.9885 0.4550 0.1296 3.4072 0.1296 2.2434 0.7577 0.1296 0.1296 1.0349 0.1296 1.5838 0.7599 0.1296 0.1296 0.1296 6.2833 0.3866 0.1296 0.8191 0.5049 0.1296 0.1296 0.4207 2.2447 2.2779 1.0157 0.1296 2.9313 0.4350 0.1425 0.1296 0.2868 0.6794 2.2588 0.1296 0.9613 0.1296 1.6795 0.6933 2.2614 1.1135 1.1291 1.4479 0.1296 0.2669 1.8441 1.1393 1.7735 0.1296 0.4672 1.0115 0.1296 2.2944 0.3779 0.9490 4.7674 5.1698 cortisol 21-glucuronide 0.5644 1.1661 1.5110 1.0686 1.0722 0.6360 0.6566 2.6084 0.7585 1.2383 2.1224 0.7239 1.8290 3.2750 0.2560 1.0841 0.4199 2.7802 0.6176 0.5155 0.4167 0.6198 0.9394 1.1447 0.8368 0.3188 0.9782 0.5214 0.8136 0.5696 1.0905 1.4680 0.5518 0.2944 0.6536 0.9688 3.3892 3.5635 1.1130 1.3960 2.1649 0.8552 0.6913 0.7736 1.0218 1.3679 1.6845 1.3118 2.2843 0.8268 1.1113 1.3705 0.5814 0.7336 0.6799 1.9472 0.3007 1.0425 1.0343 1.7176 0.9371 0.2000 0.9637 3.5184 0.5279 2.6903 0.4268 1.9290 3.5422 3.0454 cortisone 1.7088 2.7087 0.6126 1.1206 0.6524 0.4009 0.8028 1.4981 0.2780 0.7802 1.0592 0.2337 1.1110 1.5604 0.4383 1.4093 1.5778 4.0769 1.8289 0.6086 0.4491 1.4629 3.0659 2.1014 0.9408 1.3499 0.4889 0.8689 0.7591 0.7484 0.3241 0.6272 0.6251 0.7236 0.2411 0.6262 1.2473 2.0232 1.3773 2.5420 1.5557 1.6895 1.5905 2.3245 0.3405 0.4707 1.8522 0.3324 2.5506 0.3383 0.7899 0.5130 1.1087 0.5519 1.0889 2.3393 0.4092 0.7080 0.9095 0.7477 2.3814 0.1211 0.5475 1.6247 1.1200 5.1240 0.7200 1.5466 4.4386 4.2245 creatine 9.3830 0.9955 0.8408 0.5692 0.3261 0.4430 5.0810 2.1299 1.5000 1.0286 0.6878 2.3047 1.1892 1.5352 0.7184 0.5460 20.7199 10.4519 0.3847 0.2198 0.6764 0.5691 1.0045 0.7577 0.5869 1.1978 1.0550 1.0590 1.3220 0.5311 5.0333 6.5990 0.5804 0.8107 2.7026 0.5948 3.0916 1.1333 0.6002 0.9512 2.1555 27.7214 0.7171 1.4402 0.8645 2.9273 3.2766 2.3079 34.5563 1.0724 0.6335 0.7916 0.7699 0.4156 0.4598 1.1969 1.4402 0.9558 0.2183 0.4064 1.3083 1.9501 1.7114 0.8724 2.1443 0.9529 0.7229 0.6617 1.5257 0.7821 creatinine 1.1110 1.7416 0.7612 0.8299 0.7305 0.7221 0.7278 1.3515 0.5651 1.0439 0.8885 0.8467 0.6267 1.3779 0.7270 0.8732 1.0033 2.0458 0.8651 0.6826 0.7526 0.9483 1.5750 1.0649 0.8200 1.2844 0.9050 1.3731 0.9310 0.9476 0.6835 0.8697 0.6777 1.3993 1.1861 0.7986 1.1536 1.4047 1.1965 2.2465 0.8737 1.7458 0.8576 2.1563 0.7834 0.8702 1.8892 1.5882 1.7353 0.9967 0.9509 1.1384 1.1419 1.0392 0.9653 2.0438 0.9328 1.2218 0.8367 0.9270 1.4006 1.2163 0.9763 1.0774 1.5777 1.6511 0.7946 1.4140 3.5551 1.9430 cryptochlorogenic acid 0.2040 0.2040 0.2040 0.2040 0.2040 0.7114 0.2040 0.2040 0.2040 1.2879 1.9629 0.2040 1.0374 0.6024 0.2040 0.2890 0.2040 0.2040 0.2040 0.5380 0.3307 0.9242 0.3408 0.7807 0.2040 0.2040 0.5421 0.2040 0.3662 0.8610 0.2040 0.2040 0.2040 0.2040 0.2040 0.5227 0.2040 2.3188 0.7169 2.3584 0.2040 1.5652 0.2040 1.8545 1.7611 2.1307 1.0044 1.8132 0.7771 1.0854 0.5225 3.7401 0.2966 0.7893 0.2040 2.3219 0.5962 2.1460 0.2040 1.7509 0.4824 2.9392 0.2040 0.9956 0.2040 1.2334 1.0400 0.2040 2.1846 1.5682 cyclo(gly-pro) 0.3206 0.3206 0.8843 0.6448 9.9999 0.3537 0.7549 1.0046 0.4157 0.5675 0.9338 0.9725 1.8420 0.5272 1.0266 1.4113 0.3206 0.4138 0.3699 0.4757 1.1254 0.5115 1.2703 0.6527 0.7799 0.3206 3.4454 0.3339 1.2797 0.9535 1.0675 0.6880 4.1574 0.3206 1.6139 0.5565 2.5676 1.1325 0.7895 0.6793 0.8405 1.2333 1.4240 1.2535 0.8858 0.8724 2.8326 0.9900 1.3565 1.2692 0.7811 1.1067 2.6929 0.7479 1.4521 1.2826 1.2767 0.9954 4.5538 0.7487 2.2909 0.8706 1.2248 0.8669 1.6250 1.3200 1.5664 2.4868 1.5403 0.8284 cyclo(pro-sulfo-tyr)* 0.6372 0.6477 1.0689 1.0812 2.7843 0.7749 1.3338 1.2555 0.8362 0.9010 1.6040 2.0719 1.6508 0.4080 0.7130 0.6571 0.3502 0.7091 0.6061 0.5844 1.3417 0.7887 1.6699 0.7784 0.9675 0.2989 1.0325 0.5825 1.8212 1.1546 0.6270 0.6950 2.3098 0.4811 4.1119 0.9638 5.4169 0.9284 0.6048 0.7056 1.6529 0.7492 2.9799 0.8526 1.5178 0.9003 1.7741 0.9327 2.2015 1.3206 1.1691 1.1975 0.7989 0.6685 0.9635 1.0526 1.1813 1.4245 0.8630 0.7903 1.1055 1.0831 2.0740 2.0177 1.3858 0.9487 1.3262 8.6548 1.4938 0.8428 cystathionine 3.5812 1.7743 0.6826 2.5359 0.6175 0.1217 0.5389 1.2662 0.2493 0.1096 2.7969 0.6081 0.4618 1.9425 2.2006 0.8677 1.7683 3.3890 77.4254 9.3397 0.5673 0.3226 3.4762 2.2507 0.1413 0.9276 1.0000 1.8083 0.1096 2.5116 0.4569 1.6341 5.6208 7.2377 0.1096 0.4023 0.2883 1.1900 0.4614 0.1096 4.7830 6.1006 0.3512 1.7078 0.9525 0.7856 3.9294 2.2903 0.1096 0.1096 1.2999 1.1413 0.1096 0.5911 1.2737 0.3587 0.5614 0.3292 0.4528 0.3818 3.7760 1.1641 0.3484 0.6278 0.6348 0.3167 0.4251 0.1096 15.9302 5.9772 cysteine 0.8174 1.7139 1.3269 1.1842 0.6460 0.7664 0.9641 1.4544 0.5930 1.2502 0.9940 1.0998 0.6695 0.9409 0.5366 0.7693 0.6830 1.5912 0.8794 0.5760 0.8062 0.9001 1.5821 1.0090 0.8214 0.8387 0.9525 0.9300 1.2851 0.9194 0.6135 0.6473 0.4903 0.8181 0.9972 0.8101 1.3192 1.8058 1.0396 1.0944 1.3606 1.4520 1.4574 1.3818 1.0626 1.0650 0.9839 1.2333 1.4251 1.0311 0.7899 0.8401 0.8549 0.6568 2.1155 1.6816 1.0028 1.1704 0.7230 0.6924 1.3965 1.2038 1.3300 1.3263 1.6885 2.1147 0.8752 1.3577 1.8010 0.9904 cysteine s-sulfate 0.5080 2.9488 1.1340 0.6725 0.9187 1.1087 1.0711 1.5499 0.6119 1.0532 0.6233 0.8896 0.8490 0.9072 0.4837 0.5077 0.2951 0.4505 0.4261 0.5500 0.8270 0.4612 0.4560 0.6876 1.7989 0.5061 0.8451 0.7635 0.7471 0.6770 1.1676 1.4639 1.6717 0.5740 1.5083 1.2537 1.3460 1.1624 0.8772 0.6536 1.2585 1.1632 0.9468 0.8227 1.2798 1.3691 1.0697 1.0422 0.8260 1.1461 1.1884 1.0360 1.7555 1.2298 1.2698 0.8987 1.5460 2.0358 0.7592 1.0715 1.6400 1.3212 1.4390 1.5274 0.9640 1.4913 0.8801 1.0911 0.6383 0.4664 cysteine-glutathione disulfide 0.6539 0.5064 3.2861 4.6361 0.7698 1.5816 2.1211 3.9161 0.7896 2.7289 2.8786 0.9091 0.5435 0.1332 0.1735 1.3077 0.9576 3.2966 0.8203 0.1332 1.8532 1.9732 0.5696 1.1635 3.1649 0.1332 0.4532 0.1332 0.3827 0.1798 0.1332 0.1332 0.7822 0.1332 1.2334 1.0000 0.1332 1.2363 0.1332 0.1332 0.1332 0.1332 0.8764 0.1332 1.3637 0.1332 0.1332 0.1332 0.1332 1.3864 0.1332 0.1332 0.2886 0.1332 0.1332 0.1332 0.1332 1.0319 0.1332 0.1332 1.7937 0.1332 0.4330 0.5656 0.1332 0.1332 0.1332 0.1332 0.1332 0.1332 cysteinylglycine 0.8233 1.0367 1.0236 1.0242 0.8111 1.0529 0.7604 1.1892 0.6928 1.7127 0.9200 0.8924 0.9202 0.9682 0.4366 0.8323 0.2353 0.8782 0.9687 0.9021 0.8833 0.6021 1.3960 1.1351 0.8515 0.4719 0.9750 0.9665 1.3917 1.0066 0.6674 0.7434 0.5487 0.4393 1.1357 0.7200 0.9948 1.6733 1.0052 1.1626 2.3006 1.7304 0.6823 1.1856 1.4956 1.3943 1.3175 1.7048 1.2663 0.8788 1.3559 1.2647 0.9649 1.0551 3.0659 1.9899 0.5471 0.8299 0.7899 0.4460 1.8053 1.8744 0.9913 1.0335 2.4253 3.5726 0.8861 1.6113 1.3383 1.3746 cysteinylglycine disulfide* 0.8305 1.6888 1.0085 0.9915 0.9760 1.1314 0.5313 1.5031 0.3510 1.4854 0.7498 0.8503 0.6335 1.3809 0.5524 0.8423 0.4989 1.4815 1.0642 0.6484 0.6178 1.2088 1.7161 1.2634 0.8573 0.5544 0.5801 1.0881 0.7678 0.7072 0.4251 0.5826 0.3553 0.9789 1.1016 0.6676 1.3213 2.1690 0.6536 0.6176 1.3880 0.8441 0.9188 1.2392 1.7469 1.4351 1.2914 1.1624 1.2594 1.3810 1.0156 0.9549 0.9144 0.6922 0.6995 1.2733 1.1135 1.5639 0.4681 0.7196 1.3224 1.5465 1.3250 1.2812 1.7053 2.3030 0.6646 1.3502 2.2789 0.9511 cystine 1.2575 1.5227 1.9814 1.3431 0.9918 0.7483 1.0651 1.8978 0.2588 1.0575 0.9630 1.6113 0.5240 1.0698 0.7388 0.7959 1.7799 3.8815 0.4457 0.5395 0.4790 0.5575 1.0020 1.0214 0.9468 1.0538 0.6428 1.1356 1.3533 1.2136 0.6496 0.6671 0.3990 0.5878 1.8398 0.5826 1.2321 1.7224 0.8700 0.9491 0.9251 1.4542 0.9980 1.2784 0.7672 1.0353 0.8061 1.4472 0.6153 0.8612 0.6674 0.8078 0.5873 0.9170 1.0598 1.1332 2.9845 3.8365 0.5103 0.6514 1.3453 1.6460 1.0881 0.9061 1.1190 1.2779 0.8090 1.4033 1.1440 0.9184 cytidine 1.0125 1.1755 0.6239 0.8011 1.2149 0.4374 0.7363 0.7904 0.4065 0.7468 0.2782 0.2550 0.8229 2.0202 1.2992 2.0535 1.2722 3.2475 0.3783 1.7310 0.3099 0.4977 1.4057 0.5432 0.6466 4.7279 0.5099 1.4744 0.8453 2.3757 1.8725 0.5866 2.7392 4.2102 0.2113 0.3137 0.4958 0.6897 1.9943 1.6325 0.7665 1.8159 0.7366 2.5633 0.5224 0.3809 1.2786 1.0319 1.6186 0.9580 1.0730 1.1166 0.9875 2.1242 0.7503 1.2881 0.6386 0.9352 2.8973 4.7409 1.1974 0.7065 0.6254 0.4189 1.3081 1.5907 0.4285 2.6471 3.6555 2.1386 cytosine 2.2628 0.5341 0.5161 0.6445 2.2653 1.0000 0.2901 0.8493 2.2580 0.5869 0.2901 0.6223 1.1275 0.9981 0.9778 0.7683 1.8251 0.2901 1.4769 1.0871 0.3087 0.2901 2.5049 0.4527 0.2901 1.2310 1.9232 0.2901 0.9645 1.6788 0.3138 0.6495 0.5688 1.5342 0.4006 0.2901 1.4424 1.1835 0.7995 2.1871 2.0129 2.1065 0.5020 1.5275 0.5821 0.4769 1.8641 1.3393 1.7402 1.1382 2.5350 0.5566 0.5871 0.5700 1.3514 2.2920 0.5399 0.6429 0.2901 0.5761 1.8405 2.0237 0.6788 0.7525 1.9098 1.5543 0.6798 0.9319 4.8596 1.9700 daidzein 0.0385 1.3014 0.0385 0.0385 0.0385 1.0017 0.2487 0.0385 0.9983 25.6599 0.0801 0.5593 0.2472 0.4949 0.0385 1.8974 0.0385 2.2688 0.0385 0.6131 0.0385 6.1784 0.0385 0.0385 0.0385 0.1405 0.0385 1.6692 0.5179 0.0385 0.0385 1.2547 0.0385 2.8404 0.3862 9.1703 0.0385 0.0385 0.0385 3.4774 0.2049 0.0385 0.0385 10.4403 0.6929 0.1197 1.8808 24.8070 1.4996 0.6716 0.3701 0.1808 0.0385 0.0385 0.3725 0.2980 1.4492 16.6410 0.0385 3.4410 0.0385 0.1025 0.1717 5.0036 0.0385 0.0385 1.7769 0.0385 0.0385 3.9367 daidzein 7-O-glucuronide 0.0249 10.5230 0.2033 0.0249 0.3085 4.2428 0.8230 0.3425 1.9508 84.1317 1.0825 1.3148 0.7657 1.2185 0.4223 41.1662 0.0822 27.2356 0.0331 14.8255 0.0400 68.4416 0.0249 0.9764 0.1683 4.3119 0.0463 22.7446 0.7356 0.4073 0.0249 20.6505 0.3367 30.5919 0.6225 30.9778 0.0289 0.2871 0.7614 24.6310 1.0000 0.0805 0.1352 18.2941 2.1762 0.6978 3.8722 32.6281 4.3116 1.9830 0.4709 0.5015 0.5323 0.1072 4.2623 4.3114 1.4039 43.8143 0.2898 14.6843 0.1328 0.1568 0.3264 16.6699 0.0249 0.4459 1.4561 1.2317 0.0249 56.6759 daidzein sulfate (1) 0.0342 1.7050 0.0342 0.0342 0.0628 2.9404 0.0406 0.0342 0.2481 15.7345 0.0491 0.4661 0.0342 0.6352 0.1027 13.0756 0.0342 1.8187 0.0342 4.8162 0.0342 5.2358 0.0342 0.0342 0.0342 1.3712 0.0342 1.8516 0.3961 0.0342 0.0342 9.1510 0.0546 7.0414 0.0342 4.7929 0.0342 0.0342 0.2249 9.6275 0.3027 0.0342 0.0342 25.6362 0.3107 0.1090 2.0374 11.5571 0.4961 0.8217 0.4294 0.1755 0.1791 0.0342 1.2741 1.1783 0.4986 17.0327 0.0811 5.8439 0.0342 0.0342 0.2088 18.0113 0.0342 0.0342 3.1597 0.3549 0.0342 21.6665 daidzein sulfate (2) 0.1042 16.0251 0.3702 0.1042 0.8418 5.7509 0.9168 0.2006 1.0780 84.5084 0.1042 0.7318 0.6454 0.6983 0.4979 135.8531 0.1042 15.0377 0.2466 70.1443 0.1042 19.4955 0.1042 0.5343 0.1042 6.7428 0.1042 25.3992 0.1876 0.1791 0.1452 79.9906 0.6407 70.3753 0.8465 54.1338 0.7220 0.2501 0.6960 26.7962 1.0000 0.1042 0.8725 62.6386 0.5503 0.1468 7.8310 55.9017 2.8359 2.2121 0.2233 0.2725 0.2515 0.1042 9.3247 3.3623 0.9052 25.9985 1.0195 91.8576 0.5244 0.1042 0.5254 37.4600 0.1042 0.1042 1.5878 1.7881 0.1042 130.9818 decanoylcarnitine (C10) 0.6707 1.9804 2.8663 1.8279 0.4765 1.6596 0.6234 2.7973 0.9220 1.8426 1.2027 2.3719 0.4270 1.2808 0.8756 0.9175 0.4046 1.0000 0.8698 0.4702 0.4723 0.9756 2.7506 2.4474 2.1731 1.2040 0.6404 0.7721 1.5639 0.7363 0.2061 0.3617 0.5454 0.8786 2.0788 0.7890 1.5039 1.8216 0.2061 0.7585 3.6326 0.9830 2.3422 0.4417 0.2061 3.6784 0.2061 0.5815 1.0532 1.5013 0.4517 0.7250 0.2061 0.2061 0.4694 0.5927 1.1758 5.0565 0.6155 0.4340 0.5371 2.2393 1.1595 1.9420 0.2061 2.3728 1.3142 1.4284 1.2859 0.2061 dehydroascorbate 0.5193 1.8677 1.0024 1.6687 0.0711 0.0711 0.2390 0.9976 0.2874 1.1757 0.9052 1.6020 0.6565 1.7602 0.7544 0.8189 0.5418 2.5226 0.9582 0.2009 0.5350 0.4220 1.6587 1.2384 1.2233 0.3658 0.8207 0.0711 1.2173 0.0711 0.2948 0.6634 0.4430 0.2828 1.7098 0.8617 1.1680 0.8363 0.2674 1.6008 0.3920 1.2501 0.5899 2.0755 1.1100 3.2741 2.0596 0.9609 1.3251 0.5736 1.7234 0.4398 0.8093 0.6139 2.4866 6.8977 0.2880 1.1940 1.1545 0.0711 1.8532 3.3668 0.6191 1.1622 6.4864 3.9643 4.4880 5.7822 2.1295 0.6975 dehydroepiandrosterone glucuronide 0.2008 0.5308 1.3824 0.9754 0.6509 0.6490 0.4958 1.8212 0.3455 0.7904 3.1739 1.8974 0.5350 1.0485 0.7055 1.3079 0.2008 0.7898 0.8085 0.6512 0.6834 0.8287 0.5064 0.6350 0.9232 0.3163 0.8300 0.6823 1.1147 1.2007 0.7262 1.0163 0.3549 0.2008 1.3373 1.3368 2.2361 2.0593 1.3355 1.9101 2.5222 1.9198 1.5928 2.0690 0.9201 1.5682 1.1476 1.5222 0.8894 0.7099 0.5403 1.0105 0.7437 0.7239 0.9895 2.5554 0.6033 1.5497 1.3054 1.4352 0.9389 0.6372 1.1401 1.9600 0.7468 1.3573 1.1541 2.3297 3.3412 3.0571 dehydroepiandrosterone sulfate (DHEA-S) 0.5212 0.6230 0.7090 1.3563 0.8333 2.6315 0.1646 0.6403 0.4687 0.7867 0.3784 2.4029 0.4027 1.2743 1.3282 10.5709 1.4158 2.7478 2.3801 5.2570 0.1121 0.2097 0.7526 0.9451 0.2227 0.3748 1.8504 3.7587 0.2987 1.0819 5.3113 13.1363 5.4773 12.3792 0.1923 1.0405 0.2105 0.6035 0.8245 2.2246 0.8540 1.5266 20.1757 33.2336 0.2285 0.2566 9.2147 3.9530 8.6532 16.7976 0.9595 3.1795 0.4773 1.6149 4.4210 2.9670 0.2761 0.5023 1.7433 5.5159 1.3727 2.1927 0.2010 0.7468 0.2514 0.5389 0.3846 0.3922 0.6574 4.6562 delta-CEHC 0.7527 0.3140 0.4209 0.0716 3.9335 1.1716 0.3091 1.6684 0.0716 0.2685 0.0716 0.0716 0.3455 0.0716 0.6814 0.8614 1.4559 0.8883 0.3999 1.5956 0.0716 0.2409 0.0716 1.0161 1.1782 2.1143 0.5790 2.1213 2.0204 1.7004 1.7746 2.3938 0.4359 0.9148 0.3051 0.9700 0.6484 0.4884 1.8900 2.9612 0.3369 1.1700 0.1377 1.4430 0.3021 0.4295 0.6781 0.6073 0.0716 0.1821 1.7704 3.0209 1.8090 7.1578 0.5997 1.4928 0.5264 1.0000 1.7246 4.3461 0.9016 0.4467 0.0716 1.2717 2.7689 1.1920 2.3025 3.5229 0.0716 1.7603 delta-CEHC glucuronide 0.7517 1.0430 1.1128 0.7529 1.9016 1.1543 0.5384 2.3792 0.3865 1.2633 4.3432 1.2563 0.6968 0.3272 1.2537 1.0190 0.3934 0.4326 0.1631 0.4061 0.5744 0.9177 0.3442 0.3335 1.1803 0.3684 1.7022 0.5719 3.8296 0.7219 1.2576 1.1096 0.8669 0.6315 2.4283 1.6052 0.7187 0.4921 0.1631 0.4016 1.5520 0.4993 1.6252 1.2215 0.9129 0.3616 0.5102 0.7940 0.5336 1.9399 1.1443 0.9474 1.6689 1.5596 0.9365 1.1865 1.0000 1.0904 0.5782 1.0330 2.2274 0.6646 0.7261 1.0051 5.9453 2.6880 3.2773 1.9958 1.1110 0.7576 delta-CEHC sulfate 0.4277 1.1326 1.3754 0.9972 1.9560 1.3908 1.5379 8.5338 0.3941 1.5762 2.0209 0.8706 0.3147 0.1265 0.8572 0.8362 0.3982 0.1265 0.3909 0.5595 0.3678 0.6794 0.3226 0.3106 1.5603 0.3830 2.1633 1.2110 3.2713 0.7452 1.3408 1.6640 1.2290 0.6624 3.5064 2.3023 0.9105 1.0000 0.6596 1.1881 1.3258 1.0434 3.7936 2.6003 0.8013 0.4349 0.2713 0.4578 0.3714 1.1194 0.6206 0.7353 2.4005 2.3331 1.5752 1.1426 0.9310 0.9549 0.9427 1.8180 1.9098 0.9312 1.3187 2.5892 3.2563 1.6402 1.1176 0.9416 0.3841 0.4802 deoxycarnitine 7.9396 2.5431 5.4795 0.8915 1.2511 0.3444 0.1543 0.4933 0.7926 0.2919 0.2626 0.4575 0.4216 0.6078 1.0593 0.4308 4.1457 1.6720 6.9125 0.6894 0.2145 0.3559 5.9058 1.6242 0.8277 2.2041 0.8726 1.7087 1.2243 0.3362 1.1579 0.6053 0.6708 0.9061 0.7939 0.1936 0.3758 0.5523 1.3791 0.8899 0.3975 0.8675 2.5936 1.5137 1.9384 5.3088 9.5262 1.5962 2.0808 0.4596 3.5476 1.0115 1.1317 3.2183 0.3977 1.2101 0.9885 0.6745 2.2582 0.7890 5.1966 1.4049 1.5572 0.3695 2.6160 5.4733 0.8184 0.6818 19.3051 2.3580 diacetylspermidine* 0.7484 1.4552 1.7525 1.2740 0.8266 0.9220 0.6585 1.5348 0.9837 1.6064 0.7549 1.1383 0.6761 0.9961 0.4686 0.7989 0.1559 0.7946 0.5269 0.5812 0.5124 0.6542 0.6358 0.7997 0.8720 0.5523 0.7721 0.6413 1.0610 1.1510 0.6521 0.8581 0.4351 0.2819 1.2855 0.8480 2.0897 2.0157 1.3316 1.1525 1.5436 2.4289 1.4335 1.2217 1.0039 1.0533 0.9629 1.3050 1.0846 1.3022 0.8104 1.1045 0.8074 0.6269 1.8044 1.7529 0.7458 1.1516 0.8055 1.2621 1.0624 1.4156 1.5643 1.9087 1.2038 1.6273 0.7992 1.4749 1.3034 0.7596 diglycerol 0.1781 0.1781 0.1781 0.3438 1.6846 0.1781 0.1781 0.1781 0.4378 0.1781 1.1195 0.1781 0.1781 0.1781 0.4705 0.1781 0.1781 0.1781 0.1781 0.1781 0.1781 0.1781 0.1781 0.1781 1.4984 0.1781 0.1781 0.1781 0.5369 0.1781 0.1781 0.6650 0.7842 0.1781 8.3895 0.1781 0.4016 0.1781 0.1781 0.1781 0.1781 0.1781 0.1781 0.1781 0.4770 0.4066 0.1781 0.1781 0.1781 1.0481 0.1781 0.1781 3.4357 0.6470 1.9966 1.2370 0.1781 1.1553 0.1781 1.0000 0.1781 0.1781 0.1781 0.9342 1.3916 1.8511 0.1781 1.1416 0.1781 0.1781 dihydrobiopterin 0.2674 0.6288 0.5967 0.9707 1.0004 0.8384 1.2968 2.3206 0.6372 1.1213 1.4136 0.7494 0.8679 0.6917 0.6796 1.1309 0.1933 0.2792 0.5639 0.4121 0.8789 0.5128 0.6499 1.0345 1.0720 0.2600 1.2094 0.7390 1.1426 0.9906 0.8276 1.0178 0.7007 0.4870 0.9996 0.4792 2.3778 1.7956 1.2382 0.6684 1.6262 0.3139 0.8083 0.5517 1.4683 1.6959 0.3615 0.6093 0.1933 0.5117 1.1538 2.8114 1.1057 1.0966 1.8638 1.0060 1.2562 4.2889 1.2565 2.8387 1.1423 1.6245 1.6593 2.0482 0.3976 1.0272 1.0576 1.5520 0.1933 0.4140 dihydrocaffeate sulfate (2) 0.2232 0.9158 0.4697 1.3362 0.4647 0.6078 1.4333 0.9797 1.2097 2.5178 0.7153 0.3968 0.4345 0.4089 0.4766 0.6213 0.3383 2.3050 2.8490 0.8692 0.7660 1.2255 1.0548 0.8971 0.1404 0.2425 0.4708 1.2592 0.5235 0.7622 0.4273 0.5593 0.3716 0.4553 1.8219 1.2919 3.7102 2.5044 2.3230 2.6214 1.9181 1.4713 1.6606 2.2300 1.0203 2.5384 1.0415 1.0334 0.4601 1.9805 0.7729 3.1695 0.7854 0.3138 1.3969 1.0509 0.5644 1.6370 0.2569 1.3020 2.4530 1.9621 3.5245 2.6597 0.5773 1.2316 0.1777 0.1929 0.6630 1.0312 dihydroferulate 0.4306 0.6701 0.2425 0.9763 1.5419 0.6067 0.1383 0.0176 0.0808 2.0653 0.0176 0.0176 1.0620 0.4991 2.0884 2.7482 1.0528 2.5774 6.3989 6.2831 0.1097 0.8383 0.5729 5.9470 0.3337 0.4905 0.5927 1.4366 0.0928 1.0071 0.9476 1.7715 0.1958 1.8716 0.2560 0.7142 1.5674 2.6405 10.2145 2.7420 0.3945 1.1635 0.0176 0.8819 0.1297 1.3761 1.0000 0.6178 0.2561 0.3443 0.8701 8.3251 0.5827 1.3606 1.8413 1.6800 0.2456 1.3865 0.1436 1.7943 7.5309 4.1272 0.3706 1.3800 3.2069 1.7898 0.1841 1.3823 0.3728 1.6160 dihydroferulic acid sulfate 0.1156 0.6234 0.4839 3.6870 0.6897 0.7425 3.5598 1.5646 0.6882 5.5740 0.4637 0.4860 0.3994 0.3153 0.7189 1.0834 0.2839 1.0503 4.8876 2.0420 0.7251 0.9497 0.5512 2.4379 0.4231 0.1265 2.1762 0.8890 0.3357 0.5024 0.9341 1.3348 0.7687 1.1128 1.3543 1.4606 1.5581 3.9049 3.9820 1.5714 1.5498 2.3748 1.3384 1.2438 0.3691 1.9368 0.4552 0.8159 0.2394 1.8330 0.5292 3.8877 0.7185 0.7153 1.9655 1.6450 0.3833 1.8218 0.0932 0.7222 10.0383 6.3058 3.6640 5.5791 4.1471 1.7858 0.2419 1.0765 0.6317 0.3685 dihydroorotate 0.3023 0.6840 1.2479 0.9480 0.8866 0.9249 0.6792 1.3556 0.3952 1.1131 0.7254 1.1777 0.8602 0.4415 0.5312 0.7559 0.3023 0.3023 0.7734 0.9055 1.1126 1.4247 1.2622 1.2611 0.7501 0.3023 0.5377 0.5393 0.9266 0.6701 0.3023 0.8007 0.6345 0.8744 1.4851 0.7469 1.0508 2.0998 2.0197 1.3357 2.0466 1.9558 1.0168 1.7555 0.4624 1.1178 1.0894 2.0158 0.3023 0.9832 1.0515 1.5624 0.6343 0.8438 1.0337 1.4408 0.7359 1.1675 0.3023 0.3023 1.2869 1.6099 1.1992 0.8141 2.8963 1.6650 0.8023 0.3023 1.5063 0.9449 dimethyl sulfone 0.1859 0.1859 0.6322 0.9125 0.9981 0.9356 1.0000 155.8946 0.8447 1.6415 0.5661 0.7146 1.3747 1.1617 1.4866 2.0299 0.3979 1.1984 0.6146 0.7907 0.5299 1.4296 0.2898 1.0380 0.7552 0.9673 0.3396 0.6905 0.7747 1.2711 0.7418 1.2214 1.0606 1.2150 1.2360 1.2693 0.3132 0.9272 4.2225 5.6390 0.6073 3.6583 0.1859 2.0875 1.4205 1.7869 19.6043 0.4370 0.5504 0.1859 0.1859 2.1914 0.1859 0.9034 0.1859 3.8037 0.1859 0.1859 1.1434 1.4102 0.8445 0.3391 2.7956 0.7846 1.9008 0.8304 1.0138 0.9872 0.1859 1.9012 dimethylarginine 0.4054 1.1993 2.1372 2.0165 2.3272 1.9954 1.2386 1.5185 0.4384 1.1752 1.6267 1.7661 0.5528 0.7670 0.4579 0.6504 0.2823 0.7782 0.3310 0.5970 0.9193 0.5101 0.8356 0.8588 2.3917 0.4537 0.8341 0.9901 1.1041 0.8270 0.6344 1.0318 0.3834 0.4128 1.1496 0.6949 1.4977 1.4561 0.4649 0.5165 1.6890 1.5357 1.2026 1.3113 1.3242 1.5131 0.9015 1.5593 0.7915 1.1541 0.7467 0.4392 1.0096 0.5404 1.3400 1.1168 1.0610 0.9765 0.7780 0.8835 1.4072 1.3023 1.3049 1.3029 0.9904 1.5544 1.2625 0.9807 1.3905 0.4234 dimethylarginine (ADMA + SDMA) 0.8016 1.5324 0.7859 0.8411 0.7369 0.7390 0.7238 1.3386 0.5106 1.0045 0.8112 0.7728 0.6052 1.1458 0.6639 0.8146 0.5864 1.4761 0.8007 0.6170 0.6631 0.8239 1.2459 1.1173 0.7700 0.8359 0.7762 1.0869 0.9360 0.8748 0.5718 0.8186 0.5080 0.8659 0.9867 0.7113 1.2607 1.4456 1.1789 1.3487 1.1293 1.6786 1.0083 1.6764 1.0358 1.1283 1.4120 1.6788 1.2556 1.0119 0.8822 1.2219 0.9955 0.9138 1.0303 1.8554 0.9624 1.2048 0.8396 0.9026 1.3129 1.2966 1.0180 1.1516 1.4236 1.5650 0.8524 1.3017 2.2508 1.3382 dimethylglycine 1.1576 1.3391 0.5401 0.6055 0.7010 0.9965 1.0091 1.9006 0.2199 0.3308 0.2010 0.4614 0.9544 1.4584 0.5085 0.4034 1.4005 4.2875 0.4924 0.5054 0.8461 1.0190 0.5093 0.7747 1.7922 1.9255 0.7940 1.2792 0.8061 0.9189 0.4545 0.9376 0.5949 1.0761 1.1281 1.0885 0.1513 0.2294 1.0035 1.0337 1.3675 1.6104 0.8753 1.9447 1.1954 1.8376 0.9861 0.8098 0.4245 0.1439 1.3003 2.1079 1.1943 1.8197 2.0507 1.4040 1.4142 1.9258 1.2489 1.2542 0.6121 0.7650 1.5408 1.5528 0.4039 0.2848 0.8991 0.6256 1.1066 1.2236 dimethylmalonic acid 0.6747 0.1938 0.1938 0.3468 1.6964 0.6156 0.4434 0.3152 1.0000 0.7614 1.2037 0.7449 1.6459 0.1938 0.6586 0.4024 0.1938 0.1938 0.4254 1.2644 2.2260 0.6940 5.7390 0.5038 2.0981 7.1265 0.5651 3.9626 0.7347 0.5490 0.7252 0.6914 1.1965 0.1938 0.7731 1.5895 2.3251 2.0615 0.8426 0.8728 1.5634 1.3410 1.0544 1.0007 1.0296 0.7613 1.4238 2.3227 1.3668 1.3448 1.0911 0.8813 2.1907 1.2360 0.7858 0.8052 1.5650 1.2055 0.4474 0.8411 2.1399 1.5037 0.9453 1.1466 1.3940 0.9557 0.7485 0.6542 1.0381 0.8059 dopamine 1.2168 1.7048 1.0239 0.8816 0.2895 0.6223 0.7980 1.7233 0.5362 1.1227 1.0601 1.0532 0.8016 0.3395 1.0000 0.8230 0.2895 2.5613 0.5174 0.2895 0.5708 1.1308 1.2553 0.3318 1.0428 0.2895 0.7643 0.5076 0.8002 0.2895 0.2895 1.1140 0.5692 1.7196 1.3133 0.9198 1.1335 1.1815 0.2895 0.2895 1.1121 0.9167 1.1341 1.4110 0.5957 0.6061 0.3140 0.5951 0.8355 0.8230 1.3887 0.6134 0.9414 0.2895 1.1658 1.6578 0.8496 0.7189 0.9207 0.2895 1.6481 1.4560 1.5767 1.3448 1.4360 1.9317 0.7396 0.2895 1.9825 0.2895 dopamine 3-O-sulfate 0.8273 1.1665 1.2696 0.7372 5.0203 0.6696 0.6208 1.6374 0.7038 1.0411 0.6564 0.5547 0.6711 1.2235 1.8293 0.5908 0.6236 1.4285 1.0049 0.3893 5.6696 1.0613 0.8674 0.3691 0.9862 1.0417 0.8738 0.9216 0.8764 0.4676 0.7133 1.5612 0.9631 0.9061 1.5858 0.4029 1.1966 1.6430 3.0042 1.3227 1.0326 1.3196 0.5152 1.0021 0.7276 0.5671 1.5291 1.5736 0.9325 0.7335 0.9914 1.2929 1.1105 1.3543 1.0114 2.2653 0.7815 0.5812 0.9317 0.7227 1.1024 0.9979 1.2408 1.0641 2.2545 1.0900 0.7402 0.7915 3.2486 1.6655 dopamine 4-sulfate 0.7263 0.8792 0.9889 0.7889 3.6899 0.6740 0.6132 1.1538 0.6958 1.7263 0.5012 0.4192 0.8944 0.8288 1.7291 0.7890 0.0858 0.9182 0.8479 0.4119 7.4240 1.9520 0.6050 0.2913 0.7714 0.3163 2.1901 0.5046 1.0773 0.2686 0.7331 1.6736 1.4236 0.6778 2.3466 0.6243 1.3952 1.5491 4.6036 1.1291 1.0111 1.3704 0.5790 1.1273 0.0946 0.4500 1.4449 1.9756 0.9267 0.6846 1.1965 1.3642 1.5614 1.2486 0.5212 2.0780 1.0631 0.5658 1.0616 0.8658 1.0359 1.0717 1.1652 1.0692 2.5070 1.1267 0.5030 0.5277 4.4315 1.2960 ectoine 0.5412 0.7141 1.0182 0.3132 0.2396 0.8504 1.2294 0.2471 0.8721 1.7492 1.5515 0.4016 0.3791 1.0030 0.4654 1.8914 0.3611 0.8924 1.0043 1.5314 1.5768 0.2080 2.0375 0.7256 0.2290 1.0642 1.1846 2.0693 1.2740 1.1774 1.8574 0.7507 0.3171 1.6718 0.4050 0.9970 1.5167 0.7528 1.3870 1.3843 0.4270 0.4843 0.5711 1.0543 0.6853 0.3748 3.4959 1.2759 1.9578 0.4766 0.9514 0.5841 2.9069 1.2579 2.4002 2.6490 2.4849 1.0897 0.7204 0.5332 1.0981 0.4487 0.2370 0.2876 3.5997 0.6336 2.9307 0.9798 2.6815 1.4902 enterolactone 0.2635 0.2635 1.2135 0.2635 0.2635 0.3146 1.0729 0.7999 0.2635 0.2635 0.4303 1.8148 11.6537 0.9935 0.2635 0.2635 0.2635 0.2635 8.0629 0.2635 0.2635 0.3399 1.1621 0.2635 0.3608 0.2635 0.2635 0.2635 5.7445 0.2635 0.2635 0.3295 2.2238 0.2635 1.0552 0.5724 1.0672 1.1715 0.2635 0.2635 1.6114 0.2635 0.2635 0.7031 5.1477 0.7143 0.2635 0.6588 0.2635 0.7474 1.0290 0.2635 0.4768 0.2635 0.9805 0.2635 2.8909 0.8975 0.2635 0.2635 0.7760 1.3767 3.8713 0.5630 2.9973 0.8447 1.0065 0.2635 0.2635 0.2635 epiandrosterone glucuronide 0.2499 0.6781 1.0026 0.9268 0.8229 0.5274 0.5933 1.9915 0.2226 0.6650 4.6928 2.2265 0.6468 1.1775 0.9143 3.0370 0.2339 0.9373 0.9227 0.5584 0.8450 0.9859 1.3552 1.5897 1.4142 0.4999 0.7783 0.9874 1.5279 1.1927 0.6387 1.5009 0.3231 0.3062 1.3273 1.4259 1.5746 1.5277 1.3927 1.6150 3.3688 1.8098 1.5176 1.7924 0.8021 1.2149 0.6275 0.7949 1.0499 1.1766 0.6888 0.9974 0.7658 0.7903 2.1890 2.7431 0.8833 2.5037 0.9720 1.6308 1.3459 0.7676 0.8323 2.1070 0.5644 1.3713 0.7896 2.0811 2.0621 2.0942 epiandrosterone sulfate 0.4831 0.5557 0.9820 1.3649 0.8091 1.0840 0.3422 0.7863 0.2654 0.4128 1.0180 5.8801 0.6150 1.6122 2.5324 9.0419 0.4109 1.2425 2.2673 2.8196 0.3919 0.6215 0.4861 0.7811 0.2456 0.2426 0.9081 1.7748 0.7532 1.5321 1.4334 2.3063 1.4255 1.8113 0.2720 0.8145 0.2617 0.5840 0.6982 1.0744 1.5349 2.2201 5.2274 9.1086 0.9697 1.3036 3.2267 2.4585 1.5030 2.6136 0.7435 1.8414 0.6114 1.5361 1.7941 1.6406 0.4236 0.7136 0.9013 0.9788 0.8420 1.3563 0.5609 0.9333 1.2363 1.3994 0.2830 0.1596 1.0252 3.0101 equol glucuronide 0.0633 250.4938 0.0844 0.0633 0.1486 0.0633 0.0633 0.0633 0.7088 0.0633 0.3565 0.0633 0.0633 0.0633 11.8715 86.9653 0.0633 0.0633 0.0730 0.0633 1.3966 324.8103 0.0633 0.0633 0.5136 191.1730 0.2057 0.0633 0.5081 5.9860 0.0888 0.0633 0.0633 19.1438 0.0633 0.0633 0.2254 0.0633 41.0111 372.6095 1.7377 0.0633 1.2397 0.0633 1.0000 0.0633 0.0633 0.0633 0.4969 36.0884 1.0859 0.0633 2.5953 0.6367 0.9308 0.0633 0.3110 0.5889 0.0633 0.0633 1.5515 0.4656 0.2676 0.0633 2.0186 0.5056 191.4851 109.8683 0.0633 0.0633 equol sulfate 0.0125 5.3030 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 0.2840 4.3903 0.0125 0.0125 0.0125 0.0125 0.0125 4.5640 0.0125 0.0125 0.0125 10.1647 0.0125 0.0125 0.0125 0.1263 0.0125 0.0125 0.0125 0.5121 0.0125 0.0125 0.0125 0.0125 4.2566 44.5603 0.5675 0.0125 0.8121 0.0125 0.0125 0.0125 0.0125 0.0125 0.0125 4.6120 0.0125 0.0125 0.2061 0.0125 0.4906 0.0125 0.1493 0.0125 0.0125 0.0125 0.3590 0.0125 0.0125 0.0125 1.1879 0.0125 21.5820 7.5903 0.0125 0.0125 erythritol 0.5009 0.7422 1.0004 0.7293 1.6080 0.8336 1.8687 1.3010 0.6881 1.8569 1.1144 2.6537 1.1769 0.8907 0.4990 0.7194 0.1866 0.5653 0.7646 0.6209 0.7711 0.9625 0.9682 1.0361 1.2504 0.5454 0.8557 1.0009 2.3266 1.6047 0.5957 0.7332 0.4703 0.3401 1.7917 0.7607 1.3378 1.2202 1.0733 0.9390 1.6850 1.0910 1.3675 1.1318 0.9996 0.9412 0.6703 1.1550 0.7896 1.3073 0.9938 1.0352 0.6732 0.8048 30.5068 1.1703 51.7642 1.5573 0.6060 0.6862 0.9649 1.1538 1.0043 1.1273 2.1939 1.5160 1.3264 1.9601 0.9465 0.6986 erythronate* 0.6956 1.4323 1.0626 1.0605 1.1699 0.9079 0.9444 1.1732 0.5156 1.1431 0.8021 1.4366 0.5928 1.1416 0.6825 0.7493 0.4065 1.0357 0.8376 0.6516 0.7324 0.8096 1.6653 1.1084 1.3060 0.8993 0.7389 1.1820 0.9951 0.9929 0.5180 0.6853 0.4940 0.6840 0.9048 0.5965 1.0657 1.2573 1.3183 1.9486 1.0538 1.5959 0.8161 1.8362 0.8681 0.8628 1.3217 1.4639 1.4641 1.0497 0.9408 1.1209 0.9660 0.8932 0.9890 1.6008 1.0623 1.0049 0.6300 0.6940 1.2056 1.1506 0.8598 0.7871 1.6331 1.6752 0.8239 1.5351 2.2577 1.2448 ethyl glucuronide 2.3108 0.0970 0.0970 0.0970 9.0752 0.0970 204.0705 1.9861 0.0970 0.0970 0.0970 0.0970 139.2979 0.0970 0.0970 0.0970 3.6109 0.5989 0.0970 0.0970 0.0970 0.0970 1.1527 0.0970 0.0970 0.0970 0.1072 0.0970 0.0970 0.0970 4.8879 0.3680 0.0970 0.0970 0.0970 0.4419 128.1339 0.8473 0.0970 0.0970 1.2849 0.0970 0.7109 0.6942 0.0970 0.0970 0.5700 0.0970 0.0970 0.0970 29.2408 0.3371 0.2043 0.0970 0.7263 0.0970 0.3884 0.0970 3.5912 0.7317 0.4528 0.1754 0.0970 0.0970 388.7278 1.4080 191.3477 896.0287 1.1875 0.1164 ethyl maltol sulfate 0.4858 0.6713 0.9584 0.5376 1.1606 1.0328 1.4350 0.7994 1.3070 1.7466 0.5613 0.7091 1.3278 0.7932 1.3109 0.9471 0.1918 0.9600 0.6950 0.8682 0.7881 1.1949 0.2674 0.8259 1.0171 0.5095 0.3822 0.5667 1.3139 1.0395 0.4905 0.6405 1.0195 1.1348 3.5565 1.3767 0.9443 1.2601 0.7275 3.4480 9.2566 9.2707 0.6059 1.5689 0.7723 0.6892 0.7508 1.7357 2.2084 2.7142 2.8251 2.1233 0.6003 0.5979 2.7375 1.3710 0.2936 0.5253 0.5030 1.6221 2.4909 0.8248 0.9829 1.8765 2.1380 0.8878 2.0871 7.1416 2.5013 1.9478 ethylmalonate 0.4131 1.1425 3.1728 2.5537 1.4765 0.9967 1.0278 1.1780 0.6858 1.6414 1.1983 1.0851 0.6575 0.9456 0.8024 1.0534 0.1989 0.6491 0.8023 0.7874 0.6307 0.7253 1.1787 1.2007 0.8497 0.7289 0.5505 0.6369 0.6950 0.5997 0.3832 0.6289 0.3656 0.4227 1.1965 0.7065 1.4742 1.7741 0.9206 1.2058 1.5005 2.1566 1.1548 2.0932 1.0193 1.3178 2.4710 3.0836 0.7236 0.8000 0.9602 1.2803 0.8328 0.7454 0.6057 1.0033 0.8268 1.2750 0.5087 0.7298 1.1751 1.3227 1.1400 1.1833 2.1538 1.6230 0.8564 1.6027 1.0592 0.6828 etiocholanolone glucuronide 0.4337 1.0666 0.9399 0.7031 0.6657 0.5118 0.4859 1.3734 0.3250 0.8209 2.5647 2.1001 0.5882 0.9991 1.2254 2.0549 0.3336 0.7918 0.9332 0.6827 0.7166 0.8520 1.1692 0.9318 0.8546 0.4185 0.8142 1.2305 1.0554 1.0009 0.5313 0.9154 0.5701 0.5674 1.3751 1.3722 1.4832 1.6253 1.0564 1.3211 2.0064 2.1652 1.7748 2.3514 0.9458 1.0582 1.8247 1.4873 1.1016 1.0023 0.4949 0.9651 0.9147 1.2063 2.0341 2.3814 0.7971 1.3419 0.6475 0.8017 1.0509 0.6671 0.6395 1.0146 1.0248 1.2829 0.5695 0.9223 1.7118 1.4522 eugenol sulfate 0.1506 0.1385 0.2811 6.7236 23.5518 0.6447 10.8592 6.4452 0.4136 3.8870 0.5284 1.4447 0.1740 0.4155 2.6920 2.1597 0.1323 0.9807 0.9985 1.1395 4.4684 0.6155 0.3721 0.5841 0.1180 0.1512 0.1313 0.2771 7.6778 0.7620 0.0693 1.4571 0.1063 2.9871 4.1994 4.8215 1.0945 6.6067 0.5878 0.9587 1.2033 1.9532 0.2401 27.6488 0.3557 0.6964 0.7315 1.9805 0.5460 1.3910 8.5707 2.9107 19.2796 0.8709 4.8410 3.1034 0.4836 2.7247 0.2509 0.7024 1.2316 2.9210 5.7073 1.4131 0.6865 0.5845 0.4023 1.0015 1.6472 1.5081 ferulate 0.1446 0.1446 0.1446 1.2115 1.3457 0.1446 0.5842 0.5511 0.5829 2.2455 0.4372 0.9847 3.6206 0.1446 0.9165 1.3057 1.1740 2.3541 1.0000 2.9768 0.4611 0.6580 0.1446 1.5137 0.6522 0.1446 0.6512 0.7583 0.6111 1.1627 0.7133 1.2599 0.9079 0.1446 5.7555 0.6675 0.8536 1.9411 6.9775 1.1227 1.9032 2.3422 1.2778 0.1446 0.1446 0.7176 0.5429 1.5368 0.6325 2.6723 0.5478 2.7873 0.3846 1.1494 0.8621 1.1058 1.1534 0.9088 0.1446 0.9329 3.9551 3.2982 0.7428 0.5447 11.5042 1.6570 0.4744 1.9680 0.1446 0.4064 ferulic acid 4-sulfate 0.3746 0.5411 0.1835 2.1969 1.2648 0.4331 1.2968 0.2727 0.4555 3.0093 0.1831 0.9952 2.7660 0.3169 1.2232 1.5128 0.3816 1.2504 2.2653 0.7123 1.5686 1.0523 0.3283 0.5651 0.4671 0.2962 1.3078 1.0048 0.6947 0.2963 0.2695 2.7977 1.6992 1.2149 21.9189 1.1538 0.8592 2.5825 2.3946 0.9452 5.5407 3.1985 1.7179 1.6145 0.1628 0.6808 0.3900 0.9171 0.3685 1.5241 0.5670 1.3342 1.0486 0.4497 2.6785 2.1939 0.3520 0.7055 0.0441 0.3319 7.3562 8.3735 1.8657 0.6228 10.3910 1.3033 0.5319 1.7292 0.5009 0.1973 ferulylglycine (1) 0.1067 0.7238 0.6382 4.1779 0.5545 0.4028 0.4049 0.1048 0.9532 7.7415 1.4399 1.9082 2.7584 0.8810 0.4805 0.8348 0.2983 1.8152 2.7877 1.4733 1.4723 1.5067 0.3702 1.6738 0.5718 0.1975 1.3216 0.7172 0.4437 0.5869 0.6577 1.1219 0.6645 1.4788 3.2951 1.2200 0.9500 3.9945 5.7293 2.7469 1.9494 3.8282 1.1340 1.3508 0.4062 2.0869 1.7487 3.1771 0.7705 2.8255 0.7159 3.5532 0.5257 0.4121 0.5216 0.6049 0.6176 2.3505 0.0642 0.2556 7.4206 4.6763 0.8313 1.0468 5.9085 2.6976 0.3369 0.9335 1.5172 0.9221 ferulylglycine (2) 0.3840 1.3046 0.6086 3.6584 0.3884 0.2573 0.3370 0.1255 1.2815 5.7593 1.0470 0.9117 1.3208 0.7185 0.4811 0.9462 0.6615 2.7315 2.6303 1.3687 0.8546 0.8915 0.4421 1.6295 0.9105 0.2515 0.9530 0.6444 0.3172 0.5269 0.6959 1.2189 1.3791 2.5269 1.7919 0.8431 2.0099 3.7560 9.9408 3.5929 1.2262 2.8925 0.6023 1.9551 0.6934 1.6951 1.3188 1.5221 0.4191 1.8734 0.5114 4.5994 0.8752 1.0653 0.1216 0.7363 0.3727 1.1362 0.0393 0.5681 12.7232 4.2015 0.5112 0.4734 4.7777 2.0233 0.1872 1.8119 3.2704 1.7922 fluconazole 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.1024 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 1.8976 2.2260 0.0001 0.0001 0.0001 0.0001 formiminoglutamate 2.9549 3.5612 0.5576 0.8338 0.4947 1.0009 1.2540 1.5744 0.9485 1.1828 1.0984 0.7985 0.7124 2.6732 1.4801 0.8587 1.1287 2.1457 0.9353 0.3518 0.3808 0.9504 2.2793 1.3872 0.9763 0.5750 1.2552 1.8710 0.2390 0.2084 0.5169 0.8994 0.9341 1.0238 0.5797 0.7295 1.7229 1.4406 0.4803 0.9708 1.8521 1.7100 0.8848 1.4607 0.8225 0.8184 1.5384 1.4394 2.3020 1.2048 0.9991 1.1955 2.7163 1.1665 0.9923 2.1391 0.9550 1.1836 0.8334 0.8467 0.9025 0.7766 1.0562 1.3011 1.8305 0.8375 0.9964 0.8507 2.5363 1.1991 fructose 0.7857 0.4481 1.2814 0.9489 2.4449 0.2221 1.4544 0.9484 0.5643 1.7782 0.8352 2.2532 4.7939 0.7949 0.6659 0.8978 0.2132 0.6037 0.5930 0.8336 0.9410 0.8191 0.7000 0.6434 1.4383 0.8041 0.6804 1.0000 0.7620 1.1417 0.7714 1.7795 0.3316 0.5225 2.8876 0.6908 1.6961 1.0000 1.9336 1.3794 1.5206 1.7947 0.9977 2.2582 0.5477 0.7431 1.8622 1.9228 0.9993 0.8927 1.2237 0.8817 1.1119 1.8250 1.9754 1.5288 1.3617 1.5008 0.6944 0.6483 2.5262 1.7904 1.0402 1.2662 10.0796 2.1759 0.6320 1.2242 1.6049 1.2656 fucitol 0.5585 0.8132 1.1999 0.8288 1.0195 0.7357 0.6519 1.2603 0.4603 1.1738 0.8013 1.2067 0.8737 0.7489 0.4689 0.8844 0.3731 0.8636 1.1262 0.7800 0.7626 1.7181 0.9759 1.0777 0.5875 0.4008 0.8836 0.8809 3.6290 1.1331 0.5999 0.8817 0.5611 0.6996 1.4074 0.9202 1.4422 1.3579 0.7241 1.1111 0.9768 1.3455 1.1476 1.5383 0.7546 0.9550 1.2317 1.2881 1.1129 1.2500 0.9805 1.1302 0.7761 1.0370 1.1708 1.6363 0.7308 1.2466 0.9273 1.1421 0.9745 1.4651 0.7796 1.2911 1.5090 1.2930 1.0195 2.4521 1.6169 1.2731 fucose 1.7593 2.0633 0.6844 0.7893 0.2430 0.7753 0.5105 0.8300 0.4952 1.1934 0.8076 0.8349 0.6502 0.9026 0.4050 0.6198 1.8553 3.5789 0.9976 0.6543 1.0415 0.6407 1.9044 1.3498 0.9211 1.4386 0.7065 1.2445 1.1466 0.8592 0.7552 1.0826 0.4194 1.4974 1.0024 0.7840 0.2430 0.2430 0.6324 2.4188 0.2430 1.9555 0.2430 3.8916 0.6746 0.2430 2.7229 2.1484 0.2430 0.2430 1.3011 1.5601 0.2430 0.8902 0.2430 2.3750 0.2430 0.2430 0.2430 0.6319 0.2430 0.2430 0.2430 0.2430 1.5873 0.2430 0.2430 2.7792 5.3700 5.3282 fumarate 0.1645 0.7427 1.8356 1.0139 2.4317 4.5928 0.7117 2.0106 0.4785 1.8794 0.4295 3.6756 0.7556 0.9754 0.2123 0.3388 0.1645 0.5263 0.7563 1.0250 0.6627 0.7222 0.6128 1.4149 1.4785 0.7161 0.4270 0.6238 0.9578 0.8986 0.2054 0.3790 0.2764 0.5960 0.9293 0.8358 2.1187 3.2745 1.8021 2.7910 2.0555 1.3943 0.5895 2.8595 1.0000 1.9954 0.7126 1.4345 1.2724 0.5671 1.9568 2.5606 0.4997 0.9684 0.4523 1.2194 0.5652 1.3945 0.5968 0.7002 1.0141 2.1593 2.0726 4.6430 2.3324 1.5982 2.5113 4.7297 1.6177 2.0372 furaneol sulfate 0.5049 0.1564 0.6056 0.9304 0.8220 1.4295 0.4767 1.1957 0.3350 0.8238 0.7773 2.4982 1.9268 0.2867 0.9169 1.1306 0.2228 0.2985 0.6535 0.1102 3.9098 1.4517 1.0057 0.7034 0.5184 0.0279 0.7876 0.4413 1.8918 0.5385 0.0713 1.2261 1.0314 0.3159 6.4475 1.1590 1.9336 1.5258 0.1851 0.2848 1.2968 1.5944 1.0775 0.4389 5.3547 5.6311 0.9943 1.5643 1.4640 1.4461 2.5839 1.1741 0.7507 0.6406 2.3855 1.4211 1.2046 1.5670 0.5296 0.4250 1.1760 1.3402 1.4568 1.3840 1.4837 0.6932 1.2568 0.7044 0.6521 0.3497 galactonate 0.4003 0.8067 0.1821 0.9465 23.7174 0.8782 9.5548 0.3994 0.3007 1.0544 0.1821 21.4950 3.0428 0.8621 0.3786 0.9813 0.2333 0.4879 0.3837 1.1879 1.6272 2.2640 0.8834 1.6483 7.9010 0.6978 2.8079 0.6648 0.4451 1.7573 0.3285 0.4136 0.7466 0.4359 1.9568 1.6439 0.1821 0.8189 0.7907 0.8965 0.8509 1.3422 1.7508 0.8951 1.0547 1.0187 1.6289 4.3063 3.2058 0.7644 0.9577 0.8019 2.2479 5.3711 0.3682 1.3252 0.7715 1.4370 0.8623 1.1874 24.1369 22.9888 8.1590 0.8725 3.3607 0.9353 5.0817 2.2790 5.4859 1.3311 galactosylglycerol 0.6191 0.5374 0.5218 1.3926 0.2200 1.2031 4.3241 1.4196 0.3639 2.1255 0.5886 4.2206 0.6397 1.3482 0.4662 1.7500 0.2316 1.0153 0.8052 0.8700 0.8655 0.5350 0.4901 0.7031 1.0000 0.3152 0.5805 1.0041 0.3732 0.7522 0.3447 0.9225 1.0663 0.7326 1.4231 1.0876 0.3809 3.4920 1.0885 1.3984 0.9317 2.6754 0.5732 1.9343 0.5329 0.8993 1.8068 1.4923 0.2200 1.5514 1.2132 1.3473 0.3886 1.0940 0.8987 1.8199 0.5508 1.1269 0.9645 1.2719 1.2907 2.0141 1.2677 0.8983 1.5237 1.6416 0.4487 0.3625 1.8818 1.2948 gamma-carboxyglutamate 0.9977 1.4634 1.1036 1.0152 0.8389 1.2203 0.9704 2.1221 0.3234 1.4151 0.7412 0.7894 0.3446 1.6522 0.6391 0.9095 0.7468 1.7559 0.8544 0.5907 0.4540 1.2293 1.3306 1.3509 0.5876 0.9815 0.7409 1.3501 0.9811 1.1564 0.4638 0.7433 0.4586 0.9577 1.2331 0.6994 1.2593 1.3872 1.0160 1.0661 0.5807 1.5896 0.9297 1.4234 0.7633 0.8521 1.1469 1.5249 0.8490 1.1157 0.6984 1.0430 0.8447 0.8579 1.0170 1.7711 0.7940 1.5751 0.6399 0.6623 1.1340 1.0263 0.9174 1.1508 1.0023 1.4942 0.9222 1.4409 1.5026 1.3375 gamma-CEHC 0.1625 0.1625 0.4227 0.5694 12.7946 0.7099 0.1625 0.6663 0.4222 0.4241 1.2114 1.1963 0.6207 0.1625 0.6873 0.7630 2.2170 0.1625 0.1625 8.8528 0.1625 0.3986 0.1625 0.3624 0.6752 3.5543 1.1409 5.0110 3.2098 3.9507 8.2519 3.3394 0.4883 0.8347 2.6249 1.1327 1.3045 0.7214 2.9802 2.2020 0.6036 1.4083 1.5472 1.1745 0.6551 0.5435 0.5089 0.7368 0.1625 0.5677 0.9833 3.9924 0.9485 16.6134 0.2417 0.5363 0.5178 0.4275 1.8826 8.7835 1.3724 1.0000 0.6266 0.4171 5.0653 1.6991 2.8620 9.6710 0.1625 4.0145 gamma-CEHC glucuronide* 0.3384 0.7398 0.4884 0.7863 1.8972 0.9898 0.2335 1.3993 0.5663 1.3396 2.9223 1.1550 0.6729 0.4369 1.1665 1.5019 0.3026 0.4082 0.4241 0.5146 0.6934 1.2319 0.5042 0.3534 1.1560 0.2624 1.5315 1.1550 2.9512 0.7292 0.8769 1.2792 0.8932 0.7450 1.7790 1.2783 1.0561 0.8333 0.5087 0.8289 1.9151 1.1078 3.7810 1.7401 1.1797 0.5723 0.6129 0.8858 0.7613 2.4377 0.9054 1.1984 2.0053 2.0447 0.8646 1.0423 0.9326 0.8915 0.8865 1.3250 2.8465 0.9740 0.8139 1.1747 5.2868 4.1594 1.8960 1.8515 2.0346 1.0102 gamma-CEHC glycine* 0.2060 0.2606 0.6642 0.9422 2.9475 1.0738 0.2060 0.4935 0.3009 0.5377 2.6228 0.6621 0.2060 0.2060 0.4905 0.5781 0.2060 0.2060 0.3886 0.5308 1.0000 1.0708 0.2060 0.2060 1.4924 0.2060 1.5673 0.7347 1.6107 0.8033 0.6245 0.7599 0.8949 0.2263 1.7639 1.6484 0.6681 0.3132 1.1114 1.6978 3.4082 1.6624 5.8280 3.1477 2.4511 1.0057 0.4724 0.2060 0.3152 1.2952 0.6137 0.7360 2.4049 2.6275 1.5087 1.0829 0.5186 0.7857 1.1979 1.1135 2.3547 0.5894 0.9904 0.9305 6.8239 4.1658 0.8321 1.4434 1.2802 1.3123 gamma-CEHC sulfate 0.1983 0.4567 0.4888 1.0643 4.6829 2.2043 3.8764 16.3287 0.4606 1.2574 1.4665 0.6334 0.2526 0.1941 0.4188 0.8643 0.2987 0.5164 0.6165 0.7661 0.4992 0.8665 0.2496 0.2322 1.9314 0.4334 2.4061 1.7144 2.9654 0.6544 1.6985 2.1023 1.4028 1.0175 4.0583 2.7476 1.5255 0.8706 0.7726 1.4001 2.3296 1.0665 6.2171 2.4766 0.9472 0.3951 0.2484 0.3208 0.1819 1.3214 0.4819 0.6922 2.2177 2.3760 0.7581 0.3314 0.6292 0.7870 2.5968 3.3440 2.2817 0.9565 1.6188 1.7486 3.2303 2.0769 1.3928 1.6146 0.9825 0.6204 gamma-CEHC taurine* 0.1769 0.7023 1.4951 1.4383 1.5206 1.1232 0.2453 1.2846 1.0184 2.4644 3.6771 1.4471 0.6607 0.4918 1.1358 0.9574 0.1703 0.2074 0.4857 0.8056 0.1992 0.3206 0.6112 0.3962 1.6390 0.5296 1.9885 1.0432 1.9304 1.3189 0.7942 0.9816 0.5591 0.6282 1.3063 1.2430 2.3474 0.7650 0.8848 1.2688 0.8956 0.8538 2.2895 1.6881 1.6963 0.8719 0.2876 0.5884 0.7919 2.5680 1.1367 1.5911 0.6547 0.6341 1.0325 0.9161 0.8388 0.6978 1.3008 1.2645 2.6976 1.2016 0.8643 1.9297 6.8034 4.9146 0.8380 1.8390 1.9621 0.9362 gamma-glutamyl-epsilon-lysine 2.2548 1.4178 1.0224 1.3404 0.2510 0.2235 1.0209 0.8016 0.4661 0.3416 0.1470 0.1470 1.7429 4.0065 2.1975 1.2786 2.0385 3.1035 2.8264 0.7346 0.1470 0.1470 1.3680 1.1869 1.2076 3.3714 0.1470 1.1270 0.4082 0.1470 0.1809 0.5859 0.8432 0.6391 0.1470 0.1470 1.4120 2.5357 0.4481 0.1470 0.4066 0.1470 0.1550 0.1470 0.4215 0.2736 0.1470 0.1470 0.4468 0.2320 0.8677 1.0000 1.6350 0.8258 2.8152 0.6134 2.3298 0.7996 0.9857 0.4954 1.4000 0.9898 1.1419 0.1470 0.1470 0.1470 0.1470 0.1470 2.5896 1.0132 gamma-glutamylglutamine 0.2364 0.2364 1.2839 0.7751 4.5983 0.9184 0.7372 2.1643 0.3594 0.6290 0.5199 0.7133 0.2364 0.2364 0.2364 0.8042 0.2364 0.2364 0.5654 3.8582 0.5580 0.5891 0.6269 2.5073 1.1559 2.2997 0.4855 2.2396 1.3337 6.8108 1.6183 1.2263 0.5524 0.2364 0.8922 0.5910 1.0981 1.0238 8.2974 1.8158 0.8247 0.2364 0.2364 0.2364 0.8899 1.5526 0.2364 0.2364 0.2364 0.5618 0.9762 3.8313 0.2364 2.5349 0.8175 1.1950 0.5319 1.0808 1.0529 3.0304 0.7258 0.2364 0.2364 0.7763 0.2364 0.2364 0.2364 1.3584 0.2364 1.2813 gamma-glutamylglycine 0.3870 0.6387 1.2575 1.1173 1.2143 1.0000 1.2124 1.5384 0.4694 0.4262 0.3332 0.7746 1.7895 1.8323 0.8351 0.6856 1.2227 1.9034 1.1991 1.3361 0.3140 0.3495 0.9698 0.9040 1.2273 1.0567 0.6477 0.8001 1.2958 0.8648 0.6397 1.0014 1.0366 1.0417 0.6779 0.7058 1.1248 1.9396 1.0675 0.3707 0.5963 0.5202 0.5728 0.2170 0.6970 1.1683 0.3167 0.2170 0.2170 0.4740 0.8795 1.2494 1.0834 1.4828 2.1526 1.1491 0.9695 1.1550 1.3095 1.0047 1.2024 1.0695 1.0723 0.7751 0.4692 0.6537 0.2170 0.4310 1.5330 0.8765 gamma-glutamylhistidine 1.1858 0.1835 1.6254 1.3920 0.4537 0.1835 1.3509 2.5944 0.6380 0.7563 0.6092 0.3307 2.7185 0.1835 2.2225 0.1835 1.7291 2.2932 2.2359 0.8592 0.4295 0.1835 0.9228 1.0000 1.9608 2.0055 0.7434 1.0823 0.6776 0.3261 0.3281 1.1956 0.1835 0.9292 0.1835 0.4672 1.6343 2.3289 0.6539 0.1835 0.4651 0.1835 0.3328 0.1835 0.1835 0.1835 0.5163 0.2338 0.8730 0.2649 1.4169 1.0939 2.5872 1.2317 1.5220 0.8642 1.4302 1.8314 0.9033 0.6588 1.7976 1.0133 1.1672 0.5104 0.8986 0.6759 0.1835 0.1835 3.2085 1.1609 gamma-glutamylisoleucine* 1.4789 1.5615 0.7923 0.8322 0.6296 0.7387 1.3157 1.3037 0.3802 0.5756 0.7067 0.7671 0.4985 1.1349 1.2170 0.7115 0.8865 1.4749 1.0328 0.6705 0.6619 0.9929 1.5486 0.9252 1.1552 1.1062 0.6664 1.3087 1.0621 0.7837 0.5366 0.8198 0.9546 1.4176 1.0702 0.7745 1.1695 1.0071 0.9073 1.2947 1.4132 1.2577 0.8889 1.3194 0.8604 0.8671 0.8192 0.8377 1.5264 0.5671 1.0794 1.1470 1.1206 0.8644 0.8665 1.7958 1.1384 1.0258 0.9418 0.8041 1.2587 1.0706 1.0318 0.7516 1.6484 1.1843 0.5955 0.7739 2.9714 1.2977 gamma-glutamylleucine 0.8680 0.8607 1.2781 1.0294 0.8093 0.7404 2.6747 1.7045 0.8993 0.4395 0.2303 0.7186 2.3772 2.0912 1.5853 0.6206 1.1581 1.5739 1.8906 1.4640 0.2303 0.2664 0.8065 0.9225 1.5497 1.0912 0.9620 0.9934 1.0147 0.6542 0.6512 0.8846 1.4987 1.0436 0.5103 0.5863 1.1354 2.0254 0.4985 0.2303 0.2303 0.2303 0.2303 0.2303 0.6007 0.7211 0.2303 0.2303 0.2303 0.2759 1.0664 1.0869 1.0409 1.4458 1.9719 0.2303 2.0362 1.7144 1.4263 0.8790 0.9917 0.9744 1.0073 0.7566 0.2303 0.2303 0.2303 0.2303 1.0044 0.9956 gamma-glutamylphenylalanine 0.7827 0.8962 1.0664 0.9591 0.8992 0.8243 1.5642 1.6515 0.6128 0.5712 0.3348 0.7851 2.6420 2.7668 1.1634 0.7924 0.8317 1.5435 1.3506 1.3362 0.2419 0.3176 1.0000 0.8139 1.4142 1.2148 0.8565 1.1732 0.8892 0.7836 0.5391 0.8990 0.9551 1.0932 0.8304 0.7220 1.1601 2.4794 1.0841 0.1913 0.8643 0.2913 0.4378 0.2545 0.7031 1.1423 0.1913 0.6548 0.5262 0.5973 1.2684 1.5876 1.3470 1.4899 2.3357 1.3673 1.6362 1.8879 1.3318 1.0700 1.6461 1.3296 1.3591 0.8752 1.0506 0.8282 0.1913 0.1913 1.7625 1.2173 gamma-glutamylthreonine 1.0873 1.5134 1.1114 0.9213 0.5496 0.8335 1.0071 1.9860 0.7161 0.7409 0.4058 0.4773 1.2735 2.1492 1.0018 0.8272 1.0298 2.0891 1.5194 0.6426 0.4192 0.3244 1.1972 1.0673 1.4320 1.0766 0.8012 1.1700 1.2084 0.4232 0.4646 0.7564 0.9658 1.5227 1.0145 0.6778 1.5240 2.2004 0.6873 0.5737 0.8604 0.5107 0.5981 0.5971 0.6435 0.9340 0.7817 0.6991 1.1399 0.6053 1.4626 1.3375 0.8857 1.1148 1.6807 1.1810 1.4252 1.3992 1.3596 0.7011 1.9411 1.1230 1.2068 0.9782 0.9982 1.2251 0.3600 0.2760 1.6808 0.9730 gamma-glutamyltyrosine 0.2251 0.2251 1.2523 0.7725 1.0909 0.8504 2.8848 2.6720 0.7708 0.2251 0.2251 0.6330 3.7990 1.7249 1.4674 0.9145 0.2251 0.2251 0.8278 1.5700 0.2251 0.2251 0.2251 0.8001 2.9760 0.8122 0.7943 0.6666 0.8380 0.4415 0.5722 1.1028 1.2224 0.2251 0.5091 0.5991 0.7215 2.7458 0.5972 0.2251 0.7577 0.2251 0.2251 0.2251 0.2251 0.8010 0.2251 0.2251 0.2251 0.2251 1.6931 1.6464 1.2791 1.7817 3.6196 1.0000 2.3921 2.6483 1.6834 1.0044 1.6244 0.9791 1.5041 0.9250 0.8972 0.2251 0.2251 0.2251 1.3730 0.6038 gamma-glutamylvaline 1.4430 1.2417 0.8900 0.8967 0.4999 0.6779 1.1706 1.3385 0.6018 0.6470 0.9656 0.7773 0.7185 1.0749 0.9128 0.7440 1.0048 1.5553 1.0331 0.7958 0.5185 0.5812 1.0688 0.8952 1.0720 1.0336 0.9762 1.1095 0.9786 0.7651 0.6913 0.8518 0.7923 1.2652 0.8864 0.7718 1.4076 1.1197 0.6703 1.3014 1.3882 0.9952 0.8169 1.0424 0.8820 1.0787 0.6782 0.4734 1.4952 0.7325 1.0322 1.2044 1.2784 1.0585 1.3365 1.6390 1.4535 1.6860 0.9542 0.9878 1.3394 1.1023 1.1471 0.8783 1.3381 1.0128 0.5484 0.5939 2.7743 1.5697 genistein 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0810 0.0650 1.2605 14.5438 0.0650 0.0650 0.0650 0.0650 0.0650 0.8075 0.0650 0.7999 0.0650 0.0650 0.0650 2.7903 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.2299 0.0650 3.0155 0.0785 3.2639 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 1.0000 0.0650 0.0650 0.0650 5.3027 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 0.0650 1.5597 0.0650 0.1104 0.0650 0.0650 0.0650 0.6152 0.0650 0.0650 1.1497 0.2038 0.0650 2.4783 genistein glucuronide* 0.0092 1.1222 0.0092 0.0092 0.0092 0.3472 0.2036 0.0092 1.5754 33.6547 0.0092 0.0092 0.0092 0.0326 0.0092 11.1865 0.0092 7.7476 0.0092 0.6410 0.0206 22.3143 0.0092 0.0092 0.0092 1.6171 0.0092 0.7611 0.0092 0.0092 0.0092 2.0415 0.0351 14.9500 0.0938 7.5660 0.0092 0.0092 0.0092 0.2530 0.0092 0.0092 0.0459 1.0000 0.0092 0.0092 0.0092 5.8695 0.0092 0.0600 0.0092 0.0092 0.0092 0.0092 0.0092 0.0092 0.0092 6.1720 0.0092 0.2361 0.0092 0.0092 0.0803 2.5470 0.0092 0.0092 0.7449 1.1867 0.0092 24.1050 genistein sulfate* 0.0829 0.0829 0.0829 0.0829 0.0829 0.2666 0.0829 0.0829 0.2974 8.5646 0.0829 0.0829 0.0829 0.0829 0.0829 6.1172 0.0829 1.0754 0.0829 1.7125 0.0829 0.9246 0.0829 0.0829 0.0829 0.6091 0.0829 0.4534 0.0829 0.0829 0.0829 5.7723 0.0829 10.8812 0.0829 3.7513 0.0829 0.0829 0.0829 0.0829 0.0829 0.0829 0.3391 3.9728 0.0829 0.0829 0.1918 2.7991 0.0829 0.0829 0.0829 0.0829 0.0829 0.0829 0.0829 0.0829 0.0829 0.5955 0.0829 3.5702 0.0829 0.0829 0.2775 2.4702 0.0829 0.0829 0.6213 0.7386 0.0829 31.0852 gentisate 0.1584 0.6763 0.3409 0.4836 0.6929 1.1874 1.0981 1.4943 0.7238 1.7252 0.5834 1.1101 1.4979 1.0137 0.8026 1.4628 0.2898 0.4857 1.9006 0.4879 1.1183 0.9741 0.4905 1.5045 0.4659 0.0947 0.5028 1.2855 0.9787 1.0673 0.2814 0.6881 0.3779 0.6359 1.0503 1.6441 1.2113 1.1531 1.8139 1.6194 1.6803 1.6385 2.3506 2.1714 0.7212 1.4584 0.6619 1.3270 0.5116 1.5019 0.6801 1.1417 0.3283 0.8848 0.7199 1.6556 0.3902 1.5023 0.4141 1.0774 0.4618 0.7138 1.1205 1.9911 0.9462 1.4448 0.8666 1.9864 0.9863 1.0155 gentisic acid-5-glucoside 0.1667 0.8225 0.4089 0.3539 2.8665 0.2140 5.0595 0.2957 0.4620 1.0168 0.8056 1.3869 4.7905 0.7579 3.6601 0.8155 0.3360 0.1667 1.6087 0.3138 4.5060 1.2114 0.4752 0.5843 0.1667 0.1667 0.3489 1.7791 1.2929 0.5030 0.6168 2.0030 2.1155 0.1667 11.0027 0.4817 1.0000 1.4428 1.8552 0.7542 1.6442 2.6614 2.7359 6.7733 0.5106 0.3489 0.7998 1.2019 1.1670 0.7698 2.1381 0.4964 0.8166 0.7045 1.6124 2.4890 1.3078 0.5731 0.3245 0.3504 3.1724 0.9142 13.4148 0.5283 7.6345 0.5138 2.4977 1.6759 2.3418 0.1667 glucarate (saccharate) 0.0607 1.3102 13.4595 18.6790 2.9712 7.9612 3.6317 0.6302 0.0607 1.5408 1.1971 10.5931 0.2513 2.4210 0.9210 1.0000 0.0607 0.0607 0.3498 0.6545 0.4875 2.2322 1.6910 1.5139 2.6697 0.0607 0.3726 0.2682 0.5876 0.3183 0.1754 0.5003 0.4619 0.0607 0.8172 0.4951 1.6731 2.2452 0.9962 0.9622 0.3369 2.2441 0.3320 1.6142 0.4219 0.5769 1.9692 2.4428 1.2454 1.6748 0.7550 1.1780 0.6558 0.6467 0.7910 2.2585 0.4562 0.7185 0.5069 0.6022 1.3932 1.3112 0.7786 0.7234 1.8470 3.6590 1.4428 2.0222 2.4428 1.2687 glucoheptose 0.3444 0.5612 1.0301 0.6413 3.4967 1.3317 2.9083 0.9040 0.2159 1.2462 0.8961 2.2492 0.6751 0.7401 0.3907 0.7199 0.3208 0.6051 1.0018 0.7265 1.6154 1.1963 0.7229 0.8007 0.8149 0.2730 0.6789 0.6307 1.3289 0.7292 0.8411 0.8400 0.8066 0.3127 1.6730 0.5105 1.3558 1.7107 1.5624 0.9076 4.8985 1.4751 3.2150 0.9967 1.2600 0.9452 0.8978 1.5246 1.0969 1.0385 1.0695 1.0765 0.7544 0.6620 1.2760 1.1062 1.0544 0.9982 0.4146 0.6368 1.2360 1.4744 2.2903 1.8473 2.3746 1.5580 1.5708 1.2723 1.0332 0.8171 gluconate 0.2697 0.5223 2.6383 2.7166 3.2528 2.4493 1.5926 1.3642 0.3178 1.0363 1.4582 4.5588 0.7020 0.7496 0.4639 0.8645 0.1126 0.3620 0.4640 0.7453 1.2713 0.6992 0.7878 1.0490 3.1636 0.3727 0.8848 0.5744 0.7809 0.6685 0.5730 0.9505 0.8209 0.4800 1.4422 0.8404 1.1755 1.6469 1.0855 0.7798 1.1213 1.5897 1.0106 1.3644 1.2240 1.3217 1.0104 1.7053 0.6720 0.9896 1.0154 1.4867 0.8910 1.0191 1.0233 1.4911 0.9138 1.3036 0.6671 0.9132 1.2139 1.2934 1.1008 0.9313 1.0118 1.8221 0.5824 0.5413 0.9680 0.8044 glucose 0.5712 0.9496 1.0681 0.9216 0.8601 1.0011 0.9739 1.6743 0.6644 1.2300 0.8012 1.8406 0.9169 1.2847 0.6560 0.8580 0.4352 1.0617 0.6757 0.4921 0.7473 0.7291 1.0393 1.1223 0.9085 0.6173 0.9231 1.0248 0.7950 0.6362 0.5757 0.7813 0.5307 0.7746 0.8974 0.8332 1.2083 1.4828 1.3284 1.5937 0.9989 1.5815 0.8197 1.8528 0.9944 1.0015 1.6241 1.4830 1.1401 1.0132 1.1731 1.2258 0.8096 0.6937 1.0504 1.8414 0.9635 1.2642 0.9154 0.7619 1.4842 1.1145 1.0338 1.1095 1.1175 1.5048 0.6470 1.1450 1.9748 1.2057 glucuronate 0.7336 1.9635 1.4757 1.1949 2.7923 1.2561 1.1357 0.8813 0.4929 0.7404 0.8995 4.3056 0.8145 1.2848 0.6511 0.5841 0.8869 1.2565 0.6246 0.7763 0.6651 0.5491 1.3632 0.8197 1.2871 1.0816 0.5666 0.7960 0.7467 0.7813 1.1242 0.7119 0.4586 0.5422 1.0270 0.5492 1.1832 1.0345 1.0869 1.0099 0.8280 1.2964 0.6278 1.4676 1.4559 1.4054 1.5684 1.4855 1.9304 0.9489 0.9043 0.9901 0.9011 0.9277 6.7423 2.0274 0.8008 1.0967 0.6066 0.8498 1.2928 0.8644 0.9209 0.7438 1.7730 1.6470 1.0349 1.8909 2.1253 1.2077 glucuronide of C10H14O2 (1)* 0.7924 0.8371 3.3719 0.2076 0.5586 1.1987 0.0733 0.0733 2.5585 0.1815 0.6421 0.6305 3.0409 0.0733 4.0539 0.2873 3.4165 0.7813 2.5148 0.4099 4.9156 6.2427 1.5169 0.7423 2.0335 0.5325 6.5110 0.6401 12.0109 1.0000 1.5281 1.5296 1.3227 0.0733 0.9180 0.2186 0.6306 0.2857 0.4520 0.0733 2.7540 0.2876 1.4398 0.2711 0.8974 0.9271 0.2975 0.0733 0.8413 0.3228 7.2660 3.4847 8.8514 7.4934 1.9774 0.3239 4.4270 0.9431 1.8355 0.1484 12.6663 19.4027 0.4495 0.3990 16.8356 23.8777 17.0498 6.9049 5.0471 0.1091 glucuronide of C10H14O2 (2)* 0.2026 0.7713 0.3338 0.7321 1.6043 1.0529 0.8154 1.7230 0.4539 3.6347 4.4291 4.8098 1.7765 4.0459 0.1025 0.9643 0.4083 0.8009 0.5217 0.7663 0.6942 1.0627 1.1057 1.7274 0.1033 0.2246 0.3989 0.3279 0.9038 1.2442 0.1525 0.9864 0.1521 0.4814 0.8569 1.3240 0.4456 3.5087 0.4632 3.3136 0.2657 3.9588 2.7291 1.9409 1.0136 2.0754 0.8331 4.0311 1.4693 2.0962 0.5105 3.9090 0.4030 0.5438 0.6706 2.8251 1.1790 4.3114 0.1885 2.1615 0.4757 3.2806 1.9499 2.6523 2.4836 1.7775 0.5884 0.2947 1.3432 2.7291 glucuronide of C10H18O2 (1)* 0.5015 0.6214 2.0603 0.8642 23.9892 0.3355 1.3200 1.9375 1.1751 1.2390 16.8117 3.4771 3.3384 5.8787 0.1447 0.1336 2.6841 0.6150 0.8457 0.1336 0.7244 2.9918 2.6215 2.2885 0.7889 0.3843 5.1343 1.0078 12.2536 0.9065 0.2195 0.7154 0.3929 0.3813 0.8294 0.3393 1.2552 0.8846 0.7754 0.8956 0.7915 2.7183 1.4492 0.7212 0.8374 0.5374 1.1620 0.9922 0.4440 0.3938 0.6130 8.7340 0.5727 2.0234 15.3773 1.9027 0.9045 1.9503 0.3496 1.3785 16.3881 30.9174 8.2659 2.6916 13.7200 0.6417 3.0143 0.7020 35.8545 1.0118 glucuronide of C10H18O2 (10)* 0.4205 1.2787 1.0500 1.0000 0.0142 0.7816 0.3928 1.1694 1.0290 2.0251 1.9853 1.2874 1.3574 1.4706 0.6398 0.5876 0.2639 0.6422 2.0562 0.0142 0.8329 0.8975 1.7156 1.4035 0.9138 0.0142 0.5075 0.2886 0.9477 0.0142 0.0142 0.4795 0.4564 0.3464 1.8054 0.6191 1.4785 1.6886 0.0142 0.2433 0.9581 1.0180 1.1644 1.3047 0.9022 0.9279 0.4441 0.7578 3.8245 0.9751 0.6170 0.4372 1.0903 0.0142 1.4623 2.4565 0.7696 1.1737 0.9161 0.0340 1.7704 1.9657 2.9409 2.4164 1.0582 1.4317 1.6755 0.0142 3.7211 0.3157 glucuronide of C10H18O2 (11)* 0.3745 1.2883 2.0563 1.0031 0.1475 0.8941 0.4452 3.0644 0.9135 2.3446 3.6093 3.1338 1.5959 1.4648 1.1152 0.5187 0.4742 0.8060 1.5550 0.3004 0.5705 0.9360 1.2114 1.3518 1.0578 0.4869 2.6025 0.9696 1.6875 0.7142 0.0618 0.6420 0.3527 0.5214 3.8595 0.8498 0.7117 0.9969 0.3076 0.6903 0.7720 1.0561 1.0609 1.3625 0.7585 0.7501 0.5942 0.7737 0.5179 0.3875 0.7731 1.1364 1.9648 0.7595 2.0899 2.2879 2.1617 2.5560 1.1273 0.5965 1.7770 2.0794 1.5758 1.9192 1.5482 1.7320 1.2666 0.2605 1.1284 0.4240 glucuronide of C10H18O2 (12)* 0.5254 1.2889 1.4971 0.6903 0.2177 1.0067 0.4594 2.1872 0.6524 1.5011 2.6179 3.9014 1.3757 1.8232 0.7332 0.3605 0.4977 0.8229 1.3278 0.1900 0.8475 1.0152 1.7426 1.5967 1.2579 0.6197 1.9512 0.8961 1.3857 0.9108 0.1906 0.5330 0.3417 0.3646 2.7801 0.6516 0.7305 0.9087 0.3643 0.5704 1.0883 0.9792 1.0205 1.2404 1.3218 1.2235 0.6727 0.9933 0.4191 0.3411 0.9183 1.1060 1.3837 0.7436 1.4883 1.8244 3.2015 3.5091 0.8090 0.5269 1.4691 1.4649 1.4960 1.6999 1.6084 1.4491 1.3465 0.2665 0.8174 0.3475 glucuronide of C10H18O2 (2)* 0.4560 0.2505 0.2505 0.2505 1.3067 0.3026 2.3670 0.2505 0.8312 1.7063 1.3189 0.6893 0.6473 0.9689 0.9867 0.3608 0.2666 1.3645 2.5595 0.2619 1.4830 0.3919 1.0133 1.6290 0.2505 0.2505 0.2505 0.4785 3.3574 3.4234 0.2505 0.3059 0.2505 0.2505 2.4448 0.8722 0.6103 1.5591 0.2505 1.0682 0.2505 0.2505 0.8518 0.8933 0.2505 0.2582 0.2505 2.6183 0.2721 1.6043 0.2505 1.6799 0.3388 0.2505 0.2505 7.9745 0.7970 5.6349 1.4210 2.0336 0.2505 0.7802 1.9458 1.9065 2.7358 1.4853 0.2505 0.2505 0.6153 0.9651 glucuronide of C10H18O2 (3)* 0.6050 0.3555 0.5881 0.1070 1.3490 0.3258 1.6128 0.1070 0.6832 0.9021 3.2879 0.9573 0.5025 0.9290 1.1521 0.4900 0.6737 1.3312 1.1833 0.5564 2.1838 0.1070 1.0427 1.3949 0.1070 0.1070 0.2817 0.8191 3.9525 3.7303 0.1871 0.7403 0.3706 0.5168 2.6938 0.8818 0.7978 1.6577 0.2791 1.5302 0.1685 1.8800 1.1328 2.1767 0.3138 0.6852 1.0973 5.2485 1.4564 1.3269 0.4526 2.4983 0.7563 0.3771 0.3592 13.9778 1.6157 9.1805 1.4560 2.7648 0.5832 1.3423 2.8465 3.0033 5.0150 2.7482 0.2468 0.1826 0.7011 1.7025 glucuronide of C10H18O2 (4)* 0.6900 0.5031 0.8753 1.0808 0.5724 0.1135 1.7449 0.5499 0.6281 0.4438 3.9486 1.2266 1.2331 0.0602 1.0000 0.9212 0.8360 1.3876 1.0031 0.5031 3.0951 1.3518 1.9867 2.7468 0.3765 0.1934 0.5102 1.3229 8.7289 8.3099 0.0602 0.7432 0.3520 0.5942 5.9361 0.7439 0.4608 1.3986 0.0602 0.7903 0.0602 1.4363 1.3505 1.4276 0.1260 0.5361 2.3187 5.0932 5.0778 1.5471 0.6984 3.0128 1.1569 0.4932 0.3217 14.6268 2.1905 8.6626 4.1399 5.4468 0.7182 0.9087 0.2414 0.5396 3.1231 2.7878 0.4514 0.3364 0.9550 1.0161 glucuronide of C10H18O2 (5)* 1.2151 1.6352 0.3193 0.4721 2.2591 0.6814 2.3218 2.0873 0.8529 0.1869 9.6243 4.2839 2.9880 0.1869 0.8324 1.3872 1.4427 1.7888 1.1023 0.1869 0.5129 0.7703 1.2710 0.9078 0.2480 0.1869 1.1411 0.1869 1.3056 0.9437 0.5064 0.9193 0.2144 0.1869 1.5227 0.1869 1.6801 2.5528 0.5511 0.8265 1.1010 1.7953 0.6254 0.5431 0.5879 0.4555 3.0248 2.3259 3.7267 0.6832 1.2341 5.0172 0.3526 0.2408 1.4096 1.5786 0.7111 1.3040 0.8556 0.9927 0.7440 0.6641 0.4749 0.6374 1.2329 1.0073 1.1605 0.9685 1.4250 0.9771 glucuronide of C10H18O2 (6)* 1.0904 1.7269 0.2258 0.8444 2.0553 0.9213 1.4903 1.6659 0.4710 0.7690 11.6988 3.6679 2.0987 0.2258 0.5778 0.5404 1.1247 1.0553 0.4969 0.3831 0.8769 1.1366 1.4563 0.8156 0.2258 0.2388 0.2258 0.2705 0.2258 0.7893 0.2851 1.0807 0.2258 0.2360 1.6314 1.0000 0.6664 1.6488 0.6144 1.7115 1.0406 1.6420 0.3610 0.4525 0.8737 0.9423 2.6544 1.7562 2.3938 1.0758 0.8512 3.6009 0.4107 0.2258 1.8519 1.4600 0.8866 2.5276 0.6104 1.3712 0.2258 0.2258 0.2258 0.5312 0.2258 1.0222 0.7186 0.8031 0.2258 1.5237 glucuronide of C10H18O2 (7)* 0.5576 0.6190 1.7730 0.8539 4.9474 0.3872 1.9685 2.9653 0.6116 1.0044 7.9370 3.4525 2.3265 7.5563 0.1683 0.1537 0.8582 0.3659 0.5240 0.1580 0.6040 1.3362 1.9867 1.5513 1.0967 0.4834 4.5655 1.0487 6.7546 1.2302 0.2090 0.6626 0.3681 0.2301 1.2587 0.4412 0.9949 0.5526 0.6150 0.5079 0.7021 2.4976 1.1624 0.6015 0.6934 0.5251 1.2699 0.9574 0.5069 0.5634 0.8186 4.4449 0.6384 1.4570 4.5477 1.3849 1.4432 1.9377 0.6688 1.1237 13.1479 14.8636 2.0449 0.9956 7.2970 0.4816 1.1977 1.6714 14.9822 0.7967 glucuronide of C10H18O2 (8)* 0.3599 0.5056 1.2021 0.5880 5.0166 0.2787 1.9460 2.0475 0.5899 1.3301 16.8857 4.0867 2.2834 4.5603 0.0296 0.2170 0.9935 0.0296 0.3198 0.1113 1.1130 1.1795 2.0077 1.2988 0.6488 0.2988 3.8370 0.7356 3.5948 0.6702 0.3380 0.6962 0.2797 0.1463 1.2109 0.6455 1.0772 0.9054 0.5290 0.7005 0.7358 2.0692 1.4241 0.5951 0.6202 0.4632 0.7646 1.0815 0.0296 0.3903 0.7082 3.5406 0.8098 1.7144 5.4503 1.4920 1.6078 2.3862 0.4192 0.8505 17.6480 21.5021 6.2299 4.0856 8.8193 0.4941 1.0065 1.0464 10.3629 0.7485 glucuronide of C12H20O3 (1)* 0.2340 2.9792 0.3303 0.3385 0.1762 2.1151 0.2623 1.2118 0.2951 7.1292 0.5102 0.5964 1.5555 1.0246 0.3354 2.3418 0.0263 1.0236 3.8060 0.1301 1.8308 7.8526 0.4317 0.3942 0.3788 0.1135 2.2929 1.3241 2.0564 0.0658 0.0263 1.1910 0.9085 1.7386 2.1247 3.1769 5.6188 0.5407 0.1597 1.0000 5.1636 0.4645 0.6262 5.5486 5.6133 0.1947 0.6278 3.8788 2.1846 8.1806 0.3298 0.3648 0.1770 0.2023 4.4819 1.4446 0.3265 4.7860 0.2311 0.6221 10.0855 0.6862 6.0137 5.5164 7.8651 10.6823 1.0069 0.2807 0.6383 0.9595 glucuronide of C12H20O3 (2)* 0.4248 1.3164 2.7379 1.2280 0.0237 1.0233 0.1281 1.5785 1.1832 2.3148 1.5822 2.3958 1.7937 1.3995 0.9849 0.3395 0.0237 0.3417 1.0000 0.0237 0.4552 1.3112 1.0384 0.9850 0.5365 0.2871 1.4531 0.0237 1.9886 0.6844 0.0237 0.4677 0.2147 0.0237 1.6805 0.4829 1.0753 0.9839 0.1173 0.5337 0.6173 0.6141 0.6575 1.3190 1.1189 1.0962 0.6072 1.0076 0.9189 0.4499 0.8420 1.0545 0.9150 0.6733 1.4398 1.9463 1.6414 2.1853 0.5941 0.8198 1.4183 1.5057 1.6995 2.1137 1.5020 2.0714 0.8126 0.7785 0.8646 0.4380 glucuronide of C12H20O3 (3)* 0.4702 1.1455 1.6448 0.9519 0.0454 0.7665 0.2323 1.1049 0.5166 1.0469 0.9776 1.4969 0.2423 0.7977 1.4371 1.5347 0.0454 0.3532 0.3228 0.9496 0.3212 0.7054 0.7068 0.6495 0.4693 0.6661 0.7890 1.8395 1.2107 0.4836 0.1283 0.6750 0.1897 0.0454 2.3258 1.1594 1.0428 0.8185 1.3173 3.2298 1.2200 1.2135 1.0643 1.6747 0.8194 0.4831 1.0305 1.1442 1.3235 3.0751 0.4447 0.1916 0.2907 0.3477 1.0541 1.5421 0.5560 1.0310 0.7559 1.6739 0.9856 0.8491 1.1196 1.7762 1.2373 1.9748 1.0144 3.6118 1.5009 2.1089 glucuronide of C12H20O3 (4)* 3.0045 1.8967 0.4969 1.1613 0.4079 0.9537 0.6203 1.1376 0.5527 2.3466 1.1044 3.7355 0.9872 1.6599 0.2217 1.0983 0.1895 1.3980 0.7916 0.4609 0.5404 0.4822 1.5160 2.2642 1.3315 0.1080 1.1970 0.3419 0.5785 0.5610 0.1255 1.0556 1.1264 0.4853 3.0463 0.9034 0.3993 1.5303 0.7668 0.7988 1.8142 3.2003 1.3190 1.3936 0.8957 0.5309 1.3977 3.4513 0.6035 1.2724 1.3697 1.7414 0.5053 0.5729 1.0128 1.8502 0.3926 1.0788 0.8335 0.4197 0.9533 1.0957 2.5508 2.0938 4.4583 1.4454 0.5886 0.6266 0.7695 0.3631 glucuronide of C12H20O3 (5)* 4.1897 1.6658 0.5055 0.8479 0.8503 1.2191 0.5777 0.7418 0.5427 1.5321 0.5099 2.4716 4.8416 2.3142 0.4489 0.6537 1.3936 1.7070 0.9470 0.4853 0.8121 0.4340 1.2962 2.2646 1.1022 0.4916 1.6027 1.4456 1.3666 0.5867 0.1966 1.3960 0.5629 0.7581 5.5673 0.7736 0.5461 1.0343 0.9510 1.3681 1.6928 1.8855 0.4885 1.0500 0.7116 0.4353 1.1777 1.7633 0.3222 1.0000 0.7225 4.5531 0.5361 0.8126 0.7214 2.0873 0.1966 0.5433 1.8382 1.3455 1.4259 0.1966 0.9880 1.2298 6.8440 0.1966 0.7938 1.8819 0.8384 1.9717 glucuronide of C12H22O3 (1)* 0.1334 0.1334 1.0749 0.4795 2.1628 0.5207 0.7846 0.1334 0.1334 0.4841 0.2243 3.9064 5.0929 0.1334 2.3471 0.8536 0.1334 0.1334 0.7124 0.2964 2.0772 0.4646 0.1334 0.1334 0.8884 0.1334 1.8095 0.3524 3.6374 0.1334 0.1334 2.4049 0.1334 0.1334 24.7909 0.5608 0.9945 0.9494 0.5847 0.1334 1.1753 1.2836 1.2397 0.1334 0.1334 0.8036 0.9627 2.1106 1.0611 1.1543 2.9736 1.0765 1.2429 0.1334 2.2191 1.0055 0.4557 0.8059 0.1334 0.6260 4.3705 3.5390 2.5098 0.6552 26.6974 2.9077 0.5669 0.7930 0.9185 0.1418 glucuronide of C12H22O4 (1)* 0.7537 0.7183 0.9627 1.2117 2.7056 3.2611 3.0939 0.8110 0.3126 1.2535 0.4722 15.8352 3.6745 1.6593 1.0995 2.4571 0.3143 0.6368 0.6234 0.8677 1.5957 1.0032 0.7347 0.6275 1.0581 0.1407 0.8878 0.5167 2.3203 0.6673 0.2084 4.1555 0.7097 1.3166 18.6128 1.8148 0.7095 3.4959 0.4673 0.6250 1.5258 6.7940 0.9968 0.5233 0.8431 1.1853 1.5656 7.4861 1.3674 2.7829 1.5625 1.9446 0.6237 0.9460 1.3366 1.9994 0.2820 0.5651 0.1697 0.8780 2.4449 2.8891 1.7310 0.5381 11.8938 1.8294 0.2904 0.3550 0.7969 0.6789 glucuronide of C12H22O4 (2)* 1.0636 0.8374 0.7956 1.0767 2.5207 2.6151 2.4282 0.8679 0.4643 1.1290 0.6573 12.2964 2.6915 1.2516 1.0467 2.5686 0.2010 0.2010 0.3378 0.5545 0.6332 0.7507 0.7679 0.7544 0.7215 0.2010 0.9026 0.4211 2.0337 0.8544 0.2010 3.9207 0.5955 1.0367 11.6724 1.0484 0.8351 2.8016 0.6764 0.7009 2.2604 7.0472 0.8845 0.3765 0.7229 1.0603 1.3596 5.2488 1.8066 2.9897 1.8505 1.8823 0.3408 0.7393 1.0000 2.4514 0.2636 0.6114 0.2580 0.8684 2.3440 2.4777 1.1538 0.6017 7.5320 1.6489 0.3012 0.3642 1.1811 0.7830 glucuronide of C14H22O4 (1)* 0.0921 1.8998 2.9364 2.0458 0.0921 0.8344 0.0921 1.6707 0.7673 0.6777 0.8252 1.4498 0.3350 0.6319 0.8728 0.2630 0.0921 0.0921 0.5929 0.0921 0.0921 0.3781 0.0921 0.6150 0.3988 0.0921 1.0952 0.0921 1.3649 0.0921 0.0921 0.6315 0.0921 0.0921 5.4474 1.6699 1.1156 2.7992 0.2638 0.0921 0.6712 1.1302 0.9962 1.3180 0.4841 1.4382 0.4435 1.2245 10.5818 2.5426 1.0038 0.6152 1.3832 0.3198 0.6009 1.3828 0.0921 0.9367 0.5680 0.0921 1.8765 2.5828 1.6798 2.3580 1.9533 3.2276 0.4882 0.6448 4.1923 0.5073 glucuronide of C14H22O4 (2)* 0.4189 1.8455 2.0119 0.8410 0.6678 1.0911 0.5666 2.0637 0.8475 1.8658 2.3606 1.2767 2.3556 1.1023 0.7954 0.2720 0.6469 0.4975 1.5377 0.3228 1.3537 0.9019 1.6614 0.8953 0.5591 0.2720 1.6237 0.8188 1.5840 0.5832 0.7733 0.7319 0.4473 0.4215 3.5650 0.8627 1.1852 0.9069 0.5148 0.3341 0.8958 0.4172 1.8916 0.9153 2.6452 1.4915 0.5104 0.7167 1.3536 0.3554 0.9303 0.9272 1.5139 1.0000 1.4353 1.2961 2.2787 1.7192 1.1121 0.3290 1.9550 1.2485 2.3791 1.0356 1.9809 1.3389 1.1470 0.9781 1.2439 0.3476 glucuronide of C14H22O4 (3)* 0.2085 0.8477 2.7476 1.1769 0.2085 0.9072 0.2085 1.0000 1.2421 2.8266 1.1523 0.9790 1.6338 0.4405 0.9636 0.6818 0.2085 0.2085 1.1683 0.2085 0.9990 1.0869 1.1479 0.7103 0.7789 0.2085 1.1471 0.2085 0.9933 0.2085 0.2085 0.2754 0.3558 0.2085 1.9354 0.6056 1.4986 1.5399 0.2085 0.2085 0.8535 0.6901 2.9453 1.1650 2.0171 1.3364 0.2645 0.5627 0.5763 0.3113 0.7942 0.2085 1.6492 0.2085 0.5256 0.3354 1.3309 1.4153 0.5676 0.2085 2.4645 1.7977 3.2269 2.9646 1.2407 0.6240 1.0795 0.2085 0.7551 0.2085 glucuronide of C14H26O4 (1)* 0.3741 0.5618 1.5207 1.7464 1.2879 2.5614 2.2782 1.0120 0.2453 0.8920 0.4435 12.3654 6.7782 1.0240 1.0742 1.8797 0.3506 0.5170 1.0235 0.7385 2.2778 1.2243 0.7212 0.6187 0.6919 0.0923 0.7570 0.5507 2.5470 0.4912 0.2659 5.5130 0.6082 0.9406 17.5582 1.3566 0.8953 2.7699 0.6481 0.6353 1.7865 6.4586 0.9545 0.4504 0.8425 1.2890 1.0353 5.6620 1.5439 1.7434 0.9880 1.4787 0.7859 1.3110 1.5100 1.8096 0.1763 0.5401 0.1271 0.5608 3.8689 2.2770 2.1673 0.5877 12.8952 1.5723 0.3682 0.5045 0.5795 0.6045 glucuronide of C14H26O4 (2)* 0.3293 0.2122 1.1639 1.5186 1.5192 2.4197 2.3011 1.0625 0.2736 1.0429 0.4129 8.8428 3.8407 1.1600 1.2947 2.0952 0.1203 0.3257 0.6531 0.5421 1.5485 1.0688 0.8876 0.7367 0.7374 0.1203 0.6942 0.5367 1.7975 0.5862 0.2636 4.6721 0.5567 0.9419 12.3573 1.2534 0.7823 3.2456 0.7973 1.0292 1.8632 9.1841 0.9708 0.4295 0.8377 1.1102 0.8766 5.5603 2.1821 1.8956 1.2122 1.4742 0.5359 0.9431 0.8289 2.5060 0.2182 0.5163 0.1203 0.5213 3.4748 1.7925 1.6864 0.6762 10.9516 1.6087 0.2758 0.4752 0.6552 0.7605 glucuronide of C16H30O4 (1)* 0.1420 0.1420 0.4818 0.8789 1.9916 0.6729 2.4275 0.9278 0.1420 1.3847 1.2265 4.3630 14.1605 0.9385 1.0011 0.6703 0.4656 0.1420 1.2969 0.4124 6.1685 1.7504 0.3527 0.2736 1.7752 0.1420 1.4583 0.3895 3.4570 0.4548 0.2163 2.3331 0.5019 0.5018 19.6409 1.2765 0.5412 1.4165 0.6517 0.5212 1.9607 1.9778 1.3680 0.5175 0.9423 1.0598 0.7274 4.0052 0.5586 1.7350 1.5936 1.3587 0.9840 0.9989 0.7622 1.5240 0.6354 2.0126 0.2881 0.7363 6.3150 1.8912 3.0897 1.0054 20.8501 1.6934 0.6433 0.5818 0.5922 0.3693 glucuronide of C19H28O4 (1)* 0.0437 0.0437 0.0437 0.0437 0.0437 0.0437 0.0437 0.0437 0.0437 0.0437 0.0678 16.8212 6.0379 0.0437 18.5337 0.0437 0.0437 0.0437 0.0437 0.0437 0.0749 0.0437 0.1534 0.0437 1.3779 0.1246 0.0437 0.0437 0.0437 0.0437 0.1541 0.0437 0.0437 0.0437 12.1863 0.0437 2.5547 0.0463 0.1465 0.0437 1.0000 0.0437 31.8209 40.3019 0.1497 0.0437 0.0437 0.0437 0.6681 0.2035 15.8001 11.4371 0.0437 0.0437 1.7701 0.0848 0.8367 0.0437 0.0437 0.0437 0.7362 1.3443 0.0437 0.0437 0.0437 0.0437 10.0681 0.0437 2.2731 0.0437 glucuronide of C19H28O4 (2)* 2.6655 1.9571 0.1847 0.1942 5.6683 0.2457 0.2567 1.1236 0.1060 0.1060 3.9253 7.6334 7.1589 0.1060 0.8722 1.1081 2.4768 0.1060 0.4059 0.3007 3.8659 1.5709 11.9432 1.1010 0.2370 0.1060 0.2781 0.2829 0.5029 0.2843 6.9989 0.1060 0.1825 0.1060 0.5823 0.4444 31.9440 0.8209 1.5040 1.4333 59.1059 1.3352 3.2143 3.1465 18.4830 0.4503 0.4286 0.2711 87.5907 9.1262 0.9378 0.8889 2.0776 2.4292 0.9162 0.7527 0.5907 0.5708 0.1060 0.1380 0.9739 1.0261 0.2053 0.2827 0.1060 0.1060 4.7798 1.1337 26.3081 0.1060 glucuronide of C8H14O2 (1)* 0.5394 1.3094 2.1256 0.7239 0.2690 0.7975 0.5541 2.6920 3.1466 1.0030 1.6951 0.9720 1.4576 0.5895 0.3949 0.2690 0.2690 0.2690 0.4781 0.2690 0.5163 1.0000 0.9239 0.5056 0.8207 0.2690 0.9797 0.2690 1.4132 0.2690 0.2690 1.1556 0.4050 0.2690 4.8615 0.9997 1.1199 0.7767 0.2690 0.2690 1.1649 0.8475 0.6272 0.9440 0.9386 0.6231 1.1179 0.9174 1.3059 0.9017 1.4202 0.3692 4.0007 0.2690 1.5928 1.7742 1.6553 1.6867 0.4695 0.2690 5.4664 1.1091 2.7950 3.1582 3.7568 1.5474 0.7806 0.2690 1.0040 0.2690 glucuronide of C8H14O2 (2)* 0.2075 0.6700 1.3886 0.6938 0.2075 0.2415 0.3073 1.1314 0.6734 1.3379 0.8376 0.4811 1.4973 0.4747 0.2075 0.2075 0.2075 0.2075 0.3048 0.2075 0.2075 0.3793 0.2075 0.2487 0.4250 0.2075 0.9042 0.2075 1.4353 0.2075 0.2075 1.0832 0.2198 0.2075 2.6498 0.8768 1.2101 0.6885 0.2075 0.2075 0.6085 0.8909 0.4885 0.9833 0.6751 0.4843 0.9178 1.0755 1.7966 1.0167 1.5318 0.5195 6.1032 1.6085 1.2092 2.3279 2.3116 2.2813 1.1399 0.2075 6.9112 2.0524 2.6262 3.1196 3.1872 1.4944 0.4456 1.6402 1.4074 0.4406 glucuronide of C8H14O2 (3)* 0.4373 1.4852 1.4524 1.3001 0.0264 0.9455 0.3446 3.7746 0.5586 1.4629 2.0901 1.6041 0.9596 1.0404 1.4315 0.7617 0.0344 0.6447 0.7545 0.0264 0.5552 1.0431 1.3132 1.1517 1.1671 0.0264 1.7968 0.0898 1.5361 0.0264 0.0264 0.4099 0.5245 0.4520 3.1126 0.8846 0.8445 1.1657 0.0264 0.0264 0.8964 0.7952 1.3170 0.9578 0.9347 0.8094 0.2653 0.6821 0.6676 0.5992 1.4525 0.2287 1.4947 0.0264 1.2142 1.9668 0.7893 1.2491 0.6569 0.0264 1.8950 1.8220 1.8357 2.2777 1.4067 1.7118 0.6568 0.0264 1.8625 0.0264 glucuronide of C8H14O2 (4)* 0.8552 1.8815 3.9179 1.5549 0.0538 1.2311 0.2760 2.5167 1.1949 2.4216 3.4553 2.0309 1.6312 1.6743 3.2041 0.6721 0.6706 0.8443 1.0000 0.1856 0.8003 1.1516 1.0534 0.9500 1.0730 0.0538 2.5128 0.7455 2.4426 0.3061 0.0795 0.5419 0.3807 0.5080 13.7763 1.5685 0.8191 1.4423 0.0912 0.2543 0.4410 0.4923 1.0639 0.9547 1.0179 0.6962 0.3278 0.5804 0.9006 0.7473 0.9880 1.0555 1.6140 0.3998 0.8430 1.1136 0.8732 0.9838 1.2892 0.4699 4.1941 2.0308 1.5110 2.1259 1.3384 1.8034 0.5280 0.0538 1.1042 0.0538 glucuronide of C8H14O2 (5)* 0.0767 0.8760 0.0767 2.0186 0.0767 0.5196 0.0767 1.2741 0.0767 0.0767 0.0767 0.0767 0.4898 0.7022 0.9606 0.0767 0.0767 0.0767 0.4393 1.4946 0.3198 0.5134 2.3281 1.4754 0.0767 0.0767 0.3731 4.7627 1.4086 2.5292 0.3768 3.8270 0.0767 0.9955 0.0767 0.5133 1.2691 0.9655 1.0693 2.9859 0.0874 3.4585 0.0767 4.2569 0.1755 0.4441 1.3967 2.1392 0.8966 0.0767 0.7376 11.0551 0.8132 3.5262 0.6242 5.6882 0.1873 0.1499 8.0819 3.9131 0.0767 1.2986 0.1183 1.1351 0.6689 1.2470 1.0000 0.6512 7.1387 7.9742 glucuronide of C8H14O2 (6)* 0.8557 1.2693 1.0909 1.9852 0.2929 0.5926 0.2174 3.6280 0.3371 0.7582 0.5752 0.4674 0.6549 1.2286 0.8707 0.4590 1.0173 1.7333 0.7306 0.5111 0.4593 0.6409 1.8515 1.2669 1.2653 0.1807 0.6911 3.4047 1.9596 1.9822 0.5924 2.9807 0.2558 1.0246 3.4864 0.6330 0.9305 1.0281 0.8681 1.8011 0.2724 1.7818 0.6326 2.3777 0.3765 0.3768 1.2309 0.9242 0.9923 0.1807 0.9310 9.2123 1.7345 2.2378 0.5775 4.8480 0.2954 0.4708 5.8671 2.6473 1.2683 1.1528 1.1047 1.2478 1.0000 1.0315 0.8163 0.5564 5.1155 3.4214 glucuronide of C8H16O2 (2)* 0.2526 0.5800 1.7575 1.0143 0.0587 0.8981 0.7586 1.1307 0.4662 0.6938 1.8444 2.8837 1.5968 0.4127 0.9857 0.3242 0.0587 0.0587 0.7075 0.0587 0.7983 0.5085 1.1990 1.1015 0.6577 0.0587 1.0525 0.1318 0.5720 0.2291 1.0855 0.7337 0.7019 0.8443 6.2026 0.9454 1.0487 1.2511 0.0828 0.0587 6.9024 1.0503 2.9127 1.6983 1.2361 0.9847 0.7008 1.6388 1.7784 1.1240 1.6717 0.1331 0.7306 0.1619 0.2269 1.1345 0.6575 1.0486 0.3948 0.0717 2.8562 2.0924 1.7411 1.5617 20.9030 1.8781 2.1099 0.3270 1.3292 0.0587 glucuronide of C8H18O2 (1)* 0.4401 1.0286 1.8777 1.3572 0.2023 0.1582 0.6977 3.7566 3.2316 5.8476 0.5635 0.4178 0.2004 0.1621 0.1019 0.0819 0.0819 0.3503 1.1772 0.9714 0.1883 0.0954 2.4881 2.6074 1.9919 1.1884 2.6409 1.1445 1.6457 0.8488 0.4920 0.6015 0.3434 0.0819 3.7770 1.6749 1.4685 1.8875 8.7581 13.0937 2.3179 2.8785 0.4688 0.3035 0.7227 0.5052 1.2159 2.3696 1.8720 2.5528 4.5676 7.7430 1.5180 0.9240 0.4235 0.6258 1.2970 1.7784 0.3489 0.6934 0.3840 0.8165 0.1661 0.2573 0.7423 0.3631 0.9442 1.3660 2.4701 2.0363 glucuronide of C8H18O2 (2)* 0.6108 1.2749 1.7770 1.2108 0.1982 0.1354 0.5690 3.0488 2.9714 5.2244 0.4895 0.3919 0.2242 0.1836 0.0956 0.1150 0.0684 0.3868 1.1722 0.7950 0.1463 0.1625 2.2917 2.4470 1.7097 1.2834 2.4708 1.0857 1.8755 0.8160 0.4156 0.5191 0.3259 0.0684 3.0809 1.2326 1.2701 2.1102 7.4697 11.9463 1.4628 2.7012 1.1530 0.3859 0.7227 0.5499 0.9882 2.5008 2.4153 2.1430 4.8924 6.9080 1.4471 0.7618 0.0684 0.5971 1.2391 1.2145 0.2602 0.4967 0.9291 0.6070 0.3990 0.1615 1.0118 0.4499 0.4995 0.9221 2.6930 1.8088 glucuronide of C9H10O4 (1)* 0.3475 1.0187 0.4060 0.3030 0.8666 1.0861 0.3922 0.2894 0.5504 2.7063 0.9613 1.6853 3.1291 0.6325 3.7033 1.8108 0.0425 0.0425 1.0687 0.0425 1.1249 1.0117 2.6842 1.0674 0.5030 0.0425 1.6639 1.0000 0.4614 0.0425 0.0425 0.7364 0.4317 0.3978 3.5718 1.3026 0.3146 0.1845 0.0425 0.3536 1.7338 0.9868 3.0952 2.5743 0.8964 0.5337 0.8627 1.6822 2.4519 1.7347 0.8700 0.4695 0.6065 0.0425 1.9827 1.3412 2.3587 2.1358 0.2558 0.0425 2.7497 2.6705 0.9069 0.9232 3.3370 2.2512 0.8103 0.0425 1.9847 0.3781 glucuronide of piperine metabolite C17H21NO3 (1)* 0.2474 0.3744 0.7764 0.2614 0.2474 0.4727 1.0515 0.8867 0.9254 2.7756 0.7531 1.4163 2.0057 2.5544 0.6672 0.8902 0.8238 2.0973 0.9505 0.7572 2.6096 3.1640 1.0971 1.0426 0.7682 1.1482 2.1589 0.5658 0.4144 1.0022 0.5497 0.5185 0.2515 0.6322 1.3317 0.4207 0.4014 2.4236 1.7935 1.8842 0.7010 1.2725 0.2474 0.9978 0.4701 1.5955 1.9044 1.5993 2.0801 1.8508 2.5387 1.7747 0.4628 0.3311 2.5285 1.1484 2.3581 3.1455 0.7263 0.5347 0.2620 1.9537 0.3016 0.7243 0.4847 1.7675 2.7765 3.3110 0.4956 1.5379 glucuronide of piperine metabolite C17H21NO3 (2)* 0.1382 0.1382 0.5434 0.2152 0.1382 0.2243 0.6894 0.1382 0.8803 1.7954 0.4676 0.6989 1.0480 1.6497 0.5556 0.7653 0.1382 2.1870 0.7517 0.5114 1.6350 2.1560 1.0468 0.1382 0.1382 0.1382 0.1382 0.1382 0.1382 0.1382 0.4177 0.4027 0.1914 0.5814 0.1382 0.1382 0.6497 2.0629 1.3356 2.1833 0.4926 1.4050 0.1976 2.0240 0.4780 1.0000 1.9282 1.1169 1.6554 1.0088 1.9392 2.0057 0.6407 0.4366 1.1724 2.6936 1.2509 1.4458 0.5857 0.5119 0.4566 1.5265 0.4758 0.3496 0.4342 3.0995 2.8007 5.0452 1.1109 2.0109 glucuronide of piperine metabolite C17H21NO3 (3)* 0.7156 0.8214 0.7649 0.0625 0.0469 0.3594 1.0000 1.6775 0.6356 1.4146 0.5437 0.4491 1.3122 3.5005 0.6312 0.2541 1.0178 0.8098 0.9256 0.6161 1.0647 0.7322 1.5916 1.8204 1.2662 2.2762 3.0965 1.0077 0.6377 1.8040 0.6063 0.6021 0.0469 0.1668 0.4143 0.1113 0.4580 1.6850 0.9286 1.2743 0.3324 0.7416 0.1612 1.8328 0.6292 0.5605 1.2959 0.8184 1.7767 1.0693 2.3511 2.3581 1.7753 1.4949 1.3563 3.0184 1.4227 1.3697 1.0139 0.7597 0.4527 1.4619 0.1198 0.2805 0.5166 1.4193 1.0388 1.1483 1.6032 2.5263 glucuronide of piperine metabolite C17H21NO3 (4)* 0.4235 0.8429 0.7872 0.1165 0.0837 0.4130 1.0000 1.4605 0.5159 1.5754 0.6556 0.7949 2.0425 3.7860 0.6504 0.3731 0.4093 0.8445 0.8767 0.7275 1.6099 1.5380 1.5178 1.5492 0.9002 1.5198 3.1692 0.8801 0.6799 2.2594 0.7618 0.6520 0.0837 0.1307 0.8069 0.2068 0.4237 2.2374 1.5622 1.4057 0.7704 1.0138 0.2897 1.1282 0.5935 1.1784 1.8738 1.4229 2.4667 2.2275 3.0556 2.1350 1.2020 1.0576 3.4076 1.6611 3.3581 3.8964 1.1372 0.8921 0.3510 2.3528 0.3017 0.5619 0.7595 2.3831 0.9960 1.1173 0.7512 2.1334 glucuronide of piperine metabolite C17H21NO3 (5)* 0.9352 1.1504 0.7309 0.1857 0.1448 0.4675 0.9604 1.5566 0.6423 1.2791 0.4927 0.4018 1.2785 3.8191 0.7084 0.6757 1.4168 2.2421 0.8185 0.6753 1.0273 1.3915 1.7689 1.7113 1.1500 2.2255 2.5604 1.0072 0.5180 1.6179 0.7091 0.7012 0.2370 0.2619 0.5561 0.2315 0.4856 1.6853 1.0000 1.2877 0.3232 0.6752 0.1563 1.9218 0.6864 0.6009 1.1944 0.7516 1.8008 0.9693 2.2698 2.4323 1.8100 1.8653 1.2299 3.6760 1.4696 1.3740 0.9039 0.8940 0.4488 1.3158 0.1448 0.2219 0.5325 1.4135 0.9727 1.2614 1.5497 2.5680 glucuronide of piperine metabolite C17H21NO3 (6)* 0.2916 0.5278 0.7979 0.2370 0.1013 0.3757 1.0183 0.9439 1.2198 2.3522 0.5110 0.7171 1.3487 2.7451 0.6527 1.1467 1.7099 3.3303 0.9458 0.6352 1.7974 2.5176 1.4807 1.2732 1.0592 1.7317 1.8539 0.6264 0.3114 0.7908 0.5050 0.6761 0.3570 0.8783 0.8020 0.3350 0.6441 2.3407 1.5838 2.3252 0.3081 1.2020 0.1013 2.3860 0.6335 0.9881 1.8215 0.9455 1.7754 1.0104 2.2409 2.3961 1.0000 0.7922 0.7954 3.4897 1.3851 1.3759 0.8676 0.6723 0.5480 1.8658 0.1556 0.2847 0.4103 1.4406 3.0295 4.7183 1.2611 2.5260 glutamate 0.5662 1.0455 0.8541 0.7343 0.9326 0.6241 0.3982 1.1913 0.6508 0.8416 1.2804 1.0044 0.4503 1.2118 0.6326 0.9697 2.2869 3.4685 0.6714 0.7200 0.6717 1.0221 2.7066 2.1935 0.8598 3.3699 0.7982 1.6078 0.9646 0.8069 0.6192 0.8146 0.3486 0.9854 0.9807 0.5639 1.3470 2.2873 1.5691 1.7172 1.0771 2.1085 1.4816 2.2662 1.0396 1.3919 2.0563 1.7029 1.1218 2.8614 0.5040 0.8498 0.6367 0.5783 1.1044 1.4257 0.7810 1.1227 0.4349 0.8884 1.5115 1.1773 0.7077 0.8251 0.9956 1.0668 0.7004 1.7517 3.1916 1.2108 glutamine 0.6259 0.8868 1.3223 0.9768 0.9907 0.8887 1.0098 1.9328 0.7064 0.9738 0.6260 1.0518 0.6819 0.8564 0.6094 0.8790 0.5594 1.4925 0.7888 0.8329 0.7395 0.7502 1.0627 1.1376 1.0895 0.8400 0.7575 0.9330 1.5911 1.1116 0.5617 0.8461 0.8049 0.9362 1.3736 1.0264 1.0093 1.2686 1.6766 1.2049 1.3295 0.9503 1.3347 1.0494 1.0563 1.7558 1.0267 1.1445 0.4576 0.8205 1.3539 1.8494 0.7859 1.1372 2.0095 1.5968 1.0562 1.3946 0.8623 0.8584 1.5995 1.3882 0.8961 1.0952 1.1267 1.3133 0.4878 0.7001 0.8277 0.8892 glutamine conjugate of C8H12O2 (1)* 0.4421 1.4144 1.5980 0.9829 0.4395 0.9664 0.3345 2.9368 0.7858 1.8375 1.8757 1.6839 0.9118 1.2424 1.2421 0.6259 0.4336 0.9772 1.0000 0.4869 0.5023 1.0261 1.3924 1.2571 1.5084 0.7639 1.4589 0.8548 1.5785 1.0159 0.5151 0.7555 0.4486 0.5345 3.4135 0.6893 1.0674 1.1613 0.4314 0.7804 0.6454 0.7973 0.8075 1.3723 0.9481 1.0000 0.7291 0.6440 0.8171 0.7971 1.2106 1.7027 1.9169 1.3817 1.3002 1.9637 0.4791 0.5597 1.1014 0.9992 1.3405 2.4209 1.5228 1.5187 1.1861 1.5000 1.0278 0.9550 2.2775 0.7380 glutamine conjugate of C8H12O2 (2)* 0.3587 1.3098 2.8878 1.3326 0.4189 1.1702 0.4254 2.5485 1.2900 2.8293 1.7729 1.7250 2.3203 0.7912 0.5169 0.4110 1.0292 0.9147 0.6766 0.3330 1.0357 1.0850 1.0139 0.9833 0.6902 0.2958 2.7242 1.0460 2.3412 1.0314 0.4486 1.1760 0.4875 0.5473 4.6949 1.1029 1.1629 1.1392 0.5759 0.6062 0.4506 0.6075 0.5643 0.9861 0.6472 0.5659 0.3638 0.5111 0.7524 0.6050 0.6269 1.0685 1.4306 1.0288 1.1639 1.6784 0.9478 1.2187 0.8832 0.6959 2.7503 0.9289 0.9420 1.2802 1.0159 0.8701 1.3337 2.1114 1.1636 0.5189 glutamine conjugate of C8H12O2 (3)* 0.0579 1.6426 1.9228 2.7208 1.2294 2.1259 0.5376 5.2961 1.0830 1.1465 0.6708 2.4738 0.6300 0.5428 0.8592 0.4769 0.0579 0.0579 1.0568 0.6287 1.0362 0.8691 1.8680 2.9696 1.1310 0.0579 1.1035 0.5614 0.7391 0.4589 0.2810 0.2740 0.2790 0.0579 1.1875 0.5365 1.4157 2.1945 0.2368 0.2926 0.8421 1.0149 0.8167 1.8558 0.3231 0.9263 0.4386 0.2228 2.8877 0.9498 1.0766 1.4471 1.0970 0.7578 0.0579 1.1485 2.5865 0.6394 0.5841 0.4803 0.5791 2.3863 1.0000 1.2652 3.0793 0.9099 1.1347 1.9232 1.5509 0.3241 glutamine conjugate of C8H12O4 (1)* 0.6875 2.7875 2.5871 2.0801 0.4866 1.6199 0.1937 4.0592 0.6396 1.7699 1.5206 1.2907 0.4352 1.3838 1.9650 1.0665 0.4768 1.1193 0.8888 0.4057 0.5797 0.9793 1.2552 1.2754 0.8471 0.4401 1.6655 0.6937 2.1563 1.0147 0.3842 1.0813 0.4041 0.6272 9.4952 0.9574 0.7898 1.3811 0.3422 0.8126 0.6278 0.7781 1.0525 0.7340 0.7130 0.8074 0.9196 0.6276 1.2613 1.0278 1.4640 1.7633 2.2354 2.6746 0.8780 1.9479 0.4684 0.7545 1.0603 0.9082 3.4709 1.5560 0.8512 1.7433 0.8074 1.5403 0.9853 0.7248 5.2703 2.0412 glutamine conjugate of C8H12O4 (2)* 0.2433 3.3053 0.1037 5.0859 0.1037 1.9461 0.1412 9.5567 0.5118 1.4514 0.3362 0.1037 0.1037 1.0734 1.4716 1.0306 0.1037 1.2832 2.3144 0.9395 0.1167 0.4685 1.6590 3.6763 0.9309 0.4656 0.6047 0.9437 0.4123 0.5312 0.1850 1.1645 0.4404 1.7948 2.0537 0.1859 1.2471 2.7063 0.1606 0.9923 0.2884 1.2095 2.2588 2.4193 0.1752 0.7300 0.1037 0.1037 3.4946 0.6121 0.2238 1.1156 1.4956 0.6935 0.2604 3.2190 0.1528 0.3003 0.4765 1.0304 0.9981 3.1551 1.1396 3.4415 0.3813 1.0019 2.4770 1.2724 2.5202 0.2780 glutarate (C5-DC) 0.3653 0.8137 0.7734 0.8335 2.1367 0.8965 0.6350 0.7721 0.9728 1.6104 0.1738 0.4507 0.9224 2.2003 1.1916 0.9333 1.9277 0.1738 0.6054 0.6703 0.5583 1.8170 0.7171 1.2733 0.3725 2.3806 0.3838 2.1596 0.6981 0.4668 1.0121 0.7995 1.0112 2.5036 1.4335 0.7882 1.6747 1.2150 1.5469 1.8386 2.1405 2.0825 0.9558 0.7187 1.0236 1.9970 1.2451 1.0801 0.5485 0.6370 1.9248 2.3384 1.9843 1.3698 0.8626 1.0716 0.7332 0.9531 0.7093 1.0000 0.7453 0.6999 1.0469 1.1393 0.9483 0.7910 1.3117 1.3886 2.2218 1.7788 glutarylcarnitine (C5-DC) 1.0039 1.9274 0.7565 0.8281 0.5995 0.6013 0.4735 0.7809 0.5685 1.0408 0.7768 0.5460 0.5377 1.2115 1.0564 1.0077 1.3419 2.0526 1.0614 0.6666 0.7427 0.9423 1.7420 1.0718 0.8217 1.0153 0.8593 1.6320 0.6895 0.6668 0.8176 0.9314 1.1492 2.2652 1.5690 0.9961 1.4074 1.3634 1.1896 1.4614 0.7028 2.0564 0.5940 2.5929 0.6030 0.5699 2.9098 1.8967 1.5934 0.8295 0.7986 1.1213 0.6803 0.6951 0.6191 1.4413 0.5379 0.7883 1.0918 0.9388 1.2196 0.8913 0.7343 0.7197 1.8299 1.9904 1.2159 2.0640 4.2267 3.0906 glycerate 0.3031 1.5680 0.8748 0.7444 2.7447 0.6880 0.9984 1.1454 1.0381 1.4548 0.3651 1.7798 0.5955 0.7393 0.4086 0.4275 0.6750 1.3974 0.3803 2.3270 0.9113 0.9233 0.2906 0.3860 0.8888 2.0071 1.0016 1.3987 0.4292 1.1822 0.9571 0.9638 0.5552 0.3523 1.2725 0.8161 0.8176 1.2638 2.2529 1.1930 1.1538 1.1433 1.1590 1.1920 0.5697 0.7902 0.9239 1.0591 1.8935 1.1715 0.7849 0.8920 0.4910 1.2595 0.6850 1.9521 1.4675 1.1688 0.7676 1.5937 2.8460 4.3427 1.8939 1.0102 1.1514 0.7407 1.8568 1.8657 0.8542 0.8346 glycerol 0.1529 0.1529 0.7441 0.4998 1.0424 0.9173 0.1529 1.9867 1.7426 2.1828 1.2452 1.7209 0.1529 0.1529 0.7667 0.1529 0.1529 0.1529 0.1529 0.1529 0.5123 0.1529 2.4077 0.7626 0.1529 0.1529 0.3819 1.0520 1.8950 0.1536 0.2619 0.1529 0.1529 1.5810 1.7667 0.2359 1.1909 1.5792 0.1529 1.4829 0.8492 1.2441 0.5636 0.1529 0.6478 1.0000 0.8721 0.7810 1.8406 1.2732 0.6368 0.9268 0.1529 0.8141 0.6781 1.1882 0.3920 0.7369 0.9604 1.1483 0.1529 0.7486 0.1529 2.5098 1.2208 1.0104 0.1529 1.3536 0.1529 1.4861 glycerol 3-phosphate 1.8300 1.7885 0.4244 1.0169 2.4656 0.7353 3.1020 1.8134 0.5893 0.9217 0.8436 3.3239 0.6113 1.2356 0.6335 0.4698 0.8528 3.8199 1.3860 0.4575 0.6440 0.5441 2.9212 0.9964 1.6103 0.8907 0.3346 0.2242 0.4160 0.9277 1.1739 1.9906 1.1790 1.2646 3.1982 1.1949 0.5278 1.4036 0.4354 0.6152 2.4950 1.5287 1.1762 0.3562 0.6588 0.7748 0.5498 0.6402 1.5705 1.6410 1.8787 1.0036 0.9558 0.5153 0.9692 0.7469 2.2625 1.0868 0.2692 0.8187 2.6105 2.5855 1.3135 0.7973 5.4640 1.7806 0.9556 1.1161 1.3689 0.3880 glycerophosphoethanolamine 0.6269 1.2080 2.9483 5.0198 4.0709 1.6211 3.7231 1.3273 1.1174 1.4841 1.3897 20.1419 0.8176 1.0598 0.6827 0.7761 0.5988 2.0265 0.7651 0.4104 1.1576 0.8028 1.8865 0.9811 5.2914 0.7986 0.5177 0.3149 1.0140 0.8648 0.5997 0.8695 1.4908 0.8831 1.5188 0.5664 0.9689 2.2994 0.6024 0.8825 2.1012 1.3439 1.0773 0.8337 0.8392 0.9860 0.8111 0.9448 1.5114 1.4864 0.8168 0.5795 1.6364 1.3390 1.0760 0.9259 1.0553 0.8056 0.3144 0.4374 1.6068 2.1726 1.2141 0.8209 3.5350 2.0804 0.6217 0.7823 2.4014 0.5229 glycerophosphoglycerol 0.3350 0.6626 1.2839 1.2586 1.7343 1.0332 2.3523 1.1636 0.4779 1.1099 0.6513 4.1013 0.5391 0.6603 0.3760 0.5769 0.3319 0.9976 0.5327 0.4486 0.9425 0.5977 0.6922 0.6334 2.4114 0.5920 0.3691 0.3559 1.1812 0.9755 0.7322 1.2615 0.8103 0.4933 1.0024 0.6016 1.0713 2.9108 0.6574 0.7660 1.7985 1.5564 1.0215 0.7640 1.0869 1.3531 0.8650 1.2929 0.6974 1.4596 1.0558 0.9130 1.1313 1.0989 1.2010 1.1107 1.1999 1.0790 0.4075 0.6293 1.4774 1.7148 1.5779 1.2241 2.4037 1.9808 0.8437 0.7907 1.2523 0.5854 glycerophosphoinositol* 0.3273 0.8714 0.6038 0.8740 1.5636 0.6299 0.9224 1.1634 0.0879 1.1772 1.2413 1.5564 0.7197 0.8721 0.7101 1.0056 0.0879 2.7609 0.4029 0.8464 0.7791 0.6545 1.1177 0.8214 0.7976 0.8441 0.8316 0.6138 1.0609 0.9944 1.3287 0.8217 0.3432 0.2141 2.1720 0.7186 1.5036 1.9320 0.9841 1.2105 1.9126 1.9852 1.3426 1.5498 0.7224 0.9845 1.5504 1.9098 1.0270 1.9792 0.8396 1.2998 0.7082 0.6056 1.2711 1.9542 1.1491 1.8334 0.1810 0.8194 1.3803 1.8470 1.3797 1.0858 2.4440 1.9544 0.6952 1.5905 0.0879 0.3923 glycerophosphorylcholine (GPC) 0.1006 0.4801 1.0770 1.0293 0.6998 0.2255 0.4747 1.3843 0.9037 0.9942 1.5576 2.1254 0.6224 0.6789 0.3323 0.8335 0.7197 2.3750 0.8568 0.2244 0.9535 1.2182 1.4807 1.0524 0.8952 0.3837 0.8540 0.4802 1.5935 0.9995 0.7335 0.7472 0.2476 0.3096 2.0310 0.6100 2.6693 1.8738 0.9654 1.0005 1.4946 1.4708 1.7168 2.2634 0.9438 1.0691 1.3305 1.2016 1.1240 2.6288 0.4450 0.9130 0.4702 0.6902 3.4227 2.2570 2.1206 2.3687 0.3579 0.1718 1.9450 1.3382 0.9889 1.4126 1.5909 2.8946 0.6465 1.8374 2.9649 1.1195 glycerophosphoserine* 0.8581 1.8381 0.8263 0.7830 0.9082 0.7608 0.6809 1.1813 0.3077 1.2512 1.6071 0.6737 0.4896 1.1387 0.5720 0.7797 1.3705 2.9352 0.7452 0.5135 0.7028 0.8169 1.7688 1.0006 0.8020 1.6714 0.5452 1.1719 1.3114 1.2701 1.0404 1.1624 0.2541 0.8483 1.2694 0.6042 1.9818 1.7484 1.3587 1.9951 1.1029 1.3576 0.8711 1.7664 0.4471 0.4500 0.7799 0.8180 1.1272 1.5172 0.5588 0.9806 0.9994 0.9010 1.2862 2.2529 0.5336 1.5530 0.4246 0.5415 1.6333 0.9514 0.8617 1.0173 1.4249 2.1318 0.6405 1.4525 1.7184 1.2207 glycine 0.6820 0.8461 1.5311 0.9347 1.2178 0.9097 0.9877 1.9320 0.3670 0.5679 0.6319 0.9276 0.7694 0.8149 0.4343 0.5305 1.0415 2.1939 0.7798 0.7890 1.2354 0.8634 0.5545 0.9697 1.6955 1.2915 0.8066 0.9989 2.2875 1.3274 0.7521 1.1467 0.5433 0.7774 1.8483 1.2137 0.8459 1.3566 3.1279 1.9631 1.4159 1.3558 1.2295 1.3143 1.7208 2.8721 0.6750 0.8036 0.3009 0.5000 2.2637 3.2084 1.0011 2.2256 1.3571 0.8127 1.4052 2.2698 3.1082 1.8271 1.3039 1.2266 1.3318 1.2283 0.6718 0.7663 0.5505 0.3219 0.6084 0.6905 glycine conjugate of C10H12O2* 0.2173 0.8416 1.3433 0.7666 0.3982 1.2269 0.2655 1.6247 0.5449 1.7765 2.2891 1.9007 1.0053 0.8481 0.7473 0.3270 0.6356 0.8820 1.1113 0.8485 0.7860 1.4177 0.7848 0.8947 1.2851 1.0539 1.5934 0.9029 1.6989 1.9047 0.4594 0.7425 0.3242 0.9947 2.7405 0.9566 0.7369 0.8354 0.5600 1.2740 0.7210 1.3303 1.6778 2.0629 1.2421 0.9283 0.6368 0.9901 0.8226 0.8501 0.9256 1.1557 1.2199 1.3956 0.8731 1.1073 1.4157 4.0691 1.0958 0.8420 2.0235 2.0419 0.9484 1.6717 1.0111 1.1821 1.5362 1.4954 1.0714 0.6031 glycine conjugate of C10H14O2 (1)* 0.4866 1.5457 1.6416 0.9287 0.3735 0.9142 0.4246 2.9498 0.7805 2.4929 2.3097 1.6490 1.4518 1.4615 0.9352 0.5416 0.7067 0.9801 1.2563 0.5621 0.6166 0.8484 1.1354 1.1125 1.6344 0.9629 1.7048 0.9000 1.9699 1.3360 0.7244 0.8265 0.3968 0.5783 2.8326 0.8290 0.6933 1.0001 0.6296 0.9588 0.7774 0.8045 0.9590 1.1388 0.6430 0.5921 0.6995 0.7520 0.5889 0.8136 1.0891 1.3253 1.5409 1.5285 1.6188 1.8208 2.0280 3.0549 1.3862 0.9999 2.1481 1.4562 0.7503 1.3871 1.1914 1.7530 1.2277 1.1809 1.2165 0.5054 glycine conjugate of C10H14O2 (2)* 0.2973 1.6565 1.3236 0.1035 0.3172 0.1035 0.1035 3.9431 0.9022 2.6838 2.8051 2.1674 2.7242 3.0521 0.7698 0.5841 0.1035 1.1918 0.3205 0.5748 0.1405 0.2378 1.6091 1.5416 0.5345 1.1684 0.1035 0.1035 2.3753 0.2191 0.5997 0.1035 0.4003 0.6047 4.1968 0.1035 0.3629 1.2333 0.8297 1.6697 0.5472 0.7141 0.3142 1.0403 0.6488 0.5446 1.4318 0.9121 0.9089 1.1139 0.9039 0.6639 2.3355 2.1375 4.0134 2.1439 3.6933 7.6633 2.1339 2.1367 1.5099 1.4959 0.8583 1.0000 0.3791 1.0946 0.4662 0.3942 1.6850 0.6065 glycine conjugate of C9H16O2* 2.6250 5.7256 0.9720 0.3656 1.5737 1.0626 0.5469 0.7379 0.9699 1.1819 2.0450 1.3441 2.8772 1.2481 0.2443 0.3294 2.2019 1.4575 1.0305 0.7571 1.9894 0.6724 0.2937 0.2632 0.3767 0.1368 2.7926 2.2450 0.8861 0.3269 0.7636 0.5767 0.7452 0.4679 0.9790 0.5088 0.4447 0.3978 3.1477 1.9604 14.4822 12.3340 0.3523 0.3356 3.9071 1.5937 2.4859 1.0939 0.1368 0.5086 0.8196 0.4234 1.0041 2.3740 1.3202 0.5494 2.7327 2.1533 0.9392 0.5323 3.1101 1.0000 1.1312 0.5309 1.8698 1.8290 3.8623 2.5078 0.8114 0.8537 glyco-beta-muricholate 0.7737 0.5760 0.1749 0.5635 2.5286 0.4719 1.8689 1.6784 0.8879 0.3946 0.6864 0.9992 1.0480 0.9636 1.7798 7.3707 0.2741 0.5759 0.6803 0.6107 0.3853 0.3606 0.6996 1.0466 1.0008 0.5282 0.9619 2.5568 1.2143 0.4128 1.1176 3.8117 0.9010 1.3839 2.4797 0.6879 0.7781 3.9926 1.4106 1.3520 4.1046 4.7474 2.1864 0.8913 0.5230 1.7421 1.8690 5.4548 1.5522 0.8650 2.0886 1.1303 1.2647 0.7087 3.1202 4.5682 0.5371 1.5105 0.9608 3.8340 0.8534 1.1874 0.3406 0.1980 3.0904 3.3914 0.8718 1.0585 0.2750 0.7196 glycochenodeoxycholate 0.2342 0.2342 0.2342 0.5722 0.7128 0.2342 0.9322 0.2342 0.4361 3.1560 0.2342 1.6343 0.2342 0.2342 0.2342 0.4587 0.2342 0.2342 0.2342 0.2342 0.2887 0.2342 0.2342 0.2342 0.2342 0.2342 0.2342 0.2342 1.6236 0.2342 0.2451 0.6303 0.2342 0.2342 3.1481 0.8975 0.4401 1.4763 1.6560 0.2342 1.8982 1.8249 1.5963 0.2342 0.2342 0.6162 0.2342 2.0789 0.2342 1.3387 1.0678 0.9311 0.6728 0.6273 1.3748 1.6294 0.2342 0.5271 0.5013 1.2355 1.8316 5.8657 1.3839 0.9202 2.0318 0.7248 0.8315 1.6766 0.2342 0.2342 glycochenodeoxycholate 3-sulfate 0.2399 0.3811 1.1385 2.0054 0.7799 0.4419 0.8195 1.0964 2.2963 3.2086 0.9629 1.7390 0.4986 0.4272 0.5209 1.8262 0.3082 0.5832 0.3314 0.4238 0.2335 0.4104 0.4754 0.4926 1.5063 0.8346 1.1805 1.8947 0.6802 0.4102 0.7070 1.0371 0.2910 0.4431 1.1616 0.6595 1.1706 1.8010 1.2951 1.4399 1.0527 1.0864 1.4046 0.6092 0.2285 1.4260 0.1154 0.8859 1.1341 1.1795 0.8111 0.7201 0.3589 0.2417 1.7768 1.8024 0.2575 0.4924 1.4774 2.6978 2.4444 2.0225 1.2299 1.4084 1.8954 1.7876 1.9766 1.4432 0.8414 1.3661 glycochenodeoxycholate glucuronide (1) 0.4994 0.3838 0.2969 0.7992 1.0429 0.3660 2.9212 1.0930 1.4913 0.3400 1.2734 2.7344 2.4037 1.3272 0.9767 1.5595 0.6236 1.0875 0.3656 0.2291 0.5260 0.2228 0.1779 0.1779 1.2162 0.1779 0.5972 1.3229 1.7933 0.4573 1.4019 2.6378 0.9013 0.8018 3.0256 0.7056 2.3966 3.3248 0.4894 0.4014 3.2538 2.2455 1.2120 0.6305 1.7936 2.5437 2.1158 3.2372 0.9951 0.7777 1.0659 0.5100 0.3796 0.2512 1.4057 1.1699 0.7884 1.0049 0.6125 1.2606 0.8252 0.7462 0.4444 0.2652 10.0765 9.9945 0.8111 1.4460 0.1779 0.1779 glycocholate 0.0787 0.0787 0.0787 1.0901 1.3180 0.2388 1.2834 0.4947 0.6052 2.8487 0.6339 2.3689 0.9561 0.3598 0.6580 2.6506 0.0787 0.0787 0.0787 0.2192 0.3497 0.0787 0.8754 1.2223 0.7272 0.0787 0.7346 2.2638 0.8576 0.2410 0.5308 0.9982 0.9771 0.9605 2.5719 0.7902 0.6431 1.1497 2.3538 2.4901 1.0764 0.9923 3.0494 0.5787 0.4800 0.8090 0.3366 2.6549 1.1430 1.5327 1.9475 1.3389 1.9001 1.0018 1.4855 1.8392 0.5473 0.8529 0.3978 0.7816 3.7762 4.4386 1.8003 1.7953 2.3099 1.0689 1.1321 2.3651 0.0787 0.5690 glycocholate glucuronide (1) 0.1470 0.2008 0.1470 0.1470 0.6083 0.4292 4.9401 11.7973 0.5644 0.1470 1.2084 3.9068 1.5105 1.8309 0.2688 0.5338 0.1470 1.3105 0.2094 0.2054 0.5578 0.3042 0.1470 0.1470 4.4323 1.5137 1.0280 1.8697 17.0012 2.3909 1.1698 2.2012 0.5195 0.3588 0.9008 0.3259 1.0688 3.7245 1.0002 1.2021 2.8488 7.8843 0.7294 3.0616 0.6687 1.0484 0.9878 3.6392 0.7649 0.6117 1.9207 0.6979 0.3347 0.1595 0.6157 0.9998 0.3965 0.5902 1.3722 1.8395 0.3320 1.0861 0.6996 0.2416 6.2845 6.1553 0.6987 2.0201 1.1773 0.5314 glycocholenate sulfate* 0.4453 0.7040 1.0120 1.3393 1.3452 0.8129 1.1588 3.4983 0.4546 0.6445 0.7068 1.3741 0.5438 0.7482 0.4594 1.2281 0.3450 0.8829 0.7084 0.9880 0.3438 0.3843 0.1815 0.4357 1.4824 0.6483 1.0379 1.1248 0.9540 0.8298 0.7942 1.1709 0.3800 0.4737 0.9040 0.9132 1.0430 1.1313 1.2890 1.3288 1.1481 1.5844 2.1041 3.2367 0.6911 1.1525 1.2420 1.2590 0.2858 0.5917 0.5014 1.2785 1.1024 1.3844 1.0774 1.2927 0.6647 1.7975 0.8826 1.7827 1.4999 2.2481 0.8478 1.5166 1.8777 2.9527 0.8964 1.8788 0.5674 0.9847 glycodeoxycholate 0.1037 0.1037 0.1037 0.1037 1.0027 0.1037 1.3747 0.1037 0.1037 0.1037 0.4094 0.7584 0.5159 0.1037 1.2545 2.8180 0.1037 0.1037 0.1037 0.1573 0.1037 0.1037 0.1037 0.1037 0.1037 0.1037 0.1760 0.1037 0.5657 0.1037 0.3341 1.0208 0.1691 0.1037 1.2368 0.1037 0.9778 1.4283 0.9973 0.5177 2.3529 1.4390 1.1441 0.1037 1.2926 1.4450 1.2178 1.7797 0.1037 0.3825 1.4227 0.6913 0.4687 0.1037 2.7690 1.6020 0.4455 0.5888 0.5128 1.1090 0.3880 0.5298 0.1037 0.1037 3.6269 1.1868 0.9263 3.1612 0.1037 0.1037 glycodeoxycholate 3-sulfate 0.4714 0.6218 0.4200 0.6382 1.4825 1.1245 1.1782 1.4515 1.7210 0.4904 1.4182 2.7563 1.1008 1.3038 1.3783 3.1363 0.0951 0.4521 0.6461 0.6156 0.1265 0.1179 0.1393 0.1069 0.9794 0.2972 1.2874 2.1179 1.4055 0.7025 0.7511 2.1035 0.6666 0.9367 1.0908 0.4994 2.1103 3.7873 1.0206 0.9556 2.2154 2.1117 0.9235 0.6295 1.6459 3.9402 1.0805 3.9255 1.8329 1.3858 0.7713 0.4343 0.2691 0.1634 2.8605 2.1334 0.4506 0.7409 1.2975 2.6225 0.5434 0.8013 0.1255 0.0863 6.0372 6.5974 1.2907 2.2288 0.7255 0.7618 glycohyocholate 0.2132 0.2132 0.2132 0.8422 0.3999 0.2132 0.7718 0.2132 0.8715 1.0694 0.2132 0.3330 0.2132 0.2132 0.5475 5.0853 0.2132 0.2132 0.2132 0.2132 0.2132 0.2132 0.2132 1.1058 0.3769 0.2132 0.3184 1.5207 0.4375 0.2132 0.5752 1.6344 0.2420 0.2132 1.7511 0.5705 0.2132 1.0487 1.0000 1.4515 0.4420 0.2132 1.8516 0.2132 0.2132 0.4033 0.2132 1.4018 0.8961 0.4324 2.2175 1.6595 2.0229 0.6162 1.3151 2.6664 0.2132 0.3854 0.5521 1.1205 2.3873 2.1026 2.7704 2.9130 0.2132 0.2132 0.2132 0.2132 0.2132 0.2132 glycolate (hydroxyacetate) 0.2208 0.9475 5.2487 1.5327 6.5808 3.3806 3.6860 2.4916 1.0302 0.7241 1.7329 4.5278 0.5634 0.0690 0.3853 0.3707 0.0402 0.2225 0.3473 0.8526 2.4361 0.5942 0.0275 0.3378 4.5236 0.3080 4.3787 0.6273 1.9337 0.4711 1.3891 2.6057 0.4873 0.0275 3.8601 2.5372 1.3442 1.4932 1.0181 0.4634 0.8762 0.6362 2.4433 0.6112 1.1830 1.9537 0.9819 0.6778 0.8905 1.0221 1.4868 1.6954 1.6730 1.5549 1.7382 0.6887 0.8133 2.0588 4.0891 0.9005 1.7653 2.1136 1.1493 0.5369 0.3754 0.2869 0.1689 0.1396 0.0275 0.1174 glycolithocholate sulfate* 0.2220 0.5855 0.1798 1.0439 1.4194 0.7285 0.8200 1.7476 0.1018 0.2266 0.7537 2.3300 1.4281 1.3687 0.8256 1.5561 0.2023 0.2317 1.1171 0.7926 0.1171 0.2178 0.2068 0.4810 0.5068 0.3329 0.4322 1.5891 1.4653 0.9092 1.1650 3.0054 0.2836 0.4923 0.9967 0.9292 1.6949 2.4599 3.0961 1.3155 1.4474 2.6994 1.2656 1.1797 1.0286 3.4235 0.7503 1.0904 0.5168 0.2334 0.7121 1.0033 0.1130 0.2556 1.6666 2.4184 0.3053 0.4213 1.2845 3.2277 1.1340 1.7094 0.2814 0.5269 1.2500 4.3989 1.9413 2.6608 0.7196 2.1246 glycoursodeoxycholate 0.1856 0.1856 0.1856 0.1856 1.3517 0.4785 1.0486 1.4364 0.1856 0.1856 0.1856 0.1856 0.1856 0.5887 0.6366 1.4391 0.1856 0.1856 0.5181 1.1640 0.1856 0.1856 0.1856 0.1856 0.5641 0.1856 0.1856 0.1856 0.1856 0.1856 1.8639 5.5129 1.1039 0.9514 0.5983 0.3595 0.5466 0.4235 0.1856 0.1856 2.6639 4.5294 1.7918 1.8346 6.1817 4.3788 0.7501 1.5810 0.1856 0.1856 0.5252 0.1856 0.8844 1.9792 2.1995 0.9192 0.6618 0.6165 0.6230 1.0614 0.9259 0.7961 0.1856 0.1856 2.4005 5.4327 0.1856 0.1856 0.1856 0.1856 guaiacol sulfate 0.2763 1.2812 0.2339 0.6114 0.7791 0.8737 0.2868 0.4349 0.8880 1.1838 0.9081 0.8724 1.1240 0.6539 1.3850 1.6002 0.1462 0.3648 2.9183 0.9763 0.5361 1.1334 1.1342 0.5264 0.7558 0.7070 0.4270 1.0868 0.5158 0.5792 0.6031 1.0790 0.8228 0.7996 2.0810 1.2661 0.7555 1.0237 0.8946 1.4058 2.8403 2.4909 3.1195 3.6109 1.6364 1.4271 1.3201 1.3904 2.5599 1.4830 0.6050 0.6190 0.8527 0.7812 2.7608 2.7347 0.7842 1.5593 0.3299 1.4371 1.2112 0.8527 0.6505 1.4174 0.9395 1.7036 1.0842 1.2141 2.1473 2.6584 guanidinoacetate 0.9252 0.8087 1.4808 0.7169 1.0113 0.8744 1.7595 2.3598 0.8681 1.2013 1.1712 2.6017 0.6110 0.6634 0.2641 0.4290 0.7346 1.4496 0.3961 0.4252 0.7114 0.2128 0.4944 0.8871 2.0652 0.9158 0.8949 0.9015 1.6074 0.9692 1.0661 1.7933 0.5757 0.7085 0.7404 0.8020 1.4067 0.8265 1.1457 0.8903 1.2651 2.6390 1.0225 1.5920 1.7762 2.8770 1.6288 1.4243 1.3332 1.2194 0.9865 1.7834 0.9262 1.0003 1.0742 1.2271 1.5175 2.2757 1.3787 1.5209 1.1299 0.7590 0.9443 1.1874 0.2234 0.4353 1.1267 0.8093 0.9997 0.8029 guanidinosuccinate 0.4250 0.8595 2.0227 1.8314 2.2557 2.5959 0.9443 0.8739 1.1517 1.6860 2.2535 9.3078 0.7493 1.0931 0.9969 1.2816 0.3393 0.5619 0.5605 0.6703 0.9854 0.8588 1.3315 1.0997 2.3653 0.5864 0.9160 0.7207 0.7942 0.4364 0.7780 1.2595 0.6481 0.7541 0.6196 0.5245 0.8754 0.9707 1.5043 1.8129 0.7297 0.9422 1.2350 2.0478 1.2374 1.1398 1.0089 0.9736 1.7022 1.3413 0.8011 1.0154 1.2095 0.9350 0.9740 1.4037 0.9176 1.1631 0.8643 1.1447 1.4128 1.1255 1.0031 1.1502 0.9454 1.1345 0.8391 1.7738 1.4576 0.8064 guanine 0.9929 0.9694 0.7177 1.0889 1.5223 1.1496 1.0107 2.6179 0.8938 1.4753 1.8125 0.2105 0.5142 0.4909 0.5908 0.8561 0.0869 0.2551 0.4887 0.4743 0.5918 0.7630 1.1373 1.5235 1.9160 0.4580 1.5994 1.1409 1.0226 1.1151 0.9834 0.8693 0.9396 0.4922 0.3659 0.0148 1.5672 1.4337 0.8520 1.1591 1.0071 1.5654 0.3002 1.5139 0.7910 0.5051 1.3015 0.9106 1.3326 1.0831 1.3238 2.0143 0.9469 0.7415 0.8165 1.3396 1.7572 2.5714 0.9174 1.1902 1.4333 0.7466 0.7861 0.2782 0.8699 2.1778 1.1808 1.4787 2.0392 1.7509 guanosine 0.7515 1.3666 0.4104 0.2949 0.9386 0.5342 0.4692 1.0742 0.7133 1.1528 1.3786 1.1826 0.2358 0.5331 0.4753 0.5491 0.6089 4.1696 0.6434 0.2534 2.3918 3.1973 1.1756 0.7767 4.4188 2.5156 0.8959 0.8058 1.5418 1.5005 0.5012 0.5699 0.4467 0.5241 1.2486 0.8325 0.2358 0.4911 1.6500 2.2237 0.2358 0.7678 0.2358 1.0614 0.4441 1.1462 1.5065 1.8483 0.2358 0.2358 0.6185 0.8493 1.2815 1.2310 0.2358 0.8237 1.1675 2.2612 1.8242 2.4801 3.4594 3.7182 0.3477 0.4215 0.2358 0.2358 0.2358 0.2358 3.1167 2.3015 guanosine-3',5'-cyclic monophosphate (cGMP) 0.5690 1.0983 0.8420 0.6496 1.7161 1.2151 1.4046 2.5656 0.7428 1.0171 0.8631 0.8149 0.5478 0.7493 0.2231 0.5926 0.3204 0.6285 1.0221 0.9307 0.9140 0.8063 0.9330 1.1553 0.8013 0.5072 0.9559 0.6964 1.1556 1.0302 1.0665 1.0000 0.6408 0.4304 0.9678 0.5186 1.0874 1.3474 1.5824 1.7132 1.0433 1.2855 1.1661 0.9622 0.6195 0.8798 0.7540 1.0630 0.6720 1.0198 0.6701 0.8406 1.1171 1.4602 2.0397 1.8901 0.6085 1.0236 1.0804 1.0360 0.9246 1.4303 1.6275 1.1612 1.8454 2.4135 0.7913 0.2231 1.3465 1.0887 gulonate* 0.3652 0.7800 3.1200 2.0549 3.2870 1.6834 2.2762 1.2589 0.3668 0.9870 1.5478 6.0075 0.6754 0.7609 0.5082 0.6996 0.1744 0.4816 0.5171 0.6772 1.7201 0.9853 0.9826 1.0760 2.6387 0.4185 0.8753 0.7441 0.8139 0.7379 0.5644 0.7227 0.4926 0.4231 1.5719 0.9296 2.0845 0.8717 1.1401 0.9373 0.6023 1.3586 1.3135 1.2784 0.5651 0.2553 0.9674 0.7074 1.2338 1.6294 1.1765 1.4015 0.5652 1.2686 1.7651 1.7623 0.6732 2.0761 0.8833 1.2716 1.5041 1.6297 1.6438 1.6962 2.1006 2.1452 0.1524 2.8489 1.6082 1.0130 heptanoate (7:0) 3.5445 3.1820 0.4729 0.7103 0.7725 0.5684 0.4475 0.9927 0.4320 0.6490 0.2463 0.1013 0.6497 4.5489 0.9809 1.1459 7.1888 13.2290 1.9406 1.5647 0.4720 1.2316 2.6834 1.9774 0.6722 5.9575 0.3637 5.5365 1.0073 0.9608 0.7579 1.6647 0.4168 4.4805 0.4138 0.4887 0.1013 0.1013 5.0900 4.0753 0.1013 0.1013 0.1013 0.1013 0.1013 0.5672 0.1013 0.1013 0.1013 0.1013 0.1013 3.1404 0.1013 13.4831 0.1013 0.1013 0.1013 0.1013 0.1013 6.7999 0.9558 0.1013 0.1013 0.4778 1.1013 0.1013 0.3696 5.3129 0.1013 3.0873 heptanoylglutamine 0.1314 0.9339 1.6504 1.3935 0.2147 1.2888 0.3902 4.3917 0.6774 0.8964 1.0087 2.4633 0.1314 0.1314 0.3742 0.2695 0.1314 0.1314 2.0322 0.6982 0.1816 0.5440 1.5784 1.4856 1.1734 0.1314 1.0375 0.9315 0.4656 0.2696 0.2955 0.3305 0.6523 1.0771 1.7505 0.5222 1.1421 1.9749 0.5085 0.4856 1.8795 1.7830 2.2641 2.4153 0.6572 0.9478 0.5783 0.7231 2.5332 0.7023 0.5510 0.9913 0.9651 1.3913 0.2620 1.4733 0.9397 1.1549 0.5902 0.5244 1.5775 3.4321 1.6587 2.0640 1.4344 1.0453 3.6701 3.9065 1.8728 0.1314 heptenedioate (C7:1-DC)* 1.0537 2.7774 1.7467 1.0090 0.8017 1.1399 0.3973 2.0607 1.6649 2.9845 0.9248 1.9297 0.2213 1.0907 0.7969 0.6543 0.2265 0.8721 0.6865 0.5085 0.6922 0.9616 1.5221 1.3896 0.8086 0.4922 1.2306 1.4997 0.8895 0.7093 0.8702 0.4973 0.5528 0.6126 0.9910 0.5960 1.4629 1.4248 0.2761 0.5753 0.8753 1.2721 1.2842 2.4260 0.7578 1.0852 0.9477 0.8831 1.4431 0.7895 1.1430 1.0371 1.4451 1.0449 1.3723 1.5741 0.7091 0.8224 0.5464 0.5663 1.4846 1.4512 0.8410 1.0098 1.1152 1.2583 1.5873 0.9533 3.3898 1.1080 hexanoylcarnitine (C6) 0.7155 2.5009 1.9440 1.1143 0.6994 1.1536 0.5537 2.0690 0.4689 1.1605 1.2011 1.7802 0.2902 0.8681 0.6465 0.6799 0.2817 1.5724 0.6768 0.4568 0.4545 0.9573 2.1062 1.5930 1.3320 1.1512 0.4865 0.6436 0.9965 0.5576 0.6623 0.4571 0.4554 0.5043 1.2664 0.7818 2.4816 1.5266 0.4964 0.7339 1.1890 1.0433 1.6790 1.4513 1.1898 1.3472 1.0035 1.3544 1.1000 1.0371 0.8503 0.8024 0.4256 0.7198 0.4561 1.3032 0.8835 1.7543 0.6299 0.5102 0.8053 1.8450 1.4940 2.3675 0.9632 1.7164 1.1924 1.8803 1.7410 0.5779 hexanoylglutamine 0.3146 2.7250 2.5333 2.7820 0.2402 2.1879 0.6232 8.2435 1.0036 1.4353 0.7833 2.5062 0.0975 0.5801 0.6706 0.4964 0.1345 0.9902 2.3759 1.0005 0.1625 0.7841 1.8697 2.3729 1.7113 1.0130 1.3998 0.8976 1.1507 0.5843 0.1839 0.4555 0.9858 1.6486 3.7245 1.2315 1.0941 2.2135 0.4853 0.8856 0.9455 1.5764 1.3139 2.5847 0.3988 1.0095 0.2498 0.4391 2.9039 0.8072 0.4758 1.0481 0.9233 0.6464 0.2728 1.8728 0.7051 1.1680 0.9688 0.9653 0.9995 3.6134 1.8844 2.9773 0.4341 0.9899 2.9103 3.4372 2.7283 0.5939 hexanoylglycine (C6) 0.3541 2.5818 1.7884 1.1933 0.9328 5.9967 0.4623 2.7608 1.0880 1.4096 1.2951 3.6947 0.2105 0.4889 0.3801 0.3604 0.4808 1.7272 1.0775 0.7125 0.2025 0.6832 0.7451 0.7999 0.7779 0.4198 0.5803 0.4688 1.3684 0.9810 0.3371 0.5079 0.9206 1.7509 5.5637 2.0537 0.8629 1.1826 0.4370 0.7068 1.5079 2.2918 0.8681 1.5793 1.2230 1.8459 0.4812 0.6757 1.8023 1.2169 0.3794 0.4328 0.6016 0.5312 0.2531 0.5804 1.3660 2.1278 1.5285 1.1045 0.8558 1.9339 1.4922 2.2667 0.5036 1.0190 4.5286 4.5772 2.2035 1.1314 hippurate 0.7669 1.2230 0.2714 0.3881 0.8322 0.7241 0.8163 1.2083 0.1625 0.2625 0.6997 0.7488 0.6409 1.2866 1.1198 0.7192 0.8352 1.3203 2.5299 0.5977 0.5626 1.2299 1.6134 1.0364 0.9921 1.2734 0.6297 1.4340 1.1383 0.9031 0.7106 0.7578 1.2144 1.0079 1.4249 0.7133 1.9207 1.3678 1.9129 2.3021 1.9689 1.4592 2.7134 2.1927 0.7357 0.4738 1.1061 0.8941 2.2544 1.2150 0.9203 0.9853 0.8437 0.9807 0.7530 0.6210 0.4778 1.2709 0.3709 0.9422 1.6883 0.8807 1.3824 1.1187 1.7213 1.2044 1.0383 2.2643 1.7285 0.8543 histamine 3.1805 4.7063 0.7442 0.8672 0.7728 0.4243 0.8980 1.6415 1.2201 0.8625 8.2912 0.4922 0.6251 0.3228 0.3860 0.5397 0.1803 0.1803 0.2969 0.8187 2.2649 3.1112 0.7076 0.7997 2.6656 46.2442 1.3361 22.5561 1.0000 0.7234 1.4041 0.9901 0.1803 0.1803 1.3637 0.4921 2.0887 3.7794 1.5671 2.0469 3.3226 2.3271 0.4431 0.1803 0.9278 0.9981 0.1803 0.6478 4.4125 7.9537 3.4330 1.4029 4.0860 3.3565 1.6517 0.6876 0.8862 1.0348 3.2956 8.9987 1.0728 0.9975 0.2957 0.3766 0.6163 1.1964 0.6059 0.4896 0.1803 0.1803 histidine 1.6392 1.7460 1.3107 1.0924 0.4470 0.3851 1.6650 3.0116 1.2035 0.7845 0.5164 0.7476 1.2795 1.6021 0.7908 0.7057 1.5824 3.1808 0.5880 0.5480 0.4908 0.4198 0.9384 1.1176 1.2924 1.4508 0.7477 1.2842 1.0505 0.6096 0.5019 0.8015 1.0060 1.4849 1.7562 1.0967 0.7992 1.3744 1.3018 1.0329 0.7686 0.9940 0.5751 0.7968 0.8624 1.1749 1.8402 1.3638 0.7731 0.5591 1.2611 1.5683 0.6873 1.2674 1.1056 0.7841 0.7626 0.7596 0.5453 0.3726 1.1635 1.0321 0.6204 0.3857 1.1810 1.2833 0.5512 0.3252 1.0910 0.8214 histidine betaine (hercynine)* 2.6077 1.6705 0.1007 0.3713 0.6794 0.6323 0.1007 0.3562 0.1007 1.9158 0.2014 0.6608 1.2436 1.6978 0.1007 2.6960 0.1007 2.4544 0.8563 0.8117 0.2405 1.0235 24.7707 1.5372 0.1007 0.9146 0.5186 1.2296 0.7095 0.6070 0.1007 1.7542 0.6727 0.9765 0.3490 1.3925 0.1007 1.7671 1.4687 0.1007 1.2905 1.3870 0.1007 1.1857 0.5468 0.1007 0.1007 2.0619 0.1007 0.5120 0.1007 0.1007 0.7217 0.1007 0.1007 0.1007 0.1007 1.1606 0.7870 0.5854 1.2261 0.8902 0.1007 0.1007 1.0731 0.1007 1.0698 0.1007 0.1007 0.1007 homoarginine 6.3230 5.8218 6.7801 3.9158 0.0973 0.1426 2.9102 2.3782 1.1709 0.5976 1.1055 0.6381 0.7072 1.2302 0.7808 0.8222 2.8924 3.6356 0.2703 0.3109 0.2933 0.2025 1.9107 1.8448 0.5163 0.4399 1.4496 2.0117 2.9628 0.5614 0.2939 0.3564 0.7232 0.7458 0.2195 0.2567 5.9515 5.0099 0.5953 0.4269 1.0701 1.5412 4.5299 5.4190 1.6449 2.4158 7.5743 4.6365 1.3215 0.9299 0.5065 0.7952 0.8852 0.7859 0.5375 0.9000 6.1317 3.8364 0.3863 0.2769 4.0399 1.8777 0.2962 0.2728 0.9176 1.1540 2.5997 0.9045 1.6558 1.1300 homocarnosine 0.2842 0.9653 0.8674 0.8608 0.5654 0.9503 0.5394 1.5224 1.4520 2.7832 1.0044 1.0209 0.2096 0.4117 0.9348 0.6299 0.8511 1.2443 1.3468 1.0971 0.9408 0.8365 0.8499 1.1788 0.7882 0.6508 2.2118 2.4318 1.3195 1.0571 0.5288 0.7036 0.3380 0.6139 0.9956 0.8137 0.9650 1.2228 1.1445 2.0749 0.3281 0.6044 1.7614 3.3883 0.4327 0.9244 0.6565 0.6323 0.7918 0.8961 1.0325 1.3338 0.7564 1.7273 1.0495 1.7273 0.6054 1.2219 1.2569 1.1872 3.0818 2.2190 1.6891 0.8317 1.0633 1.3811 1.1402 1.7034 1.5048 1.1052 homocitrate 0.8196 2.9881 0.5862 0.9331 1.0712 1.6589 0.7047 2.2000 0.5928 1.6607 0.7464 1.9518 0.7279 1.4699 0.5383 0.9097 0.6229 3.1040 1.0167 0.7488 0.5564 0.8958 1.7668 1.5935 0.6015 1.1769 0.6084 0.8975 0.8946 0.9496 0.5594 0.8705 0.4631 1.1663 1.2609 0.6587 2.2585 1.6152 0.5464 1.3204 0.5801 1.5198 0.8217 1.4833 0.6243 0.9760 1.0152 1.0455 1.3123 0.8839 0.8377 1.1336 0.8796 0.7184 0.8627 1.1991 0.7530 1.1121 1.0657 1.2231 1.0954 1.5136 0.9124 1.3091 1.7528 1.7781 1.1980 1.7541 1.9207 0.9848 homocitrulline 0.9407 1.5955 1.0263 0.7911 0.2746 0.5102 0.3692 0.6010 1.7451 2.1965 0.7274 1.1172 1.0262 1.9959 0.9240 2.3779 0.9249 3.2860 0.5199 0.9008 0.8127 1.8232 1.2620 1.8024 0.5079 1.1494 0.5209 1.5092 0.7001 1.0872 0.4063 1.2312 1.1652 1.8293 0.8551 2.2034 1.9569 2.6950 0.8597 1.0171 0.4592 2.5509 0.6803 1.3457 0.6212 0.9789 6.1775 4.2483 1.9274 1.1757 0.7823 0.7347 0.8492 0.7827 0.4915 0.4396 0.7909 0.9829 0.4522 0.8103 1.4009 0.9395 1.2395 0.6665 1.8217 1.5710 1.6780 0.6099 2.2333 1.3265 homoserine 0.5817 0.7721 0.7707 0.5522 2.5903 1.0011 1.0289 0.5234 0.5593 1.2519 1.0464 2.3091 0.8976 0.5869 0.8038 0.5860 0.2967 0.5872 0.4537 1.0773 1.7806 1.1427 0.7174 0.2967 1.3460 0.9252 0.7417 0.9902 0.8185 1.0969 0.8377 0.5686 0.7056 0.3767 0.7447 0.6350 1.4134 1.8687 1.5939 0.8740 1.9040 1.4002 0.6119 0.9647 1.2233 1.4302 0.9610 1.3687 0.6155 0.9255 0.7501 2.4149 0.8444 1.2506 1.1773 1.1644 1.9456 1.6150 0.2967 1.2005 1.2187 1.1518 1.1864 1.2111 1.8910 2.6237 0.6930 1.7461 1.7150 0.9989 homostachydrine* 1.0160 1.2108 2.8683 0.6692 3.3944 1.1462 0.4478 2.4769 0.6262 0.2348 0.5275 1.1871 2.1796 1.4201 1.6111 0.7236 1.1096 1.1869 1.3993 0.4407 1.1707 0.7107 3.5828 2.4174 3.2577 1.4937 1.3282 0.7197 0.7787 0.2757 0.9998 1.0000 0.9678 0.9289 0.9374 0.5428 0.8200 0.2827 0.1312 0.1312 1.1949 0.1312 6.3113 0.1312 7.5719 8.3035 0.3354 0.1312 0.1312 0.1312 1.1406 0.8112 0.6565 6.0644 0.8689 0.1312 0.9045 1.5440 2.2746 0.5304 0.1312 0.4193 2.7201 0.8412 0.1312 0.1345 1.2620 0.4778 0.1312 0.1312 homovanillate (HVA) 0.4555 0.6987 0.8457 0.9168 1.1358 1.0204 0.5150 0.8676 0.6501 1.4397 0.9913 1.0161 0.7666 0.6833 0.5690 0.9127 0.3335 0.7450 1.1571 0.7483 0.6201 0.9310 1.0715 1.0099 0.9356 0.5941 0.7796 0.9307 1.0488 0.9217 0.7126 0.9163 0.4929 0.4798 2.5488 0.7025 1.4155 1.5085 1.3892 1.1981 1.0269 0.8892 1.3113 1.4114 1.3754 0.9899 3.8891 1.0223 1.0087 1.6418 1.3125 1.7958 0.9295 0.8539 1.3623 1.4554 0.7774 1.5278 0.6444 1.0841 1.2563 1.3913 1.0720 1.3730 1.0613 1.2404 0.8769 1.5436 1.5405 0.9788 homovanillate sulfate 0.3848 0.5615 0.6969 1.0000 1.1924 1.1807 3.0581 3.4201 0.4962 1.0230 0.8478 1.4410 0.3195 0.5198 0.4851 0.5835 0.2569 0.7349 1.3598 0.5056 0.4905 0.6038 1.4076 0.6973 0.6819 0.3001 1.8094 0.9402 0.6415 0.5884 0.7843 0.9566 0.9841 0.4842 4.7503 0.8066 0.2569 1.0677 2.7966 2.2314 0.2569 1.3611 2.1169 2.5109 1.4544 0.2569 6.9217 0.7653 1.4191 0.2569 2.3091 5.2380 2.0212 1.5934 0.2569 1.5328 0.4760 0.7046 1.0912 1.9925 1.0978 0.2569 0.2569 2.0197 1.2441 0.8316 0.6818 1.5708 2.8719 0.9624 hydantoin-5-propionate 1.1042 1.7860 1.2704 1.4569 0.5453 1.2892 0.7877 1.0206 0.5381 1.0333 1.9033 1.1971 0.4487 2.0049 0.5559 0.6039 0.2216 0.6113 0.5840 0.8332 0.5609 0.8904 1.0524 1.5202 0.7696 0.7163 1.4274 1.4491 0.4818 0.6180 0.5434 1.0224 1.3414 0.9675 0.9794 1.4226 0.9604 1.3339 0.9519 1.1442 1.3263 1.5843 0.6748 1.2479 0.6967 0.8669 1.2040 1.7143 1.3895 1.1089 0.4518 1.1443 1.1942 0.6047 0.6979 2.3685 0.5152 0.8731 0.5040 1.0387 0.9572 0.8730 1.0420 1.2927 1.5300 0.7165 0.5123 0.2904 2.7013 1.3929 hydroquinone sulfate 0.3144 0.6036 0.5405 3.3223 0.9774 1.2886 0.4886 2.2088 0.6827 1.8525 0.5506 0.7190 0.6030 0.8326 0.2967 1.4989 0.0853 2.2061 0.5076 1.4672 0.4980 0.7927 0.8780 1.1730 1.3287 0.4135 1.2319 0.7905 0.3915 1.5498 0.4341 1.7336 0.9883 1.0717 1.8520 1.6362 0.5656 2.9038 3.9409 4.3474 0.9287 2.2509 1.6062 2.7780 0.5858 1.2328 0.9205 1.6327 0.6643 1.5011 0.3249 2.4078 0.4105 0.8924 1.0117 1.7687 0.1599 2.6490 0.0961 2.1851 0.3736 1.7733 1.2451 2.3764 0.4646 1.2755 0.2759 0.5203 4.1899 2.9698 hydroxyasparagine 1.0012 1.6948 0.9850 0.9810 0.6338 1.0400 0.7046 1.6409 0.3421 0.9826 1.0005 0.5753 0.3563 1.2802 0.6790 0.8449 0.7550 1.6382 0.8459 0.5688 0.7273 1.1047 1.5863 1.3811 0.7267 0.9726 0.5627 1.0842 1.0879 0.9772 0.4199 0.6203 0.3713 0.8859 1.2848 0.6826 1.2229 1.3187 0.8652 1.0043 1.0281 1.2947 1.1902 1.3521 0.9611 1.1364 0.8105 1.2003 0.9741 1.0392 0.7850 1.0799 0.9995 0.8572 1.1258 1.4659 0.8816 1.3563 0.6201 0.6984 1.1491 1.1983 1.2105 1.2633 1.1086 1.4263 0.9009 1.1203 1.3809 0.8908 hydroxy-N6,N6,N6-trimethyllysine* 0.5035 1.0969 1.0022 0.8697 0.8061 0.6971 0.6715 1.2812 0.7570 1.0864 1.3048 1.0064 0.7132 0.8044 0.8798 0.8260 0.4455 0.8937 0.7905 0.5785 0.8731 0.5935 0.9822 0.8741 0.7690 0.5091 1.1614 0.8313 1.7300 1.0895 0.6071 0.7612 0.5918 0.4632 1.3518 0.8354 1.2403 1.2444 0.9978 1.1339 0.8929 1.2430 1.4817 1.3593 1.0852 1.3063 1.1380 1.4670 1.2305 1.2360 0.9445 1.1279 1.2235 0.7765 1.1766 1.6545 1.2495 1.9289 0.6435 0.9042 1.5451 1.1823 1.7211 1.3455 1.0800 1.2673 0.5309 0.8315 1.3724 0.9567 hypotaurine 0.7493 1.7661 2.8996 2.4485 0.4748 0.3676 0.3891 1.6867 0.8815 1.5900 1.1241 1.4340 0.5828 1.0704 0.7300 0.8441 0.3676 1.9912 2.0416 2.7233 0.9327 0.8307 2.3816 1.7757 2.0440 3.1734 0.3676 0.6288 0.9598 0.8814 0.8943 0.9555 0.7556 1.8999 1.0445 0.8149 0.3676 0.3676 1.0000 0.3676 0.3676 0.3676 0.5130 0.3676 0.4778 0.9680 0.3676 0.3676 0.3676 1.2355 0.3676 1.3867 0.3676 0.3676 1.2067 0.3676 0.3676 0.3676 0.3676 0.3676 0.3676 0.3676 0.5502 0.3676 0.3676 0.3676 1.2418 0.3676 0.3676 0.3676 hypoxanthine 0.8907 0.4624 1.0832 0.7527 1.0362 2.3937 0.5802 2.3597 0.7130 0.6964 1.0924 0.6833 0.2840 0.7348 0.3101 0.4743 0.1344 0.4630 0.2774 0.4162 0.1930 0.3276 1.0384 1.4214 1.0952 0.4304 1.2312 1.5361 0.7709 1.0093 0.9513 0.6043 0.4985 0.5035 0.3527 0.7573 1.5169 1.0609 1.4084 2.1831 0.5602 1.5208 0.8922 1.1908 1.7039 1.3917 1.3912 1.2753 1.2202 0.9907 0.7713 2.3172 0.5756 0.6089 0.4617 1.7744 1.6870 3.3017 1.3180 1.8839 2.1159 1.4567 0.5265 1.9558 0.3706 1.2349 0.6613 1.0970 3.0780 2.6043 ibuprofen acyl glucuronide 0.6746 688.1684 2.2669 0.8354 0.0393 7.0810 4.8686 12.4250 0.0393 0.1246 4.2768 5.0796 1.0000 20.3415 0.0422 9.7054 0.0393 0.3526 0.6344 0.0525 0.4988 1.0687 0.0778 0.0831 0.2595 0.0393 0.4628 0.0393 0.3115 0.0393 0.0393 0.0393 464.8582 0.3565 5.7063 2.1174 0.4090 0.6864 0.0393 0.0393 0.1640 0.1747 0.1173 0.0960 491.6634 583.1301 1.1349 3.1366 25.9590 19.7089 0.5184 0.4742 1.3499 0.0393 1.6063 2.4694 10.0058 364.5766 0.6932 0.0393 0.8426 1.4760 0.0907 0.1111 4.3670 6.6637 11.0433 0.1642 9.1296 0.3152 imidazole lactate 1.6757 1.6873 0.7313 0.8730 1.1944 0.9872 0.6682 1.2579 0.6923 1.1446 0.5670 0.4653 0.9743 2.7126 0.5733 0.8792 1.8850 4.7280 0.6225 0.8366 0.5088 0.9119 1.5149 1.4576 0.7028 1.7935 1.2869 2.8374 0.7077 1.3445 0.6929 0.9719 0.4555 1.5841 0.5879 0.8027 2.1969 1.9694 0.9122 1.2663 0.8655 1.6746 0.6128 1.6285 0.8746 1.0927 2.0156 2.2397 2.1472 1.4262 0.9217 1.9762 1.0128 0.8543 0.5208 1.6469 0.4599 0.8061 0.5632 0.9761 1.4615 0.9801 0.7001 0.8819 2.4110 2.6721 1.0733 2.3242 4.5610 2.2033 imidazole propionate 1.2069 0.9891 1.0109 1.2540 1.2122 0.8549 0.4658 0.5873 1.6900 1.8514 2.3410 1.4496 0.3787 0.9482 0.8025 0.7773 0.7612 3.7093 0.5562 0.7165 0.4494 0.5075 1.5163 0.6815 0.9873 1.5385 1.0176 1.6340 0.8213 0.7415 0.9735 0.7785 1.8963 1.2879 0.6241 0.7409 1.1752 1.0899 1.7290 2.3049 0.8400 1.6445 0.4898 1.3047 1.1367 1.1897 1.5083 0.5721 1.8482 0.9587 0.8988 1.0222 2.1794 0.7532 1.0952 2.1327 0.6947 0.5847 0.9333 0.6605 1.3257 0.9322 0.7749 0.7624 1.2186 0.9307 1.3487 1.8533 4.2708 2.9633 indole-3-carboxylate 0.2002 0.9522 0.7712 0.2002 0.2970 0.2002 0.4287 0.8802 0.9900 0.3038 0.2002 1.0422 0.8061 1.4362 0.2002 0.2002 0.2002 0.2002 0.2002 0.7143 0.2002 0.2002 0.2002 0.3095 0.4373 0.2002 1.0100 0.2002 1.3536 0.4245 1.0314 0.6785 0.2002 0.2002 2.8367 1.1793 1.1087 1.5008 1.5132 1.1961 0.4589 1.3507 1.6596 1.6281 0.6415 0.7392 1.9787 1.9302 1.9000 1.0848 0.7376 0.3772 0.2002 0.9781 0.6953 0.8707 1.4673 0.5829 0.5268 0.5161 1.1073 1.0923 1.1814 0.7980 3.3972 1.7538 0.7941 1.1419 3.2848 1.1044 indoleacetate 0.1134 0.0795 0.3456 0.1501 3.0538 1.0252 0.3540 0.9160 0.1627 0.4932 0.0636 0.1649 0.8333 1.1092 0.7973 0.9616 1.0482 1.1086 1.3495 2.4039 0.0935 0.3565 0.5249 2.3937 1.0622 3.8334 1.1044 5.3035 0.7166 1.8166 2.1332 1.8619 0.9404 1.9217 0.2496 0.7342 2.0513 1.0230 3.0468 2.9858 0.6412 3.0511 0.1181 0.9642 0.3579 0.9770 1.3160 0.8315 0.1345 0.2003 1.0843 1.9783 1.4414 6.8999 3.7922 1.7046 0.4733 1.3782 1.4081 3.6563 1.0746 0.6873 0.2139 0.8888 0.8807 0.5609 1.1721 3.3346 0.3778 1.8245 indoleacetoylcarnitine* 26.4372 13.5971 7.1219 0.7786 0.9400 0.1001 0.4092 1.2055 5.4022 0.2058 0.1815 1.6716 1.0542 0.2944 0.3771 0.0816 2.8220 0.8968 4.4040 0.1048 0.1636 0.0816 10.2064 0.9545 5.6399 1.5112 3.2585 0.9639 4.8127 0.0926 0.6704 0.9889 2.3748 0.4609 4.0848 0.3121 0.4515 1.2202 0.3001 0.0816 0.2759 0.2915 3.9744 0.1689 2.3838 6.9566 5.8806 1.4299 0.1080 0.7556 1.3654 0.2013 1.0000 4.2349 0.2330 0.0816 2.9947 1.3304 0.8570 0.0816 7.2295 1.2173 0.6253 0.0816 1.2382 1.7781 1.0909 0.3100 3.6200 0.3060 indoleacetylglutamine 2.1153 3.7960 0.5269 0.4839 0.5660 0.4549 1.3788 2.1336 1.5440 2.1184 1.1837 1.2280 0.6775 0.6569 0.1155 0.2338 0.1553 0.6051 0.5061 0.3516 0.5745 0.4206 0.8964 0.7147 4.6399 2.2067 2.9196 2.3360 1.1230 0.5384 0.7209 0.8747 2.0888 1.2219 0.8638 0.7394 1.1804 0.9777 1.1801 1.5820 3.1140 3.8553 1.4483 1.0884 1.5006 1.8343 1.3042 1.3810 0.4152 1.5825 0.7724 0.7341 1.0702 1.4267 1.1759 0.4070 1.5859 2.5918 0.3972 0.4957 1.4879 1.0223 0.5482 0.5972 0.8797 0.8921 0.9615 1.5575 0.7999 0.6496 indoleacetylglycine 1.5054 3.0986 0.4432 0.2449 1.7135 0.6067 0.8964 1.4326 0.9129 1.1081 1.0235 1.1382 0.8999 0.3332 0.1518 0.1518 0.1518 0.1518 0.1518 0.2068 0.4506 0.1518 0.1923 0.2621 3.4325 1.4938 1.4021 1.2376 0.9455 0.7497 0.8486 0.7563 1.3217 0.5749 0.7075 0.7055 1.2122 1.3142 2.0263 4.9352 3.1179 4.1366 1.2930 0.8991 2.5060 2.2400 1.1058 1.0352 0.4647 1.5660 0.6363 1.1514 1.1416 1.9793 0.9765 0.1899 1.9452 2.2820 0.8644 1.2577 1.0973 0.7558 0.4937 0.5851 0.8258 0.5234 0.8284 1.0379 0.1518 0.5868 indolelactate 0.7479 1.7387 1.0228 0.8660 1.2510 0.9071 1.4507 2.5668 0.7468 1.9629 0.3291 0.4640 2.1962 1.6131 1.2733 1.6113 0.7544 1.3258 2.9805 0.9072 0.3111 0.7221 0.4138 0.8140 0.2594 0.4620 6.4293 6.1883 0.4881 0.5750 0.7796 0.6906 0.5997 0.6714 0.7268 0.5385 1.5251 1.9164 0.6948 0.4940 0.7688 0.7801 1.0650 1.3598 0.5695 0.4203 2.0570 1.2834 1.4345 1.5806 1.5929 1.8428 0.9065 0.9772 2.2747 2.9265 0.7517 1.1636 3.3098 4.5886 0.9511 0.5368 0.8176 0.7828 1.1875 1.1132 1.7115 2.8496 2.8490 2.5050 indolepropionylglycine 0.2265 1.5438 0.0315 0.0178 3.6000 3.7375 0.8484 3.4073 0.1365 0.6283 0.8052 1.4106 1.1087 2.0034 0.0740 0.2400 0.2801 1.9431 1.2975 1.5553 1.8556 1.6971 0.3652 1.9056 0.5262 0.7539 0.1610 1.4456 1.1758 3.5692 0.4435 0.5668 0.1718 0.2562 1.2947 1.3381 0.7682 1.5394 3.0020 2.8902 0.9670 1.3889 1.1047 1.4186 1.0330 1.8759 0.1628 0.6925 0.1148 0.6182 0.6776 1.7347 0.2376 1.1261 0.4553 0.5517 0.5411 3.9854 0.4651 1.8789 0.6199 1.3641 1.2842 1.2582 0.2881 0.5729 0.7761 1.2885 0.7686 1.6657 indolin-2-one 1.0518 1.3877 0.7802 1.3175 0.2094 0.3010 0.4773 0.9926 0.4757 0.4098 1.3548 0.5193 0.8221 0.7640 1.1808 1.4983 0.7345 0.2094 1.1079 0.4690 0.5225 1.0000 0.9384 0.3640 1.9578 1.5087 1.4366 1.2966 0.9189 0.3850 1.0246 1.2831 0.7339 0.7915 0.7686 0.9617 1.2649 0.9919 0.4148 1.2096 1.4221 1.0248 1.5102 1.3093 0.9783 1.2739 0.8772 1.0832 1.4786 1.0464 1.1222 0.5934 1.4698 1.2117 1.3439 1.3419 0.7370 0.5033 0.9095 0.8210 2.1509 0.9253 0.6763 1.3187 0.9058 1.0432 1.2290 1.4375 1.0241 0.4976 indoxyl glucuronide 1.6966 2.1137 0.9946 1.0947 0.2393 0.3725 0.1172 0.2048 0.4807 0.4571 2.7073 1.0369 1.6941 1.5252 1.8942 1.9311 0.9988 0.6207 0.4412 0.3371 1.0012 1.6885 1.6002 0.5987 2.0032 0.9933 1.5142 0.8508 1.3566 0.4259 0.7346 0.7049 0.6053 0.5475 0.7293 0.8733 0.9964 0.7821 0.3201 1.1078 1.5647 0.9232 2.4906 1.5091 2.1102 2.4676 1.0169 1.0740 2.7847 1.8330 1.2195 0.9120 1.5503 1.3933 1.9766 2.0187 0.7836 0.6204 0.2039 0.2196 1.1282 0.5274 0.2767 0.7131 1.3201 1.2929 1.1525 1.1041 0.2006 0.2256 inosine 0.7185 0.8612 0.7670 0.5814 1.0676 1.5001 0.5489 1.7311 0.6013 0.8015 1.0641 0.9369 0.3213 0.9704 0.4671 0.7589 0.4602 1.5982 0.6768 0.5666 1.0018 1.4586 0.9982 1.3616 2.9232 2.5340 0.9898 1.3786 1.3306 1.3814 0.5832 0.7397 0.6839 1.0186 1.4217 1.1084 0.7885 0.8482 2.1567 2.7054 0.5521 1.4097 0.7156 0.9477 1.1508 1.2196 1.4971 1.6093 0.7797 0.8172 0.6868 1.4322 0.9583 1.0679 0.7010 1.6496 1.4328 2.5543 2.1716 2.9918 3.7898 3.5410 0.7019 1.2161 0.5137 0.9076 0.5020 0.7953 3.9746 3.1456 isobutyrylcarnitine (C4) 1.3188 0.9925 1.0075 0.7049 1.2920 0.5873 0.3444 0.6390 1.2108 0.3128 0.4928 0.6865 0.7574 0.5827 1.8710 1.0308 1.0666 0.6550 0.9358 0.7392 1.0450 0.7301 1.4371 1.1730 1.6376 0.9452 1.0397 1.0449 0.7871 0.6683 1.2205 1.1360 1.7754 1.2277 1.2713 0.8780 0.8719 1.0540 1.1333 0.6416 0.9911 0.7728 1.3129 0.9206 1.8352 1.6706 4.4030 3.4812 2.1485 0.6375 1.1921 0.7293 1.4047 1.3215 0.5685 0.6473 0.9815 0.9498 0.7370 0.5601 2.4515 0.8835 1.0192 0.8290 2.0692 1.5663 0.3427 0.4658 2.4328 1.8167 isobutyrylglycine (C4) 1.0763 0.9945 0.4783 0.4408 4.5576 1.9107 0.5410 0.4429 1.7348 0.6546 1.5156 1.3017 1.7525 0.8442 0.8397 0.6622 1.2171 0.8803 0.4601 0.6771 1.6492 1.0159 0.3435 0.3262 1.0185 0.4187 0.5826 0.5596 1.0407 1.1426 1.8491 0.7795 1.7283 1.2891 1.3467 1.6411 1.0534 0.6718 0.5868 0.6469 2.8364 1.8628 1.1686 1.1514 2.9417 1.3910 3.4705 2.9585 2.0163 1.3021 0.6653 0.2646 0.9196 0.7616 0.7548 0.4602 0.9890 1.0098 0.6594 0.8549 1.7061 0.7439 0.5524 1.1733 1.0122 0.6400 1.0055 0.6162 0.8890 1.1395 isocaproylglutamine 0.3304 1.3330 0.8092 0.6557 0.5383 1.0046 0.8650 8.0770 0.5432 0.7657 0.9958 1.0152 0.2145 0.5915 0.6045 1.4668 0.1560 0.6623 1.1998 1.2991 1.1375 1.4158 1.0042 4.1816 1.7925 0.6482 1.1184 1.1352 0.6057 2.0969 0.2958 0.4172 0.5369 0.4705 1.3778 1.1234 0.8403 2.9404 0.8092 0.9562 2.5910 2.0325 1.6735 2.3772 0.4838 0.9201 0.3406 0.6926 1.0650 0.9857 0.6227 0.8901 1.1041 0.9931 1.0877 2.0679 0.6308 1.6160 0.6636 1.0719 1.5964 1.8487 1.4062 2.2399 0.5384 0.9309 1.7591 2.0018 1.8258 0.8707 isocaproylglycine 0.5325 1.7312 0.8947 0.5500 2.9842 3.6380 0.5768 2.5795 0.7461 0.8797 2.0783 2.0423 0.4879 0.6633 0.4126 0.9509 0.7774 1.5692 0.6820 1.0196 1.4734 1.2088 0.5191 1.2193 1.1180 0.4364 0.5719 0.5933 0.9146 3.5953 0.5067 0.3912 0.6304 0.6335 2.1695 1.8979 0.6252 1.3055 0.6807 0.8067 3.1453 2.6419 1.2769 1.5906 1.1604 1.4255 0.7841 1.1433 0.8731 1.3150 0.4746 0.3131 0.7026 0.6105 0.8845 0.9331 1.3115 2.7539 1.0756 1.1221 1.3095 0.9804 1.0248 1.4775 0.6285 0.9387 2.1533 1.7767 1.3410 1.1031 isocitrate 0.9345 2.4102 1.0844 1.0135 0.8355 1.1427 0.8628 1.8444 0.4223 1.4205 0.6139 0.9865 0.5199 1.6836 0.9231 0.8931 0.6122 2.0076 1.2079 0.6795 0.5891 2.9274 2.1398 1.6470 0.7370 1.1368 0.7397 1.5071 1.0687 1.2375 0.3099 0.6030 0.5967 2.7460 0.9492 0.7378 0.9316 1.5621 1.5708 3.0410 0.5217 2.0284 0.2694 3.0416 0.7522 0.7174 1.5661 1.7124 1.7289 0.4998 0.8141 1.1822 0.8329 0.7441 0.4511 2.3917 0.4309 0.3584 0.7259 0.5571 1.3929 1.2988 0.7966 0.7950 1.9324 1.9987 1.0140 4.5465 5.5847 2.8017 isocitric lactone 0.2768 0.6510 2.6274 2.0547 2.0675 2.4578 2.0786 2.0119 0.8002 1.5212 1.1332 7.5561 0.6209 0.5239 0.5209 0.7113 0.1153 0.3300 0.5863 0.4974 1.1095 0.8007 0.4761 0.6662 2.7489 0.1741 0.9098 0.4086 1.6982 0.8031 0.3696 1.1255 0.4679 0.3266 2.7987 1.4300 1.4277 2.1454 0.7119 0.6908 1.4100 1.7646 0.8836 1.6587 0.5011 0.5586 0.6459 1.5476 2.1581 1.0007 0.9993 1.1122 0.9727 0.7016 0.8451 1.2492 0.8347 1.0549 0.5409 0.7786 1.8475 1.8515 1.3038 1.0422 2.3406 2.2096 1.2994 1.9408 1.5223 0.6297 isoeugenol sulfate 1.3628 1.0000 0.1963 1.5705 10.1467 0.4847 2.6655 2.2047 0.4997 1.3554 0.4319 0.5785 0.2524 0.1963 0.9716 0.4787 0.1963 0.1963 0.4146 0.6025 3.1794 2.3861 0.1963 0.1963 0.2206 0.1963 0.3683 0.1963 0.1963 0.5274 1.3852 0.4917 3.0865 1.3614 2.4373 1.2485 0.3947 0.8989 0.5960 1.2599 0.4610 0.4747 1.8418 0.8306 1.1633 0.1963 0.3335 0.3467 0.2202 1.2224 1.4411 1.5749 1.3123 2.1171 0.9507 0.3056 0.7207 1.0623 1.0503 2.7931 1.4026 3.2032 1.6571 4.5553 0.1963 0.4616 8.9863 0.5757 0.1963 0.3548 isoleucine 0.7454 0.9115 0.8261 0.7512 0.8260 0.6657 0.9776 1.4141 0.5991 0.7415 0.8223 0.8301 0.3918 0.7055 0.5606 0.5490 1.1635 2.3389 0.5565 0.6190 0.8486 0.7682 1.0819 0.8637 1.0593 2.3574 0.8961 1.0643 1.0907 0.7163 0.7317 0.9764 0.6479 0.9661 1.3063 0.8112 1.2880 1.5362 1.4683 2.2404 1.3116 1.6771 1.4428 2.1630 0.9929 1.1120 1.6714 1.0427 1.3111 1.4477 1.1387 1.5293 1.0071 0.8732 1.0609 1.6390 0.9062 1.2060 0.6210 0.6562 1.1562 1.3976 0.9845 0.9922 1.2085 1.3259 0.7291 1.3899 2.9844 1.4217 isoleucylhydroxyproline* 0.9142 1.3672 0.4133 0.4999 1.2172 0.9935 0.7098 1.1628 0.4032 0.8267 1.1208 1.2197 0.6954 0.9160 0.8772 0.9279 0.6292 1.4989 0.7176 0.8503 0.8679 1.1885 0.9897 1.0541 1.0090 1.2471 0.9545 0.9704 0.8644 0.7075 0.6520 1.0463 0.5598 1.0065 1.0240 1.0656 1.0138 0.9366 1.0129 1.5064 0.6644 0.9368 0.7590 1.0908 0.8924 1.2358 1.3660 1.1277 0.4032 0.9840 0.8930 1.5355 1.5422 1.3321 1.1957 1.1704 0.7470 1.6531 0.4855 0.8372 1.3902 2.0141 1.0518 1.2065 1.5670 1.5525 0.8855 0.9162 0.4032 1.4441 isovalerylcarnitine (C5) 2.5846 0.8494 4.1892 1.1569 1.0412 0.5858 0.3807 1.1228 0.7588 0.5308 0.5475 1.1681 0.5739 0.4993 2.2007 0.5062 2.6995 0.9588 9.5084 1.3446 0.2398 0.5274 4.1542 1.2195 3.2347 1.1369 1.1125 0.8103 1.1625 0.5244 0.5636 0.6613 0.9473 0.5983 2.5413 0.6198 0.5800 0.6724 1.1307 0.6249 1.5637 0.7728 2.2011 0.9041 1.9848 4.4806 3.3866 1.8912 0.5335 0.5056 1.8458 1.0580 1.8055 2.9088 0.5325 0.5936 0.8891 0.6921 3.0602 0.6289 5.8164 1.4159 0.9289 0.2599 1.7129 1.8310 0.6481 0.7349 5.1720 1.1032 isovalerylglutamine 1.0851 1.1554 0.5883 0.7738 0.8992 0.5333 1.2868 1.3427 0.8898 0.5758 1.0940 0.8785 0.9199 0.7283 2.7448 1.6165 0.2396 0.3656 1.1000 1.6200 0.4712 0.5071 1.1442 1.0385 2.4154 0.9995 1.2948 1.1937 0.4694 0.4494 1.5042 0.8783 1.4498 0.9263 0.7116 0.5794 0.7151 1.0005 1.7385 2.3862 1.6757 2.1992 0.6006 1.4948 0.6250 0.6627 2.3323 3.8046 1.7202 0.5426 1.2220 0.6982 3.8500 2.0684 0.6712 2.2086 0.7593 0.5856 0.9197 0.7464 4.7566 1.2216 0.4271 0.8393 3.5443 1.6980 0.4237 0.4141 3.9355 2.3961 isovalerylglycine 1.2134 1.1141 0.6986 0.6969 3.5886 1.1496 0.7979 0.8818 0.9626 0.4730 1.9674 1.4700 1.7421 0.6714 1.1296 0.7801 0.6314 0.5027 0.8060 1.3621 0.5848 0.3420 0.5586 0.4616 1.9488 0.6843 0.9760 0.7274 0.8290 0.7093 2.0828 0.7822 1.5157 0.8381 1.2662 1.0240 1.2223 0.6650 1.1625 1.3957 3.3118 1.3522 1.1644 0.9344 1.8887 1.2479 2.7341 3.0384 0.8605 0.9625 0.8571 0.5028 3.0881 1.9237 0.6967 0.8784 1.0966 1.3164 1.8882 1.5947 3.0863 1.2005 0.5765 0.9673 1.7956 0.9724 0.4243 0.4621 1.5488 1.0888 isoxanthopterin 2.1451 3.7989 0.4013 0.4013 0.5138 0.4013 0.7549 0.9627 0.4139 1.4957 0.4368 0.4013 0.8787 1.5719 0.8876 1.1602 0.4021 0.6250 0.8995 0.5207 0.6923 0.7655 2.4258 1.3711 1.1324 0.9776 1.0136 1.2392 0.8181 1.3990 0.8119 0.8670 1.0515 1.5152 0.4392 0.4013 0.6136 0.6773 1.3344 1.5768 1.6442 1.4713 0.4013 0.4013 0.4013 0.4828 1.8384 2.7432 0.7085 0.7257 1.0388 1.0000 2.7433 2.3487 0.9750 1.8930 1.2702 2.0966 0.7703 1.3160 0.8684 0.7421 2.1478 0.4013 3.1845 3.3622 0.4013 0.6326 2.2977 0.8661 I-urobilinogen 0.2268 0.2268 0.2268 1.4155 0.6565 0.2268 0.8303 0.8344 0.2268 0.3735 0.2268 0.2268 0.2268 0.2268 0.2268 1.0323 0.2268 0.2268 0.2268 2.9211 0.2268 0.2268 0.2268 0.2268 0.2268 0.2268 0.2268 0.2268 0.3675 0.9838 2.5916 0.6746 0.2268 0.2268 0.2268 0.3377 0.3667 0.2268 0.7485 1.0264 0.2268 2.3358 0.2268 0.2268 0.2268 4.1513 0.2268 0.2268 0.2268 0.2268 1.0162 32.9177 0.2268 0.2268 0.2268 0.2268 0.2268 0.2268 0.3188 0.2268 0.2268 0.2268 0.2268 0.2268 0.2268 0.2268 1.7423 5.8389 0.2268 4.2668 kynurenate 0.9781 1.0900 0.6902 0.7912 1.2695 0.9399 1.3138 0.7678 0.4532 0.6228 0.7713 0.7683 0.6782 0.7987 1.5199 1.1339 0.5812 0.8737 0.7229 0.7955 0.8316 0.7888 1.3547 1.0548 0.5550 0.7879 1.6285 1.7493 0.5971 0.6191 1.4163 0.8140 0.8917 0.8509 0.7747 0.6753 1.0924 0.8429 0.9004 1.0592 1.7348 1.3257 1.7232 2.1406 1.6601 1.1593 2.0900 1.5719 1.1285 0.9000 1.1936 1.0968 1.4377 1.1479 1.7053 1.7554 0.9945 1.4898 0.5358 1.0055 1.4463 1.0316 1.4846 0.9643 0.9655 0.8282 0.6438 1.3229 1.1354 1.0580 kynurenine 2.2059 5.7689 1.4470 1.4453 0.8709 0.6990 1.3741 1.6126 0.7097 0.6674 0.3114 0.7379 1.1741 1.7364 0.8196 0.8752 0.9208 2.4207 1.5503 1.4302 0.2388 0.2566 1.3131 0.8202 1.0331 1.4880 1.0851 1.2247 0.4581 0.4093 0.2594 0.4354 0.7834 0.7773 1.0424 0.6776 0.7517 1.4849 0.7050 0.9152 1.4766 1.8925 1.2124 1.6918 0.8116 1.0398 1.6592 1.4912 0.9669 0.5755 1.5332 2.0320 1.5752 1.8953 20.2930 3.9115 0.4929 0.8665 0.5225 0.7169 0.7137 0.9356 2.6536 1.1810 0.7617 0.6795 0.4211 0.4654 1.5372 1.1926 lactate 1.1981 1.1253 1.0276 0.9906 1.4615 0.5032 0.6211 1.4282 0.5992 0.9259 2.7673 1.5026 0.6306 0.4175 0.2163 0.8466 2.3756 7.7549 0.3192 0.5353 0.9721 0.9984 1.0195 1.4008 1.0978 5.2517 0.4703 1.4144 0.9717 0.4336 0.4484 0.2896 0.3861 0.5404 1.4170 0.6595 1.2383 3.2677 2.0643 2.6866 1.2329 1.1193 2.1095 2.8506 0.7079 1.3108 1.8861 0.7516 0.8627 5.8710 1.2479 1.1616 0.5054 0.4079 1.2958 0.6732 0.4415 0.9313 0.6332 0.7825 2.2487 0.8578 0.6190 1.0016 0.6153 1.0924 0.3435 1.7507 3.6582 1.9527 lactose 0.4229 0.4937 0.9330 0.8754 4.2159 0.7833 1.2209 1.3562 0.6237 0.9238 1.3771 5.5713 1.2362 0.7907 0.8307 0.8838 0.8614 0.6996 0.3497 0.6212 1.2380 0.5194 0.8537 0.8148 1.5043 0.3573 1.0352 0.7041 0.6728 0.5690 0.9152 1.0941 0.5677 0.2827 1.0920 0.3945 1.3910 1.4344 1.1265 1.2073 1.0474 1.6100 1.3334 2.3059 1.2027 1.0106 1.0111 0.9894 0.9365 0.9740 1.0634 1.1159 1.6708 0.5978 1.2854 1.6241 0.7497 1.1274 0.7017 0.7469 1.1425 0.8909 1.4500 0.8864 1.0671 1.3271 1.2893 1.5496 1.4524 0.6775 lanthionine 0.5829 1.1334 0.6715 0.7437 0.8584 0.9644 0.4387 0.9546 0.3296 1.1587 0.9364 0.5408 0.3862 1.0558 0.8080 1.1745 0.3012 1.0428 1.3946 0.9374 0.7933 0.9362 1.3315 0.9885 1.3907 0.9168 0.5052 1.0084 1.0026 0.7470 0.3290 0.5844 1.2539 0.9841 4.0661 0.5886 1.3837 1.3199 1.0584 0.9974 1.1176 1.3907 1.8316 1.3694 0.8033 0.7714 1.0730 1.9116 1.1319 1.6709 0.8294 0.8706 1.1146 0.6166 1.0739 1.1944 0.6428 1.1205 0.6621 0.7486 1.3109 1.6748 2.2261 1.0477 1.6251 1.3424 0.7357 0.8080 2.3413 1.1929 laurylcarnitine (C12) 0.6733 2.8190 2.1896 1.5062 0.4609 2.1760 0.7415 2.0577 0.6462 1.5443 1.4907 2.1827 0.4690 1.4654 0.8213 0.8395 0.1558 1.2412 0.5944 0.4186 0.3983 0.9752 3.1439 3.1968 1.5792 0.9750 0.7814 0.9214 0.6303 0.3186 0.1558 0.2926 0.6132 0.8111 1.7645 0.7030 1.6328 0.8849 0.1558 1.0714 3.2851 1.6589 1.1741 0.8199 0.6178 1.7171 0.6038 0.6935 1.8283 1.1119 0.2298 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 1.0944 0.1558 0.3539 0.1558 1.0248 1.2814 2.5543 0.4702 1.3598 2.7956 5.1511 0.1558 0.1558 leucine 0.7112 1.2351 0.9818 0.9330 0.7548 0.5196 0.9860 1.3755 0.7492 0.7048 1.0242 0.9430 0.5313 0.7644 0.6379 0.6252 0.8573 1.7952 0.5286 0.5494 0.7342 0.7465 1.0601 1.0723 0.9146 1.0703 0.9948 0.9817 1.0761 0.7018 0.7312 0.9195 0.7026 0.7561 1.2586 0.9064 1.0718 1.4184 1.2051 1.2935 1.0909 1.1781 1.2710 1.4015 0.9745 1.1673 1.5581 1.0052 1.1823 1.5922 1.1695 1.4261 1.0549 0.7644 1.2752 1.3920 1.1212 1.3791 0.6572 0.7419 1.3170 1.3626 0.9320 1.1009 1.3138 0.9345 0.6626 0.8757 1.9605 1.1803 leucylhydroxyproline* 0.8338 1.1794 0.4584 0.6113 0.9685 0.7124 0.7590 1.6102 0.3159 0.7764 1.3064 1.6859 0.6075 1.0001 0.8917 1.0414 0.6533 1.8400 0.7128 0.8579 0.7933 1.1208 1.1191 1.2473 1.5582 1.2412 0.8587 0.7954 0.9999 0.9018 0.6799 1.1077 0.5962 0.7003 1.1468 1.2526 1.0225 1.2223 1.1560 1.8153 0.8187 1.1744 0.7136 1.4906 0.9083 1.3180 1.3245 1.4983 0.7037 0.7733 0.8519 1.4141 0.9554 0.9561 1.2853 1.5132 0.7724 1.4816 0.5530 0.8677 2.1326 2.6250 1.6456 1.9765 1.8187 2.2736 0.8806 1.3817 0.6485 0.9393 levulinate (4-oxovalerate) 0.4369 1.7023 1.6408 1.3600 2.8845 1.3684 0.9023 2.3737 0.8858 0.9603 0.7085 1.3644 0.6001 0.5259 1.1317 0.9306 0.2241 0.2241 0.5311 0.5778 0.5676 0.7963 0.8849 1.1211 0.8803 0.4302 0.9139 0.5792 0.6578 0.2241 0.5053 0.8644 0.8482 0.4258 3.9545 1.1333 1.2337 1.2964 0.4618 1.0699 1.4683 0.9148 2.4677 1.4735 1.5477 2.2221 0.7026 0.7473 2.2351 1.3562 1.0364 1.3211 0.8954 0.6821 1.2693 1.4441 1.1700 2.7230 0.6302 0.5412 1.7969 3.0770 1.8796 1.8927 1.0000 0.8461 1.5623 0.2971 1.0125 0.2241 lithocholate sulfate (1) 0.1977 0.6373 0.1977 0.1977 0.9061 0.8446 1.0656 3.6768 0.1977 0.1977 0.2227 0.4215 0.6472 1.1193 0.3889 0.5575 0.1977 0.1977 0.5266 0.6029 0.1977 0.1977 0.1977 0.2998 0.3609 0.1977 0.1977 1.1391 1.8259 1.1365 3.8448 3.6354 0.1977 0.1977 0.3421 0.8065 1.8406 1.1203 4.6681 0.9337 0.3307 1.0546 0.5701 2.5198 2.0558 1.0000 1.1625 0.9891 0.1977 0.2354 0.4680 2.4118 0.1977 1.1011 2.1892 1.8316 0.1977 0.3110 0.7931 2.7489 1.0221 0.9047 0.3420 1.1580 1.0142 4.9281 0.3635 1.1680 0.1977 2.1157 L-urobilin 1.0215 1.4616 0.2966 0.0847 0.4725 0.3936 0.3041 0.9113 0.0847 0.0847 0.2573 1.6361 0.6842 1.8446 1.9241 3.3218 0.0847 6.3381 0.4032 1.2389 0.0847 0.1814 1.3821 6.0326 1.4432 0.4123 0.0950 1.1706 1.5093 0.3157 2.0902 2.8407 0.5307 3.3320 0.0847 0.9785 2.5767 2.6293 0.6788 0.8604 0.5401 1.8256 0.0847 0.0847 0.3389 0.6018 0.0847 0.3134 0.0847 0.0847 0.5766 0.8088 2.3195 1.1493 2.1217 0.1978 0.0847 0.3813 2.2088 1.5993 0.0847 0.0847 0.0847 1.6477 0.5990 4.1624 0.0847 0.0847 0.0847 0.0847 lysine 3.8183 3.5047 6.1051 3.3917 0.6740 0.4542 2.2913 2.5471 0.9669 0.6857 1.4689 1.5450 0.7538 0.9069 0.8494 0.5772 3.2065 4.6169 0.5854 0.5331 0.5540 0.4689 1.6022 1.8233 0.8875 0.9151 1.2412 1.3804 3.1165 1.0258 0.4447 0.5454 0.9720 1.0512 0.8554 0.5299 2.9686 3.5849 0.9872 1.0128 0.9722 0.8733 2.2010 1.9929 1.2153 2.1236 2.3161 1.5825 0.7570 0.7747 0.9459 1.1053 0.9713 1.1964 0.8827 0.8895 6.9099 5.2006 0.7750 0.5207 3.1951 2.0093 0.8049 0.6693 0.8468 0.9158 1.2568 0.8313 1.8767 1.4274 malate 0.2917 0.5138 3.5931 3.2936 7.7133 6.8133 1.4689 1.6054 0.5704 1.6049 0.7250 11.0755 0.9727 0.6154 0.3451 0.3389 0.2113 0.5296 0.6324 1.5805 1.0945 0.8175 0.9026 1.4085 4.4822 1.0273 0.6139 0.4610 0.8939 0.7237 0.2423 0.5187 0.4136 0.7128 1.6990 1.1901 1.9128 3.5720 2.1758 1.9101 3.1266 1.5425 0.7038 1.4251 0.8867 1.7287 0.6431 1.7154 0.7707 0.8067 1.5846 2.4988 0.6349 1.2130 0.6908 0.7490 0.5577 1.5234 0.3553 0.5125 0.6695 1.7965 1.9205 3.2389 2.2754 1.5832 2.0164 3.3820 0.8366 0.7871 maleate 0.3032 0.5722 1.0870 0.7922 0.9958 1.0900 1.0042 2.3731 0.5881 1.5711 0.7426 0.7714 1.4426 0.7904 0.5352 0.7227 0.1836 0.6135 0.6068 0.8766 0.7115 0.6247 0.6584 0.9652 0.7151 0.5318 0.7528 0.6085 1.2538 0.9462 0.4277 1.0263 0.5750 0.4450 1.3651 0.7901 1.2862 1.6446 1.1462 1.3206 1.6611 1.5096 1.2074 1.6617 0.9484 1.2525 1.1342 0.9304 1.3191 1.7721 0.9860 1.6652 0.6509 0.7912 0.8035 1.2231 0.8355 1.7005 0.5406 1.2566 1.2343 1.5459 1.4821 1.3315 3.5098 1.5340 1.1809 3.8445 1.4441 1.1143 malonate 0.7465 1.7888 0.6554 0.6857 1.8802 0.7439 0.9971 1.4610 0.3072 1.9763 0.5903 0.6700 0.5370 1.5660 0.4635 0.9841 1.0534 2.6628 1.1968 1.4093 0.4560 1.2114 0.8420 1.4850 0.4602 3.2841 0.6586 2.1024 0.8162 0.8911 0.7459 1.0487 0.6778 2.9330 1.3096 1.0236 1.0029 1.4160 1.6620 3.7866 0.8122 0.3072 0.5724 0.3072 0.7659 0.8636 1.4836 1.7692 0.8572 0.5741 1.1594 2.2998 0.7983 0.9947 0.6488 1.7073 0.7371 0.8882 0.7447 0.9562 1.2966 1.2679 0.9013 0.9728 1.5868 1.7673 1.1639 1.7894 2.3726 2.6824 malonylcarnitine 1.1564 3.4211 0.6708 0.8223 0.8714 0.8333 0.3821 1.1005 0.1765 0.7062 0.5115 0.5138 0.4667 3.6073 1.1364 0.9580 2.9483 5.9280 1.7071 0.6363 0.4821 1.0000 7.2130 2.2527 0.3022 1.7653 0.3106 1.4171 0.5384 0.5352 0.2287 0.5905 0.2921 3.2977 0.7646 0.4620 0.3356 1.6078 1.2681 3.0414 1.2148 4.4984 0.1765 3.9346 0.5559 0.3681 2.4685 2.6772 2.3187 1.4522 1.0239 1.2675 0.7477 0.1765 0.2998 2.5666 0.5099 0.5438 0.3110 0.2655 1.0224 0.9277 0.1765 0.3021 2.1499 2.1989 1.0419 3.8296 4.8183 2.4217 mandelate 1.7051 4.9284 0.6590 1.4009 5.4792 3.3321 0.4845 1.1749 0.5735 0.8392 1.1994 0.2647 0.6176 0.6742 0.3024 0.5223 1.1193 3.2709 0.3563 0.2606 0.2879 0.5215 2.1777 4.5255 8.4067 15.6500 0.4838 0.4966 1.1234 1.8727 0.9196 1.0020 1.2138 1.0051 11.3374 9.3278 2.0707 2.4851 2.1804 2.0197 0.4707 0.4520 0.3671 0.7031 0.8008 0.3003 2.7624 4.1515 0.9018 0.8940 3.5222 4.2747 1.0351 4.1686 0.9891 1.0454 0.9366 12.5914 0.6196 8.3131 0.8300 0.3135 0.9980 6.0709 0.9885 0.7819 0.6898 1.9646 0.6789 0.7517 mannitol/sorbitol 1.0281 0.9016 1.1638 0.7304 4.9302 0.9151 1.9553 1.1382 0.7748 1.4073 0.8769 1.7556 3.0791 0.8341 0.4454 0.7129 0.2823 0.7447 0.8097 0.6514 0.9352 0.6840 7.6862 1.0077 0.6196 0.6946 0.8148 0.8377 1.3135 0.8840 0.7497 0.9855 0.4277 0.4295 1.1278 0.6750 1.3173 1.3939 0.8797 1.2540 0.9206 1.8262 0.9207 1.6378 0.9923 0.7923 1.2934 1.8011 1.1247 0.9209 1.0195 1.0195 0.6154 0.8159 1.1375 2.0169 0.8959 1.1331 1.2386 0.7722 1.6399 1.2075 1.3404 0.8414 3.7354 1.6453 1.0590 1.3017 1.7891 1.0676 mannonate* 0.3091 0.6887 2.1520 1.4378 1.1510 1.8030 0.9659 1.3179 0.4787 1.0494 1.3199 1.9968 0.5110 0.7098 0.5483 0.7304 0.2424 0.5012 0.3967 0.5731 1.0038 0.9740 0.8479 0.8502 1.0142 0.3369 0.8036 0.6513 0.7510 0.8065 0.5808 0.7595 0.3886 0.3194 0.8656 0.8497 1.7806 1.8518 0.9212 0.9133 0.9962 1.1947 1.0342 1.2008 1.1872 1.0822 0.8756 1.4855 1.2097 1.1993 0.8210 1.0886 0.9516 0.8730 1.2661 2.0198 1.1774 1.7775 0.6561 1.0722 1.2745 1.2367 1.4070 1.6889 1.0044 1.4259 1.1211 2.1536 1.4545 0.9676 mannose 0.5626 0.3004 1.1983 1.1793 0.3004 0.7077 0.8897 1.7568 0.8855 1.0134 0.3004 0.4638 0.7635 1.1917 1.8306 1.7258 0.3004 0.8565 0.5208 0.5552 0.4460 0.6405 1.3135 1.2636 8.5490 16.0833 5.8135 8.2699 0.6619 0.7726 0.4779 0.7891 0.3004 0.3004 0.8578 1.1480 1.0653 0.3004 0.3004 0.3004 0.3004 0.3004 0.3004 0.3004 0.8536 0.7277 1.5952 0.3004 0.3004 0.3004 0.8332 0.3004 2.4895 2.5726 0.3004 2.0381 1.2867 1.9341 0.4800 0.3004 1.0000 0.8398 1.2850 0.7403 0.3004 1.3501 0.3004 0.3004 0.3004 0.3004 mesaconate (methylfumarate) 0.2743 0.8790 2.2519 1.7684 1.6982 1.6829 1.3828 1.0798 0.5122 1.4986 1.1211 3.9144 0.8358 0.6838 0.7568 0.8381 0.1194 0.4552 0.4934 0.5659 0.8843 1.1217 0.9332 0.8696 2.0773 0.5244 0.8876 0.8626 0.9611 0.5413 0.3949 0.8149 0.6318 0.4789 1.9366 0.9690 1.2920 1.5897 0.8741 0.8724 1.3258 1.7432 1.1040 1.5857 0.8512 0.8836 0.7889 1.8152 1.1551 0.8622 1.1035 1.6610 0.8011 0.7773 1.0762 1.5341 0.6808 1.0760 0.6111 1.0310 1.3902 1.7053 1.3691 1.2190 1.4526 1.5796 1.0918 1.4482 1.3088 0.5664 methionine 1.1447 3.0218 0.7741 0.6238 1.6221 0.9743 0.5174 1.5576 0.5820 0.8442 0.5345 1.0100 0.6251 1.2931 0.5478 0.7018 1.8830 3.3014 0.5421 0.5654 1.1478 0.5128 2.7797 0.8359 1.0387 2.0476 0.7772 1.1407 1.0962 1.3104 1.3104 0.6228 0.7323 1.0312 1.5404 1.0475 0.8208 1.0925 1.5115 3.7539 0.9486 1.6193 0.8441 2.8281 0.8414 0.8730 2.3362 1.6223 1.5060 0.7409 0.9900 1.4940 0.8853 0.7332 0.7741 2.0426 0.6821 0.8291 0.7179 0.6772 1.5056 0.9186 0.8729 0.8015 1.2662 1.1060 0.5946 1.1777 5.3360 2.8891 methionine sulfone 0.8063 0.9300 0.7765 0.8071 0.9832 0.7583 0.5588 1.3466 0.3915 0.5667 0.6697 1.1250 0.7700 1.3511 0.7118 1.1072 1.1837 2.9509 1.1081 1.2781 0.6998 0.6010 1.0656 1.8758 0.9306 1.1463 0.5020 0.7377 0.9719 1.0095 0.6286 1.1852 0.8426 1.4825 1.6637 1.1306 1.0671 1.3123 1.5278 0.9764 1.5032 1.2290 0.8357 0.9800 1.1486 1.6955 4.7816 4.4114 0.4293 0.9446 0.7405 1.0841 1.2560 1.9210 0.6996 0.8474 0.7362 1.3472 0.8946 0.8401 1.0151 1.0829 1.2140 1.1311 1.2324 1.3999 0.6114 0.6626 0.9905 0.8586 methionine sulfoxide 0.7347 1.6283 0.3713 0.8076 0.6498 0.8637 0.6141 2.0577 0.2870 1.7748 0.5373 0.9855 0.8625 3.1732 0.3571 1.2988 0.5966 3.4632 0.3697 0.8704 0.5998 1.4850 1.3978 1.5933 0.9370 1.7053 0.4311 1.0431 0.4580 1.4804 0.3678 1.0145 0.6886 2.0218 1.0893 1.2676 1.2552 1.7929 0.6405 0.4843 1.0750 0.7773 0.8930 1.0832 1.4278 2.0126 2.2800 1.6264 0.5724 2.4274 1.5801 1.7926 0.9142 1.0581 2.0283 1.1499 0.9564 2.2672 0.7713 0.9265 0.8222 0.8389 0.9443 1.0910 0.8947 1.0238 0.5527 1.1016 1.4573 0.2987 methyl indole-3-acetate 0.1472 0.1472 0.3826 0.3042 92.0677 2.1461 0.2466 1.9080 0.6358 1.0985 0.4378 0.5687 0.5491 2.4757 0.6627 1.6405 5.7236 0.1472 0.5395 54.3303 0.2864 0.4153 0.4692 14.1619 0.5998 51.5811 0.7207 48.5300 0.8069 72.8224 182.1751 14.0569 0.6004 0.1472 0.4610 0.7004 3.5876 1.0436 35.7650 12.3019 0.5881 2.3625 0.5976 0.1472 0.2593 1.0891 1.0044 0.7602 0.1472 0.4170 0.5556 19.2944 0.4874 86.5832 5.3839 3.3065 0.1472 1.8411 3.6173 86.5729 0.6696 0.9956 0.1974 0.8487 0.3084 0.1472 4.1728 123.7166 0.1472 6.7839 methyl-4-hydroxybenzoate sulfate 1.0878 3.8311 0.2661 0.8068 0.3847 0.2848 0.8462 0.4802 1.0779 1.0736 1.4262 0.0329 0.3108 1.0670 0.2242 0.6062 0.3286 0.8584 0.3731 2.1363 8.8469 11.6940 0.1015 0.1794 0.0796 0.0872 17.7962 13.6101 2.4292 1.7842 3.8580 2.0443 2.6463 3.9166 5.2175 5.1048 0.4450 0.2230 3.5127 4.2893 0.2196 0.9330 0.1867 0.2904 0.1045 0.2314 0.4284 0.1930 0.6460 0.7801 3.6603 0.9238 9.3913 13.2915 3.3346 5.2242 0.9174 9.9395 8.7283 9.5581 11.1568 2.4382 14.8542 34.8046 94.1254 0.6200 1.9436 0.4087 0.5169 0.6573 methylmalonate (MMA) 0.4102 0.8039 0.9989 0.8317 1.9807 1.0562 1.3480 1.9959 0.4827 1.0197 0.7091 0.5880 0.7846 1.0011 0.8734 0.9229 0.5390 0.9898 1.4491 1.4326 0.5485 0.4886 0.4650 0.6714 1.0538 0.7215 0.9402 1.0124 1.1028 1.0365 0.8828 1.3342 0.5566 0.3936 1.8050 1.3187 1.0384 1.0069 2.1973 2.2027 1.8497 2.4250 1.0830 1.4007 1.6926 1.6926 0.7564 0.9897 0.4658 0.7236 1.7866 2.0633 0.9117 0.9386 0.6621 0.7882 1.2076 1.5128 0.9651 1.2145 1.8284 1.3185 0.7881 0.7340 2.1420 2.3971 0.9931 1.6289 0.8969 0.9559 methylsuccinate 0.2912 0.8186 2.3837 1.6542 1.1100 0.6803 0.6480 1.1985 0.5914 1.3727 1.2549 2.1242 0.5411 0.7911 0.8881 1.0698 0.2252 0.5169 0.5608 0.5258 0.6224 0.8656 0.9548 1.3083 1.5049 0.5140 0.5593 0.7516 0.7056 0.5055 0.3249 0.7020 0.4225 0.5515 1.3546 0.9543 2.3529 2.0676 1.0986 1.3069 1.6825 2.5177 1.3495 1.9192 0.9032 1.2217 1.3232 2.4021 0.9493 1.1183 0.9269 1.3116 0.6917 0.7362 1.2271 1.6903 0.6261 1.2311 0.4487 0.9457 1.0452 1.6398 1.6041 1.4145 1.1071 1.1650 0.7865 1.1329 1.3496 0.7212 methylsuccinoylcarnitine 0.8383 1.5034 1.1713 1.1301 1.6860 1.0727 0.4116 0.9168 0.8105 0.9880 0.9357 0.9533 1.9886 3.0285 0.7356 0.9263 0.4275 0.9301 1.2735 1.1181 0.7698 0.5742 2.4957 1.7568 0.7629 0.3896 0.6923 0.9706 0.7799 0.7991 0.6511 0.6882 0.5869 0.5930 0.7862 0.5800 8.9270 8.9646 1.0799 1.0120 1.3204 1.4451 1.8010 2.1420 2.1355 1.2965 4.4900 5.3149 1.9297 4.6038 0.9217 1.1701 0.8244 0.9107 0.8151 1.2482 1.1045 1.7671 0.3183 0.8637 0.8391 0.6502 1.3611 0.9651 2.3953 4.0803 0.7103 1.6161 3.3908 1.6143 methylurea 1.1615 1.8532 2.3671 0.7265 1.0623 0.6430 1.0912 0.9821 0.4288 1.0179 1.0989 1.0373 1.1322 0.7317 1.9760 1.3741 0.6412 0.7970 1.0605 0.5199 0.3174 0.5850 3.4600 1.2792 1.4883 1.8820 0.5925 0.5810 0.3785 0.3647 0.6445 0.4065 1.7668 1.1845 1.0723 0.3875 1.2461 0.7955 2.0558 0.8499 0.6828 1.4118 0.7400 3.1711 0.8292 0.6429 2.5336 1.0345 2.9722 1.3180 0.6066 0.7462 1.4825 1.1910 0.9768 0.2172 1.2057 0.3794 0.9288 0.2172 0.7563 0.3034 0.5129 0.2172 0.8333 1.1876 0.9550 2.7870 6.0545 2.0559 mevalonate 0.4512 0.6155 0.8077 0.9375 1.3938 0.5027 1.4138 1.3382 0.6451 1.4168 0.8087 0.6759 1.6198 1.2075 1.2566 0.6784 0.3757 0.6423 0.5357 0.6573 1.8963 1.4478 1.0556 0.6204 0.4864 0.4527 0.8151 1.0991 1.0590 1.4799 0.5531 0.6596 0.4934 0.4634 1.3957 0.7647 3.5377 1.2062 0.9720 1.1433 1.0701 0.9009 0.9433 1.3354 0.8796 0.8826 1.0671 0.8779 1.7871 0.6658 1.7531 1.4231 1.2435 1.4974 1.7750 1.2213 0.7268 0.8547 0.7606 0.4012 0.7757 1.0280 1.2745 1.4333 2.0369 1.0581 1.8011 3.1017 1.6029 0.8036 mevalonolactone 0.7694 1.6770 1.0340 1.3500 0.9907 0.3307 1.1913 1.0226 0.7785 1.6646 0.7794 1.1447 0.8874 1.1806 0.9930 0.8308 0.8147 2.1123 1.0495 0.3523 1.1256 1.2454 2.0895 1.0782 0.7257 0.8488 0.8798 1.0056 0.9023 0.4583 0.4859 0.6554 0.6481 0.9746 1.2608 0.4241 0.9503 1.6369 1.2101 1.1209 1.1465 1.2826 0.8947 1.3583 0.7122 1.1529 0.9755 0.9683 1.8949 0.8687 1.7291 1.4722 0.7919 0.8349 1.2567 1.3931 0.4007 0.7943 0.4596 0.5980 0.8197 1.2556 1.1320 1.3152 1.8171 0.9944 0.9349 2.6518 2.3070 1.1940 m-tyramine 1.0095 1.2444 0.8854 1.0971 0.4188 0.7320 0.7685 1.2573 0.8472 0.9869 1.4712 1.2284 0.9493 0.9017 0.9266 0.9905 0.2859 1.6758 0.5903 0.2859 0.6546 0.7639 1.2064 0.7833 1.0663 0.2859 1.1288 0.6484 0.8723 0.5082 0.4074 0.6097 0.5235 0.5900 1.4602 0.7699 1.2213 1.2983 0.6441 0.9118 1.4450 1.7874 1.0112 1.1599 1.1726 0.8102 2.4561 1.6319 1.6695 1.2327 1.0671 0.9058 1.0854 0.7561 1.0250 1.5159 1.1927 1.2126 0.6982 0.5174 1.7288 1.3967 0.9189 0.6246 1.4077 1.4458 0.8723 0.3076 3.2360 1.1183 m-tyramine sulfate 0.6961 0.5904 0.6761 0.7111 5.1195 0.4402 0.7493 2.1147 0.4348 1.2222 0.6605 0.7190 1.5214 1.4699 4.3201 0.9789 0.3651 0.9527 1.6162 0.4946 1.4892 1.2942 0.6782 0.2628 2.6442 0.7552 1.0135 0.7128 0.4720 0.2917 1.1753 1.1482 0.7103 0.7451 1.8992 0.5420 2.5739 1.5618 1.7054 1.0245 1.2389 2.4605 0.6994 0.9601 1.7003 0.4624 6.0856 5.3688 4.1526 1.5684 0.9912 0.7436 1.0088 1.1818 1.2249 1.7097 0.7403 0.7555 0.4630 0.7029 0.7206 0.9638 1.0320 0.4434 2.6446 1.1960 0.6541 3.4273 3.1707 1.0378 myo-inositol 1.1112 1.2892 0.6058 0.9917 1.0064 1.2268 0.6239 0.9785 1.1808 1.5641 0.5452 1.5540 1.5529 1.2273 0.5557 0.6919 2.0756 4.9432 0.7492 0.8719 0.6235 0.6134 0.7277 0.6955 1.0005 0.8395 0.6121 0.6505 1.8061 1.7380 0.5029 0.7452 0.9704 0.9995 0.7261 0.5447 0.6787 0.9986 1.7071 1.4682 1.3233 1.9931 0.6070 1.1891 0.8879 1.2478 1.5936 1.4608 1.2603 0.8849 2.6182 3.9139 0.7801 1.0830 1.8425 2.0413 0.7972 0.7769 1.7476 1.4125 1.0529 0.7785 0.9403 0.6653 0.9712 1.2780 0.8647 1.2436 1.4976 1.0149 myristoleoylcarnitine (C14:1)* 0.1721 3.8848 1.6737 1.9230 0.5537 2.1182 0.1721 1.8355 0.1721 0.7193 1.0799 2.6836 0.3235 4.2252 0.1721 0.2803 0.1721 0.1721 0.4667 0.6184 0.1721 0.1721 2.3002 3.1286 0.8131 0.1721 0.3065 0.1721 0.3601 0.3261 0.1721 0.5097 0.1721 0.8730 1.1486 0.4283 1.4680 1.6618 0.4314 0.9925 1.0903 2.5480 0.4351 1.0157 0.4448 1.5410 1.5500 0.5706 2.5542 0.8560 0.5441 1.8222 0.3313 0.8964 0.5673 0.9024 0.6338 1.6215 1.0769 0.6636 0.6352 1.0498 0.5136 1.0799 0.1721 1.0075 2.6452 2.1143 1.7766 1.6493 N-(2-furoyl)glycine 0.8020 0.3273 0.5483 0.6361 1.6932 0.4546 0.8420 0.8422 0.3744 1.0286 0.6031 2.5410 44.0269 0.5513 1.1813 0.9828 0.4484 1.0172 0.7533 0.6421 1.3618 0.9285 1.8643 0.7801 1.3493 0.5078 1.0308 0.8426 1.5929 1.4195 0.8668 1.1870 2.0062 0.3117 8.3908 1.0272 2.7878 0.9486 1.3597 1.3535 1.6721 1.8888 2.4498 1.3543 0.6865 0.5472 2.0665 1.4344 0.7151 0.9638 2.0881 1.6913 0.4718 0.9364 0.9444 1.1998 0.5926 0.6867 0.3557 0.7809 2.2504 1.2853 0.6172 0.6733 9.0876 2.7909 1.3197 3.3681 1.5656 0.8460 N,N,N-trimethyl-5-aminovalerate 2.5628 1.0567 3.2144 0.5898 1.7997 0.5269 0.2104 0.8860 0.9676 0.1787 0.1500 1.0757 0.9966 1.0034 1.4236 0.6745 1.6778 1.0448 4.4840 0.8213 0.3815 0.1576 3.7721 1.6882 1.4527 1.0080 0.5608 0.4745 1.0530 0.1227 0.5345 0.5903 0.8224 0.8320 1.3110 0.2032 0.1886 0.9157 1.1070 0.5252 0.2557 0.6635 2.1040 1.2635 1.3594 2.8474 5.3630 2.0144 1.0341 0.2811 1.8164 0.8077 0.8463 2.5562 0.1516 0.2656 0.6227 0.4353 1.6690 0.1719 3.6122 1.0432 1.6427 0.2054 2.1482 2.8894 1.0369 0.6431 6.9063 2.1724 N,N,N-trimethyl-alanylproline betaine (TMAP) 0.6167 1.3346 0.7607 1.0023 0.7803 0.8034 0.6514 1.5421 0.5155 1.0127 0.9122 1.1232 0.7012 1.2028 0.6880 1.0243 0.3632 1.1245 0.9599 0.6788 0.6469 0.8306 1.5010 1.2007 0.9883 0.7337 0.8689 1.0122 1.0431 0.9133 0.6191 0.8845 0.5310 0.9315 1.2169 0.8352 1.0273 1.5137 1.1396 1.4100 0.8296 1.4401 0.9611 1.8614 0.7267 0.9977 1.4349 1.5504 1.4849 0.8995 0.8795 1.2421 1.1845 1.1436 0.8320 1.6794 0.8301 1.2476 0.9241 0.9638 1.3323 1.1787 0.8920 1.1330 1.5017 1.6199 0.7450 1.3504 3.3224 1.6531 N,N-dimethyl-5-aminovalerate 0.3151 0.8311 0.1311 0.2606 0.9129 0.4335 0.6813 0.5413 0.1317 0.5520 1.2207 1.1067 1.9496 1.6688 1.3214 1.3957 0.8630 0.5646 0.4222 1.4898 1.0439 2.5106 1.1039 0.7743 0.7204 0.6141 0.9244 1.0016 0.4485 0.6080 1.1309 1.4018 1.5384 1.5621 1.4964 2.9464 0.6166 0.3333 1.0826 1.0155 1.6390 2.0523 0.4384 0.8061 1.9705 0.5336 1.1293 0.6455 1.9950 4.0573 0.3403 0.4569 0.2035 0.7025 2.6119 3.8238 0.1951 0.1830 0.3477 1.1559 1.1075 1.3486 2.2075 0.8020 1.4859 2.7014 2.7932 3.9514 0.5438 0.9984 N1,N12-diacetylspermine 0.4586 1.1333 2.0431 1.5403 0.9904 0.7966 0.4676 1.2863 1.0276 1.7431 1.4097 1.2364 0.4477 0.5591 0.5576 0.7314 0.2268 0.9550 0.6707 0.5040 0.5801 0.6964 0.7107 0.7820 0.8016 0.5243 0.8411 0.6474 0.8812 0.8656 0.7954 1.2582 0.9725 0.7924 1.2712 0.5964 2.6337 1.9062 0.7561 0.7763 1.2733 1.4778 2.5987 2.2393 0.7057 0.7531 1.0772 1.2807 1.1814 1.1409 0.4981 0.6722 1.3365 0.7108 2.3619 2.0686 0.7995 1.4771 1.0096 1.3578 1.0404 1.1945 1.7112 1.7595 1.2266 1.6017 1.1103 1.5808 1.2519 0.6175 N1-Methyl-2-pyridone-5-carboxamide 1.4556 2.6629 0.7686 0.9850 0.5427 0.6588 0.5391 1.1665 0.5349 0.6287 1.5652 0.7820 0.4111 2.0579 0.9828 0.6715 2.0414 2.2861 1.1929 0.3521 1.1144 1.1210 4.1877 1.7077 1.0150 1.4221 1.2340 1.5680 0.6515 0.4573 0.7561 0.7970 1.2765 1.9427 0.8573 0.5309 1.3690 0.9077 0.6689 0.8503 1.1689 1.3559 1.1825 0.8141 0.9414 1.2310 2.2237 1.5808 1.3499 3.1816 0.8471 1.0952 1.1221 0.9624 1.0883 1.5967 1.7132 1.8665 0.8288 0.5698 0.9548 0.6706 0.8278 0.9103 0.6767 0.9240 0.9563 3.3295 2.4234 0.8978 N1-Methyl-4-pyridone-3-carboxamide 1.1404 2.1777 0.4697 0.9802 0.4555 0.5689 0.4149 1.0082 0.3774 0.4175 1.3245 0.4680 0.2718 1.2718 0.8093 0.4240 1.0246 1.5932 1.0228 0.2271 0.8233 0.9870 3.5734 1.1427 0.5926 1.0231 1.0005 1.1707 0.5377 0.4568 0.7119 0.7507 0.7502 1.4650 0.7307 0.4430 1.1888 0.8025 1.0364 1.3699 0.9995 1.5314 0.6564 0.8564 1.1070 1.1129 2.1502 1.4180 1.2208 3.2991 1.0331 1.4161 1.1128 1.1799 1.2019 1.3554 1.6300 1.5981 0.4557 0.6302 0.8748 0.7254 0.5505 0.9063 0.8117 0.8217 0.5999 3.1408 3.4061 1.2132 N1-methylinosine 0.4566 0.9274 1.1654 0.9603 1.0001 0.9788 0.4951 1.2128 0.5493 1.0445 1.2757 1.3389 0.7204 0.8948 0.5192 0.7343 0.3350 0.8098 0.7243 0.5776 0.7586 0.8455 1.0965 1.1362 0.8636 0.4644 1.0126 0.7990 1.1373 0.9758 0.5774 0.8439 0.4144 0.4674 1.3670 0.8629 1.2719 1.4568 0.9397 1.0410 1.0172 1.2529 1.5313 1.4056 1.1251 1.1511 0.8513 1.3030 1.0652 1.3190 0.6631 0.9615 1.1130 0.9625 1.2599 1.5700 0.8632 1.5067 0.5933 0.9694 0.9999 1.2086 1.3695 1.7117 1.2724 1.6333 1.0349 1.7381 1.5148 0.9731 N2,N2-dimethylguanine 0.1079 0.8889 0.7281 0.6243 0.1079 0.5990 0.3379 1.5330 0.4518 0.1079 1.2232 0.4905 0.1079 0.1079 0.8804 0.7522 0.1079 0.1079 3.7551 31.8676 0.6117 1.1334 2.2142 0.1079 0.4832 2.7081 1.0257 23.8179 1.0000 1.0463 0.4355 0.1079 0.8698 2.6966 1.2286 0.5626 0.1079 0.1079 0.5170 0.1079 0.1079 0.1079 0.1079 2.9563 0.1079 0.5155 0.1079 0.1079 0.1079 0.5500 12.8864 5.8762 2.4047 1.0127 0.1079 0.1079 0.1079 0.1079 1.9278 1.7611 0.1079 0.9570 0.1079 0.1079 0.1079 0.1079 0.1079 0.1079 0.1079 0.1079 N2,N2-dimethylguanosine 1.1526 1.7604 0.7333 0.7938 0.6764 0.7196 0.5381 1.0816 0.5394 1.2047 0.9201 0.7942 0.5172 1.8746 0.6851 0.8651 1.3287 2.6597 0.8143 0.4714 0.7802 1.1168 2.0975 1.1301 0.7100 1.2167 0.7421 1.2216 0.8762 0.8980 0.4755 0.5194 0.4867 1.1057 0.9937 0.6848 1.0655 1.1957 1.0339 1.7505 0.9397 1.5133 0.9947 1.9539 0.7930 0.9262 1.3155 1.3225 1.2105 1.0722 0.7745 1.0053 0.9430 0.8594 0.9777 1.5726 0.7514 1.2479 0.6078 0.8405 1.0072 1.0639 1.0473 1.1383 1.4838 1.5703 0.8236 1.5884 2.4534 1.5934 N2,N5-diacetylornithine 0.5122 2.0145 0.6861 0.8975 1.1050 0.6887 1.5032 1.1184 0.5782 1.8470 0.7412 1.0727 0.5845 1.9914 0.6658 1.5689 0.3010 1.2982 0.7246 1.4788 0.3744 0.5728 0.6788 1.8215 0.5444 1.1911 1.0472 1.3259 0.9846 0.9719 0.6161 1.2035 0.5721 0.7981 0.6124 1.0051 0.7288 1.0187 1.2602 1.9321 1.0273 1.2195 0.9416 1.9335 0.7470 1.1353 1.0477 1.6856 0.5193 0.8551 0.6181 1.8758 0.6919 0.9949 1.4510 2.4662 0.6946 2.4706 0.9075 1.5323 0.6302 0.8876 0.8902 1.7667 0.6434 1.1040 1.5746 2.0249 0.8434 2.2296 N2,N6-diacetyllysine 1.5383 3.0310 1.0430 0.8438 1.7329 1.2216 1.2457 1.6010 0.7183 0.8190 0.3716 0.4355 1.6671 2.4678 0.2607 0.3857 0.2348 0.4587 0.3223 0.4172 0.3548 0.3561 1.1915 1.4012 0.4350 0.2620 0.6220 0.4585 1.0781 0.8349 0.9687 1.1594 0.5407 0.3088 0.6642 0.4019 0.9492 0.9958 0.6533 0.6830 0.6176 1.1399 2.9377 2.2825 0.9606 1.0042 1.5598 2.0443 1.0172 1.0662 0.9550 1.0283 0.7415 0.7804 2.0225 2.8270 2.7807 3.4923 0.6826 1.0796 1.0630 1.0066 1.5156 1.5145 2.4145 1.3802 0.7310 0.5250 2.0312 1.4892 N2-acetyl,N6-methyllysine 2.3171 3.5943 1.1990 1.1800 0.6071 0.6264 1.9449 2.5032 0.4314 0.6832 1.1530 1.4190 2.5347 6.4992 0.3365 0.4077 2.0244 4.8069 1.9013 1.7622 1.1253 1.9401 1.8747 1.6430 0.2787 0.2336 0.1722 0.2041 0.6309 0.2016 2.0749 1.5960 0.2621 0.3804 0.2124 0.1996 0.6644 0.7529 1.0177 1.2432 0.9823 1.8476 1.9141 3.7842 0.7133 0.6616 0.8470 0.7134 2.4149 1.5269 0.6916 0.8454 0.4139 0.3363 2.3216 3.8793 0.8909 0.9365 0.6369 0.5655 1.1306 0.9283 0.4530 0.6328 3.1113 2.2050 0.8454 1.3897 5.2921 3.7263 N2-acetyllysine 1.6437 2.0836 3.0695 1.7327 2.7041 2.3468 3.8684 1.9108 0.8167 1.1239 0.8636 2.3581 0.8670 1.1211 0.4809 0.4666 0.2124 0.4621 0.4137 0.3909 0.3825 0.3347 1.0802 1.0647 1.8339 0.3229 0.7066 0.4814 1.4485 0.7304 0.8884 0.8314 0.4634 0.2632 0.5240 0.4506 1.1638 0.9390 0.5225 0.5471 1.0391 1.0539 2.5677 1.9267 0.8228 0.7433 1.3136 1.6233 0.9298 1.0511 0.9610 0.9858 0.5763 0.3916 1.8072 2.7122 3.5477 3.3613 0.6294 0.7477 1.0320 0.8894 1.0738 1.1944 1.0842 0.9215 1.0142 1.3833 2.4792 1.1447 N2-methylguanosine 0.5494 0.7447 0.8730 0.7101 0.9628 1.0490 0.7267 1.9268 0.7358 1.0643 1.2260 0.9043 0.4653 0.8458 0.4537 0.7115 0.3431 0.7177 0.5041 0.2720 0.6765 0.7731 0.9254 1.1692 1.2063 0.7000 1.2119 0.8365 1.0020 1.0110 0.6388 0.7996 0.6391 0.6496 0.8932 0.6017 1.2095 1.2695 1.0382 1.3867 0.7005 1.2272 1.0030 1.4026 1.0094 0.9402 1.1377 1.3227 1.0190 1.0262 0.7869 1.4389 0.9980 0.9094 1.0652 1.8089 1.3018 2.2299 0.9030 1.2522 2.7653 2.8891 1.1242 1.5671 0.9836 1.4324 0.8659 1.0929 1.8270 1.4355 N3-methyluridine 0.4474 29.7605 1.0181 0.8504 0.8858 1.1905 0.6222 1.4010 0.4860 0.8539 1.0891 1.2092 0.5060 3.6086 0.5918 1.7921 0.3551 0.4357 0.3638 0.6088 0.6372 0.7757 1.1539 0.9503 0.7159 0.3551 0.8372 0.6867 1.0360 0.9692 0.5201 0.5602 0.3551 0.3807 0.9641 0.8654 1.3419 1.4779 0.9714 0.7786 0.8346 1.2398 1.6287 1.5496 1.0922 1.1530 0.9447 1.2046 1.0450 1.2189 0.9470 1.0726 1.1049 0.9792 1.3534 1.5700 1.0373 1.6498 0.8387 1.0931 0.9809 1.1807 1.0798 1.3438 1.0375 1.6363 0.8265 1.0893 1.6743 0.9819 N4-acetylcytidine 0.5196 1.1131 1.1088 1.0313 0.8119 0.9377 0.6222 1.4979 0.5510 0.9399 1.0024 1.0734 0.6095 0.9833 0.6456 0.9212 0.3833 0.9976 0.8076 0.4579 0.5782 0.7477 1.1483 1.1688 0.9421 0.3799 0.8740 0.8476 1.2171 0.8443 0.1833 0.8186 0.4737 0.6019 1.1542 0.9566 1.0073 1.2793 0.8515 1.3983 0.7162 1.2614 0.4829 2.0507 1.0782 1.1547 1.5239 1.4475 1.2922 1.0655 1.0286 1.3311 0.9893 0.7768 1.0089 1.3031 1.0587 1.4794 0.8841 0.8863 1.2225 1.2680 1.0064 1.2569 1.1433 1.4419 0.8702 0.9295 2.3411 1.4288 N6,N6,N6-trimethyllysine 0.8104 1.1247 1.0423 0.9024 0.6891 0.6841 1.1611 1.1762 1.1582 0.8255 0.9671 0.8522 1.3733 0.8864 1.1999 0.6684 0.6360 0.9932 0.7797 0.6298 0.8263 0.6554 0.8964 0.7327 0.6443 0.5317 1.2640 1.0068 1.3059 0.8118 0.8857 0.7154 0.6738 0.5465 0.9757 0.7518 1.0497 1.1543 0.8927 1.1054 0.8467 1.4641 1.5795 1.9321 0.8183 0.9883 1.2933 1.3902 1.8311 1.1132 0.8379 1.0298 1.2015 0.6474 1.0202 1.9221 1.2909 1.4397 1.6636 2.2429 2.3689 1.2214 1.3385 0.9575 1.0228 1.2673 0.6297 0.8492 1.6443 1.1397 N6,N6-dimethyllysine 1.0204 1.6648 1.3598 1.4033 0.5642 0.5444 0.9507 1.2672 0.5064 0.8431 2.0466 2.2978 1.6580 2.7297 0.8104 0.8875 2.0720 4.3495 1.4632 1.1784 1.4105 1.7536 1.1720 1.0592 0.6048 0.6526 0.5998 0.7976 0.7599 0.6036 0.6008 1.0673 0.5098 0.7364 0.9072 0.6107 1.0970 1.5278 0.9778 1.1605 1.1548 1.9883 0.9273 2.0169 0.7467 0.9265 0.9796 1.2507 2.8558 2.2092 0.6460 0.8785 0.7754 0.6006 0.7083 1.3299 0.7634 0.8288 0.9174 0.8737 1.4057 1.2357 0.6217 0.5480 2.8183 3.4622 0.9280 1.2187 2.4056 1.3457 N6-acetyllysine 0.7589 1.3972 1.8611 0.9971 0.4373 0.6399 0.9914 1.4012 0.8187 1.1580 0.9933 2.5982 1.1537 1.2509 0.5808 0.5179 0.5321 1.1410 0.4597 0.4404 0.6920 0.5001 0.8408 1.1707 1.1531 0.6149 0.9990 0.8940 1.0943 0.7790 0.4311 0.8273 0.8068 0.5594 1.0250 0.7939 1.2479 1.4853 0.7912 0.6562 0.9691 1.1956 1.2422 1.4207 1.0900 1.2862 1.8289 2.2299 1.0566 1.0132 0.8303 0.9385 1.0809 1.0222 0.9785 0.9406 1.4546 1.8243 0.7331 0.7768 1.4671 1.3525 1.3188 1.0010 1.5325 1.4022 0.9955 1.0734 1.5312 0.8529 N6-carbamoylthreonyladenosine 1.0431 2.2579 0.7727 0.7986 0.8991 0.8116 0.5323 1.3062 0.4816 1.0642 0.8064 0.8772 0.6056 1.5549 0.7103 0.7739 0.9095 1.9315 0.8928 0.8868 0.6148 1.0277 1.6480 1.2025 0.7660 1.3488 0.6958 1.6847 0.7549 1.0270 0.5000 0.7834 0.3741 1.1648 1.0042 0.6685 1.2335 1.4111 0.9924 1.5170 0.9596 1.8462 1.0794 2.0275 0.7244 0.8778 1.4873 1.7029 1.3285 1.0975 0.5496 1.0660 0.8208 0.8009 0.8697 2.4281 0.6255 1.1691 0.4304 0.8432 1.2699 1.1887 0.9958 1.0391 1.4983 1.7498 0.7106 1.7038 3.0164 1.4839 N6-carboxymethyllysine 0.6284 0.7854 0.7799 0.8454 0.7261 0.9821 0.4327 1.3206 0.2562 1.2740 1.0735 1.0179 0.3663 0.8591 1.1408 0.8621 0.1326 0.7215 0.4464 0.7155 1.7280 1.2718 0.6365 0.9177 1.1930 0.4084 0.5562 0.6992 0.9765 0.9226 0.3942 0.9563 0.6524 0.7275 1.1092 0.8292 1.4148 1.6072 1.0200 1.3047 3.4410 1.8518 1.9959 1.7837 0.1708 0.1730 1.7531 1.9170 1.4316 2.2106 2.3475 1.4297 0.9650 1.1598 2.1435 1.7913 0.6700 2.0313 0.0796 0.2417 1.2341 2.0550 2.1199 1.7223 3.8520 2.4873 0.8443 0.5095 1.4363 1.2110 N6-methyladenosine 0.2590 0.5787 0.2590 0.3355 8.0712 0.9193 0.7342 1.1383 0.2590 0.9453 0.8801 0.7081 0.2764 1.6541 0.8647 0.9123 3.9324 2.1244 0.4430 5.7107 0.6692 0.7713 0.8469 1.5646 0.8340 9.8305 0.7360 10.7716 1.0561 12.7409 7.9317 3.4882 0.4446 0.9603 0.6805 0.6610 0.9155 0.2590 6.7236 9.4388 0.2590 2.3152 0.2590 3.0410 0.4312 0.2590 3.4263 1.3584 1.3278 0.2590 0.9104 2.0654 0.2590 3.3000 0.2590 2.5995 0.5144 0.8566 0.9150 4.4301 1.0000 1.1033 0.2590 0.3173 1.8686 0.2590 0.3580 8.1755 3.2003 12.3883 N6-methyllysine 1.8106 2.3850 3.6161 3.3949 0.1088 0.1183 1.4635 1.6419 0.5127 0.2644 2.7150 6.1705 2.1844 1.7633 0.4593 0.2986 8.6876 18.0478 1.1099 1.0052 1.3717 1.1576 0.6584 1.3539 0.1779 0.2241 0.2438 0.2487 0.9232 0.3883 0.4617 0.7644 0.5585 0.6961 0.2494 0.2142 1.9978 3.9017 0.8200 0.4497 0.8805 0.9278 1.3502 1.9898 1.0778 2.0935 0.9948 0.9322 1.1112 0.7444 0.4938 0.5360 1.0186 1.3731 0.7090 0.4378 1.4459 1.1987 0.4744 0.2117 4.3832 3.7420 0.2639 0.1346 3.0797 2.1157 1.4496 0.5903 2.3871 2.3331 N6-succinyladenosine 0.5602 1.2333 0.9121 0.9520 0.9870 0.8623 0.6590 1.4237 0.7272 1.3665 1.1278 1.2450 0.6886 0.9689 0.6726 0.8745 0.3330 1.0943 0.7827 0.7383 0.7538 0.8829 1.3435 0.8915 0.8697 0.6607 0.9851 0.8604 1.3211 1.1670 0.5996 0.8036 0.6141 0.7226 1.5601 0.8502 1.0895 1.5062 0.9418 1.7141 1.1664 1.5494 1.4722 1.6372 0.9042 0.9790 1.2401 1.2747 1.0511 1.1320 0.8197 1.1689 0.9496 1.0130 1.2262 2.1027 0.8021 1.3208 0.5811 0.8570 1.1485 1.2604 1.1145 1.2870 1.2593 1.5993 0.8730 1.9418 1.9805 1.3013 N-acetyl-1-methylhistidine* 1.4647 2.2665 1.1381 0.6917 1.7950 1.0148 1.8081 1.6834 0.5941 0.6529 1.2703 0.7157 0.6223 1.0860 1.0759 0.6719 0.5262 0.7742 0.7136 0.6230 0.6484 0.6681 2.2411 1.3158 0.4980 0.4049 0.9075 0.7589 1.4918 1.1695 2.0712 1.1655 0.6118 0.4685 0.5780 0.3207 1.5512 0.8598 0.7143 0.8798 0.7159 0.9482 4.1839 2.3874 1.0753 0.8315 0.7561 0.9138 1.3853 0.8708 0.9024 0.8855 1.0684 0.5539 1.9472 2.2912 3.4766 3.6061 0.7350 1.0198 1.2249 0.9785 1.5135 2.0583 0.9852 1.2222 1.0660 1.1496 3.0500 1.3951 N-acetyl-2-aminooctanoate* 0.9969 1.9399 1.1545 0.7283 1.2867 1.6360 0.6981 2.3095 0.6257 0.7752 0.2296 0.5413 1.4088 1.0565 0.6826 0.8295 0.6043 1.1459 1.1904 0.6226 0.4875 0.7145 1.5772 1.3446 0.6628 0.3893 1.0202 0.9697 1.0031 0.4761 0.5279 1.1046 0.6466 0.5892 0.8801 0.3320 0.6401 1.0539 1.0170 0.7254 1.4447 0.9517 2.8323 2.2007 1.2659 1.5334 0.6509 0.5165 0.9838 0.9027 1.3623 1.4623 0.5915 1.1820 3.0424 1.5589 1.0737 2.2019 0.6730 0.8629 1.6132 1.4050 1.6755 1.6711 1.0750 0.7270 0.3726 0.2069 1.4828 1.0688 N-acetyl-3-methylhistidine* 3.2227 0.5576 5.3892 0.2025 0.4061 0.3302 16.1084 0.4990 2.8569 0.1816 8.8341 0.1266 0.9828 0.2546 2.0061 0.3167 3.1739 0.1875 5.0593 0.2954 3.6418 0.2002 8.5653 0.4065 1.3482 0.1266 3.6671 0.1266 6.5612 0.3693 9.5431 0.2757 7.8470 0.1266 1.6917 0.1445 2.3980 0.4148 0.7883 0.2343 0.2282 0.3377 3.6078 0.4736 3.0239 0.4996 2.5983 0.3628 4.6356 0.2808 5.6469 0.5740 8.8430 1.6779 20.7512 1.0000 33.3182 1.2095 3.1727 0.3860 1.8207 0.2402 1.8600 0.6054 4.2194 0.5033 1.9068 0.1737 6.1039 0.3234 N-acetylalanine 0.5336 0.7808 1.0164 0.8497 1.9811 1.3122 1.0188 1.0224 0.4535 0.6597 0.6937 1.6638 1.5551 1.0864 0.7769 0.9570 0.9979 1.6052 0.7587 0.8194 0.4835 0.9194 0.4879 0.6929 0.8633 1.1942 1.1183 0.7764 0.8531 0.6648 0.4881 0.7074 0.7278 0.5466 2.3408 1.1494 1.5111 1.5467 1.1324 0.7988 1.1006 1.6694 1.2489 1.3930 0.8562 1.3224 1.4907 1.4398 1.1585 0.9435 1.0308 1.6160 0.5552 0.8116 0.7873 1.3769 1.0590 0.8974 0.5622 0.9166 0.7681 1.0021 0.9683 1.0489 1.3783 1.0130 0.7988 2.2878 1.1254 1.7474 N-acetylalliin 0.8964 1.7205 0.2573 1.2714 0.0903 1.3839 0.6270 2.3930 0.1641 2.2321 0.3079 0.9860 0.2764 1.9963 0.0805 1.4046 0.2306 2.7322 0.4828 1.2403 1.0984 1.2926 1.0140 1.6618 0.3878 1.3604 0.1033 1.1635 0.2304 2.0735 0.0858 1.0812 0.1216 2.0008 0.8099 1.4719 0.2655 3.3178 0.2014 3.3616 0.0666 5.1772 0.0344 3.9255 0.1601 2.0983 0.4198 3.3755 0.5338 2.5089 0.3173 2.8414 0.1690 0.4154 0.5176 3.5059 0.0936 3.7636 0.4207 2.5204 0.7953 2.1246 1.8499 2.4770 0.0382 3.1941 0.0369 0.0743 0.4553 2.5643 N-acetylarginine 2.3665 2.9308 0.8240 0.8282 1.7557 1.4495 1.5685 1.9646 0.5916 0.9133 0.6677 0.5084 0.6776 2.2332 0.8124 0.9944 0.7736 1.7748 0.8011 0.6138 0.6955 0.7432 2.2001 1.4884 0.9490 0.9083 0.7733 1.4377 0.9571 0.7550 1.1682 1.0377 0.6590 0.9154 0.6016 0.5650 0.9564 1.0600 1.2421 2.1059 1.0056 2.1930 1.1846 2.8686 0.9882 1.1279 2.5814 1.8415 0.8446 0.6082 1.1551 1.8197 0.5621 0.5168 1.8614 3.6534 1.8902 2.0283 1.1381 0.8561 1.0672 0.8635 0.7892 0.9764 0.6912 0.8212 1.0957 1.5391 4.7328 2.4653 N-acetylasparagine 2.2333 5.5104 0.7928 1.0382 2.3982 1.5900 1.6842 2.6232 0.8163 0.8675 0.3190 0.4174 1.0490 2.1262 0.5415 0.5579 0.4189 1.9277 0.4522 0.3564 0.4045 0.3875 1.4531 0.9155 1.0053 0.7340 0.6251 0.7037 1.7975 0.6428 0.7077 0.9947 0.4600 0.6581 0.8394 0.4179 0.7022 1.6549 0.9539 1.1996 1.0244 1.7786 2.4397 2.5884 0.6767 0.8268 1.1042 1.8180 1.0595 0.5534 1.3678 1.4450 0.3049 0.3455 2.7580 2.9713 2.3254 1.7746 0.3362 0.3177 1.6017 0.8933 1.0376 1.2128 1.4015 1.2411 0.5032 0.3351 5.9884 1.7830 N-acetylaspartate (NAA) 0.7876 1.1357 0.6609 0.7219 1.0230 0.8345 0.4109 0.9974 0.5491 1.0689 1.1216 0.9183 0.5674 1.0259 0.5096 0.9069 0.5312 1.2751 0.7806 0.7751 0.8487 0.9671 2.2325 1.4009 1.0892 1.3184 0.8884 1.0026 0.8426 0.7086 0.7186 0.8116 0.5966 1.0070 1.3985 0.7396 1.0741 1.0727 1.4188 2.1514 1.1711 1.6525 0.8166 1.4525 0.9672 0.9172 1.3146 1.4106 0.7865 0.6264 0.9788 1.3412 0.9119 1.1989 0.8651 1.2433 0.7681 1.0883 1.2882 1.0885 1.3738 1.0882 1.0596 0.7905 1.0411 1.5508 0.8190 0.9211 1.6361 1.4248 N-acetyl-aspartyl-glutamate (NAAG) 1.1607 1.9128 0.8211 0.8240 0.3472 0.3452 0.8337 1.6876 0.8282 1.6706 1.0809 1.5283 0.5247 1.1772 0.3119 0.3739 0.6671 1.6089 0.6651 0.6475 0.8631 0.9247 1.6424 1.2559 0.5431 0.4521 0.9770 1.1915 1.2603 1.2079 0.7744 1.1180 0.4576 0.6721 1.0795 0.7229 1.3132 1.6890 1.0230 1.2755 1.2109 1.5475 1.0725 1.2263 0.4190 0.2935 2.0584 2.9740 1.8187 1.8321 0.6207 0.6915 0.8749 0.8439 0.6878 0.9103 0.9071 1.6327 0.6851 0.9384 1.6767 2.0182 1.3407 1.1630 2.4177 2.0100 0.6208 0.8937 1.3834 0.8971 N-acetyl-beta-alanine 0.8197 2.3646 0.7188 0.6570 1.6558 1.5902 0.9123 1.2476 0.6852 0.8997 0.5781 0.7723 1.2327 1.3260 0.8854 0.9799 0.8885 1.5875 0.6239 0.5395 0.7833 1.3786 1.0412 0.8278 0.7697 0.6455 1.3045 1.4160 0.5411 0.6103 0.4695 0.6962 0.7528 0.4787 1.7776 1.2795 1.0402 1.4788 1.0211 0.9869 1.4832 2.0105 1.0604 1.2877 1.4491 1.3964 1.9661 1.8001 1.4064 1.0091 1.3183 1.3860 0.6246 0.5851 1.0273 0.7056 0.8819 1.0379 0.4321 0.6702 0.9909 0.7991 0.7474 0.7711 1.7412 1.2529 0.9715 1.0497 1.9246 1.3258 N-acetyl-cadaverine 1.0427 0.8908 1.5090 0.5232 0.8122 0.5892 0.8211 1.0842 1.3995 0.5680 0.6208 0.2217 0.4890 1.6816 2.5586 0.8908 1.8461 1.2026 0.5888 0.6048 0.3112 0.3218 1.1888 0.6331 0.7036 2.1748 3.4226 6.1163 1.5484 0.5681 0.8949 0.6268 0.5500 1.0661 1.2640 0.6881 0.9000 0.7646 0.7537 1.6087 0.3330 1.0371 0.3855 1.2265 0.3604 1.0081 3.3927 1.8156 0.9919 0.6067 22.1326 1.4989 0.4217 0.5231 12.6233 5.8847 0.8110 0.4016 2.3130 0.9234 1.1834 0.4979 3.8130 2.3482 1.4790 1.2954 7.9509 3.2724 1.8021 1.3321 N-acetylcarnosine 0.9213 1.3695 0.6819 0.5695 0.5234 0.4695 0.8890 1.7744 0.7999 1.3170 1.0603 1.5092 0.3765 0.7011 0.5283 0.6784 0.7699 1.6896 0.9831 1.1842 0.7899 0.8271 0.9595 0.9162 0.7929 0.6508 1.6503 1.5569 1.6611 1.7054 1.2906 1.1541 0.5275 0.7823 1.6853 1.0767 0.8412 1.0348 1.2634 2.4619 0.6110 0.9643 0.5997 1.7161 0.2316 1.0498 2.3749 1.0128 1.0143 0.9605 0.7642 1.0277 1.4708 2.4030 0.9160 1.7820 1.3243 1.9195 0.9170 1.6072 0.9821 0.9872 1.2954 1.2871 0.4226 0.8691 0.4556 1.1214 1.6890 1.5940 N-acetylcitrulline 2.3519 2.1057 0.9726 0.9611 2.6919 1.7210 2.5960 1.7415 0.4288 0.4870 0.5237 0.4988 0.7379 1.2515 0.5441 0.5975 0.4720 0.7402 1.0044 0.7925 0.4441 0.3731 1.4440 1.3434 1.1832 0.4886 0.7086 0.5708 1.0580 0.7307 0.8909 0.8275 0.6168 0.4570 0.4047 0.5040 1.0008 0.9371 0.7481 1.4146 1.1394 1.7450 2.8179 1.9287 1.1109 1.1392 1.3593 0.9992 0.7043 0.7417 1.6152 1.6088 0.8680 0.7434 3.7686 4.2815 4.0010 2.7677 1.1747 1.1086 0.8617 0.8965 1.3585 1.7044 0.5892 0.7602 1.5982 1.0493 4.6882 2.6192 N-acetylcysteine 1.3967 2.2038 0.5837 0.7489 0.7880 0.8733 1.1540 1.4959 0.6935 0.8475 0.7834 0.7536 1.3914 1.1476 0.7843 0.6267 0.5885 1.5402 0.9168 0.4076 0.7800 1.4256 1.6326 0.6364 0.6056 0.7889 0.6214 0.6894 1.3086 1.7214 0.4215 0.5446 0.6601 0.7879 1.0000 0.5013 1.4022 1.2653 1.2347 0.7484 1.1988 2.2139 1.3352 1.9578 1.1916 0.9879 0.7786 1.1294 1.4026 1.0190 1.0437 0.6907 0.8484 0.4076 1.2763 2.4597 0.9377 0.6468 0.5287 0.5627 1.0963 0.5263 1.1796 1.1221 1.4952 1.6655 1.0641 1.1337 2.5570 1.0019 N-acetylglucosamine conjugate of C24H38O4 bile acid 0.4331 0.5625 1.1177 1.1253 1.0000 0.6909 1.0651 2.1924 0.5595 0.5937 0.2376 0.2376 0.6762 0.6796 0.3929 0.8204 0.2376 0.2376 1.0421 0.9312 0.2376 0.2376 1.0497 1.6915 0.8537 0.2376 0.7349 0.5861 0.5789 0.3260 0.9427 0.9982 0.5800 0.2376 1.2446 0.7276 2.6966 1.9772 0.8452 1.0497 1.9220 2.2506 1.2370 1.6796 2.2644 2.6494 1.0684 1.2850 0.5982 1.0981 0.6623 1.3593 1.5224 0.9680 1.1326 1.6530 1.2653 1.7041 0.6721 1.3135 1.5361 1.4517 0.5000 0.4460 0.8854 1.8406 0.6814 0.9893 0.8955 1.0305 N-acetylglucosamine conjugate of C24H40O4 bile acid 0.3154 0.6170 1.8944 0.8672 0.5854 0.6964 1.1623 3.1173 0.6266 0.3738 0.2024 0.2024 0.8973 1.4437 2.1801 2.2981 1.0960 1.5554 0.4217 0.4174 0.2024 0.2024 1.3200 0.9452 1.7769 0.8864 0.4885 0.6231 0.3875 0.2940 0.7215 0.5916 0.7565 0.2024 1.7609 3.0111 1.1312 0.8583 0.7253 0.7800 2.0342 1.5017 0.5565 1.3944 4.9702 7.1257 1.7422 1.8103 0.4015 3.5109 1.0315 0.8978 2.3766 1.0061 4.7354 0.9939 0.9834 1.2822 1.5083 1.0393 1.0126 0.7074 0.3171 0.2965 1.3885 3.3558 0.7079 0.7845 1.6220 1.6594 N-acetylglucosamine/N-acetylgalactosamine 0.6941 1.3008 0.8198 0.7502 1.0883 0.6473 0.8781 1.8455 0.4975 0.9185 0.9965 0.8848 0.8903 1.3096 0.6406 0.7342 0.6662 1.5444 0.8428 0.7506 0.6720 0.8634 1.3051 1.2298 1.0816 1.0717 0.6188 0.9625 1.0125 1.0981 0.5366 0.8118 0.5368 0.8896 0.9235 0.6534 1.6624 1.6398 1.0035 1.2339 1.2602 1.7702 0.7480 1.3884 0.9821 1.1971 1.1418 1.2488 1.0411 0.7579 0.7910 1.2576 0.9183 0.9513 1.3445 2.2448 0.8018 1.1637 0.7291 0.9158 1.4789 1.2798 1.1174 1.1097 1.2790 2.0652 0.7867 1.4296 1.6100 1.2091 N-acetylglucosaminylasparagine 0.8453 1.6336 0.9245 0.8469 0.8496 0.8955 0.8297 1.7130 0.3881 0.8459 1.0971 1.0651 0.5549 1.1317 0.5073 0.6491 0.7986 1.8388 1.0004 0.8684 0.8992 1.0840 1.7967 1.4530 0.6934 0.6616 0.6467 0.8391 1.0120 1.0460 0.5790 0.8245 0.3589 0.5807 1.0243 0.5905 1.4122 1.4766 0.8319 0.8416 1.1435 1.2554 1.7137 1.6370 1.0773 1.2627 0.5388 0.8340 1.1578 1.4351 0.9005 1.2148 1.0394 0.8225 1.0857 1.5006 0.9203 1.5630 0.7140 0.9996 0.8981 0.8690 1.0665 1.2964 1.3121 1.4979 1.2581 2.2756 1.6440 0.9635 N-acetylglutamate 1.5470 1.9258 0.6819 0.6379 1.1589 1.0023 1.1138 1.9136 0.6201 1.1026 0.5032 0.6299 0.5079 1.1836 0.4699 0.5431 0.9051 1.8845 0.5281 0.4940 0.6639 0.5114 1.5234 1.0324 0.9940 1.3790 0.5599 1.0110 1.1415 0.9192 0.7327 0.7638 0.4750 0.9614 1.2951 0.5983 1.0693 1.1936 1.4291 1.5072 2.2736 1.9221 0.6197 0.8916 0.7564 1.0303 1.3224 1.3987 0.6361 0.4439 1.3282 1.3983 0.6804 0.7841 0.9977 1.0042 0.9439 1.3634 0.7769 0.6879 0.7493 0.7786 1.5344 1.2231 1.4482 1.2423 1.2500 1.4299 1.7097 0.9207 N-acetylglutamine 1.6523 2.4409 1.0976 0.8118 2.1360 1.6486 1.6151 2.6429 0.7261 0.8489 0.2784 0.4815 0.6362 1.2405 0.4061 0.4771 0.5106 1.1472 0.7299 0.6158 0.4488 0.3260 1.2145 1.0890 0.8447 0.8220 0.4987 0.7696 1.9738 0.9719 0.7312 0.8777 0.4356 0.6126 0.8059 0.4215 0.9048 1.2561 1.1720 0.8867 1.4616 1.7155 2.4593 1.8517 1.0281 1.5723 0.8410 1.1824 0.5634 0.5957 2.1434 2.8690 0.4206 0.5788 3.5342 2.3968 2.4222 2.4285 0.7645 0.6221 1.2641 1.2166 1.3725 1.5356 1.3205 1.1224 0.6329 0.6300 2.6875 1.7183 N-acetylglycine 0.3494 9.8935 2.6997 1.8619 2.1043 6.7982 1.1686 3.5402 1.2964 0.7074 0.2131 2.9325 0.8801 1.3553 0.4393 0.3512 2.6012 7.3003 0.3173 0.8136 0.5310 0.7700 0.4293 0.2131 0.6851 1.9122 0.6845 1.4389 1.7456 1.2559 0.7406 0.8083 0.8055 1.3528 1.2275 1.2125 0.3488 1.7962 1.8907 1.6100 0.2131 0.2605 0.6732 2.4800 0.8587 2.9741 0.2131 0.2131 4.0551 0.2131 0.9235 1.3761 0.2131 1.1264 0.3627 0.2131 0.9653 0.7782 1.3877 1.0000 0.8455 3.7036 0.7074 0.2410 0.2307 0.2131 1.6326 0.9058 0.2131 0.9353 N-acetylhistamine 0.4904 0.5664 0.5762 0.9334 0.2876 0.8485 4.0311 3.1027 1.9650 0.9565 4.2889 1.0882 1.5762 0.8166 1.4670 1.3783 1.1307 1.0571 0.3885 0.3336 1.1329 0.9448 0.6836 0.3921 0.8197 1.2657 7.3581 5.2416 2.1778 1.1260 1.1035 0.8220 0.3251 0.3556 0.7697 0.4847 1.4245 0.7912 1.0778 1.5201 0.7373 0.9609 0.2218 0.9243 0.9900 0.6792 2.6498 2.3897 0.7847 0.9831 4.4941 3.9776 1.3505 1.5806 4.0235 2.7517 1.7802 0.6586 2.5892 2.7376 0.3725 0.4161 0.9845 1.0100 0.4195 0.3880 1.5439 4.3846 0.8821 1.0126 N-acetylhistidine 1.3194 1.6703 1.4966 0.6781 1.2322 0.6700 1.3725 1.1272 1.2488 0.7401 1.0765 0.4744 0.7116 1.0008 0.7454 0.6875 0.8233 1.4121 0.8994 0.6182 0.9445 0.4261 1.4495 0.8187 0.8347 0.6335 1.0160 0.8015 1.4119 0.8184 1.3720 0.8191 1.2011 0.6327 0.9321 0.5005 1.2532 0.9339 0.9236 1.2545 0.6314 0.8138 2.2742 0.8465 1.6712 1.0685 2.2338 0.8113 1.8627 0.6652 1.4203 0.8530 1.7049 1.5784 3.9252 1.4969 4.2414 0.9992 1.5119 0.7672 1.7294 0.8068 0.8811 0.6814 2.0670 1.0161 1.3393 0.6471 3.4469 1.3505 N-acetylhomocitrulline 1.3191 1.6505 0.5084 0.3631 1.8909 1.9452 0.7659 0.7581 1.4333 2.3975 0.2934 0.4845 1.0020 2.6328 0.4865 1.7545 0.1654 0.8030 0.4230 1.0304 0.3699 1.0120 1.5426 1.4546 0.5924 0.5288 0.4339 0.7311 0.6106 1.0984 1.2420 2.0059 0.4916 0.5854 0.3593 0.9114 0.9950 0.9332 0.4974 0.7652 0.4894 1.9480 1.7918 1.6890 0.5208 0.6081 2.2693 2.5363 0.9980 1.1665 1.2309 1.1095 0.3890 0.2971 1.1640 1.8822 1.3137 1.8726 0.4264 1.1063 0.5273 0.4728 1.8167 2.1353 1.4255 1.3555 0.8876 0.5798 2.3736 1.1872 N-acetylisoleucine 0.9139 1.3609 0.8445 0.8033 1.3886 0.8897 2.0666 2.0391 0.6825 0.7974 0.6035 1.0037 0.7735 0.7505 0.8304 0.6143 0.5381 1.2181 0.6292 0.4697 0.7610 0.8492 0.7920 1.0351 1.0685 0.5199 2.0527 1.6017 1.9249 0.9963 0.8963 0.9524 1.1103 0.7619 1.8996 0.8563 1.2813 1.2722 1.0061 0.8716 1.6823 1.6583 1.9374 1.3140 1.4336 1.2170 0.8521 0.9841 1.0107 0.7640 1.2545 1.4022 0.7414 0.6800 1.1823 1.1297 1.1138 1.0420 0.9812 0.8996 1.5354 1.7581 1.3672 0.7962 1.3769 0.9667 1.0423 0.9299 1.8874 0.9326 N-acetyl-isoputreanine 0.4191 1.1679 0.5977 1.0596 0.9840 1.2079 0.6321 1.4935 0.4919 1.4035 0.8692 0.6739 0.6518 1.3986 0.6515 1.3063 0.5382 1.8342 0.7421 0.9022 0.5803 1.1447 1.0867 1.1462 0.7870 1.0019 0.8524 1.0767 0.7817 1.2162 0.7426 0.9445 0.4418 0.5782 0.6979 0.7487 1.1890 1.2512 1.6421 2.1719 0.9981 2.4721 0.7413 1.9712 0.7975 0.6324 1.0061 1.5089 1.0337 1.0526 0.6843 1.1995 0.9907 0.6140 1.0172 2.3253 0.8679 1.1577 0.8264 1.4917 1.2060 1.1598 0.7513 1.2202 0.6397 0.9514 0.6827 2.4915 1.5375 1.4819 N-acetylkynurenine (2) 0.3413 3.8335 0.6320 0.4280 3.1450 1.4063 0.3413 0.3413 0.3413 0.3413 0.3413 0.3413 1.0452 0.3413 0.3413 0.3413 0.3413 0.3413 0.9190 2.1112 0.3413 0.3413 0.3413 0.3413 0.3413 0.3413 0.6449 0.3413 0.3413 0.3413 0.9214 0.3413 0.3982 0.3413 0.4474 0.3413 0.5582 0.4563 2.2712 0.3413 0.4492 0.3413 3.8510 1.2852 0.6442 0.3436 0.3413 0.3413 0.3413 0.3413 1.0836 1.1710 0.9548 1.4412 107.9502 5.5508 0.5151 0.8077 0.3413 1.3161 0.3860 0.3413 1.5503 1.1695 0.3413 0.3413 0.3413 2.3525 0.3413 0.3413 N-acetylleucine 1.5108 4.4401 1.2033 0.9306 2.2890 1.2660 2.1349 2.3164 0.9731 0.5516 0.3948 0.7903 0.7823 0.7595 0.4345 0.3719 0.3641 0.8398 0.7200 0.6716 0.3676 0.5560 0.7422 0.9638 0.9052 0.4444 1.2425 0.8756 1.4800 0.7222 0.9879 1.2026 1.1564 0.5875 0.8985 0.4788 1.2737 1.5887 1.2454 0.9428 2.7121 1.9918 3.8255 2.3620 1.6212 2.0069 0.9492 0.8332 1.5461 0.7900 3.1347 3.1922 0.7411 0.8248 3.3472 1.8607 3.3389 3.0595 0.7615 0.8039 1.0121 1.1964 1.9052 1.7189 1.9803 1.0945 0.7751 0.5669 2.8860 1.5977 N-acetylmethionine 0.7664 1.5178 1.2029 0.7197 1.7943 0.6244 1.0460 1.5801 0.6165 0.6276 1.1030 0.8094 0.9171 0.5864 0.4046 0.6364 0.4542 0.7560 0.5128 0.7036 0.6331 0.6356 0.8036 1.1732 0.7592 0.9332 0.9427 0.9837 1.1477 0.5645 0.6917 0.6350 0.7548 0.3007 1.0940 0.6360 1.4358 2.3649 1.3778 1.4520 2.0246 1.5841 3.0205 2.1191 0.9253 1.2104 1.5220 1.0163 0.7859 1.0963 1.8381 2.0421 0.6831 0.7104 1.8861 1.0345 1.6503 1.8300 0.6247 0.7261 1.4199 1.0875 1.2446 1.5044 1.6027 1.0401 0.7272 0.9568 3.4393 1.8118 N-acetylmethionine sulfoxide 2.6146 5.1901 0.7596 1.0000 3.1686 1.2751 2.4666 2.4753 0.6579 0.6686 0.5252 0.6841 1.3640 2.7118 0.4782 0.4490 0.7176 2.0226 0.1537 0.3910 0.3195 0.1537 2.3745 0.8109 1.0331 0.7450 0.8379 0.7084 1.1618 0.7225 0.9941 1.0626 1.2606 0.5224 1.0471 0.1537 0.1537 0.5487 0.1537 0.1537 0.1537 0.1537 1.1263 0.1537 0.8255 0.1537 0.1537 0.1537 1.2205 0.1537 2.1232 1.8382 0.1537 0.1537 2.9634 2.6445 2.2632 1.9842 0.4534 0.4342 0.1537 0.1537 0.9123 0.6830 0.1537 0.1537 0.1537 0.1537 2.0516 0.1537 N-acetylneuraminate 0.6658 1.4085 0.7860 0.9464 0.9826 0.9125 0.7214 1.7358 0.5539 1.4874 0.9860 0.9753 0.6302 1.2800 0.8150 1.0180 0.7637 1.8028 0.8141 0.5622 0.6234 0.8583 1.6235 1.1147 0.9272 0.9733 0.9087 1.1900 1.1172 1.0890 0.4982 0.6603 0.5548 0.9343 1.1365 0.7964 1.5255 1.4496 0.9931 1.2616 1.0059 1.4640 1.1728 1.7152 0.7800 0.9614 1.0206 1.2080 1.5335 1.2335 0.7524 1.2253 0.9941 0.9604 1.1540 2.2263 0.6938 1.3088 0.5314 0.8088 0.9504 1.1077 1.0976 1.1774 1.4370 1.9344 0.6079 1.3759 1.6145 1.2089 N-acetylphenylalanine 1.3182 2.2229 0.9215 0.7402 2.9928 1.4766 0.7008 0.7611 0.4113 0.4320 0.7243 0.7613 2.3830 1.6881 0.8155 1.0549 0.5709 0.8875 0.8102 0.7009 0.5679 0.7171 1.0260 0.9312 1.0148 0.6994 1.0380 0.8661 0.6324 0.4625 0.6190 0.7135 1.0254 0.5516 1.6359 1.3340 1.5442 1.6771 1.7408 1.2851 1.0196 1.2933 3.9067 1.7805 1.4290 1.4205 1.2081 0.9182 0.4869 0.9751 1.9076 2.4608 0.5767 0.5369 3.8402 2.2094 0.9852 1.4229 0.7015 1.3290 0.6378 0.5533 1.0188 1.2571 1.1808 1.0208 0.4641 0.7213 1.4100 0.8554 N-acetylproline 1.0778 1.8724 0.7763 0.9369 1.9369 0.9144 4.4480 1.6448 0.7166 1.9512 0.7778 1.9762 1.6724 1.1373 1.5654 0.8155 0.2389 0.6631 1.7115 0.4426 0.6486 0.8251 1.9002 0.8036 0.2512 0.6159 0.5147 1.0000 0.8038 0.2389 0.6089 0.9291 0.7181 0.7690 3.3296 0.5727 1.4834 1.3703 1.9061 1.6508 2.0079 2.1070 0.9070 2.8573 0.7461 0.5057 1.7377 1.3500 1.0764 0.9454 1.8386 0.9428 0.8034 0.8067 1.3822 2.2351 0.4648 0.7705 0.5061 0.5395 1.7631 1.0830 0.9786 0.6477 9.1902 1.9139 1.4829 2.4060 2.1671 1.0146 N-acetylputrescine 1.1505 1.9869 0.8034 0.7949 0.9834 0.9149 0.9716 1.7196 0.7201 1.3425 0.9921 0.8839 0.7085 1.5730 0.7540 0.7193 0.7268 2.1254 0.9939 0.8315 0.8098 0.8898 1.5261 1.0305 1.2007 0.9936 0.9637 1.2866 1.5511 1.4508 0.7673 0.9637 0.6042 0.8856 1.3825 0.9355 1.2339 1.1586 1.8853 2.6393 1.1106 2.6881 0.7591 2.6297 0.8057 0.8754 3.0244 2.0861 2.2448 1.0833 1.4485 1.6222 0.7866 0.8845 0.8974 1.8897 0.7465 1.0061 0.8770 0.7399 1.2676 1.1872 0.9689 0.8965 2.4475 2.1937 0.9739 1.7649 3.7895 2.0297 N-acetylpyrraline 2.9268 1.1464 0.5602 1.0999 4.5596 2.5560 0.5569 1.7260 0.4960 0.4772 0.8092 1.2443 1.3044 0.6362 0.5172 0.6096 0.1640 0.3854 0.9845 0.5433 1.2961 0.7423 1.5468 1.0788 1.4140 0.1739 0.9776 0.6756 2.2531 0.7747 1.0188 2.5345 0.9812 0.3633 3.3022 0.4133 0.7288 0.9396 1.9760 0.8866 1.0155 1.4029 1.9671 1.2926 0.9320 1.0972 1.6482 0.8330 1.4253 1.0721 2.7720 1.9661 0.7579 1.2363 2.0825 2.7335 0.9224 1.1180 0.3635 0.6769 1.8188 1.0216 0.8740 0.8942 1.4824 0.8592 0.8511 0.6433 2.2125 0.8523 N-acetyl-S-allyl-L-cysteine 1.1308 4.1292 0.4620 2.3054 0.1517 5.7067 2.1246 5.5980 0.3727 4.6951 0.0700 1.3489 0.8924 5.1053 0.0806 2.2365 0.0497 3.4618 0.4272 2.2778 0.7582 0.7532 0.8988 2.8298 0.2842 0.6049 0.0783 1.2735 0.1558 2.1518 0.0859 1.7798 0.1463 1.5610 0.4726 1.5218 0.1250 5.0701 0.1479 2.6524 0.0493 2.7920 0.0542 4.5472 0.1033 2.3604 0.2614 3.4041 0.0581 1.3592 1.0000 5.6119 0.0510 0.4064 0.3553 2.8248 0.1149 6.2607 0.2104 1.7686 0.3924 2.3220 2.2896 2.3408 0.0247 2.8476 0.0041 0.0041 0.5182 4.2560 N-acetylserine 0.6024 1.6421 1.1937 0.9499 1.1749 1.0562 1.0521 1.6324 0.4909 0.7891 0.5736 1.2953 0.6713 0.9828 0.5727 0.6211 0.4471 1.2087 0.5694 0.4912 0.5056 0.4667 0.7344 0.7270 0.9416 0.8537 1.1372 1.0440 0.9116 0.6128 0.5899 0.9049 0.6839 0.5418 0.6819 0.5967 0.7029 1.1380 1.4198 1.3055 1.6022 1.5798 1.4541 1.7026 0.9061 1.6267 1.1253 1.3034 1.0944 0.8842 1.2540 1.5266 0.7609 1.0172 1.0557 1.1625 1.7163 1.5421 0.6875 0.6250 1.8474 2.1670 1.1970 0.8397 1.2839 1.1127 0.5232 0.6882 1.8394 1.2920 N-acetyltaurine 0.5660 1.1512 0.6019 0.9139 0.6248 0.7178 0.8205 1.4451 0.5659 1.3716 0.9641 0.8349 0.5143 0.9694 0.6537 1.2581 0.3443 0.9911 0.5566 0.4741 0.5323 1.1199 1.3696 1.2243 0.7271 0.7496 0.6816 0.8897 0.9895 0.9445 0.3464 0.8045 0.5116 0.7908 1.4394 1.1671 1.2092 1.7213 1.1190 1.8237 1.7334 1.9619 1.3864 2.0031 1.0089 1.1472 0.8087 1.5516 1.3025 1.1377 0.9810 1.2185 0.8619 0.5825 0.8995 1.5262 0.7802 1.6937 0.5156 1.2135 1.2451 1.3122 1.7034 2.0015 4.2316 2.0065 0.8569 1.4399 2.2125 1.3683 N-acetylthreonine 0.5747 1.1847 1.2407 0.7807 1.2213 0.7835 0.5920 1.1991 0.7634 0.9757 0.4895 0.6980 1.0000 0.8077 0.6040 0.6125 0.7763 1.0257 0.7796 0.8271 0.7433 0.5134 0.6948 1.0373 0.9392 0.7478 1.3581 1.3921 1.1341 0.8209 0.5924 0.8574 0.6899 0.5052 1.1405 0.7657 0.7581 1.2347 1.0465 1.1279 1.1613 1.3552 0.8649 1.2210 0.8116 1.1346 1.3723 1.0600 1.3776 0.9835 1.0196 1.2096 0.7831 1.3420 1.1885 1.0286 1.0087 1.0054 0.8523 0.6403 2.1855 1.8602 1.2490 0.9377 1.1256 1.2728 0.4895 0.5569 2.3709 1.6869 N-acetyltryptophan 0.8287 1.3115 1.0362 0.6910 1.2262 0.7241 0.4772 0.4667 0.5717 0.5067 0.9808 1.0874 1.5288 0.9760 1.4839 1.5929 1.0192 1.2574 0.8020 0.6574 0.9041 1.1183 0.8123 0.6991 0.9600 0.7131 1.2231 1.0556 0.8821 0.4561 0.4734 0.7550 1.2965 0.7869 2.6456 2.2889 2.1082 2.0926 1.8321 1.4503 0.9379 1.2534 2.1760 1.3478 1.1826 1.3689 1.3841 1.0827 0.6354 1.0931 1.1971 1.7143 0.5725 0.5754 1.6915 0.9528 0.5792 0.7931 0.9471 1.5288 0.6075 0.5345 0.7047 0.7680 1.7065 1.4354 0.9304 1.2494 1.2342 0.7603 N-acetyltyrosine 1.8596 2.1129 0.8951 0.6746 2.9228 1.2801 0.8219 1.0000 0.4027 0.5107 0.5477 0.5406 1.9882 1.2258 0.9985 1.3225 0.7056 0.9021 0.9071 0.6786 0.4531 0.4983 1.1364 0.9821 1.1855 0.8114 1.0353 0.9833 0.7063 0.4031 0.7998 0.8420 0.9788 0.4955 1.3791 1.4164 1.4722 1.5799 1.3960 1.3170 1.3685 1.1704 2.8428 1.7091 1.6859 1.4353 1.9309 0.9310 0.4027 0.5975 3.3323 3.2778 0.6499 0.7967 7.4152 2.9867 1.8703 2.8100 0.9494 1.4706 0.8164 0.4547 1.2450 1.6488 1.6451 0.6989 0.5116 0.5546 1.5836 0.8773 N-acetylvaline 0.5715 1.0956 0.8460 0.8138 0.8960 0.7093 0.8061 1.3971 0.6402 0.7878 0.8748 0.9875 0.7894 0.7947 0.8228 0.6902 0.3858 0.8123 0.5390 0.5574 0.8028 0.6694 0.7070 1.0371 1.1345 0.4455 1.4716 1.0869 1.2442 1.0035 0.7757 0.8667 0.9000 0.5071 1.6380 0.8967 1.4527 1.3981 1.1216 1.0426 1.8822 1.7955 1.9405 1.2787 1.7365 1.8725 1.1114 1.3004 1.3379 1.1068 1.3230 1.2953 0.8215 0.8317 1.2242 0.8793 0.9050 1.1387 0.8797 0.9965 1.4904 1.5790 1.3433 1.3440 1.5608 1.3773 0.9354 0.9007 1.5019 1.0087 naringenin 0.2343 0.2343 0.2343 1.5736 0.2343 0.2343 0.2343 0.2343 0.6726 4.1283 0.2343 0.5443 0.4042 0.5502 0.2343 0.3106 0.2343 0.2343 0.2343 0.2343 0.2343 0.7076 0.2343 0.2343 0.2343 0.2343 0.2343 0.2343 0.2343 0.2343 0.2343 0.2343 0.2343 1.5929 4.6552 2.8544 0.2343 0.3732 0.2343 0.2343 0.2343 1.4682 0.2343 0.6385 0.2343 0.2343 2.2031 4.2816 0.2343 0.4632 1.0320 1.0000 0.2343 0.2343 0.2343 0.2343 0.2343 0.5345 0.2343 0.2343 2.0504 9.9053 1.1503 0.7570 0.2343 0.2343 0.2343 0.2343 0.2343 0.2343 naringenin 7-glucuronide 0.0231 0.4296 0.4121 15.0690 0.2802 1.6336 0.9499 0.8159 1.6062 27.0195 0.1704 1.4562 0.1145 0.6280 0.0729 6.4706 1.2676 11.5007 0.0231 1.3962 1.0289 5.8435 0.0231 0.3643 0.4427 0.2957 0.4331 0.4026 0.1101 1.2805 0.3111 3.4591 0.4615 12.6725 10.5774 13.5049 0.0231 1.6731 0.0231 0.3065 0.1826 4.4213 0.4551 1.7663 0.0231 0.4768 2.6449 4.8333 0.9050 1.7589 0.9031 1.0000 0.1189 1.5141 0.1334 2.7544 0.0231 2.2357 0.0231 0.5835 6.5089 7.9787 1.6509 4.0595 0.4022 0.6274 0.0648 0.0695 1.5047 2.5021 N-carbamoylalanine 0.3508 1.1323 0.5609 1.9718 0.9352 0.7508 0.6434 3.6391 0.0296 0.0538 1.0815 1.5066 0.7863 1.0936 1.0743 1.6320 0.3924 0.9721 1.0170 1.3191 0.5449 1.0099 2.7788 1.8118 1.2660 0.6856 0.4578 1.5737 0.9901 0.9240 0.3501 0.8881 1.6414 1.0346 0.5528 0.3083 1.1189 0.9533 1.0984 1.0589 1.7233 1.1758 1.1467 1.4580 0.9684 0.9117 1.6013 1.5423 1.3715 2.3002 0.9083 0.9368 0.6722 1.8311 0.6540 2.1392 0.7933 0.9159 0.5027 0.9563 1.5758 0.9256 0.6960 0.9460 0.5192 1.4846 1.6302 1.5327 2.0323 0.8033 N-carbamoylaspartate 0.3185 1.2796 2.2956 1.5025 2.6169 1.9121 1.5163 2.4895 0.6688 0.5000 1.7515 5.8663 0.4394 0.3619 0.4453 0.5790 0.2063 0.2063 1.7322 0.4799 1.7325 0.7353 0.9589 4.2151 2.7986 0.5300 0.8394 0.9853 0.5563 0.2063 0.2601 0.7048 0.2630 0.5566 2.1805 0.9117 1.1352 1.2351 1.5379 0.9958 1.8385 1.5924 0.5648 0.8456 0.5205 0.9131 1.0042 1.8840 0.5738 0.6999 0.8992 1.1190 0.6218 0.7463 1.4821 1.2837 0.6820 1.0917 0.6981 0.6398 1.0748 1.2153 1.3428 1.0865 2.4301 2.0496 0.8361 1.1671 1.3512 1.5360 N-carbamoylsarcosine 0.2667 3.0385 4.8450 0.4541 1.6085 0.6164 1.8613 0.8935 0.4911 6.6206 0.4223 0.0445 0.0445 1.8326 3.0690 3.6651 0.8627 1.7895 1.8240 0.6244 0.0445 0.3214 1.4224 1.0686 0.0445 1.3020 0.9657 0.7505 0.0445 0.0445 0.0445 0.0445 2.8638 0.0445 0.4570 0.0445 1.4217 0.0445 0.0445 0.2798 0.0445 0.0445 0.0445 1.0000 0.0445 0.9985 0.9605 1.8669 3.2039 1.3384 0.0445 1.5755 3.4735 1.5899 0.5626 0.0445 0.5382 0.8771 1.4954 1.0755 0.3551 0.6255 0.7409 0.0445 0.3441 0.3971 0.4617 1.0106 0.0445 1.8596 N-carbamoylvaline 0.7151 1.9249 0.7590 0.7092 0.9814 0.8268 0.2628 0.9121 0.6765 1.0121 1.8237 1.6336 1.3189 1.7648 0.6335 1.2130 0.3701 0.9879 0.7159 0.8875 0.5274 0.8833 1.6267 1.6051 0.5239 0.3770 0.9389 0.8752 0.8256 0.8775 1.1213 1.1955 0.5441 0.7233 1.3064 0.8561 1.4235 1.4211 1.2058 1.5468 0.9267 1.2107 1.1754 1.5708 1.3033 1.7946 1.5865 1.8631 1.5618 1.7058 0.9346 1.2319 1.0782 0.8145 0.6742 1.1937 0.7338 1.5387 0.9859 1.0397 0.7881 0.9861 0.7533 1.5733 1.2086 1.6337 0.8982 0.4528 2.3639 2.1209 N-delta-acetylornithine 0.3568 0.6611 0.6157 0.9889 0.3365 0.3240 0.5665 0.8926 0.4209 1.5427 0.8643 1.4763 0.7114 1.1779 1.0348 1.5067 0.8880 2.6124 0.5083 1.2740 0.6431 0.7830 0.4764 1.5216 0.5266 1.6152 1.2666 2.0083 0.6040 0.7468 0.3646 0.7452 1.1721 1.8140 1.2266 2.0336 0.8544 1.6128 1.9894 2.6709 1.0411 1.2082 0.2771 0.8961 0.7075 1.4118 2.2905 2.5222 0.8036 1.2775 0.7251 1.4325 1.0050 2.7277 0.6541 1.0216 0.2458 0.8576 0.9460 1.5829 1.3359 1.6018 0.6041 0.7992 0.9950 1.3984 1.5483 2.0608 0.6924 1.6784 neopterin 0.3105 1.1578 1.0815 1.3717 1.0648 0.4835 0.5158 0.9970 1.0000 1.5100 2.2395 1.4367 1.1422 0.8884 0.7443 0.9813 0.3105 0.3105 1.1306 0.8509 0.9346 1.0215 0.5138 0.8564 1.0547 0.3105 0.7516 0.4740 0.6710 0.6430 0.4098 0.6343 0.7270 0.3105 1.0311 0.3105 1.6391 1.9306 0.6879 0.5188 1.3060 1.4303 0.8616 1.7959 0.6047 0.7268 0.4395 1.1274 0.7876 0.7384 0.8758 0.8341 1.0912 0.6523 1.7797 2.2945 1.0734 1.8641 0.6150 0.9771 1.2031 1.6603 1.4738 1.0922 1.5236 1.7512 1.1938 2.6177 1.5299 0.9510 N-formylanthranilic acid 1.3633 1.3820 0.8510 0.8458 1.2408 1.0219 1.0041 1.3663 0.6102 0.8445 0.5933 0.4883 0.5848 0.7564 0.8665 1.0894 0.7072 1.2643 0.8778 0.7759 0.4581 0.9959 1.1526 0.9464 1.4891 1.3166 0.9435 1.0186 1.5228 1.1910 0.7283 0.8658 0.5504 0.8045 0.4433 0.9056 1.1178 0.8954 1.4853 2.5633 2.0975 1.7224 0.6911 1.7214 0.6500 0.7690 1.2684 1.0390 0.8956 0.5731 0.8505 0.7983 1.5943 1.4411 1.2112 1.1569 1.9642 2.8167 1.3414 2.2762 1.9651 1.3001 0.8271 1.5650 0.5902 0.8712 1.0997 1.5548 0.9746 0.8107 N-formylmethionine 0.2653 0.9033 0.8275 0.5698 3.3685 1.8550 0.4448 0.6771 0.5724 0.7271 0.7393 1.0329 1.0251 0.9687 0.5606 0.8041 0.4191 0.5816 1.1119 1.1856 0.7606 0.7460 0.3805 0.8126 1.5599 1.1049 1.0628 1.2643 1.2140 0.7097 0.4062 0.7549 1.0645 1.1886 1.0336 1.1379 0.9749 1.4010 1.3475 1.1450 2.9513 2.0183 1.3011 1.3770 2.1693 1.9996 1.2916 1.2183 0.6213 0.7859 0.8852 1.0417 0.7228 1.1391 1.5461 1.2956 0.6532 0.8151 0.8360 1.1194 1.1237 0.8356 0.7396 1.1757 0.9466 1.1476 0.5370 0.5939 0.9232 1.1054 nicotinamide 1.7956 3.3485 0.4752 0.6883 0.9895 0.6477 0.5991 1.5349 0.5127 0.9110 0.9562 1.0896 0.7436 3.5254 1.1898 0.9896 1.7482 3.7119 1.1160 0.7151 0.4796 0.9021 2.4079 1.2607 0.5457 2.5550 0.4703 1.7013 0.6851 1.0655 0.4607 0.6438 0.8452 1.5679 0.9871 0.3832 1.4039 1.8344 0.9491 1.7271 0.6832 1.3425 0.9690 2.7832 0.6525 0.7014 3.1935 2.8578 1.0104 3.1997 0.8658 1.3254 0.8103 0.8399 0.7940 1.2069 1.7415 1.2688 0.5774 1.1039 0.9762 1.1274 0.7304 0.5474 1.4928 1.8212 0.5273 1.8874 4.7854 2.6782 nicotinamide N-oxide 2.3655 1.1837 1.0494 0.5016 0.1975 0.4923 1.1038 1.8500 1.2129 0.4276 2.0744 0.8012 1.7932 3.9220 0.6619 0.1510 5.4456 3.4313 0.3366 0.1510 1.8605 0.8051 1.4384 0.3567 0.5254 0.7257 1.2314 0.7675 0.5974 0.4639 1.7553 0.7947 0.3026 0.3101 0.4648 0.1594 1.8535 0.8424 0.1510 0.1510 1.2173 1.0000 0.1510 0.1510 0.2309 0.1510 5.3969 1.9239 1.4700 2.5916 1.0670 0.1510 0.1510 0.1510 0.1510 0.1510 2.2042 1.2982 0.5619 0.1510 0.1510 0.1510 0.1510 0.1869 0.9452 1.1043 0.6099 2.1855 2.5458 0.9960 nicotinamide riboside 1.2283 2.4300 0.3779 0.7227 1.0221 0.5116 0.9986 1.2788 0.3788 1.0510 0.5568 0.5711 0.8645 2.3553 0.8311 1.1526 1.0014 2.4842 0.6564 0.7031 0.5039 0.9767 1.3037 1.0714 0.6516 1.5865 0.4837 2.0555 0.4949 1.4940 0.4985 0.8410 0.2998 1.1845 0.5635 0.4942 2.5438 1.3635 1.4911 2.4709 0.7088 1.2988 0.4638 1.4978 0.5632 0.5563 1.2430 1.2110 1.3395 0.7757 1.1947 1.4502 0.7303 1.1594 0.4883 1.7153 0.6002 0.7085 0.7432 1.1837 0.9231 0.9120 0.6634 0.6499 1.7890 1.3687 2.2080 10.3987 1.8853 2.3701 nicotinate ribonucleoside 0.8522 0.6447 0.7252 1.5357 0.7339 1.0381 0.7837 1.1951 0.5110 1.1671 0.9194 0.9727 0.5903 0.6580 0.4363 1.2625 0.4104 0.4104 0.7172 2.6415 0.7187 0.4454 1.0484 0.9085 0.9241 0.4104 0.9641 0.5864 0.6664 1.0491 0.8526 0.9826 1.1531 0.4104 0.9147 0.8326 1.8994 1.5865 2.2079 2.0395 1.0905 2.8385 0.5306 2.0592 0.4840 0.8123 3.0644 2.5387 0.6119 0.6984 1.7840 2.2282 1.1824 1.0174 1.4140 3.1360 0.6801 1.3087 1.0467 1.1501 0.4104 0.8796 0.4660 0.6182 1.8426 2.1620 1.4276 4.0038 2.8965 1.9448 nicotinurate 0.3796 0.3796 0.4493 0.3796 0.7660 0.3796 0.3796 0.3796 0.3796 0.7853 0.3796 1.6197 2.2270 0.3796 0.3796 2.8390 0.3796 0.3796 0.3796 0.5606 0.5761 0.3796 0.3796 0.3796 0.3796 0.3796 0.8111 0.3796 0.3796 0.3796 0.5497 0.3796 0.3796 0.3796 1.4753 1.9341 0.3796 0.3796 0.3796 0.3796 0.3796 4.1197 0.3796 0.3796 0.3796 0.7719 0.3796 2.7049 1.8739 1.6613 0.8644 1.0000 0.3796 0.3796 0.7773 2.6683 0.3796 1.0999 0.7261 0.8425 0.3796 0.7168 0.5332 0.3796 0.3796 4.2718 1.3428 5.1258 3.4120 0.3796 N-methylalanine 3.7083 0.2592 0.2602 0.3838 2.6997 0.9940 6.4389 0.8886 0.2592 0.2592 0.2592 1.0063 2.4330 1.0090 0.2592 0.2592 0.2592 0.2592 0.2592 0.5318 0.6952 1.5409 2.7141 0.2592 0.4423 0.2592 0.5479 0.3364 0.2592 0.9897 1.4085 1.1610 0.2592 0.2592 1.1377 0.5887 0.6300 0.2592 0.2592 0.2592 0.8592 0.2592 0.7511 0.2592 0.7666 1.0892 0.2592 2.0100 0.2592 0.2592 2.1784 0.8536 0.7247 1.0000 1.1832 2.2364 0.7707 1.2267 2.0154 0.2592 0.2592 0.2592 0.8285 0.5384 1.5068 0.2592 7.4827 12.1578 0.2592 0.2592 N-methyl-GABA 0.7672 2.7997 0.6659 0.3190 0.9143 0.9943 0.7716 0.5422 0.7164 2.5503 0.8067 0.4291 0.4157 1.9122 0.3416 1.5603 1.4106 2.0047 0.8478 1.3294 0.6519 0.7778 0.8130 1.1072 0.2949 2.6429 0.7148 1.6651 1.1184 1.0057 0.8323 1.3806 0.4266 1.7258 0.5381 1.2294 0.4794 0.8372 0.8898 3.9118 0.4351 1.1933 0.2216 4.8627 0.7544 0.4961 1.8288 2.7354 0.8476 1.1609 1.2921 1.0709 1.4279 1.4501 1.0658 2.0416 1.0369 2.5123 1.0998 1.6658 0.5884 0.5010 0.3424 1.2943 0.6396 0.7477 2.3325 1.5507 0.5706 3.7128 N-methylglutamate 0.2131 0.2131 3.5587 1.0122 0.7174 1.1254 0.8735 1.0110 0.2131 0.5525 0.8619 1.1082 1.0801 0.7523 0.2131 0.8400 0.2131 0.2131 0.2131 0.5723 0.3327 0.9115 0.7539 0.7910 0.7889 0.2131 12.5457 1.4060 0.9498 1.3809 0.6350 2.0908 0.2626 1.1155 0.2131 0.7331 1.2423 1.5173 0.6921 1.4639 1.3397 1.1065 0.8076 1.3603 0.6661 0.7057 0.2752 0.2155 1.2789 1.1761 0.2131 0.9331 1.2822 5.7908 0.8757 1.2955 2.3829 1.0000 0.7873 0.8994 14.6974 19.7437 4.3048 1.0484 0.7240 0.6488 1.2789 1.7226 4.0874 0.9382 N-methylhydantoin 0.3238 1.6369 9.7717 0.3909 4.1225 1.0171 3.2983 3.7786 0.7620 7.9792 0.3317 0.4489 0.5104 1.4554 4.5585 3.3673 0.2505 0.6876 4.9315 1.4034 0.3234 0.1570 1.8494 5.0869 0.2483 2.4618 1.1904 1.3934 0.1570 0.1570 0.4125 0.4392 6.0416 0.1570 0.3437 0.3874 0.3916 0.9545 1.8269 0.8804 0.1570 0.1570 0.8968 0.6903 0.3981 1.0000 1.0397 2.7504 1.4276 0.8574 0.1570 1.0938 4.0290 2.0559 0.8608 0.3046 1.1748 1.8137 1.2665 1.0767 0.4604 0.3218 0.5951 0.1570 0.1628 0.1570 0.2557 0.5875 0.1570 2.1135 N-methylpipecolate 0.1404 0.0160 0.9015 0.4806 1.0618 0.8240 0.5517 0.7013 1.0493 0.9507 1.6443 2.6408 4.0377 1.0896 0.2477 0.4553 0.0160 0.0160 1.6060 4.0469 3.6305 3.0046 0.0160 0.8446 0.4031 0.0643 0.2463 0.1127 0.4456 0.7302 1.9037 1.7001 0.4809 0.0619 0.7222 0.5690 3.8202 2.7815 1.6641 2.8488 4.2209 3.8298 2.3941 4.1650 0.0687 0.0160 2.8532 2.9255 18.6448 15.0293 0.3835 0.4559 1.2797 0.0943 0.4247 2.7329 0.3874 0.2994 0.0241 0.3009 2.8218 1.7799 0.5550 0.2431 12.2750 11.5551 0.4574 1.4564 5.8791 2.2295 N-methylproline 0.5805 0.8723 2.4444 1.5859 6.4811 2.6902 0.6705 2.5154 0.5534 0.1133 0.2368 0.4302 1.4774 0.5374 0.4884 0.3886 1.2050 2.3129 1.0582 0.9496 0.8991 1.4960 0.7367 0.7038 4.2453 3.3573 3.6137 0.5338 3.4124 1.5289 0.2249 0.8249 0.4219 1.1286 0.8079 0.8151 0.3222 0.4744 3.9136 3.2787 1.7578 1.2807 2.9309 1.5587 0.8982 2.8095 0.8641 0.3058 0.2401 0.2148 0.7770 0.4050 1.0504 3.4879 2.3006 3.8637 1.4028 0.4995 1.3188 0.8868 2.4091 3.2226 5.2486 0.9428 1.7547 0.4218 4.7394 0.3354 1.1703 0.4649 N-methyltaurine 0.6934 2.3991 0.3851 0.8564 3.8798 2.0614 0.0523 1.1192 0.0523 0.0523 0.3191 2.2424 0.3876 2.0086 0.1480 1.6701 0.2709 0.5147 1.7922 1.1405 1.0781 0.7089 2.6160 1.8821 0.5988 1.1266 0.3257 2.0949 0.2403 1.9814 0.1381 1.1759 0.0971 0.5342 0.3354 1.7295 0.3224 1.7649 1.7320 1.5629 0.3668 2.2887 0.0763 2.1962 0.4533 1.5870 0.4690 1.7028 0.2324 0.8829 0.4270 2.0287 0.1551 0.1923 0.7072 2.7074 0.5725 1.5480 1.1074 1.2687 1.7362 1.4413 0.6155 1.1082 0.1266 1.3625 0.9219 0.2435 0.4388 1.2442 N-octanoylglutamine 0.3099 2.4710 2.2827 1.9899 0.4504 1.7773 0.5918 6.0013 1.3466 1.7485 0.8594 3.0891 0.1737 0.8243 0.6162 0.4861 0.1737 0.5246 2.4714 0.8167 0.4309 0.5783 1.5303 2.2206 1.9144 1.0661 1.2483 0.9916 1.1858 0.6172 0.2302 0.3420 0.7713 1.1333 2.7272 1.0986 0.8747 1.8912 0.4649 0.7588 0.9919 1.2533 1.0158 2.1134 0.4005 1.0283 0.4594 0.5260 2.7485 0.9090 0.5523 0.9578 0.6524 0.4787 0.1737 1.9000 1.0175 1.5634 0.9986 0.9468 0.8132 3.8527 1.9715 2.9759 0.6250 1.0014 2.1550 1.8224 2.1620 0.6014 N-octanoylglycine 0.1757 0.7760 1.1827 0.1757 0.3833 2.0159 0.1757 1.1766 0.1757 0.6262 0.1757 0.9133 0.1757 0.1757 0.1757 0.1757 0.1757 0.1757 0.7702 0.6375 0.1757 0.1757 0.1757 0.4802 0.1757 0.1757 0.7717 0.7707 0.1757 0.7463 0.1757 1.1893 0.8967 0.1757 1.3118 1.5748 0.4009 1.1143 1.1531 2.2904 1.0425 0.1757 1.1222 1.8378 0.7383 0.9181 0.1757 0.3470 1.3854 0.9446 0.9654 0.8691 1.0000 1.2890 0.5049 0.7595 2.2589 4.4730 2.8679 2.1129 1.6630 4.0150 1.7782 2.4667 0.1757 0.7497 1.4101 0.8589 0.1757 0.1757 nonenedioate (C9:1-DC)* 1.1536 2.7128 4.6809 2.8819 0.4095 0.9170 0.4374 2.4655 2.0870 3.3633 1.0077 2.9998 0.3347 0.8284 0.7050 0.8204 0.2237 0.9462 0.6526 0.4113 0.6989 0.9923 1.3780 1.1823 0.5488 0.2778 1.5178 1.5171 1.0293 0.8020 0.4681 0.2869 0.7680 0.8222 1.0746 0.7004 2.8400 2.8216 0.3212 0.5430 0.6962 0.8426 0.0142 2.6172 1.0809 1.3928 0.5312 0.4458 1.5913 1.0099 0.9504 0.8524 1.8038 1.4201 2.2445 1.8316 0.5765 0.9095 0.6634 0.6447 1.5291 1.4760 1.4371 1.9377 0.8763 1.0259 2.1549 1.6529 2.3925 1.1822 o-cresol sulfate 0.3549 0.6343 0.4449 0.6957 0.9731 0.5344 1.1363 2.0784 0.8801 1.5441 0.7958 1.4468 2.9409 1.3393 1.0471 0.7854 0.3462 0.8055 1.2364 0.5101 3.1102 1.0905 1.7676 0.9139 0.8251 0.3464 0.6845 0.6119 1.7011 1.0627 0.7999 0.7412 0.5181 0.1597 2.9657 1.0696 1.2177 1.3475 0.5622 0.7074 1.1065 0.6352 3.7841 1.1205 1.2875 0.6757 1.0269 0.5249 1.4186 1.8045 1.1077 1.3218 1.4937 1.0633 0.9168 0.6743 1.6177 2.2878 0.2545 0.6429 1.4550 1.3217 0.6070 1.1164 0.5131 0.4362 4.5510 0.7712 1.2222 0.5552 octanoylcarnitine (C8) 0.9439 1.3632 5.0367 1.3073 0.6517 1.2592 0.4540 1.9863 0.9092 1.2452 0.9423 1.9315 0.3371 0.9645 0.9747 1.0079 0.8518 0.8777 2.2076 0.3857 0.2888 0.5902 3.5734 2.0114 1.5543 0.8320 0.6515 0.6511 1.8782 0.5586 0.1571 0.3357 0.5107 0.7404 2.8290 0.7404 1.6217 2.0956 0.7964 1.1892 1.3702 1.3316 1.7404 0.7065 0.8631 2.9498 1.0699 1.0146 1.1956 0.9921 0.7629 0.8131 0.6403 0.5888 0.8874 1.0767 1.0509 1.7766 0.9758 0.5314 1.8379 2.1716 1.5399 1.8555 0.8707 1.5668 1.1409 1.5205 2.6566 0.6056 orcinol sulfate 0.5419 1.1204 0.4117 0.4858 1.4369 0.9126 2.7983 2.3603 0.2523 0.2791 0.7951 0.4730 0.7071 0.5254 0.8569 2.0397 0.4231 0.9904 0.8629 0.6866 0.2584 0.3959 1.1228 1.0099 1.3793 1.4564 0.5073 1.0420 3.3352 1.9303 0.4717 1.0959 1.2016 0.7395 3.9092 2.8119 3.4720 0.9509 1.1987 0.6046 0.8314 0.5816 0.6915 1.9757 3.6204 2.4732 1.7653 1.0508 1.2706 1.3306 2.1971 2.3241 0.1926 0.3608 1.6295 1.2082 0.6079 0.7986 0.7232 1.4441 2.8070 0.7835 1.8410 1.0096 0.8979 0.8561 0.8986 1.3410 1.0636 0.5646 ornithine 1.3976 1.5633 1.0287 0.9732 0.6907 0.6453 0.9783 1.0225 0.3110 0.9072 0.9482 0.7211 0.4751 1.0284 0.9476 0.8968 1.0898 2.3209 1.1344 0.6644 0.7818 0.6038 1.4936 1.0744 0.7335 1.2089 0.6297 1.3033 0.8219 0.5158 0.4685 0.7238 0.5648 1.0764 0.8553 0.5499 1.1108 1.7412 1.4243 2.6762 1.1112 1.7966 0.9831 1.5811 0.8694 1.1132 1.4213 1.2644 0.9030 1.4760 0.9159 1.1662 0.7342 0.7454 1.0421 1.7380 1.2841 1.3887 0.9976 0.6945 1.4922 1.2115 0.8089 0.7877 0.9829 1.0024 0.7614 1.0570 3.4468 1.5902 orotate 0.8750 0.8603 0.9096 0.5459 0.7157 0.8154 1.0449 2.2585 0.6348 0.9240 0.2671 0.2371 0.6999 1.6121 0.4143 0.7467 0.7637 1.5695 1.0627 1.0564 0.4942 0.4786 0.9189 1.1328 1.3459 1.2614 0.5666 1.0550 0.8668 1.0572 0.8677 0.9940 0.7615 1.0620 0.6900 0.8308 1.3430 1.5216 1.7947 2.3835 0.3341 1.0822 0.5490 2.0537 1.0060 1.2198 1.9055 1.5235 0.3863 0.8031 1.1987 1.8991 0.7315 1.1853 1.0689 2.6582 0.7113 0.6306 0.9143 0.7176 1.7283 1.0494 0.8320 1.2379 1.1474 1.5829 0.6067 1.4038 1.8473 2.7843 orotidine 0.4481 0.9476 1.1794 0.7694 1.2472 1.1136 0.6528 1.3040 0.5378 1.2309 1.3391 1.7778 0.7147 0.7001 0.5449 0.6868 0.2585 0.6580 0.7087 0.7204 1.1598 0.7023 1.1586 1.0724 1.0401 0.3946 0.7868 0.5208 1.3438 0.9896 0.4846 0.6660 0.5060 0.3884 1.7688 0.9433 1.2327 1.3518 0.8542 0.7886 1.0104 1.1552 1.6449 1.4523 0.8794 1.0515 0.8292 1.3562 1.0703 1.1797 0.8294 0.9850 0.9013 0.8490 1.1782 1.5875 0.7196 1.2483 0.6555 0.7724 1.0714 1.0383 1.2630 1.1331 1.7058 1.6524 1.1353 1.8440 1.1130 0.7767 O-sulfo-L-tyrosine 0.8933 1.1756 0.8601 0.8080 0.6715 0.8088 0.5848 1.3431 0.6282 1.1317 1.1840 1.2977 0.8511 1.0250 0.6917 0.8219 0.4660 0.9519 0.8422 0.6975 0.6378 0.7023 1.2881 0.9916 1.0709 0.4947 1.0978 0.7766 1.6070 0.9819 0.5470 0.7842 0.2775 0.3194 1.4966 0.8835 1.1661 1.3266 0.9153 1.1564 1.2802 1.6485 1.5612 1.9106 1.0220 1.1059 1.2827 1.1393 1.3703 1.0084 0.9235 1.2347 0.9474 0.7325 1.0602 1.5982 0.7820 1.2004 0.7418 0.9899 0.9054 0.7700 1.0725 1.1415 1.8187 1.7881 1.1205 0.9409 1.8132 1.1382 oxalate (ethanedioate) 0.9272 1.4295 0.5455 0.8926 1.3231 1.6280 0.1402 1.1047 0.1585 0.8565 0.3385 0.4050 0.3515 1.9538 0.6837 1.4896 1.9624 3.2461 0.5541 1.6719 0.1227 1.3826 1.3429 1.4566 0.2020 2.4777 0.6442 2.1616 0.3902 1.0039 0.8664 0.9539 0.4114 1.6594 0.6156 0.8196 0.9180 2.3461 2.1783 2.4891 0.2074 2.5254 0.3649 2.0934 0.3774 0.4507 2.4071 1.2870 1.8686 0.6522 0.5622 1.3872 0.9282 1.7086 1.1792 3.4930 0.2946 0.3847 0.9961 1.6637 1.0633 1.3947 0.7394 0.5135 0.5753 1.1726 0.7988 2.7175 2.8935 2.4090 palmitoyl sphingomyelin (d18:1/16:0) 6.8588 0.5180 0.7901 0.9635 1.5366 0.7028 0.8176 2.9174 0.6285 1.0390 1.7490 1.1926 0.5253 0.5180 0.5180 1.1258 0.5180 0.5180 0.5533 0.8543 0.6685 0.5180 0.9286 1.0459 0.9824 2.6639 0.8079 0.8613 1.1455 0.9341 0.7249 0.5369 0.5180 0.5180 1.1218 0.5408 1.4782 1.4653 0.9471 122.6198 3.6019 1.0676 1.2433 1.3734 1.3341 1.1267 9.7016 1.2146 0.5457 1.9038 0.7631 1.3390 1.3936 0.5180 16.7616 1.0176 0.8385 2.4784 0.6152 0.7838 0.9488 0.7946 0.8755 0.8431 0.5180 0.8395 1.3603 0.5180 0.5180 0.5180 pantoate 0.5087 0.7871 0.7997 0.5389 1.9288 1.0076 1.1046 1.2592 0.5095 0.8835 0.8804 1.1221 1.3499 0.6780 0.8558 0.7733 0.3805 0.9924 0.6858 0.9466 0.8450 0.9116 1.6227 1.8168 1.0392 0.6550 1.7816 1.1373 16.5601 12.0716 0.5275 0.7797 0.6090 0.5377 4.2668 1.3470 2.2403 1.2320 0.9237 0.7834 0.8674 0.8009 1.1230 1.1063 0.7540 0.9893 1.7291 1.7426 0.6719 5.2240 1.5383 1.6421 0.9285 0.8158 1.3018 1.3627 0.8354 2.2919 0.5878 1.3582 2.4180 3.1078 1.1292 1.5684 1.2504 0.8625 2.0888 40.5078 0.9358 0.7415 pantothenate (Vitamin B5) 0.7418 1.7276 0.6378 0.7536 1.3693 1.6855 0.3588 1.5010 0.9367 1.0522 0.2857 0.4523 0.4429 2.3890 0.6369 1.3845 0.4538 1.8123 0.9484 0.9383 0.5838 1.0269 2.5791 2.7410 0.9763 1.1873 1.2597 1.4499 3.5319 2.9432 0.4636 0.8959 0.6282 0.8846 0.6307 0.7403 0.8617 1.8896 0.9318 1.4019 0.5440 1.3839 0.9301 2.5740 0.8199 1.1383 2.7698 3.1304 1.6968 1.6736 1.0337 1.5214 0.6444 0.8899 0.5511 1.5101 0.9706 1.3128 0.6407 0.8951 0.8779 1.0237 0.4851 0.6486 0.3653 1.4768 2.0617 4.5560 1.9581 1.4174 paraxanthine 1.9346 0.0543 0.1362 0.0543 0.3544 0.0543 0.7178 0.0543 0.0543 0.0543 1.0123 1.6037 1.6685 0.0543 4.3176 0.0543 2.4291 0.0543 0.0543 0.0543 0.0543 0.0543 4.2707 0.0543 2.1136 0.9877 0.4608 0.0543 0.0543 0.0543 0.6552 0.0543 0.0543 0.0543 0.6984 0.0543 0.9107 0.1896 0.0543 0.0543 1.6358 0.0543 1.1916 4.4540 0.4587 0.0543 3.3595 0.0543 2.3910 0.2217 2.4324 1.3802 0.5050 0.0543 0.9652 0.0543 0.7772 0.0764 0.3059 0.0543 0.0543 0.0543 0.1750 0.0543 0.0543 0.0543 1.9728 3.4065 4.0138 0.0543 p-cresol glucuronide* 1.6053 3.9170 1.3036 1.4007 0.2408 0.2655 0.2151 0.8424 0.4655 0.5089 3.0656 1.9799 1.4721 0.3713 3.2687 3.2375 1.6887 0.4390 0.4725 0.5990 0.0673 0.7016 0.2930 0.3800 1.1558 0.6464 0.9847 0.6308 1.0938 1.1957 1.2323 2.9894 0.8905 1.7907 1.0742 1.0153 1.3019 1.0985 0.1902 0.2137 0.7049 1.8158 0.3880 1.4700 1.6980 1.6486 7.4270 0.7051 3.5339 0.6526 1.0541 0.6195 1.5494 0.8886 3.9311 5.2241 1.8043 0.9380 0.2985 0.7172 3.4703 1.3725 0.2874 0.8323 1.3798 3.6081 0.5062 0.5276 0.3195 0.3044 p-cresol sulfate 0.8836 1.8699 1.0950 0.8878 0.4195 0.4875 0.3435 1.1353 0.4531 0.6589 1.3934 1.3655 0.6651 0.2869 1.2988 1.3267 0.8664 0.6019 0.6428 0.7859 0.1354 0.5430 0.4024 0.4177 1.2653 0.9003 0.6244 0.7720 1.2166 0.9061 1.2259 1.8065 0.9828 1.3819 0.7007 1.0172 1.3486 1.5662 0.5178 0.4745 0.9286 1.8945 0.4698 1.5382 1.2730 1.4449 2.0666 0.9246 2.0321 0.7076 1.1171 0.8046 1.2327 1.0385 2.1953 2.8056 1.1276 1.0226 0.7464 1.3386 2.0144 1.2341 0.6511 1.5091 1.2055 2.0479 0.7846 1.1388 0.5710 0.6358 phenethylamine 2.1024 0.1984 0.1984 0.2081 0.1984 0.1984 0.1984 0.1984 0.4349 0.1984 1.9346 1.5161 0.9502 0.1984 0.5719 0.1984 0.1984 0.1984 0.7151 0.1984 1.1949 0.4076 0.1984 0.1984 5.0893 0.1984 1.1551 3.1312 0.1984 0.5874 0.1984 0.1984 0.1984 0.1984 0.4779 0.1984 0.4132 1.3087 0.5075 0.1984 1.4630 3.3692 0.8517 0.1984 0.1984 0.1984 0.1984 0.1984 11.5297 20.9154 3.2735 0.3782 3.0613 0.1984 0.4092 0.1984 0.6969 0.1984 2.4563 0.5987 1.0498 0.5629 0.6433 0.1984 1.2865 2.2471 0.6018 0.1984 3.4801 0.1984 phenol glucuronide 0.4839 1.0380 1.5797 4.7013 0.5891 0.2014 0.3857 1.3394 1.4892 1.6019 2.0613 0.7134 1.4737 1.9807 1.0729 1.5596 0.2014 0.4742 0.6378 0.4684 0.5941 0.7396 0.6108 0.6352 0.8979 0.4203 1.2703 1.3482 0.7164 0.5458 0.6878 1.4228 0.5947 0.7282 0.8293 1.1495 0.5514 0.7818 1.7759 1.7300 0.8762 0.9637 1.7313 1.5035 1.9795 1.5459 1.0222 1.3900 2.9967 1.5113 0.8907 1.2985 0.9624 1.0878 1.4662 1.4303 0.3941 1.1523 0.9509 0.7308 1.2552 0.8919 0.8388 0.7808 0.9233 1.4155 1.0000 0.6215 1.7170 3.1015 phenol sulfate 0.2587 1.2010 0.9288 3.0898 0.6103 0.7127 0.3401 1.0349 1.0226 1.5685 0.6453 0.5185 0.6591 0.7499 0.5795 1.1067 0.2199 0.8583 1.3975 0.5615 0.3698 0.6962 0.6957 0.6902 1.1042 0.4153 0.6945 0.9508 1.1031 0.6357 0.3650 1.0292 1.1200 0.7186 1.4683 1.1977 0.9556 1.2097 1.8904 1.1981 1.8089 0.9475 3.8484 1.1802 1.8818 1.7492 0.9201 1.4771 1.6713 1.2825 0.8093 0.8981 0.7014 0.9107 1.4158 1.1913 0.5815 1.8738 0.8326 0.9419 1.1382 0.9774 1.7765 1.6648 0.8180 1.0992 1.4501 1.1273 1.6537 3.0336 phenylacetylalanine 1.5498 1.1066 0.9928 0.9640 1.9795 0.4790 0.4943 0.8645 0.6205 0.8982 2.5360 0.8243 3.8112 0.5732 0.6398 0.8574 1.0072 0.3894 0.4081 0.6796 0.4424 0.4855 0.3741 0.2627 4.8106 1.4231 1.6911 2.3540 2.1419 0.9088 2.5975 2.3960 0.9155 0.8408 1.1539 0.9492 1.1320 1.3073 1.1904 1.2363 4.8530 1.7850 0.8417 0.7621 3.9151 1.4407 1.2630 1.8416 1.0795 0.4905 1.1709 0.5103 1.1849 1.3394 5.5267 1.7357 1.1535 0.8812 0.4725 0.5322 3.7498 0.7551 0.3064 1.4556 3.4571 6.3735 0.3376 0.6169 0.3349 0.5304 phenylacetylglutamate 0.6459 1.6094 1.3614 1.4274 0.8637 0.7073 0.3371 0.8756 0.7999 1.1078 2.0130 1.6663 1.0000 0.6741 1.0369 1.0620 0.4623 0.5626 0.5181 0.6560 0.2398 0.6547 0.4598 0.4234 1.7041 0.8388 1.0412 0.8469 1.1985 0.6636 1.0402 1.6709 1.1249 1.1076 0.8221 0.9606 1.2185 1.8781 0.5307 1.1640 1.4300 2.5328 0.5864 0.7883 1.2797 2.0140 1.0724 2.0070 1.3916 0.3434 0.6394 0.2694 1.2309 0.9287 1.2060 2.2691 1.0100 0.5786 0.5229 0.7951 1.5518 0.7712 0.3798 1.8479 1.9360 3.0216 0.4655 0.2398 0.5932 1.0047 phenylacetylglutamine 1.7431 2.6843 0.8729 1.1902 0.5225 0.5011 0.4174 0.9431 0.5071 0.7520 1.0813 0.7272 0.6783 1.0307 1.2736 1.1991 1.9312 2.4251 0.9154 0.8348 0.2884 0.9560 1.3421 0.7651 1.2484 2.4150 0.8689 1.7893 0.8175 0.6954 0.9634 1.3685 0.9693 2.9242 0.6755 0.8446 1.1090 1.4572 0.9367 2.5879 1.5345 2.6557 0.8830 2.0088 1.0789 1.3088 1.1052 1.3744 2.3022 0.5102 0.8770 0.5976 1.4284 1.1068 1.4038 2.9280 0.7569 0.5153 0.6475 0.8276 1.6665 0.8846 0.4336 1.5394 1.6580 2.2174 0.7258 0.9316 0.8975 1.0825 phenylacetylglycine 1.1797 2.2658 0.8860 1.2520 1.2415 0.5718 0.3446 0.7898 0.4433 0.3713 1.2546 0.8885 2.9673 0.4856 1.6865 0.9195 2.6358 1.5438 1.7873 0.4520 0.2375 0.6776 0.9039 0.5768 2.3345 2.1023 0.4845 1.5095 1.2790 0.5688 1.5823 1.8368 1.4109 1.8701 1.1702 1.0651 0.7353 0.6077 0.8095 3.0198 3.1000 2.7570 1.5488 1.1701 1.7313 1.4334 0.8749 0.4413 1.7072 0.2375 0.6544 0.4756 3.2361 1.0000 0.9940 1.4435 0.5227 0.7355 0.7156 0.7636 2.0780 0.5994 0.6176 1.2402 3.2373 0.9071 0.5433 0.6981 0.2375 0.2375 phenylacetylhistidine 1.6401 3.3661 0.9667 1.4239 0.5793 0.3761 0.4166 0.6343 0.7442 0.6187 1.2150 0.7188 1.1243 0.8574 1.8598 1.3838 1.4694 0.9514 0.7509 0.8480 0.1669 1.0333 0.5898 0.4661 2.1801 2.2603 0.8091 1.8522 0.5749 0.7037 2.0024 2.5393 1.4315 2.2316 0.4147 1.0679 1.1756 1.1957 0.8464 1.7826 1.4318 2.3215 0.5731 1.5411 1.2726 1.2062 1.2209 1.8550 2.8705 0.4035 0.7028 0.3658 1.6128 0.9341 1.1471 2.4054 0.7174 0.3464 0.4969 0.6689 1.4087 0.6515 0.2727 1.1324 1.7593 2.4018 0.5037 0.4483 0.4610 0.6065 phenylacetylmethionine 0.8141 1.8833 0.9490 1.2371 0.6435 0.4238 0.3073 0.5628 0.4447 0.4505 1.6251 1.4554 0.9146 0.4079 1.5298 0.9654 0.6901 0.3805 0.4401 0.6309 0.1738 0.7575 0.2276 0.3561 1.7968 1.3117 1.2119 1.1474 0.8111 0.7284 1.3222 2.2872 2.5263 1.4881 0.7758 1.2225 1.2557 1.3813 0.8269 1.4405 2.8060 2.9194 1.0839 1.1265 1.2193 1.3632 1.0346 1.2540 1.9794 0.4452 0.7401 0.4703 2.2729 1.4913 2.0357 2.2935 0.7979 0.5974 0.5624 0.9306 1.9619 1.0522 0.5271 2.2846 1.4182 1.4742 0.7111 0.5415 0.3118 0.4747 phenylacetylphenylalanine 0.2552 1.3224 1.0002 1.3638 0.4978 0.2552 0.2552 0.2552 0.3539 0.2552 1.4763 1.2898 1.5751 0.2552 0.7670 0.7954 0.2552 0.2552 0.2552 0.5710 0.2552 0.3648 0.2552 0.2552 2.0855 1.1823 1.0651 0.9815 0.3485 0.4307 0.9300 1.9087 0.7756 0.6311 0.6419 0.8718 1.3815 1.7559 0.8481 1.5813 1.6461 1.7538 1.1758 1.1492 1.1170 1.3138 0.5000 1.1505 1.7948 0.6366 0.6016 0.3822 1.9368 0.9531 1.4722 1.8579 0.6776 0.5436 0.3891 0.9998 1.7379 0.9486 0.4129 2.0779 1.0580 1.3567 0.4228 0.2552 0.2552 0.2552 phenylacetylserine 1.0793 2.2138 1.5041 2.1725 0.5407 0.6426 0.3554 1.0329 0.6269 0.5474 1.7609 1.6857 0.6443 0.7955 1.3700 0.9837 1.1254 1.2917 0.9187 0.9481 0.0821 0.6561 0.6911 0.6045 1.7936 1.9659 0.9561 1.4720 0.7336 0.7829 1.0163 2.0936 1.4506 3.5295 0.6125 1.1876 1.2622 1.5471 0.9012 1.9900 1.4954 2.3864 1.3984 1.8088 1.5599 1.7303 0.5988 0.8295 2.8110 0.4821 0.5280 0.3774 1.8245 0.9433 1.0164 2.8433 0.7862 0.4684 0.4371 0.8091 1.9080 1.0187 0.6027 2.5314 0.5168 1.5621 0.8242 0.4686 0.5694 0.7410 phenylacetylthreonine 1.0129 1.6489 1.7139 0.9516 0.5796 0.4545 0.4194 0.7201 1.0210 0.6128 2.6339 1.3346 1.5605 0.7086 1.8482 1.0520 1.1325 0.4821 0.6977 0.5131 0.1778 0.4784 0.3670 0.4460 2.6847 0.8716 1.8295 1.4938 0.9048 0.3234 1.4312 1.7960 1.8733 1.5702 0.6880 1.4136 1.2993 1.5612 0.3708 0.7884 1.2009 1.3174 1.3491 0.8604 0.9716 1.1677 0.9603 1.3312 3.0449 0.4496 1.0212 0.3547 1.9528 0.9871 1.6796 2.1453 1.1596 0.4998 0.5589 0.5499 2.0810 0.7473 0.4078 1.8486 1.3090 2.7272 0.6380 0.3136 0.3581 0.4522 phenylalanine 1.2774 1.5268 0.8760 0.8856 0.9809 0.7274 1.1008 1.6879 0.5706 0.7994 0.8410 0.9689 1.2275 1.7366 0.6535 0.7688 0.8817 1.8182 0.5725 0.6889 0.6585 0.6168 1.1278 1.3296 1.6259 1.4422 0.8268 0.9350 0.6638 0.6769 0.6091 0.7931 0.8143 1.0380 2.2430 1.5187 0.9725 1.4613 1.5478 1.5842 1.2779 1.5975 1.5556 1.7704 1.1091 1.3466 1.7731 1.7190 0.5301 0.9919 1.6183 2.2846 0.8300 0.8744 1.1736 1.3716 0.8569 1.4274 0.5809 0.7678 1.0514 1.0081 0.9764 0.9761 1.0256 0.9191 0.6132 0.8901 1.3443 1.0697 phenylalanylglycine 1.8515 1.9485 1.4977 0.7395 1.7763 1.2637 0.2729 0.6936 0.5742 1.1497 1.2176 0.9860 0.2973 0.8944 1.1789 1.0022 0.9788 2.0526 0.5373 0.5149 0.6004 0.7272 2.2706 1.6838 0.9580 1.0641 1.4686 2.1550 0.7763 0.6151 0.3876 0.5662 0.4933 0.5495 1.5946 0.7834 1.3518 1.1232 1.8355 1.4213 0.8309 0.9978 0.8157 1.4941 1.0666 1.5306 2.0933 1.3557 1.3454 1.2243 0.6189 1.0804 0.5480 0.4560 1.0795 1.4652 0.7061 1.6328 0.7091 0.9685 0.7983 0.8032 0.9056 0.9288 1.9711 1.6269 0.4659 0.6438 1.7430 1.4132 phenyllactate (PLA) 0.5289 0.9520 1.2465 2.7253 0.9508 0.5477 0.5431 3.8119 0.2924 3.6787 0.9999 0.4601 1.1866 0.6542 0.5592 2.5613 0.7221 2.4273 0.8674 1.6534 0.1752 0.4238 0.4882 1.9692 0.5739 1.9196 6.6597 10.8043 0.3243 0.5038 0.7137 0.9661 0.3382 0.6219 1.0001 0.6925 1.6962 3.0574 1.0297 0.8866 0.6889 0.3987 1.2107 2.1984 0.2205 0.3203 1.0321 0.4842 1.2001 1.2992 3.2948 2.7834 1.4623 2.0442 3.5624 2.3686 0.2913 1.1821 1.4923 2.6478 0.8897 0.4376 0.6542 0.4418 1.4531 1.1332 0.4510 1.8467 1.7634 1.7320 phenylpropionylglycine 0.5550 1.2230 0.0454 0.0454 5.4629 3.4353 1.5713 1.7026 0.0454 0.0499 1.8230 1.9777 0.7008 0.5344 0.5646 0.4574 0.9600 0.2289 1.0176 0.9229 0.1572 0.2049 0.7971 0.5239 1.4651 0.6752 0.6041 0.6770 1.1441 2.1580 1.2640 0.8016 1.5542 1.5120 3.8265 2.3546 0.8830 0.6898 2.1873 1.7678 5.4979 2.4114 1.3913 1.4539 3.2300 0.9169 0.7073 0.8795 0.9904 1.3783 0.4998 0.3342 0.4517 0.9637 0.0683 0.0889 1.1013 3.0121 0.8119 1.7404 2.3409 0.7423 1.7010 2.4610 1.0263 1.0096 1.3228 1.3619 0.0826 0.4376 phosphate 0.9987 1.1311 0.8046 1.2274 0.8454 0.7477 1.0479 1.2196 0.6341 0.8961 0.6026 1.4402 0.8673 1.3802 0.9743 0.9732 0.4205 1.2841 0.9559 0.4409 0.9077 0.9296 1.2462 1.1816 0.9762 0.4254 0.8572 0.2622 0.5865 0.6259 0.2664 0.4970 0.8520 0.5736 0.9191 0.7805 0.6551 1.4613 0.7910 1.2064 1.3733 1.9820 1.1875 1.0526 0.8564 1.0946 1.4220 1.5822 1.5221 1.2436 1.4169 1.2154 1.0463 0.8367 0.8721 1.1864 1.3713 1.0029 0.3511 0.7305 1.3741 1.3302 1.1799 0.8535 2.4720 1.4155 1.0013 1.5496 2.2350 1.1601 phosphocholine 1.9498 1.5204 0.5358 1.5758 2.8076 0.1964 4.2979 2.4922 0.9916 0.9260 0.4078 3.0347 1.5214 1.5524 0.5750 0.8934 0.5251 3.5681 1.2536 0.3948 0.5647 0.5806 2.5165 1.5414 0.9553 0.6038 0.5936 0.4259 0.5365 1.4914 1.4075 3.0614 1.4913 0.7627 3.6543 1.1338 0.4026 1.9700 0.1964 0.1964 2.0140 0.9612 0.9071 0.2019 0.5444 0.8497 0.5201 0.1964 0.9965 1.8044 1.5466 0.5450 1.5434 0.7263 1.5759 0.7696 3.4040 0.9615 0.2062 1.1244 2.1549 2.3670 0.7109 0.4530 6.3646 1.0000 1.2452 1.0521 1.9318 0.4766 phosphoethanolamine (PE) 2.2384 1.4963 0.3654 1.6922 1.5473 0.5520 3.0110 2.6760 0.6070 0.6651 0.3147 1.5583 0.9289 2.4274 0.6156 0.6412 0.9080 4.8923 1.6507 0.4642 0.5650 0.7863 2.7675 1.5092 0.9975 0.4693 0.4737 0.2479 0.2793 0.7478 1.3322 2.7731 1.5335 1.4537 1.3816 1.3340 0.3071 1.4506 0.3544 0.5899 1.3588 1.2537 0.6189 0.2956 0.6913 0.7893 0.7431 0.8631 1.6988 1.3126 1.5820 0.7708 1.4326 1.0025 0.6761 0.9027 1.9617 0.9081 0.2445 1.0769 1.6070 1.9274 1.1917 0.7317 2.6366 1.1843 0.7420 1.0625 1.4917 0.3180 picolinate 1.4368 1.6743 0.8097 0.6476 1.1514 0.7382 0.9600 1.1007 0.3049 0.4369 0.4530 0.5047 0.6403 0.9217 0.8118 0.6242 1.3173 1.8073 1.7525 2.7418 0.4504 0.5410 0.6990 0.7148 0.8589 1.7706 0.9106 1.6695 0.7893 0.8610 1.5653 1.3557 0.5500 0.9815 0.7134 0.8820 1.3086 0.9617 1.2721 1.0526 1.7757 1.0931 0.9444 1.7991 1.0185 1.1124 0.8738 0.7112 0.8519 0.6594 2.2715 2.6980 1.6913 1.7288 0.8910 1.9269 0.8535 1.2790 0.6859 1.2347 1.1524 0.8987 1.4685 1.5431 1.5289 1.3116 0.6481 1.3830 1.1940 1.5790 picolinoylglycine 1.8054 1.4232 0.5742 0.7141 1.6174 0.9025 1.0150 0.7875 0.5901 0.8881 0.9224 0.8244 1.5454 1.9788 1.4817 0.9199 1.0505 1.7199 0.9207 1.8107 0.6322 1.1341 1.3018 0.9031 0.7365 1.3877 1.2185 2.0820 0.5663 0.8106 0.9202 0.7393 0.9178 1.6176 0.7833 0.8047 1.3712 0.8188 0.9576 1.4970 1.2354 1.3503 1.1347 2.5382 0.9112 0.7007 3.7406 2.7442 1.7298 1.1352 1.0510 1.0806 0.9850 0.7190 0.7003 2.1407 0.8251 1.1363 0.3889 0.9391 1.6133 0.9832 0.8705 0.6722 2.1000 0.9457 0.9192 2.5515 3.0840 2.2486 pimelate (C7-DC) 0.2070 0.9128 1.3118 1.2688 1.9237 0.7465 1.3685 1.0788 0.5785 0.9308 0.6350 1.2600 2.0475 0.3396 1.0262 0.9847 0.2753 0.3010 0.6444 0.3774 1.0876 0.4371 0.4623 0.6496 0.5942 0.1598 0.7034 0.4082 0.6644 0.3006 0.2927 1.3689 0.9663 0.3772 3.8059 0.5978 1.3854 1.5374 1.0803 0.6164 1.6205 1.5213 1.5694 1.1333 1.1299 1.0015 0.4272 1.0051 1.8860 1.8389 0.7574 0.9985 1.0458 1.0734 2.2673 1.4386 0.4321 0.6258 0.4821 0.6198 3.3083 2.3111 2.2066 1.1984 4.9966 1.5935 1.2169 1.9372 0.9061 0.4214 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 0.5876 1.7659 1.0595 1.1557 0.7736 0.7927 0.4485 1.0364 0.5423 1.0002 1.0265 1.1550 0.6762 0.8490 0.7123 0.8665 0.6548 0.9819 1.2225 0.7340 1.1020 0.9636 1.5822 1.0664 0.8600 0.5796 0.5698 0.5284 0.9434 0.5574 0.3541 0.6815 0.8360 0.8564 1.8775 0.5368 1.5118 1.3610 1.5049 1.4534 1.0945 2.0283 1.2760 1.8453 1.1005 1.0206 0.7200 0.8433 3.8319 1.8891 0.9339 1.2290 0.9321 0.7531 0.6430 1.4130 0.5824 0.7254 0.5743 0.4850 2.2216 1.7303 1.2551 0.9998 1.2682 1.4491 1.0720 2.3561 2.6242 1.3442 pipecolate 0.5926 0.1877 0.9801 0.3831 0.7429 1.0113 1.0222 0.9887 0.5133 0.7089 1.0532 1.6620 0.5853 0.6538 0.6432 1.4218 0.6658 2.0333 0.3036 2.3614 1.0912 0.9170 1.1829 0.8543 0.2818 0.5646 0.4372 1.7472 2.0471 2.4340 0.1877 0.2926 0.4862 0.1877 2.3975 1.5337 0.9820 1.4522 1.4424 1.6626 0.1877 0.9144 0.5435 3.5772 0.1877 0.4227 0.9134 0.9732 1.0469 0.6114 3.8108 1.2602 0.4363 0.6110 1.7217 1.5924 1.6158 0.8485 1.2477 1.8843 0.9270 1.3227 1.0137 0.1877 1.0778 1.0793 1.5394 1.2395 0.1877 0.9148 piperidine 1.2845 2.6951 0.4770 0.3016 0.1080 7.9575 0.9732 1.1067 0.2600 0.9635 0.8914 0.9265 1.7965 8.8468 1.8053 3.0344 0.0066 0.3790 0.5921 0.0117 0.8297 1.0344 1.7236 4.1827 1.3043 0.0136 5.4717 0.1397 1.0015 0.0195 0.0130 3.3597 0.6090 0.6790 1.8680 1.7296 2.1300 4.5202 0.0276 0.0504 0.8759 1.6942 0.8433 2.1903 1.3599 1.1399 0.5271 1.4358 0.5798 6.4509 3.1251 0.4692 0.3699 0.0163 4.0945 3.6909 0.9811 3.5814 0.4986 0.0341 0.9985 1.1768 6.7406 1.5479 1.3842 2.0820 1.3914 0.0103 0.5565 0.0580 pregnanediol-3-glucuronide 0.3465 1.0981 0.6907 0.5049 3.9878 0.6362 0.2934 0.9950 0.3291 0.7126 2.1923 7.3270 0.5062 1.1543 1.0050 2.0278 0.1418 0.5355 0.5876 2.4659 0.3456 1.8803 0.6776 0.8638 1.8380 6.4090 0.7605 0.6947 0.5309 2.9472 2.4364 3.9876 0.7024 0.4557 1.1909 0.8923 1.1428 1.3935 1.0369 1.1059 1.3385 4.6575 1.8798 8.2290 1.1366 1.0684 0.6802 0.6342 0.7933 0.7586 1.2828 0.7428 0.3937 0.8494 2.1264 1.6078 0.3758 1.0419 0.6617 4.1560 0.7877 2.7076 1.7535 1.0196 0.7946 1.8054 0.7515 0.9474 0.9830 1.0254 pregnen-diol disulfate* 0.1718 0.4064 0.6039 0.5877 0.5750 0.4198 0.5355 1.8027 0.5227 1.0866 1.6095 4.2449 0.5598 0.8813 0.9626 2.3722 0.1054 0.4719 0.4257 0.5874 0.3571 0.4986 0.3890 0.5806 0.5073 0.4048 1.1102 1.3586 0.5663 0.8886 1.0307 1.3629 0.2680 0.4201 1.0927 1.1441 1.1836 1.4621 1.4222 1.9658 0.6034 1.0030 2.3943 3.2239 0.2134 0.3990 0.9970 1.0992 1.2449 1.9867 0.5290 1.0311 0.3850 0.5106 1.0816 1.6578 0.3065 0.8402 0.8887 1.5865 1.0114 1.5121 1.4138 2.9446 1.1856 1.3094 1.7625 4.4090 1.1666 1.1429 pregnenetriol disulfate* 0.2967 0.6733 0.8262 0.8030 0.5892 0.4741 0.9363 3.2536 1.0017 2.0737 3.0159 6.4613 0.5900 1.1352 1.1185 2.2176 0.1655 0.7733 0.5910 0.5730 0.3864 0.4656 0.4311 0.6318 0.9344 0.3841 1.0592 1.2123 1.1079 1.1112 0.9567 1.1075 0.3484 0.5163 2.1091 1.6260 1.1408 1.4734 1.8989 2.1366 0.8868 0.9983 1.9895 2.3686 0.3399 0.7115 0.8446 0.9604 0.8850 1.0523 0.5246 1.0700 0.4514 0.4691 1.0271 1.5930 0.2782 0.7896 0.7774 1.0236 1.1115 1.1710 1.9332 4.0028 1.4753 1.6392 1.3665 3.7672 1.3768 0.9328 pregnenetriol sulfate* 0.3357 0.6241 0.6852 1.0614 0.1216 0.9840 0.0855 0.8158 0.2388 0.5874 0.1906 2.5462 0.0855 1.1732 1.0000 9.7272 0.4898 1.7246 1.2346 1.8759 0.0855 0.0855 0.2315 0.5343 0.1014 0.1542 0.6648 1.3493 0.0855 0.0855 3.0687 7.2341 1.0623 2.0301 0.0855 0.5602 0.1864 0.8019 1.1569 2.6708 0.7705 1.5673 14.6126 24.9999 0.1187 0.1468 2.0521 0.9595 5.6231 7.6897 0.7808 3.2810 0.3933 1.2461 3.6232 2.3713 0.0855 0.4851 2.4237 7.7493 2.0938 2.3884 0.0855 1.1447 0.0855 0.8998 0.4020 0.4473 0.7580 3.6780 prolylglycine 0.6569 0.9306 0.8447 0.7900 1.3306 1.2871 1.4726 0.8698 0.5304 0.9363 0.5408 0.7703 1.4506 1.5216 1.2187 0.4487 0.2233 0.5705 0.6713 0.4815 2.0145 3.2098 1.8961 1.6304 0.4756 0.2281 1.5163 1.5953 0.6450 0.2233 1.0035 1.2933 0.5085 0.3967 1.4443 0.5600 0.4445 0.5209 0.9882 0.8350 0.6678 0.7706 0.2233 0.2233 2.0449 2.7130 1.3784 1.8465 1.1868 0.3119 1.8805 1.7471 1.0000 0.9193 1.6717 3.1687 0.6467 0.8286 0.7098 0.6516 1.4192 0.9998 2.2667 1.4148 2.8816 2.0581 1.5123 2.0202 2.4567 1.1762 prolylhydroxyproline 0.8833 1.4376 0.4869 0.7701 0.6193 0.6083 0.5901 1.2941 0.2173 0.6627 1.4491 1.4094 0.4472 1.0326 1.2030 1.2694 0.8819 2.2442 0.8882 0.6827 0.6455 1.1111 1.8011 1.3209 0.9674 1.1062 0.8916 0.9363 1.0374 0.6714 0.5060 0.7673 0.5967 0.9228 1.1407 1.0472 0.8209 1.1643 1.0421 1.7357 0.8010 1.6996 0.9480 1.4111 0.6977 0.9170 1.3546 1.4276 1.4869 0.9315 0.5402 0.8630 1.0572 0.7486 1.5184 3.0850 0.5494 0.8228 0.5450 0.6537 1.6372 1.8686 1.4051 1.7826 1.6601 2.2011 0.6874 1.3393 2.0836 1.2968 propionylcarnitine (C3) 4.2694 0.3900 8.1504 0.6823 2.1644 0.3398 0.3263 0.7279 1.5515 0.0877 0.2527 1.7530 0.8676 0.3047 2.0644 0.5506 6.7130 1.7859 8.7474 0.5625 0.3291 0.2915 8.2106 1.9377 2.5510 0.6772 1.5838 0.3155 3.9829 0.5316 0.9168 0.8714 1.6009 0.4490 2.5098 0.2622 0.0942 0.8701 0.8853 0.7017 0.5701 0.8087 4.5306 0.2822 2.9321 9.3486 5.3633 2.1731 0.9880 0.4029 3.4100 1.0000 0.8941 2.8716 0.3826 0.0877 1.3598 0.8746 4.8257 0.0877 7.7484 1.4884 2.6704 0.0877 3.3444 6.0540 1.1979 0.2687 6.5363 1.5253 propionylglycine (C3) 0.2238 1.3190 0.2562 0.2238 1.8067 0.7780 0.9207 0.2238 0.2238 0.2238 0.6202 0.2238 0.7396 0.2238 0.2238 0.2238 0.2238 2.6351 0.2238 0.2238 0.2238 0.2238 0.2238 0.2238 0.2238 0.2238 0.2238 1.0227 0.9460 0.6853 0.3853 0.4684 0.3954 0.2238 0.2238 0.7442 0.6682 1.3042 1.6066 1.5808 0.9251 0.9773 1.7967 2.0035 1.4492 1.7391 1.1768 1.1245 0.6191 1.2076 1.2867 1.0390 0.9300 0.7269 0.2238 1.9934 1.0451 1.3573 0.8463 1.1564 0.9351 0.4023 0.6712 0.8577 0.2238 0.2238 2.0320 1.7931 0.2238 1.2004 propyl 4-hydroxybenzoate sulfate 1.8466 4.1440 0.2584 0.0410 0.4492 0.5031 1.4726 0.2671 0.3155 0.3433 1.0869 0.0410 0.0532 0.7113 0.2190 0.9311 0.7026 1.3125 0.0410 0.7610 5.5098 9.6364 0.0410 0.0410 0.0410 0.0410 1.5568 0.6288 7.5926 1.1598 6.5490 3.9754 9.4571 22.6710 0.3598 0.6820 0.2005 0.6660 0.8338 1.0000 0.0410 1.8699 0.2743 0.7188 0.0410 0.2947 0.2444 0.1196 2.2755 1.6538 3.2135 1.3844 15.6550 18.6812 11.8354 6.2537 0.2285 3.5697 8.3087 6.2844 5.1483 0.5413 31.0954 24.0552 461.1680 0.3774 0.7064 0.1023 0.0410 0.8055 pseudouridine 0.6552 1.4063 0.9729 0.9508 0.8075 0.8692 0.5720 1.4466 0.5979 1.1406 1.0040 0.9583 0.6749 1.1441 0.6417 0.9606 0.5488 1.3845 0.8267 0.7600 0.6679 0.8932 1.4423 1.2448 0.7938 0.8484 0.9164 1.1676 1.1566 1.0375 0.6219 0.9435 0.5170 0.8723 1.0815 0.9057 0.9960 1.8247 1.5235 2.2811 0.6823 1.9597 0.8170 1.2905 0.6836 1.5022 1.1565 2.0664 0.8855 1.1127 0.6165 1.1951 0.8961 1.7090 0.8704 2.8457 0.8254 1.7844 1.0207 1.8730 1.5068 1.6001 1.1473 1.6150 1.5605 1.6535 0.7057 0.8371 1.7569 2.4104 pterin 1.1614 2.2186 0.3182 0.5862 0.5306 0.5976 0.9272 1.7332 0.7283 1.3774 0.4840 0.3223 0.4914 1.9758 1.2493 1.2897 1.4341 3.2213 0.8577 0.4666 0.7087 0.5136 2.5956 1.4050 1.0379 0.6882 0.8644 1.3519 0.8785 1.1824 0.9285 1.1026 0.5585 3.2319 0.4147 0.2409 0.8071 0.7738 0.6751 0.9668 1.0988 1.7158 0.2513 1.1032 0.7831 0.7779 0.7437 1.2893 0.4418 0.5705 1.0527 1.1204 1.0514 0.7918 0.8462 1.6542 1.0715 2.1058 1.7607 1.1208 1.0010 1.0085 1.1460 0.9990 1.4807 1.3255 1.0062 0.9171 1.3695 0.8768 pyridoxal 0.8105 1.0086 0.4452 0.3881 0.4729 0.6363 1.0531 1.6240 1.6293 1.6545 0.3132 0.2917 0.2814 0.7149 0.6452 0.6344 1.3998 2.5846 1.1517 0.1869 1.3210 1.5275 3.2086 2.8576 1.0979 0.9914 2.4604 2.3242 2.1520 0.5780 0.2042 1.1599 0.8593 1.5616 0.9255 0.6392 0.6999 0.7532 0.2809 1.9701 0.6452 1.3309 1.2525 2.9596 0.5143 0.9322 1.7753 1.5263 1.1044 2.6004 0.6720 0.9042 0.9413 0.3441 0.6522 2.2793 1.7646 1.6335 0.8869 0.2984 1.3383 1.0983 0.8616 0.5960 1.1875 0.7091 1.4485 2.9101 0.4810 1.1473 pyridoxamine 0.5725 0.7744 0.7590 0.5473 0.5142 0.7689 0.8891 2.6342 0.8667 1.4387 0.8779 0.7723 0.4796 0.7874 0.8018 0.9547 0.2365 1.6310 1.0735 0.5361 0.9418 0.9712 1.8256 3.2428 1.0868 0.5074 1.9311 1.1793 2.0147 0.6587 0.4894 2.4646 0.7457 1.1045 1.4331 0.5800 1.2888 1.0379 1.2823 0.6362 0.7568 1.3344 0.9445 1.7843 0.4936 1.1789 1.7467 1.3477 0.2365 1.6605 0.5713 0.8231 0.9025 0.4012 0.7096 2.2869 1.0964 1.6533 1.8409 0.7788 1.0288 1.0355 1.2221 0.6508 1.2136 1.6108 1.3696 1.6309 1.7119 0.2365 pyridoxate 0.4401 1.0246 0.6085 0.5366 1.4356 0.8740 0.6503 1.2849 1.4027 1.4481 1.5420 1.1057 0.5397 1.1632 0.9533 0.7520 0.3535 0.9448 0.8973 0.5096 1.8750 1.4560 1.9519 1.1019 0.6179 0.4744 1.5660 0.9921 2.4155 1.8481 0.4698 0.7877 0.7642 0.5242 1.4416 0.6816 1.7251 1.5194 1.1089 0.9717 0.7820 1.0438 1.4986 1.2868 0.8315 0.9771 2.4615 2.3550 1.6396 4.7771 0.4980 0.7743 1.0467 0.7478 0.8023 2.4647 1.4199 2.0082 0.3848 0.6930 0.8893 0.6864 0.8613 0.9271 0.7529 1.1566 2.4746 8.4470 1.8694 1.0079 pyroglutamine* 1.0410 0.6416 0.8774 0.6023 0.9819 0.7275 0.8788 1.5187 0.4539 0.3588 0.8465 0.4594 0.7352 0.8389 1.0222 0.7935 0.5889 1.8910 1.1980 1.3192 0.8441 0.5890 0.9436 1.3601 1.3031 1.9357 1.2215 1.3141 1.8697 1.4126 0.7464 1.0713 0.8362 1.5714 0.4578 0.6089 1.1163 0.4514 1.8762 1.4982 0.9096 1.5754 1.3518 2.8025 0.8932 1.2886 2.7503 1.5014 1.3748 0.3768 0.8455 1.5416 1.2197 0.7577 1.0362 1.5333 0.9277 1.0511 0.9439 1.0888 1.5024 0.9598 0.7805 0.7146 0.8039 0.6549 1.0181 0.8056 1.4552 1.7581 pyrraline 2.6211 0.9152 0.3660 0.8926 2.0540 1.2166 0.3149 1.1026 0.4198 0.6040 0.8775 1.3745 1.2247 0.6746 0.8349 0.8327 0.3946 0.9712 1.1710 0.5655 2.1164 1.1097 1.6127 0.8785 1.1720 0.3164 1.5263 1.2697 1.7417 0.6248 0.5978 1.4620 1.1637 1.0405 6.7864 0.9164 0.7354 0.9513 2.4015 1.1686 1.4126 1.2396 0.6624 0.7759 0.8643 0.8030 3.1005 1.0058 2.2596 1.7342 1.7738 1.4039 0.6398 1.3946 0.8634 0.9064 0.2600 0.4496 0.2913 0.7667 2.0463 1.0585 0.6513 0.4520 1.8208 0.9942 0.8716 1.0770 3.6808 1.0075 pyruvate 0.5095 0.8908 1.2743 0.7841 0.6655 1.0103 0.8282 1.9112 0.7861 2.6943 1.2765 1.7645 0.9888 1.0110 0.2943 0.5757 0.4745 1.0721 0.5491 0.4145 0.7754 0.3730 1.0423 1.0894 1.6048 0.4721 1.1904 0.9897 1.2182 0.7825 0.3792 0.4802 0.5026 0.8513 2.5701 0.9788 0.4537 2.2877 2.4844 2.4938 1.2910 2.8637 0.2433 1.5707 1.1992 1.3068 1.0987 2.2440 0.5642 0.6827 1.0786 1.9621 0.8572 1.6007 0.7070 1.5085 0.5587 1.1589 0.8378 0.6931 1.0908 0.5084 0.8605 0.9350 2.4645 4.1921 0.5746 2.2147 3.0049 1.8395 quinate 0.9989 0.9743 0.5947 0.5975 8.0524 1.4071 0.1638 0.1971 0.8807 0.2362 1.6315 17.1623 4.8310 0.7973 15.6966 0.8977 1.8335 0.7421 1.6343 0.1288 3.3897 2.1329 33.7863 3.7223 15.4433 2.3077 0.4924 0.4050 1.9159 0.1803 4.1523 0.4777 1.8393 0.1532 17.1718 0.7770 8.4935 1.3284 0.3872 0.2556 14.1076 2.5678 13.8946 20.3906 7.0001 0.7913 0.4582 0.4526 16.8913 2.6883 8.5518 13.6106 0.6189 0.1101 1.0011 0.5417 1.0517 0.6004 0.6498 0.2604 0.9420 1.4954 0.4667 0.1601 0.3846 0.1812 20.3509 2.7217 50.5789 0.9318 quinolinate 1.3319 1.7116 1.3988 1.2363 0.9819 0.8568 0.7356 0.9992 0.6836 0.9256 1.2058 1.0117 0.6081 1.0989 0.9553 0.8250 1.3565 1.6347 0.9595 0.9303 0.6377 0.7828 2.0205 1.3128 1.1397 1.0011 1.3204 1.3363 1.0112 0.7879 0.7768 0.7287 0.7020 0.7061 1.0509 0.7681 1.0008 1.1681 0.7662 0.7265 1.4162 2.5793 0.8027 1.3551 0.9517 0.9413 1.0753 1.4568 0.9266 0.5736 0.7333 0.7754 1.3161 1.1513 1.1356 2.5033 0.7769 0.7410 0.5567 0.8686 0.7250 0.6382 1.2283 1.1176 1.6933 1.5370 1.0179 2.4256 1.5853 0.9816 raffinose 0.1663 0.1663 0.1663 1.9689 1.0044 1.8815 0.1663 0.1663 0.1663 1.5898 0.1663 3.8222 0.4006 0.1663 0.1993 2.3837 0.1663 0.1663 0.1663 1.0000 0.1663 0.7171 0.4467 0.3061 0.1663 0.1663 0.1788 0.6795 0.7746 0.4105 0.1663 2.1982 0.7153 1.4246 1.9834 1.1243 0.1663 2.7638 1.9488 1.7079 0.8511 3.1798 0.9685 1.0298 0.3793 0.9033 0.3530 2.2534 0.2728 1.8109 0.3305 0.9109 0.1663 0.1663 1.5042 1.2669 0.1663 1.5313 0.1663 1.2612 0.4242 0.9316 1.3083 1.1414 2.2129 0.5432 0.3166 0.1663 0.4465 0.1663 resveratrol disulfate (1)* 0.2819 0.2819 0.2819 0.2819 3.7602 0.5242 25.3368 1.3142 0.2819 1.1287 0.2819 0.4358 6.4783 0.2819 1.0041 2.2115 0.2819 0.2819 0.2819 0.9443 0.2819 0.2819 0.9695 0.3684 0.2819 0.2819 0.2819 2.4013 0.4771 0.7991 3.0180 0.2819 0.2819 0.2819 0.6935 0.9959 14.4159 0.2819 0.2819 0.2819 0.9309 0.2819 1.2851 0.8208 1.5802 1.4341 0.2819 0.2819 0.2819 0.2819 0.2819 0.2819 0.2819 0.2819 0.9318 0.7504 15.1050 0.7206 0.2819 0.5318 0.2819 0.2819 0.6372 1.1192 0.2819 0.2819 2.7616 1.2907 0.2819 0.2819 ribitol 0.4960 0.8768 0.9775 0.7382 1.4015 0.9913 1.4144 1.2896 0.9035 1.9342 0.8591 1.8580 1.0209 1.1804 0.5150 0.6122 0.3414 0.8444 0.5548 0.7034 0.9046 0.6446 0.8945 0.9573 1.4216 0.8600 0.8338 0.7638 1.1525 0.8221 0.7318 0.7381 0.4278 0.4927 1.0064 0.6776 1.1538 1.4717 0.5846 1.1046 1.1111 1.2534 1.5146 1.8136 1.1277 1.1804 1.1966 1.6041 0.9495 0.9142 1.0263 1.1635 0.8299 0.9001 1.0848 1.3800 1.1976 1.3470 0.8424 0.9791 1.2245 1.3859 1.1557 1.1178 2.8222 1.5593 0.9118 1.8348 1.3480 0.9936 riboflavin (Vitamin B2) 0.5869 2.7478 0.0321 0.3181 1.7901 1.4870 0.0321 0.8936 0.1846 0.7213 1.4343 0.9349 0.6317 3.7932 0.8335 1.0651 0.2810 1.2424 0.4381 0.5236 0.7714 3.5535 4.1629 1.6839 1.2972 1.3424 0.6154 1.8976 0.2515 0.6289 0.2200 1.3479 0.3700 0.8915 1.7054 0.4162 0.6986 1.9808 0.0321 0.0321 0.6661 0.5713 0.5521 1.3276 1.4306 1.3558 7.4850 5.7958 2.2303 14.0075 0.5271 1.4767 0.9343 0.6991 0.4442 1.4313 2.8677 5.8012 0.4187 1.4192 0.4750 1.3148 0.0906 0.5520 0.0321 0.0321 0.0321 1.1773 1.8875 1.6486 ribonate 0.3458 0.7642 1.8778 1.3129 2.2627 1.1805 1.2841 0.9015 0.2693 0.8807 1.1122 3.9662 0.7776 0.6691 0.4379 0.5673 0.2204 0.4804 0.4999 0.8625 1.1863 0.7008 0.9106 1.1979 1.5553 0.5051 0.7972 0.7886 0.8936 0.9389 0.4472 0.6676 0.3454 0.3746 1.1602 0.6325 1.9895 1.8973 1.3135 1.0623 1.4506 1.5360 1.4539 1.3936 1.1698 1.2528 1.2704 1.4687 0.5583 1.4503 0.6694 1.2506 0.8848 0.9752 1.1391 1.3565 0.9926 1.3306 0.3420 0.6358 1.0074 1.0457 1.2305 0.8911 1.3398 2.1320 0.8271 1.3436 1.1331 0.8426 ribulonate/xylulonate/lyxonate* 0.2468 0.4580 1.1069 1.4048 2.5191 1.3399 2.7541 1.0976 0.2635 1.8403 0.8106 2.8371 1.1700 1.0458 0.6978 0.9940 0.1920 0.7674 0.3177 0.8460 1.9807 1.5540 0.5669 0.9250 0.9706 0.5030 0.5644 0.6883 1.0500 1.1993 0.5632 1.0514 0.3707 0.4328 1.6902 0.9780 1.0060 2.0788 3.1793 1.0699 0.8885 1.9711 0.7931 1.0903 0.4726 0.7337 1.8533 2.0018 0.5195 0.9124 1.6294 1.5601 0.6487 1.0698 0.9532 1.9263 0.6738 1.1599 0.5643 0.9003 0.7315 1.2341 1.1572 0.9110 1.5659 1.2571 1.8400 2.3662 0.7741 0.9687 ribulose/xylulose 0.3391 0.8306 0.3624 0.7365 0.9613 1.1173 0.4999 0.9495 0.2493 1.7815 0.5527 2.0355 0.5962 0.8592 0.3950 0.9381 0.1938 0.9324 6.1440 0.9441 0.5814 1.1142 3.5986 1.7647 0.6297 0.6261 0.3510 1.0862 0.4377 1.1909 0.8915 0.9440 0.9951 0.5766 1.0863 1.1198 1.2322 2.3183 0.7550 2.6068 8.8213 2.0438 0.6196 3.2183 0.5792 1.4498 1.1333 1.5327 1.7358 2.3778 1.0049 2.0550 0.4263 0.7322 3.4117 3.9923 0.3152 2.0576 0.2909 1.2546 0.6402 2.1468 0.4257 1.0671 1.3022 1.9945 0.5490 1.0823 1.0899 1.6770 S-(3-hydroxypropyl)mercapturic acid (HPMA) 0.4513 0.7029 0.7221 0.9881 0.4105 0.7362 2.1218 1.2694 0.4620 2.5882 0.4021 1.5592 0.8906 1.2443 0.4614 2.1684 0.1899 1.0574 0.4823 1.2566 1.4710 1.4321 0.4402 0.8965 0.2823 0.3082 0.4199 0.6662 1.1496 1.1861 0.5304 1.2728 0.3675 1.1258 3.4722 1.6662 0.4694 2.8625 11.3419 1.5013 0.6499 2.8629 0.2738 0.9280 0.4236 1.3713 1.0119 3.7093 0.5100 1.3938 0.9636 2.4441 0.7341 2.0626 0.8380 2.0027 0.4233 1.3724 0.6375 1.5238 2.0605 2.7128 4.5482 1.0573 0.8076 1.8959 0.4055 0.7042 0.4695 1.0315 S-1-pyrroline-5-carboxylate 1.8336 0.1634 0.8425 1.3254 0.8613 0.8979 0.9455 0.8162 0.9075 1.5432 1.1347 0.5077 0.5362 2.7634 0.9275 1.1047 0.6953 3.5546 1.9082 1.6998 0.9747 0.9505 2.2731 1.4386 0.9986 1.1111 0.7915 0.9553 0.7436 0.8612 1.0014 0.5130 0.9786 0.8433 0.6043 0.9042 1.4213 1.6270 1.5615 2.6513 2.1667 1.8792 1.4811 1.1296 0.8978 1.1431 0.1634 1.9389 0.1634 2.0982 0.6358 0.7425 1.2211 1.2020 0.9839 0.1634 0.1634 1.2878 0.8445 1.0839 1.3440 0.1634 0.9522 0.1634 1.2490 1.6666 0.9194 0.3297 0.1634 0.1634 saccharin 188.2824 0.5910 0.3016 8.1646 3.4232 2.5765 0.3840 1.4501 0.4482 1.0000 0.4504 0.6868 12.6542 0.4429 0.5852 2.0080 0.0410 0.0973 0.4359 1.0420 0.4683 2.3373 1.6379 1.9863 0.0692 0.0410 0.0929 0.0766 0.5833 1.3131 0.1136 0.0690 0.1000 0.0410 1.6229 0.4793 3.0588 7.4113 0.0827 0.3012 0.0410 0.1102 0.3886 1.9013 9.9775 1.5619 0.4001 2.2008 1.1861 0.8198 0.0756 88.1006 0.1982 0.0451 2.4769 1.4745 0.4221 0.4656 1.4595 2.4754 0.0410 0.0410 2.9714 0.6490 7.8988 3.6305 134.5356 649.4741 3.4680 2.3495 S-adenosylhomocysteine (SAH) 0.4743 1.0368 0.7584 0.7703 0.7537 0.6498 0.3727 1.2648 0.5250 0.8788 1.0000 1.1784 0.3695 0.5974 0.6604 0.6388 0.3695 0.6836 0.7034 0.6297 0.6704 0.6226 1.4584 1.1459 0.8819 0.4358 1.5354 1.0662 1.4857 1.3769 0.4289 0.7899 0.5879 0.5462 1.4716 0.6574 0.6313 0.5274 1.1340 1.3008 1.0132 1.3617 1.0970 0.8329 1.1781 1.1356 0.6469 1.5194 1.0124 0.7072 0.4485 0.8072 1.1376 1.2820 1.4677 1.9248 1.4802 2.1173 0.6887 0.9820 1.3874 1.1358 1.2634 1.2927 1.2424 1.4873 0.9991 1.5881 1.7018 1.0353 S-adenosylmethionine (SAM) 0.5640 1.1991 0.6706 0.8820 0.5570 0.9259 1.1822 2.2862 0.5019 1.3727 1.9657 0.9010 0.6246 1.1841 0.8901 1.1741 0.2395 1.0995 0.7380 0.2864 0.9305 1.0402 1.1304 1.5321 1.0000 0.2065 0.8762 0.4926 1.0380 0.7154 0.2796 0.9712 0.6113 0.5939 1.0354 0.4749 1.6124 1.6914 0.0694 0.0694 1.4398 1.1570 1.0513 1.2121 0.9015 0.9184 0.7584 1.4943 1.0577 1.9051 0.9882 0.8867 1.0410 0.0975 1.3241 1.4280 1.3046 2.2526 0.7335 0.1850 1.3099 1.5732 1.2842 1.2307 1.3110 1.6282 0.9772 0.1376 1.1841 0.1986 salicylate 1.0000 0.1480 0.2056 0.3475 3.7811 0.3372 2.5176 2.1869 0.2442 0.7406 0.3122 0.1800 0.7157 0.4674 0.5956 0.4663 2.7510 2.5582 1.0535 2.9014 0.7818 0.1480 0.1480 1.1172 0.5880 7.6866 8.9791 4.2766 1.9317 8.3970 6.0547 4.2727 0.3237 1.2063 2.0597 0.5815 0.2623 0.2649 4.3666 1.5313 0.1480 0.5570 0.3582 2.5301 0.2749 0.4783 0.9034 1.4739 0.3256 0.8697 0.8876 2.9727 0.8269 7.3307 0.7776 1.5534 1.6255 13.5340 0.9766 1.5475 0.2734 0.3723 3.7190 1.1156 27.9591 1.8734 1.9011 0.9802 0.5521 3.2777 salicyluric glucuronide* 0.2434 1.0475 0.3936 1.0660 1.8677 0.4184 0.7863 0.8797 1.6307 3.8090 1.5761 1.1023 3.4397 1.0226 0.8799 0.6924 0.6497 1.6443 0.6125 0.4877 2.2786 1.6190 0.8683 0.9774 0.3037 0.4722 13.1345 1.3843 5.0902 2.7129 0.8853 0.9550 0.5961 0.5731 1.3950 0.8199 0.3334 0.3306 1.8132 0.7383 0.5712 0.7051 1.3062 5.4641 0.5691 0.5615 2.3977 3.4008 0.7386 2.9732 0.5155 0.7523 0.8828 0.9639 1.5983 2.8132 4.8677 34.9652 0.5716 0.7620 0.1909 0.4467 6.1876 1.3212 41.0688 2.2343 7.9513 1.0664 2.6395 1.7048 sarcosine 0.2588 0.2588 0.5182 0.2588 0.9271 0.7845 0.9172 2.1105 0.2588 0.2588 0.7071 1.1472 1.1442 1.1060 0.2588 0.2588 0.2588 0.2588 0.2588 0.6848 0.7237 0.5925 0.2588 0.2588 1.5964 0.2588 1.2274 1.3061 1.0718 1.4007 0.6033 0.9048 0.3971 0.2588 1.6920 1.4864 0.5205 0.2588 0.3380 0.2588 0.5773 0.2588 1.2985 0.7846 0.8736 1.5552 0.2588 0.2588 0.2588 0.2588 0.9604 1.5354 0.7000 1.2353 2.9080 1.8487 1.1257 1.5585 1.0000 1.5685 0.7185 0.2588 1.1821 1.2765 0.2588 0.2588 0.6276 0.4726 0.2588 0.2588 S-carboxymethyl-L-cysteine 1.7077 2.6352 0.6004 0.7837 0.6362 0.7527 0.7752 2.1576 0.5535 1.6949 1.0602 1.2293 0.7185 1.7711 1.1816 1.0579 0.7022 1.8178 0.8853 0.8064 4.2625 1.1571 1.0088 1.1070 1.0771 1.3470 0.6624 1.0600 1.3221 0.7059 0.7064 1.1151 0.6118 1.0764 2.1300 0.6217 0.9069 1.3550 0.7353 1.0757 1.0062 1.6313 0.6370 0.7190 0.7645 0.9286 2.0926 1.9766 0.5650 0.9785 1.9445 1.4147 0.7556 0.9842 0.8383 1.0530 0.8981 1.3835 0.4446 0.9502 0.8446 1.5957 1.1288 0.6753 0.7588 1.8264 0.9938 1.2119 0.5840 0.6843 scyllo-inositol 0.5259 1.4078 1.7479 1.2621 2.6354 2.1743 1.6008 4.0039 0.2604 0.6296 0.6345 2.7378 1.0047 1.2118 0.3442 0.7177 0.3385 1.0118 1.5777 1.0526 0.5323 0.6728 1.0689 1.3118 0.8968 0.9425 1.3743 1.4095 0.6881 0.5447 0.7460 1.1240 0.4984 0.8434 0.5844 0.6148 1.5117 1.8008 0.5603 0.6151 1.0582 0.9592 1.1540 1.6742 1.3949 1.6404 0.5354 0.5991 0.4921 0.7914 0.6228 0.7183 0.3821 0.6973 0.6574 0.6730 0.8577 1.4658 1.1800 1.6483 1.9840 1.8546 0.9953 0.7806 0.8989 1.1321 1.6832 2.3494 1.4178 1.4645 sebacate (C10-DC) 0.1556 0.9175 2.5198 0.8102 1.7793 1.5021 0.2334 3.6341 0.0789 0.0789 0.0789 0.0789 0.4627 0.0789 0.5411 0.3348 0.5531 1.3988 0.3083 1.1424 0.1174 0.1005 0.1498 1.6345 0.7385 0.7294 0.7006 2.6805 1.0916 0.3358 0.8087 2.1984 0.8006 2.0453 0.9533 0.7470 1.8504 1.9040 2.2924 1.9046 2.0339 2.2369 0.0789 1.4026 0.3340 1.3089 0.4909 0.3107 0.9287 0.0789 1.1935 1.3408 1.1260 2.4596 2.1665 2.1604 0.1389 0.3578 1.0223 1.2437 0.9777 1.2736 0.5568 2.1040 0.8023 1.2533 2.7034 16.4966 0.6162 0.5479 sedoheptulose 0.4265 0.9835 1.1597 0.8460 5.6582 0.8353 6.2873 1.5452 0.6993 1.4549 0.7276 3.1829 2.5403 0.7247 0.6383 0.6743 0.1637 0.5071 1.1266 0.5833 0.9868 1.0127 1.6408 1.0979 0.4417 0.3957 0.9080 1.5581 2.4760 1.4596 0.8322 0.5958 0.4817 0.3273 3.1751 0.7019 1.3176 1.7379 2.4975 1.7345 0.8925 1.3667 0.8770 1.2248 1.1428 0.8043 1.4398 1.3858 1.3529 1.0526 1.9518 0.8862 0.4573 0.6263 0.6458 1.9694 0.7401 0.9873 0.8735 0.7478 1.0928 1.5724 0.9872 0.6776 4.0052 1.5305 2.8605 3.4740 1.7388 0.7985 serine 0.7005 1.2070 1.0197 0.9291 0.7684 0.7600 0.7010 1.7986 0.5664 1.1049 0.6427 1.0091 0.6031 0.9722 0.5831 0.8240 0.7507 1.8895 0.7349 0.7294 0.5891 0.5632 1.0258 1.0845 1.0560 0.9487 0.7883 0.9888 1.2375 0.9589 0.5501 0.9909 0.6073 0.8609 1.1530 0.8100 0.8673 1.2932 1.3904 1.2483 1.2250 1.2693 1.6440 1.5228 1.0126 1.6981 1.0202 1.3230 0.8102 1.0145 1.0721 1.4221 0.7887 0.8923 1.2449 1.2806 1.2622 1.7338 0.8704 0.8307 1.3996 1.3985 1.1903 1.3403 0.7196 1.0934 0.6145 0.6238 1.0513 0.8052 serotonin 0.3984 1.3575 0.8921 0.8275 0.8537 1.0441 1.0804 1.0616 0.7476 1.1890 1.0658 0.9170 0.4228 1.3444 0.9166 0.7811 0.6589 1.6210 0.4925 0.4361 0.8470 1.0629 1.6772 0.7272 1.2526 0.6181 0.9377 0.8153 0.9412 0.8662 0.5827 0.8366 0.3970 1.1879 0.9821 0.7533 1.1460 1.4252 0.7656 1.4382 1.2499 1.9249 1.0789 2.1045 1.0445 1.1159 1.4014 2.4840 0.5734 1.2980 0.7516 1.5076 0.6090 0.7926 0.5298 1.7370 0.6487 1.2947 0.7937 0.9826 1.4653 1.8088 0.8716 1.0644 1.3600 2.0345 0.8935 1.0174 2.4633 1.3338 S-methylcysteine 0.2539 1.2924 0.9759 1.0037 0.4023 0.8169 0.2539 2.5536 0.6499 1.6123 0.6729 0.8365 0.6885 0.4885 0.4371 1.3350 0.2539 0.2539 0.7891 0.9324 1.3476 1.0594 0.2539 1.1970 0.8229 0.2539 0.2539 0.8812 0.6276 0.9963 0.2539 0.7028 0.8494 0.2539 0.7955 1.5385 0.6421 2.4051 6.5108 1.6281 0.3355 2.4753 1.1170 2.9533 0.9851 1.8886 0.8503 1.4172 0.2539 0.8007 0.2539 2.0009 0.2539 0.2539 0.9027 1.6990 0.2539 1.7859 0.9010 1.3990 2.1152 1.9739 1.8682 1.3397 0.2539 1.8275 0.6076 0.2539 0.2539 1.3288 S-methylcysteine sulfoxide 0.3341 1.2319 0.6131 0.8265 0.3845 0.5793 0.3622 3.0585 0.7305 1.0283 0.4478 0.3740 0.9717 1.0884 0.5905 0.8027 1.1341 1.7649 1.3789 0.6785 1.4096 0.7529 1.2151 1.3150 0.9318 1.9265 0.1460 1.0479 0.5806 1.3918 0.2273 0.8041 0.8552 1.2922 1.0912 0.9607 0.6432 1.9372 10.2203 2.7092 0.5869 3.2632 0.4790 2.0757 1.1927 2.0817 2.1649 1.0430 0.4146 0.6095 0.3667 2.4952 0.2439 0.3132 1.1506 1.7138 0.7041 2.5396 1.3835 1.2013 2.0715 1.2674 2.0198 1.1089 0.2704 1.3578 0.8355 0.3979 0.2673 0.9525 S-methylmethionine 0.2026 2.9935 4.2675 1.2107 0.7479 0.2026 1.1155 0.4337 0.2026 0.7726 0.2026 0.2026 0.2026 0.2026 1.6673 0.4857 0.9389 0.2026 4.3499 0.2026 2.5382 1.3235 0.2026 0.5445 0.2026 1.3473 0.2026 8.7930 0.6361 1.1593 0.5753 0.7679 0.2026 0.2026 3.6093 0.7766 0.2026 0.2026 6.5546 0.2026 0.2026 0.5613 0.2026 0.4583 1.1941 0.6904 0.2026 0.2026 0.2026 0.2026 0.2898 0.3953 0.2026 0.2026 0.8937 0.7587 1.3437 1.0000 0.6592 0.2026 9.0766 1.5052 1.7503 0.2026 0.2026 0.2026 0.2026 0.2026 2.0819 0.2026 spermidine 0.0924 0.0924 0.9425 0.8155 0.9333 1.2856 1.0291 2.3803 0.2604 1.2692 1.2114 0.3954 0.0924 0.4095 0.0924 0.4152 0.0924 3.8107 0.3582 0.7167 0.4207 1.2934 0.0924 0.5547 0.5266 2.4650 0.5933 1.4801 1.3347 0.7105 0.4163 0.4078 0.0924 0.0924 1.4927 1.4119 1.5851 1.6570 1.0000 0.6657 0.8106 2.0544 1.4162 2.1204 1.0483 1.1490 1.2292 1.1783 0.8563 2.6526 0.6898 1.1147 1.5120 0.8361 1.1387 1.7977 0.9987 1.6072 0.4566 0.8008 1.8045 1.4065 0.8365 1.9318 0.4204 0.9478 0.3279 0.8940 1.9549 0.7541 stachydrine 0.2628 0.2110 3.6018 1.5609 0.1388 0.9512 0.9302 2.3869 0.0993 0.6749 0.8922 0.8307 1.0688 1.5612 0.1188 0.8746 0.6156 1.9779 0.2152 0.7691 0.1564 0.7417 0.5693 1.4479 1.3804 1.4340 4.3443 2.6935 1.1330 1.2187 0.5311 2.1366 0.3161 3.3400 0.2662 0.7751 0.7292 1.5321 0.2827 1.4275 2.3329 1.2036 0.6946 1.6770 0.3833 1.0488 0.0939 0.2742 0.1738 1.0520 0.2939 0.8254 1.3655 2.8066 0.8785 0.7781 1.8168 1.6512 1.3394 0.8766 6.2340 5.6559 2.7331 1.2595 1.7044 1.5600 0.8615 0.6918 4.0853 1.8857 suberate (C8-DC) 0.4234 2.0392 3.0930 2.4900 1.4450 1.8103 0.7276 2.6137 0.7238 1.5540 0.4831 0.9013 1.6505 0.5648 0.9922 0.9641 0.2890 0.8030 0.8788 0.6525 0.9343 0.6085 1.0184 1.1533 0.7327 0.3059 0.7453 0.8727 1.2535 0.5341 0.4758 2.5936 0.8058 0.7900 3.6393 1.0078 2.2260 2.8248 0.8504 0.6431 1.6851 1.4345 1.2788 1.4291 0.8408 1.0429 0.4596 0.6902 3.3165 1.0849 0.6652 0.8731 1.0582 0.9178 1.6511 1.4678 0.2917 0.4604 0.5050 0.7459 1.9847 1.6632 1.9766 1.3880 2.8626 1.6052 2.1068 5.1469 1.2369 0.4996 suberoylcarnitine (C8-DC) 0.4882 2.3838 3.3779 2.4404 0.5749 1.2240 0.3362 3.0243 0.8613 1.0227 1.1992 2.3775 0.6001 0.7753 0.8879 0.5342 0.3255 1.1962 1.5078 0.6670 0.5060 0.9855 1.8669 1.4766 1.2291 0.5675 0.8724 0.7441 0.9290 0.4055 0.3655 0.9637 0.9058 1.7015 2.8453 0.7173 1.7984 1.8111 0.5836 0.8134 1.0145 1.5133 1.6849 2.0654 0.6770 1.3289 0.3329 0.5140 4.7067 1.5309 0.8258 1.2529 0.9662 0.4682 0.7340 1.7466 0.3703 0.4703 0.3577 0.4030 1.6477 2.8013 1.9754 1.8596 1.3795 1.4058 2.4388 2.6545 2.1621 0.5424 suberylglycine 0.4213 2.1639 1.7602 1.6991 0.8755 4.8283 0.5673 3.1568 1.0421 1.6011 1.0158 2.0251 0.2060 0.4837 0.6088 0.8262 0.4059 2.8475 0.9051 0.8269 0.5238 0.7395 0.5693 0.8806 0.8506 0.1829 0.9526 0.6648 1.0866 0.8742 0.6291 0.9842 0.9796 2.1905 2.8202 1.8188 1.0724 1.6598 1.3361 1.5205 0.6344 2.5305 0.7521 1.8512 0.9235 2.3114 0.5196 0.4361 2.1331 1.3517 0.3657 0.4613 0.6285 1.1628 0.3751 1.4836 0.7187 1.1431 1.3607 0.8954 1.8536 2.2450 1.0596 1.5367 1.3060 0.8848 6.5617 5.6583 1.5971 0.8539 succinate 0.4633 0.3886 0.4674 0.4109 3.4231 0.8659 0.3387 1.1223 0.4838 0.8857 0.5765 1.0403 0.5267 0.8855 0.4099 0.6672 0.3070 0.4923 0.4380 1.7100 0.4209 2.8768 1.7197 1.6331 0.9911 2.6311 0.5908 1.7335 0.6435 1.3906 1.1942 1.4516 0.3110 0.6775 0.9703 0.7649 1.5055 1.3201 1.4023 2.0401 1.3375 1.5762 0.8135 1.5377 0.8022 0.9798 1.3926 1.1269 0.7379 0.8754 1.0089 1.2546 0.8507 1.1610 0.3796 1.0332 0.7086 0.8813 0.5334 0.8363 1.2569 1.4409 1.0274 1.1098 1.1444 1.2532 1.1924 2.0700 1.2815 1.3835 succinimide 0.5677 1.3234 0.6949 0.6366 0.7415 0.8069 0.6395 1.0725 0.4821 2.5498 0.2370 0.2515 0.8056 0.5913 0.5797 1.1392 0.2370 1.0837 2.4266 1.0000 0.8116 1.8853 1.8606 1.6670 0.3460 0.8876 0.4711 0.9740 2.4748 1.2873 0.5873 1.2291 1.0966 0.7094 1.1927 2.3065 2.1098 2.3130 2.0064 1.6212 2.1160 1.5764 0.9011 1.8281 0.7214 0.9708 1.0642 0.8588 0.7331 0.8192 1.3846 1.5477 1.6021 1.6912 2.1901 0.8040 0.7772 0.9947 1.0824 1.7627 1.0684 0.9031 1.2685 1.4668 0.6005 0.7022 0.9409 0.9536 0.4799 1.6813 succinylcarnitine (C4-DC) 0.7785 1.0696 0.2411 0.6150 0.8100 0.6343 0.8741 1.1430 0.1863 0.9375 1.2193 0.6170 0.7665 1.5051 0.6512 1.0126 0.4481 1.1092 0.4452 0.7312 0.7539 0.6265 1.3769 1.0113 0.8613 0.7200 0.8762 1.3074 0.8135 0.9887 0.7694 1.0219 0.6311 1.1212 1.0916 0.7238 1.1912 1.2537 1.0585 1.6040 1.0963 1.7136 0.7286 2.2071 0.6591 0.4796 1.5956 1.6797 1.1266 1.1486 1.2633 1.7760 1.2407 0.9281 0.7469 1.8797 1.1268 1.4093 0.5099 0.7368 1.2288 0.9864 0.7603 0.8502 2.0144 1.5579 0.6322 1.4457 1.5316 1.8703 succinylglutamine 0.8045 1.8849 1.1263 1.3840 0.6874 1.0591 0.8844 2.8129 0.6653 1.3286 0.9105 1.6528 0.5109 1.2408 0.6532 1.0354 0.6452 1.3130 0.7686 0.6448 0.5607 0.6710 1.6697 1.3286 1.1374 0.8521 0.6428 0.7422 0.8394 0.5554 0.4789 0.7111 0.6264 1.1292 1.5170 0.8386 1.5868 2.1169 0.8585 1.4373 1.3706 1.2076 1.6460 2.2818 0.7942 0.7387 0.8973 1.2696 2.1338 0.9694 0.4466 1.1516 0.9284 0.5305 0.4435 1.0306 0.8112 0.6444 0.5986 0.5548 1.6302 1.4319 0.7845 1.3658 1.6506 2.0628 1.4045 1.4748 3.2330 1.7193 sucralose 1.0920 0.5883 1.2851 0.9422 0.8105 0.0624 1.2322 0.0624 4.9139 0.0624 0.6897 0.1154 0.8888 0.0624 6.3755 0.0841 0.0624 0.0624 0.0624 0.0624 0.0624 3.3718 0.8600 2.5362 1.4024 0.0624 0.7534 0.0624 0.0624 0.0624 0.3293 0.8817 0.0624 0.0624 0.5001 0.0624 0.0624 0.2780 0.0624 0.0624 0.0624 0.0624 0.0624 0.0624 0.3721 0.0895 0.0624 0.0624 0.0624 0.0624 1.1535 0.2011 12.2558 6.3666 1.1849 0.1537 7.1170 0.0624 1.0578 0.0624 0.0624 1.1156 0.0624 2.0378 7.9633 0.1649 20.1101 170.8919 0.0624 0.0624 sucrose 0.2406 0.6477 0.7362 0.8216 16.7441 0.8529 0.2705 0.1726 0.6237 1.2183 1.8858 5.8889 0.3845 0.3466 1.0488 2.1910 0.4488 1.2357 0.9451 0.6256 2.6063 1.5460 2.2008 0.6563 0.4736 0.9797 0.2581 0.9816 2.1007 0.7595 0.9147 1.8619 0.8125 1.1873 25.0596 0.7672 0.8677 1.0703 1.0456 1.2546 1.6444 0.9230 1.2436 4.4865 1.1579 0.2406 6.2370 2.6829 0.3442 2.8685 4.9761 0.4089 1.4056 0.7500 12.9205 0.7255 0.8354 0.4721 0.1198 1.0184 2.9498 2.1451 2.6219 0.6353 6.5445 1.5462 0.3507 3.2020 3.0298 0.6267 sulfate of piperine metabolite C15H17NO3 (1)* 0.3264 0.1825 0.8857 0.2758 0.0468 1.0000 2.7757 2.2174 0.8567 3.1038 0.4948 1.7562 0.2959 1.4778 0.8007 1.0322 0.7205 1.7365 0.5355 1.1259 2.3637 2.1549 1.4833 1.3122 0.2226 1.2881 1.3005 0.3705 0.3038 0.4880 0.3799 1.2753 0.1589 0.5235 4.7554 1.1313 0.1956 3.8532 0.8400 2.2929 0.4872 2.3964 0.1219 1.7238 0.6158 1.6838 2.2198 2.7237 1.8793 1.6023 1.2986 0.8500 0.3747 0.2367 1.9126 0.8856 1.1900 2.3566 0.6525 0.9616 0.2197 2.7620 0.9909 1.6846 0.1125 1.9225 0.5653 0.3503 0.0468 1.4087 sulfate of piperine metabolite C15H17NO3 (2)* 0.3076 0.1995 1.1106 0.3089 0.0768 0.7669 2.6665 2.6492 1.1777 2.9082 0.5639 2.0612 0.2489 1.2598 0.8621 1.2841 0.6523 1.5440 0.6136 1.0813 1.9604 1.6416 1.4996 1.4413 0.2462 1.2300 1.4424 0.4779 0.3413 0.6083 0.5167 1.7330 0.2249 0.5974 5.0838 1.1807 0.2224 4.1312 1.3814 3.1457 0.2411 2.3288 0.0793 2.2149 0.7085 0.9911 1.7951 1.8518 1.2092 0.8449 1.0000 2.0783 0.5480 0.4492 1.0775 1.7445 0.4662 0.8597 0.9647 1.6287 0.3109 2.8450 0.6092 0.9129 0.0808 1.6243 0.4360 0.5232 0.0768 1.9642 sulfate of piperine metabolite C16H17NO3 (1)* 0.2131 0.4592 1.0086 0.2530 0.0254 0.5908 1.0233 1.5868 0.5121 0.9755 0.2872 0.3221 1.4958 1.0424 0.9974 1.1301 1.1248 1.1682 1.2238 0.7768 1.2925 1.3256 0.7041 1.1335 0.2950 0.6265 1.8291 0.7362 0.6635 1.2963 0.8722 0.8627 0.2497 0.2498 2.6831 0.7314 1.0026 1.2406 2.1944 1.3267 0.5254 0.5478 0.2197 0.8379 0.7501 1.1217 2.9534 1.3885 0.2226 0.2526 1.9575 1.7370 1.1454 1.3369 4.1095 1.1804 0.4596 4.1575 1.8323 1.4168 0.4275 1.9317 1.1927 3.3219 0.0322 0.3412 0.7820 0.8856 0.4714 2.0412 sulfate of piperine metabolite C16H19NO3 (1)* 0.2231 0.3185 0.8570 0.2954 0.2231 0.6821 1.1959 0.9442 0.6426 2.1056 0.6941 1.0274 0.6517 0.8010 0.6340 0.6763 1.0087 1.7443 0.7131 0.7552 1.4730 1.6971 1.0485 0.8332 0.3397 1.1279 1.6085 0.8289 0.3639 1.2219 0.7794 1.0721 0.2231 0.3332 2.9086 0.8153 0.5316 2.7323 2.0495 2.0427 0.7739 1.6293 0.3319 1.2176 0.6028 0.9737 1.8708 1.7947 1.4262 1.0035 1.3323 1.2205 0.6318 0.6327 3.6453 0.9849 2.2198 3.2351 1.5692 1.6095 0.3898 2.7880 0.9965 1.6311 0.3303 1.1357 0.9767 1.3094 0.5336 1.5415 sulfate of piperine metabolite C16H19NO3 (2)* 0.2885 0.4691 1.0457 0.3454 0.0331 0.7210 1.7744 1.6244 0.7555 1.7566 0.5960 1.0079 0.7580 0.8556 0.8098 0.8831 1.2731 1.9496 0.9509 0.6539 1.6076 1.7674 1.0142 0.9486 0.4487 1.1080 1.9373 0.7395 0.5631 0.9274 0.7759 1.0999 0.2596 0.4461 3.1742 0.8465 0.7256 2.4644 1.4080 1.7077 0.9654 1.9498 0.3598 1.3110 0.6548 0.9921 2.0877 2.0605 1.5039 1.0867 1.5046 1.0149 0.5266 0.4603 2.5170 1.0516 1.6117 2.0885 0.8871 0.8810 0.5224 2.2349 1.2367 1.8334 0.4875 1.2293 0.8461 1.1870 0.7776 1.8120 sulfate of piperine metabolite C16H19NO3 (3)* 0.2428 0.3999 1.0575 0.2985 0.0546 0.5827 1.7094 1.8708 0.8770 1.4555 0.5651 0.8389 0.5840 0.6656 0.7181 0.8934 1.3407 1.7043 0.8777 1.1516 1.3908 1.4242 0.8861 1.0830 0.4639 1.2509 1.5799 1.0445 0.5056 1.6687 1.3208 1.4145 0.2720 0.3999 2.7197 0.7103 0.7556 1.8173 2.5265 2.7645 0.5448 1.1923 0.2497 1.3472 0.7327 0.7322 2.2124 1.1496 0.8424 0.5693 1.0353 2.1291 0.6638 0.9647 2.8462 1.8395 0.9410 1.2711 1.2958 1.7830 0.5154 1.5176 0.7304 1.1217 0.2886 0.7669 0.8514 1.8927 0.7849 2.2181 sulfate of piperine metabolite C16H19NO4 (1)* 0.1386 0.1386 0.9161 0.1529 0.1386 0.3027 1.1407 1.3544 0.8799 1.0000 0.2510 0.3268 0.1386 0.6411 0.7570 0.9352 2.6935 1.7373 0.7589 1.8076 1.0259 1.1592 1.0857 0.7674 0.2884 2.7506 1.3474 1.7420 0.1386 3.8542 1.9616 0.8257 0.2011 0.4806 1.5436 0.4757 0.5931 1.8852 21.6571 18.3769 0.1386 1.6870 0.1386 1.4539 0.6140 0.3495 1.8651 1.1697 0.8324 0.4142 0.8696 4.4370 0.9005 8.3332 1.2411 2.7686 0.5592 1.1103 0.9678 13.0670 0.2927 1.2744 0.3708 0.8331 0.1386 0.9578 0.1386 0.1386 1.2738 20.8910 sulfate of piperine metabolite C16H19NO4 (2)* 0.2762 0.4019 1.2582 0.2151 0.0092 0.7301 1.3129 1.6460 0.9430 2.8741 0.6441 1.0376 0.7677 1.1019 0.6997 0.7877 0.6739 1.5322 1.1667 0.7150 2.4500 3.1034 1.1369 1.1103 0.2359 0.9668 3.1754 0.6887 0.4296 1.1436 0.8052 0.8889 0.1853 0.4046 3.7189 0.9805 0.6308 4.3125 1.2528 1.3511 1.1768 1.9704 0.1937 0.9741 0.8289 1.5324 3.5515 3.1261 2.3911 1.7985 2.4577 0.9494 0.6094 0.3559 2.2708 0.7240 2.1929 1.9108 1.2274 0.7105 0.2645 3.2971 1.2995 3.1439 0.3032 1.3633 0.8885 0.4447 0.7196 1.0195 sulfate of piperine metabolite C16H19NO4 (3)* 0.2398 0.3859 1.2227 0.2478 0.1404 0.7558 1.8266 1.6816 1.1797 2.3885 0.5459 1.1128 0.5113 0.9431 0.8996 1.0023 0.4997 1.6955 1.1175 0.3446 2.0251 2.4793 1.0474 0.8759 0.3273 0.3993 2.8010 0.3683 0.4848 0.7656 0.3672 0.9733 0.2382 0.3409 4.4229 0.9873 0.6010 3.4312 1.3384 1.3873 0.6834 2.3929 0.1870 1.4514 0.9977 0.9154 2.8294 2.0468 1.5989 1.3346 1.7545 1.2757 0.7250 0.4713 1.5948 1.2332 1.1157 2.1993 0.9964 1.1406 0.3779 2.2177 1.0725 0.1404 0.1890 1.4015 0.3764 0.1404 0.9706 1.3975 sulfate of piperine metabolite C16H19NO4 (4)* 0.2143 0.3745 1.3666 0.2021 0.0352 0.6150 1.1687 1.7365 1.3093 2.4468 0.5909 0.9560 0.5529 0.8416 0.7878 0.8805 0.9242 1.5589 0.9575 1.0616 1.7789 2.2206 0.8758 1.0742 0.3217 1.0001 2.6062 0.9785 0.4144 1.8571 1.1707 1.2685 0.2375 0.3307 3.9299 0.9664 0.6338 2.9236 2.8131 2.7064 0.4640 1.7433 0.0972 1.2320 0.7601 0.7126 2.4636 1.9276 1.2949 0.7204 1.3337 2.1851 0.6984 0.9458 1.0347 1.1929 0.9959 1.2945 1.2626 1.8498 0.2906 1.6888 0.5912 1.0098 0.1837 0.8799 0.9999 1.1046 0.8686 2.0003 sulfate of piperine metabolite C18H21NO3 (1)* 0.3879 0.6745 0.7043 0.2747 0.0747 0.5538 1.5752 1.7047 0.6577 1.5308 0.3870 0.5279 0.4531 1.0505 0.7346 1.3723 2.2444 2.9906 0.7780 1.1846 0.7301 1.0289 0.8584 1.0465 0.1680 0.9711 1.5403 2.4969 0.4419 1.7340 1.5490 1.0451 0.3232 0.5143 1.9239 0.7273 1.1476 1.8524 1.5281 1.5780 0.5689 1.3612 0.2353 0.8728 0.5271 0.8739 1.7504 2.0119 1.1010 0.9269 1.4154 2.2165 0.6172 1.0797 1.2514 1.1052 0.9680 1.8068 0.7914 1.2875 0.2748 1.4183 1.5581 1.8299 0.2240 0.6979 0.5101 0.4430 0.8477 1.5146 sulfate of piperine metabolite C18H21NO3 (2)* 0.2303 0.6663 0.9047 0.3877 0.2146 0.5456 2.1673 2.2793 0.9459 2.0620 0.5474 0.7944 0.5614 1.0558 0.8716 1.5167 0.2146 3.1291 0.8340 0.2146 1.0053 0.9947 0.8810 0.9838 0.2146 0.2146 2.3456 0.2146 0.7062 0.2146 0.2146 1.1453 0.2146 0.3665 3.2717 0.8950 1.3308 2.3124 0.6655 0.8200 0.7700 1.8928 0.5209 1.2056 0.6649 1.0510 1.7776 2.3968 1.2891 1.1356 1.8278 1.7223 0.7897 0.5386 1.4854 1.3962 1.2549 2.2833 0.9467 0.6422 0.5044 2.1787 2.4600 2.8730 0.3554 1.0884 0.8961 0.2773 1.2795 1.0465 sulfate of piperine metabolite C18H21NO3 (3)* 0.2637 0.5863 1.0244 0.3357 0.0832 0.6170 1.7381 2.0103 0.9203 1.7967 0.4808 0.8015 0.5745 0.8605 0.8367 1.5626 1.4599 2.3124 0.7821 1.2864 0.8861 1.1177 0.8117 1.1303 0.2005 0.6404 2.2854 1.7600 0.6495 1.7832 1.4567 1.4458 0.3742 0.4620 3.1036 0.9756 1.2864 1.8790 1.8347 1.5454 0.6590 1.4427 0.2797 0.8081 0.7331 1.2069 1.3907 1.6675 0.9472 0.7452 1.3729 2.4762 0.7762 1.3129 1.5195 1.1032 0.9426 2.1209 0.9060 1.5076 0.3352 1.6358 1.6937 1.9244 0.2215 0.6815 0.6232 0.5655 0.7319 1.3583 sulfate* 1.6470 1.4875 0.9014 0.9658 0.1277 0.5627 1.1472 1.2597 0.3737 1.1443 1.1648 0.5460 0.3466 1.3711 1.8909 1.0719 0.9992 1.4201 1.2504 0.1945 0.7480 1.1287 1.9757 1.2139 1.0176 1.0898 0.2286 1.1378 0.9089 0.6874 0.0811 0.5099 0.8332 1.3957 1.1583 0.4114 0.8595 0.9274 0.9082 1.1667 0.9297 1.5015 0.9289 1.3720 0.6158 0.6548 1.5712 1.4757 1.4874 1.0600 0.9765 0.8739 1.1817 0.7137 0.8703 1.0385 1.0173 0.9614 0.5994 0.4244 1.2460 1.1761 0.8874 0.7596 1.7374 1.0369 0.8924 0.5978 1.9739 1.0008 sulforaphane-N-acetyl-cysteine 0.1013 0.1013 3.5612 0.1111 0.1013 0.3314 0.1013 0.1013 19.1670 0.9885 9.3758 0.1013 2.3014 1.0115 15.5130 0.6449 0.1013 0.1013 11.7348 0.1013 0.2177 0.2493 0.2993 0.6123 0.1013 0.1013 0.1013 0.1013 0.1013 0.1013 0.1013 1.8651 0.1013 0.1013 0.6577 0.2844 0.1013 1.0919 0.1013 0.1013 3.2644 0.8218 0.1013 2.0044 8.7597 1.9362 0.1013 0.6152 0.1013 0.1013 0.1013 0.1013 0.1013 0.1013 0.1013 25.0104 0.1013 0.3088 0.1013 0.1013 3.4976 0.3803 1.0187 0.7834 0.1013 1.0434 0.1013 0.1013 0.2137 0.1013 symmetric dimethylarginine (SDMA) 0.4949 1.1863 1.6921 1.4643 1.6724 1.4611 0.8890 1.2267 0.4961 1.1120 1.3081 4.0379 0.5887 0.9227 0.5597 0.7338 0.3935 0.9109 0.7203 0.6451 0.6245 0.6169 0.9534 1.0390 1.1602 0.6326 0.8168 1.1884 0.8882 0.9852 0.5942 0.7657 0.3960 0.6426 1.1415 0.7892 1.3387 1.2744 0.8764 1.0243 0.9919 0.9358 1.0851 1.1962 1.1880 1.2258 0.9268 1.3182 1.0081 1.1329 0.6605 1.1075 1.0245 0.8897 1.0856 1.2808 0.8725 1.4782 0.6037 1.1525 0.9580 1.1559 1.0533 1.2751 0.8983 1.4448 0.9456 1.2595 1.4821 0.8169 syringic acid 0.1392 2.5579 0.3757 1.2312 0.4882 0.4037 1.4553 0.1392 0.2546 2.3502 0.1392 0.4411 1.7946 0.1392 0.5327 1.5406 0.1392 0.1392 0.4200 1.5496 0.2459 0.6829 0.1392 0.1392 0.1991 0.5049 0.7067 1.2061 0.1392 0.1392 0.1708 1.3012 1.1317 3.2343 1.8103 2.5451 1.0047 1.7478 1.7196 4.8573 1.6711 0.1392 0.3898 0.6961 0.1900 0.2772 0.7142 6.7115 0.6517 2.7839 1.2713 0.9953 0.6827 0.1392 0.7105 0.4076 0.1867 7.5829 0.1392 1.5720 0.7193 0.4655 0.3594 4.2282 2.3358 1.3503 1.3180 1.0385 0.5166 6.2712 syringol sulfate 0.4646 1.1335 1.0322 2.0556 0.4252 0.6487 2.0419 2.3309 1.3297 2.2344 0.7295 0.2779 1.4480 0.3892 2.0273 3.1563 0.5318 1.4274 0.7082 0.8762 0.6328 0.8464 0.6024 0.9807 0.5576 0.4317 0.9327 1.7460 2.6385 1.8146 1.1799 0.6864 0.6651 0.1888 4.0087 1.7079 0.9735 0.4523 0.4756 0.2707 14.9202 6.6595 4.0577 1.5504 0.9606 0.9074 0.8764 1.1411 1.9660 1.4031 1.1304 0.7576 1.0347 0.3319 6.4137 2.4076 0.7546 0.5555 0.4512 1.2965 2.8527 0.7836 1.0091 0.9909 0.3878 0.5755 4.1768 2.5948 3.0320 2.5126 tartarate 0.2176 0.2029 1.8468 1.9627 331.9426 1.2175 395.8471 0.7397 0.1150 1.1549 14.4171 242.3827 27.0803 7.2044 10.1564 0.8457 0.0733 0.0733 2.1844 2.2506 0.1716 0.5240 0.8934 0.7121 0.7309 0.1133 0.4830 16.9048 0.2016 0.2262 6.6002 0.8227 0.1482 0.3875 21.8663 0.8469 67.6598 2.4799 0.6570 0.5761 36.0844 1.4823 0.4122 0.6712 0.2724 0.5367 1.8078 1.0000 0.5691 1.5560 20.7928 0.9969 0.3157 1.2055 0.8930 5.1911 21.2588 0.5220 9.3303 1.4517 0.5639 1.1305 0.8176 1.0213 199.1535 1.8374 28.8112 10.6884 0.8765 0.6574 tartronate (hydroxymalonate) 0.0986 0.0986 4.1617 4.8616 7.2476 1.9206 1.5192 0.5894 0.0986 0.4261 1.2228 8.0831 0.2189 0.5018 0.2909 0.9516 0.0986 0.0986 0.1882 1.7159 0.2863 1.4127 0.0986 0.5545 1.8899 0.0986 0.6101 0.6448 0.2535 0.2566 0.9691 0.6324 0.1771 0.0986 0.5680 1.1178 2.2537 2.0950 1.4461 0.6591 0.5798 1.0350 0.3811 0.6265 0.4288 0.8658 0.9971 1.3363 0.5412 1.2216 0.6858 1.0029 0.5618 1.0068 1.4092 1.8797 1.1488 1.2978 0.5548 1.7068 1.0265 2.2668 0.6795 1.3494 1.2684 1.2230 1.7291 3.3890 0.0986 0.4619 taurine 1.9631 0.5252 2.8534 1.1334 0.1951 0.1675 0.5223 0.6972 1.1550 0.6501 1.0010 1.6394 0.1894 0.6338 0.3908 0.3907 0.2739 0.9633 1.0568 1.8463 1.2055 0.9694 0.7699 1.7958 2.5089 5.1599 0.5936 0.5156 0.3532 0.6361 2.1585 3.2777 0.9536 1.7469 1.3362 0.6579 0.2307 0.3596 0.8166 0.9990 0.4680 2.1093 0.4779 1.5309 0.6060 0.4284 0.2695 0.4035 0.6117 1.2477 1.8256 2.5691 1.6058 1.4223 0.5302 1.2480 0.6226 1.0645 1.8136 2.0025 1.9309 1.0566 1.0573 1.0267 1.6035 1.3676 5.6213 8.4575 0.8400 0.5400 tauro-beta-muricholate 0.1923 0.1923 0.1923 0.3152 1.1369 0.1923 0.7266 0.6303 1.8363 0.8587 0.2030 0.6056 1.3669 0.9759 1.1998 5.6121 0.1923 0.1923 0.2403 0.2244 0.1923 0.1923 1.5472 2.3754 1.0000 0.1923 0.5423 1.1311 0.6980 0.1923 0.1923 1.4972 0.6626 0.1923 1.0483 0.1923 1.2255 7.7253 0.7254 0.8459 2.1057 1.9845 0.6716 0.2484 0.1923 0.2680 1.6715 6.5542 2.6270 1.1511 2.4780 1.3893 0.5078 0.2260 2.3005 3.3873 0.6444 3.1800 0.2444 1.9618 0.9028 1.0042 0.5708 0.3350 2.1450 1.9052 0.3524 0.4798 0.1923 0.1923 taurochenodeoxycholic acid 3-sulfate 0.1179 0.4592 1.6656 2.9231 0.6971 0.3221 0.7300 1.0773 10.1863 11.0845 0.7980 1.7612 1.1935 1.0505 0.6107 2.6937 0.1179 0.1179 0.1710 0.3080 0.2008 0.1179 1.7200 1.6525 3.8956 1.8978 1.3784 1.5818 0.6625 0.4628 0.5414 0.7293 0.6943 0.8218 0.8335 0.3494 2.9158 3.5874 0.1951 0.3683 0.8000 0.7950 0.7506 0.7408 0.1179 0.2170 0.1756 1.2236 2.0668 2.7116 1.0112 0.9888 0.3535 0.1578 0.9838 1.4536 0.3421 0.9443 0.5840 1.9608 2.4983 2.2018 2.0459 2.4942 2.4992 2.7575 1.2982 1.6169 1.5010 1.6321 taurocholenate sulfate* 0.4463 1.0465 1.4227 2.0567 0.6239 0.5565 1.1571 3.8571 1.6547 2.6481 0.5704 2.0194 1.1660 1.9528 0.6721 1.6461 0.2959 1.4574 0.5514 0.7706 0.0206 0.0286 0.8912 1.4834 0.9962 1.7515 0.8183 1.1371 0.6269 0.8803 0.5248 0.8428 0.1738 0.5782 0.5176 0.3764 3.0560 3.4735 0.9731 1.1828 0.5907 0.9309 0.6451 1.5100 0.2456 0.5775 1.0038 2.2230 1.1485 1.1017 0.7061 2.0035 0.4081 0.2315 0.6429 1.6165 0.6878 1.3664 0.8822 1.7419 1.5750 1.5413 0.5998 1.7878 2.4059 2.3286 0.8729 2.1594 1.5702 1.1835 taurodeoxycholic acid 3-sulfate 0.6021 0.9468 0.4562 0.7164 0.9526 0.8626 0.8189 1.0697 5.0702 1.4510 1.1094 2.6845 1.9305 2.6992 1.7646 3.9288 0.0554 0.6205 0.4107 0.5085 0.0554 0.0554 0.2655 0.2465 1.5130 0.4799 1.2885 1.4466 1.1601 0.5355 0.4195 1.2805 0.8290 0.9959 0.6188 0.1732 7.8565 12.0988 0.4610 0.7143 1.7156 1.6203 0.4746 0.7627 0.5942 1.0265 2.8939 9.0481 5.2529 4.7054 1.2698 0.8654 0.3774 0.0595 1.8048 2.1023 0.6020 1.6489 0.7127 2.3814 0.7350 0.9823 0.2193 0.1939 8.8533 7.7078 1.0828 2.7977 1.6394 1.0041 taurolithocholate 3-sulfate 0.6604 1.4571 0.2615 1.9674 1.4940 0.5427 0.7169 1.9905 0.3633 0.8886 0.8089 3.3689 3.2102 4.0446 1.1981 2.2301 0.2737 0.5427 1.1586 0.8968 0.1107 0.2127 1.3537 1.8623 1.0090 0.9725 0.6674 1.4362 1.2712 0.8394 0.7794 3.1726 0.2493 0.7894 0.6024 0.3645 3.5580 5.4921 1.3244 0.8188 1.6367 2.4024 0.5495 0.8080 0.2458 0.8954 1.1985 2.2399 1.8135 0.3618 0.9910 1.4020 0.1800 0.1253 1.1931 2.4281 0.2614 0.7521 0.5432 2.5348 1.0134 1.6288 0.4005 0.7969 1.7487 2.4907 0.9707 1.6784 1.1032 1.7942 tetrahydrocortisol sulfate (1) 0.1294 0.6982 2.3722 1.9212 0.7346 0.2377 0.9906 6.9422 0.3140 1.0276 1.6556 1.1307 0.1776 0.8725 0.3425 2.2107 0.0757 0.5680 1.3196 0.7201 0.1667 0.2805 1.9280 2.2030 1.1005 0.3563 0.5146 0.5518 0.5191 0.6701 0.8484 1.0125 0.8901 0.7278 0.0757 0.9412 1.5491 1.6396 1.4679 2.7627 1.1060 0.5527 2.1177 2.2341 0.7024 1.1358 0.2499 0.0757 1.6998 0.4340 1.6153 2.3242 0.6332 0.5761 1.0094 2.7218 0.2194 1.7795 1.7216 1.9824 2.2423 0.2534 0.4826 4.1841 0.0775 1.5151 0.5032 3.4211 1.8549 1.1780 theobromine 13.6908 0.2018 0.9373 0.0430 3.7636 0.0056 0.3412 0.0056 0.3971 0.0211 1.7398 0.3844 0.5019 0.0068 5.4326 0.0416 7.7963 0.1324 1.4411 0.0056 1.4638 1.9144 30.6148 0.0056 1.4275 1.3666 0.1802 0.0056 0.1049 0.2210 2.2200 0.0056 0.3459 0.0056 0.7164 0.0056 4.7079 0.1999 1.3798 0.0056 0.8941 0.0056 1.7392 2.3024 7.8460 0.0056 19.2284 0.0194 14.1739 0.2979 1.1109 0.5996 0.4015 0.1128 3.3799 0.0056 2.6769 0.0424 0.0760 0.0056 2.6440 0.5485 2.3716 0.0056 1.0627 5.0908 0.6850 1.4413 2.7451 0.0056 theophylline 4.0025 0.2672 0.0251 0.0251 0.7925 0.0251 0.8170 0.0251 0.0251 0.1045 1.1156 2.1341 5.7675 0.0251 5.3942 0.0251 6.2810 0.0251 0.0251 0.0251 0.3343 0.0251 9.9996 0.0251 3.4020 2.0577 0.7403 0.0251 0.0251 0.0251 0.7422 0.0251 0.0251 0.0251 0.6419 0.0251 2.6282 0.5258 0.1270 0.0251 3.0979 0.0251 1.7179 8.6825 1.0751 0.0378 6.5422 0.0251 10.1605 0.9520 4.3479 2.2051 0.4593 0.0251 1.0480 0.0251 0.7571 0.1253 0.3922 0.0251 0.2190 0.0951 0.1484 0.0251 0.4551 0.7490 2.7340 5.2110 13.9268 0.0251 thiamin (Vitamin B1) 0.3338 0.4071 0.0300 0.2349 0.6216 1.5202 0.1551 0.2201 0.3771 1.2461 1.0361 2.1953 0.3693 0.7994 1.6112 1.3083 0.0699 0.3099 1.1797 0.0508 2.6767 2.3648 2.0696 1.1580 1.0513 0.0300 1.2520 0.7806 1.1124 0.4160 0.0308 2.8641 0.7705 0.8929 3.0231 1.6280 0.3946 1.0182 0.0300 0.0300 0.7914 1.3561 0.7935 0.7270 1.0039 1.1041 3.5290 4.0024 0.9961 9.4879 1.1377 1.1347 0.4647 0.2491 1.0755 1.1837 3.8013 4.8425 0.0300 0.1790 1.2900 2.6408 0.4862 0.3933 0.2449 0.2606 0.1779 0.0300 0.4340 0.0300 thioproline 0.7858 1.3842 1.1012 0.7337 0.6307 0.9904 0.5806 1.1653 0.3562 1.0555 0.3902 0.8234 0.4785 1.8287 0.9530 0.7816 5.4083 5.5613 0.7385 0.2846 0.2721 1.0952 1.1635 1.0974 0.8639 1.3359 0.7760 1.3469 1.6466 0.6176 0.2922 1.1884 0.5529 2.0545 0.9354 0.6610 1.4013 1.6274 1.2877 0.7624 0.3273 1.9821 0.4977 2.4127 0.3351 1.1802 0.7797 1.6273 0.7145 0.5243 0.7364 2.2618 0.6705 0.8090 1.6090 1.7933 1.0535 0.9289 0.9206 0.6347 1.5821 2.5564 1.0096 0.9047 1.4724 1.8220 1.3780 2.0298 1.7660 2.0638 threonate 0.2371 0.7059 1.1764 1.1924 1.9668 1.1733 1.2422 0.9618 0.4380 1.1654 0.8804 1.4529 0.6026 0.7028 0.4492 0.7918 0.4299 0.5731 0.5624 1.5949 1.0098 1.2669 0.8430 0.8720 0.8275 1.6204 0.6732 1.4561 0.9240 1.3372 0.7090 0.8257 0.6495 0.4560 1.1385 0.7646 1.3964 1.8740 1.5729 1.4221 0.8666 1.5227 0.8461 1.2505 0.6047 0.8337 1.1340 1.9102 0.9902 1.2382 0.7343 0.9704 0.9050 1.1878 0.8947 1.7835 1.0510 2.0048 0.8555 1.7858 1.9876 2.5342 0.9563 0.9696 1.8726 1.6244 0.9147 2.0861 1.3525 1.3433 threonine 0.7868 0.8741 1.4513 0.7427 0.9210 0.9158 1.1010 1.9414 0.9291 1.0341 0.7528 0.9830 1.2754 1.2734 0.5820 0.7234 0.6844 1.4884 0.6843 0.6962 0.8151 0.4834 0.8436 1.1567 1.5040 0.8556 1.2879 1.1220 1.5074 0.6460 0.7877 0.8518 0.8730 0.7529 1.5871 1.1991 1.1109 1.3906 1.1821 0.9810 1.2795 0.9678 1.7501 0.8353 0.9117 1.4943 1.6693 1.6661 0.4900 0.9837 2.2672 2.0681 0.8557 1.3110 2.0825 1.2732 1.6127 1.5098 1.0073 0.7950 2.1475 0.9927 1.1391 1.2879 1.1328 1.7175 0.5493 0.5350 0.8918 0.9904 thymine 0.6232 0.6709 0.9964 0.6868 1.1738 0.8583 0.5768 0.9346 0.8195 0.7467 0.9477 0.9167 0.8617 1.0036 0.7742 1.1882 0.4043 1.0449 0.9623 0.8706 0.6730 0.6891 1.0402 1.2856 0.7379 0.8250 0.6859 0.8726 1.2464 1.1584 0.8313 1.1487 0.7032 0.6827 0.6510 0.8839 0.9152 0.9268 1.5699 1.3485 0.6909 0.9537 1.1992 1.3427 1.1169 1.4550 1.7222 1.6783 1.6481 1.0965 1.0093 1.1616 1.2520 1.3718 1.0284 0.9265 1.8946 2.2944 1.7449 2.2340 2.1202 1.8453 1.4191 1.2075 0.8998 1.0190 0.7395 0.5914 1.6683 1.7211 thymol sulfate 0.4738 1.2683 0.1319 0.0885 0.6354 2.4098 8.3821 1.7303 0.1678 8.3350 2.7369 8.7945 0.5634 3.0133 0.0825 6.0662 0.2899 3.3867 0.6384 3.5212 0.1937 0.7003 1.0133 2.1268 0.0582 0.5594 0.1327 1.0074 0.5314 2.7394 0.3989 3.0007 0.1347 3.9560 27.0816 7.4068 0.2533 4.2652 0.1108 2.0311 0.0731 6.2258 0.8188 1.1144 0.4088 0.7537 0.4833 6.2850 1.5183 1.0564 3.4463 2.9481 0.1045 0.9926 0.1682 1.9004 0.6770 1.6732 0.6104 2.9083 0.2038 2.4464 0.2152 2.1008 0.1977 1.5643 0.2405 0.0456 3.1848 0.9253 tigloylglycine 1.3332 1.8432 0.7036 0.8682 2.4957 1.9451 0.5900 1.0061 0.7983 0.5973 1.1001 1.0113 1.0449 0.9530 0.9920 0.5898 0.8339 2.1176 0.5090 1.0349 0.4542 0.7614 0.5815 0.4733 0.7796 1.3443 0.6972 1.2176 0.6702 0.9852 0.9090 0.6681 1.2828 2.7845 0.8279 1.0487 1.2078 0.9200 0.7988 2.1644 2.2554 2.6238 1.1621 2.3703 1.0635 1.1122 2.3642 1.7272 3.8647 1.1665 0.5345 0.5651 0.9939 0.6484 0.5796 1.3976 0.6413 0.9536 0.7053 1.0239 1.9271 1.0250 0.6312 0.9261 1.6843 0.9515 0.9547 1.5630 3.4534 1.8713 tiglyl carnitine (C5) 1.1327 1.5851 1.0822 0.9264 0.7122 0.8600 0.5104 0.9329 0.5656 0.3989 1.1169 1.4341 0.8485 0.9411 2.0472 1.1613 0.7782 1.0012 1.1714 0.6809 0.8132 0.6540 1.8394 1.2548 1.2695 0.5738 1.7478 0.9988 0.7648 0.4781 0.6329 0.8893 1.1848 0.7826 1.0097 0.6257 1.3496 0.9852 0.6669 0.7323 1.1041 1.2764 1.2657 0.7659 0.9024 1.1726 0.7639 0.9060 2.1392 0.9726 1.5492 1.1928 2.0508 0.9226 0.9058 0.8552 1.8752 1.5422 0.5753 0.6215 1.5954 1.0918 1.2899 1.0187 1.8109 1.1548 1.3362 1.9625 2.0512 0.8941 trans-2-hexenoylglycine 0.1596 2.0603 2.2155 2.1015 0.1648 3.1537 0.0774 2.6345 1.4769 1.9250 0.9327 3.8698 0.1812 0.9588 0.5182 0.4844 0.0827 0.8707 1.0125 0.7205 0.1274 0.8296 1.2623 1.2435 1.0427 0.5570 0.7776 0.5511 2.1206 0.9124 0.5210 0.9875 0.5635 1.5479 1.6409 1.1536 1.3136 2.6547 0.4330 0.7076 0.6073 1.4962 1.2169 2.3264 0.5964 1.3922 0.2145 0.2401 2.9960 1.6930 0.5601 0.8687 1.5551 1.1946 0.2565 0.9589 0.3539 0.7878 1.3445 1.6063 0.5051 1.8151 1.4978 3.2923 0.6409 1.2032 1.6638 1.9075 1.5236 0.4580 trans-3,4-methyleneheptanoylglycine 0.3937 1.0145 1.2553 0.5793 0.8137 1.3642 0.2388 1.5058 0.4571 1.6599 2.5250 1.2546 0.8209 0.4750 0.7891 0.3233 1.2805 1.4234 0.7499 0.3572 0.6380 0.6312 0.3397 0.3165 0.7600 0.2311 1.4640 0.6408 2.5504 1.5296 0.7981 1.1514 0.4063 0.5545 7.0994 1.2185 0.5438 0.8084 1.1042 1.2607 0.7406 0.7453 1.0072 0.9183 2.2767 1.1811 0.7601 0.5203 0.3838 0.5707 0.8842 0.7598 2.2402 2.6372 1.5536 1.1251 2.0918 2.6156 1.5534 0.9928 3.0153 1.4960 1.0311 1.3593 1.2164 1.5110 1.2719 1.2526 0.9399 0.5849 trans-aconitate 1.1131 2.1703 0.5990 0.7527 1.0235 0.8399 0.4510 1.3195 0.4671 1.2195 0.7991 1.2002 0.5734 1.3147 0.7728 0.9765 1.0351 2.6023 1.1303 0.6606 0.7563 1.0760 2.3567 1.0705 0.6166 1.1112 0.8248 1.1698 0.9320 0.7766 0.3799 0.6435 0.4702 1.6437 1.4795 0.7430 1.2219 1.6829 0.7726 1.1153 0.7913 1.5419 0.6483 1.6591 0.6829 0.7501 1.3134 1.6406 1.8222 0.9484 0.6717 0.6641 1.0247 0.6121 0.8073 1.5933 0.6869 0.7007 0.4470 0.5783 1.2277 1.3875 0.9757 1.1245 1.8974 1.8582 0.8307 1.1523 2.8111 1.2690 trans-urocanate 1.0190 1.3940 0.4583 0.6057 0.7133 0.8918 0.6758 1.2484 0.4218 0.7404 1.1662 1.2472 0.4209 1.1962 0.7190 0.5425 2.0860 3.5614 0.6145 0.5826 0.4772 0.4384 2.1823 1.1867 0.7173 1.1211 1.2667 2.1218 1.6076 1.6006 0.7368 0.8173 0.3887 1.1706 1.3735 0.6604 0.8788 0.9565 0.9265 1.2360 0.8291 2.2323 0.8696 1.7890 0.5282 0.6999 1.3092 1.2662 1.2069 1.0590 0.7661 1.0666 0.4393 0.4721 0.3721 1.0579 1.9317 1.9091 0.5450 0.6561 0.9810 1.1278 1.1198 1.0272 2.4020 1.9644 0.9439 0.9448 1.7185 1.0650 triacetate lactone 0.4312 2.7023 1.4963 1.3639 3.3968 2.1725 1.2532 2.1829 0.9470 1.6374 0.5554 0.8354 0.9204 0.7054 0.5893 0.8970 0.2525 0.7950 0.8395 1.6788 0.6947 0.8960 0.9734 0.8848 0.7225 1.2218 0.5177 1.1210 1.0409 1.8055 1.3224 0.7008 0.5243 0.4438 0.8825 0.9469 1.1379 1.5942 1.0821 1.2385 1.1317 1.1324 0.3815 1.6226 1.0211 1.3961 0.8265 0.9466 4.8120 0.8683 0.7734 1.2139 0.5831 1.0241 0.6916 0.6109 0.6241 0.9789 0.5802 2.2504 0.8999 1.2778 0.9426 1.4519 2.7558 1.2496 1.8981 4.3467 2.0000 1.2861 tricarballylate 0.4115 2.3157 0.5520 1.0530 2.0694 1.1719 1.4601 0.5221 0.0813 0.4725 3.2703 0.4156 0.7878 1.3543 1.3560 1.5694 0.1423 0.4427 0.6131 0.9908 0.2208 0.4336 0.5953 0.2488 1.9949 0.6062 1.7384 1.1619 0.9098 0.1077 0.9883 2.9678 1.0092 0.8728 1.7556 1.4911 14.0823 2.2263 0.9640 2.2230 11.1495 11.9722 0.6946 2.1386 0.4394 0.2858 1.5329 0.9170 0.4800 0.7291 0.5484 1.0792 1.5942 0.4651 1.9971 1.9416 0.7041 0.5392 0.4624 0.6482 5.3687 1.5971 1.2877 0.3729 6.5727 3.3478 1.5705 5.0226 3.4775 0.3908 tridecenedioate (C13:1-DC)* 0.0390 0.0390 0.1941 0.0390 1.6088 0.7467 0.0623 1.0000 0.0390 0.0390 0.0390 0.0390 0.0390 0.0390 0.0390 0.0390 1.4983 0.0390 0.0390 2.0429 0.0390 0.0390 0.0390 0.9869 0.3844 0.8843 0.4296 12.7935 0.4363 2.4037 2.8907 1.0824 0.0390 0.0390 0.0390 0.0390 0.7249 0.1716 4.2141 3.4186 0.7031 1.4352 0.0390 0.0390 0.2593 1.0899 0.9236 0.0390 0.0390 0.0390 1.3513 4.2861 0.5917 4.7843 0.2742 1.0184 0.0390 0.1836 2.0885 1.8948 2.9093 0.8556 0.5785 0.8903 0.2149 0.0390 1.5513 7.7701 0.0390 1.1806 trigonelline (N'-methylnicotinate) 0.3867 1.7470 0.1752 0.7468 0.8027 0.7991 0.7196 0.6418 0.3007 1.5984 0.4345 1.6267 1.5570 1.7612 1.7057 1.7362 0.4803 3.0175 0.8556 0.9170 0.7096 1.4164 2.2940 1.4307 0.5758 1.0142 0.2422 1.2818 0.3751 0.9824 0.3874 1.0065 0.6628 1.6644 0.9101 1.0556 1.0881 1.6079 1.0057 1.6299 1.2184 1.7377 2.6168 3.7913 0.5364 0.9304 0.7758 1.5966 2.2854 1.4530 1.2313 1.5703 0.1061 0.2866 0.3456 0.9901 0.2785 0.9943 0.1149 0.8313 0.3919 1.1170 1.0664 0.6453 0.6566 1.0940 0.8597 1.1103 2.6153 1.4865 trimethylamine N-oxide 1.5415 1.4356 0.9922 0.8803 0.6968 0.8463 0.7383 0.8358 0.4357 0.3822 0.8534 0.8550 1.1643 1.5103 1.3617 0.8751 0.6650 1.7394 0.9603 0.7072 0.6582 1.0311 1.5622 0.9000 1.0884 0.9199 1.0078 1.0158 0.6968 0.4544 0.6631 0.8416 0.6892 0.9890 0.7724 0.6181 2.3496 1.5064 1.5761 2.2477 1.0854 1.6461 1.2656 1.4630 1.0255 1.0756 1.1927 1.0246 1.9395 0.9674 0.8428 0.9677 0.9560 0.8959 1.0415 1.3190 1.1712 0.5602 0.8932 0.8333 2.0631 1.0685 1.2574 0.8129 1.1925 1.5816 0.8591 1.1415 2.5154 1.3979 trizma acetate 1.0799 3.0043 0.9152 1.6490 0.3639 0.7855 0.4803 1.6518 0.3466 1.4345 1.0093 1.4680 101.6136 1.4675 0.9907 1.0420 0.8564 1.8903 0.9857 0.2370 0.7509 1.2616 3.4214 0.7080 602.8217 0.8676 0.6990 0.7790 22.1216 0.6136 3.1897 0.3040 0.8132 2.1565 1.4702 0.8186 0.1172 0.1172 0.1172 0.1172 0.3977 0.2530 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 4.6018 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 0.1172 1.4518 0.1172 535.8235 0.1172 tryptamine 1.5957 0.9412 1.7650 2.5353 0.1643 0.6307 2.5301 2.0909 3.4742 2.0694 0.8713 0.8061 1.4851 1.0873 2.1849 1.5847 0.2596 0.7416 1.0000 0.2261 1.3511 0.8769 1.6016 0.6825 1.0013 0.9546 1.3165 0.6829 1.3156 0.2605 0.1247 0.2883 0.1714 0.5522 1.8244 0.5248 1.2007 2.6915 0.1450 0.1247 1.9041 1.3648 1.3732 0.4976 0.4984 0.5519 0.9015 1.0430 4.6615 3.2383 0.8520 0.4078 2.1028 0.5955 1.1362 0.6354 2.2363 0.8294 0.7118 0.2188 2.8000 3.2544 0.8354 0.1573 1.8809 1.5941 1.1075 0.1748 3.6612 0.8584 tryptophan 1.7623 2.0910 1.0595 0.9369 0.6498 0.6181 1.1076 1.3219 0.7795 0.8829 0.5960 0.7354 1.0547 1.6963 0.8620 0.7878 1.2441 2.4239 0.7455 0.6192 0.4982 0.5228 1.7929 1.0789 1.4617 2.1292 0.7182 1.0474 0.7037 0.5923 0.5989 0.6640 0.8303 1.5907 2.7199 1.7409 1.3676 1.6205 1.2208 1.1939 1.3517 1.6063 1.0145 1.6024 0.9442 1.1377 1.9852 1.8459 0.5440 0.7805 1.6259 2.1848 0.7803 0.8267 1.1007 1.3711 0.7527 1.0591 0.6856 0.7492 0.7312 0.6826 0.8550 0.6608 0.9855 1.1365 0.8158 0.8640 1.1615 0.8607 tryptophan betaine 0.1039 0.4031 1.0339 0.7872 1.7334 1.2391 0.0203 0.5213 0.0203 0.4089 0.3575 1.0069 3.7064 3.4057 1.5944 1.4562 1.0064 1.8985 9.7952 4.8683 0.4407 0.4442 1.0000 1.7108 0.7248 1.2691 0.3196 1.0221 0.7142 0.6170 0.4174 1.0816 1.3752 2.0564 0.1542 0.4069 0.1880 0.5868 5.6673 4.0267 1.3667 1.2415 3.7150 3.8418 1.1068 1.6462 10.4619 5.0397 0.4130 0.3464 0.0847 1.0974 0.1778 0.8376 0.8576 4.0006 0.2608 0.4220 0.0876 0.2629 0.2885 0.5098 0.5935 0.4235 0.3300 0.3898 1.0592 1.1033 4.7663 4.1883 tyramine 1.2802 1.6508 0.6023 0.7568 0.7538 0.5334 0.9771 1.4331 0.7426 1.4063 1.1160 0.6533 0.7036 1.3041 1.0033 1.3063 0.9051 1.7984 0.5213 0.8959 0.9268 0.7546 2.2773 0.9042 1.3743 6.2917 1.5145 2.7915 0.8946 0.7172 0.3690 0.5297 0.4689 1.4108 0.9208 0.6393 0.9935 1.4461 1.1368 1.3177 1.5568 1.7814 0.7226 1.3102 0.7559 0.8558 1.4786 1.2807 0.9092 1.7168 1.2188 1.1591 1.1423 0.9747 0.9046 1.9043 1.2843 1.4116 0.9344 1.1064 1.8229 1.6528 0.4986 0.4570 0.8107 0.9967 0.7590 0.5676 2.8381 1.5520 tyramine O-sulfate 0.5219 1.5405 2.9755 0.9978 2.0434 0.4329 9.4758 0.4744 3.6542 1.0627 1.0022 0.5161 2.8799 1.0050 0.5860 1.3340 0.4576 0.6669 0.7199 0.4327 2.3244 0.5996 1.8903 0.3399 1.6464 0.3093 1.9308 1.0980 4.6001 1.6977 0.4014 0.7189 0.8287 0.3699 1.5104 0.3232 1.3662 1.2111 0.7859 1.3221 0.7708 1.3606 1.1111 0.4534 1.2159 1.0284 0.7229 1.1835 0.9342 0.5375 1.1020 0.5333 1.6031 0.8152 3.8719 2.1564 0.4270 0.5121 1.5471 0.7015 1.0705 0.8497 0.5958 0.4993 2.1981 17.7424 0.8561 1.0559 0.8053 0.8647 tyrosine 0.9944 1.0173 0.9614 0.7720 0.6691 0.6877 1.4778 2.4608 0.5795 0.7539 0.6366 0.7060 0.9384 0.8197 0.5364 0.6525 0.7780 1.2569 0.4708 0.6621 0.6490 0.3607 1.0056 1.3365 1.8185 1.0257 0.7944 0.7278 0.8036 0.4692 0.7280 0.8754 0.7626 0.9077 3.3868 2.2952 1.3039 2.0766 1.7456 1.2909 2.3463 1.7031 1.3019 1.5925 1.6425 1.6315 2.1964 1.5975 0.3966 0.6744 2.9386 3.1566 1.0215 1.2291 2.0736 1.9081 1.4668 2.0663 0.7080 0.7465 1.3163 0.8726 1.0923 1.1118 1.0989 0.8212 0.6085 0.8078 1.5533 0.8714 umbelliferone sulfate 1.8354 1.5144 0.4528 1.0053 12.3072 0.7237 1.1919 9.5086 0.6591 0.9120 0.1645 0.1901 26.7156 0.4224 0.8665 0.2608 0.3438 0.7589 0.9947 0.8131 0.7972 0.2861 0.3193 0.5044 2.2005 1.0642 0.8443 2.8006 2.4162 2.1869 0.2072 1.5422 5.8638 5.3612 18.0452 8.6436 0.3874 0.6485 0.7033 0.6495 0.3833 1.3982 2.0915 78.8135 0.4814 0.2486 0.4264 0.4965 0.9097 3.2742 9.0122 5.1372 2.9067 1.3990 0.8420 0.7691 1.1154 1.9692 8.2062 5.2484 24.6217 3.9504 12.9685 8.0698 0.3371 0.1931 0.8934 0.5015 3.3643 9.9988 uracil 0.5304 0.7136 1.4421 0.9078 0.9891 0.9806 0.3662 0.8032 1.0870 1.0073 1.2267 0.9153 0.4370 0.8861 1.0347 2.0178 0.0772 0.1889 1.1298 0.9431 0.6003 0.8799 1.2032 1.5750 0.5557 0.2928 0.6976 0.7662 1.0294 1.3154 0.9665 1.1830 0.7146 0.9184 0.4385 0.9039 1.2901 1.1529 1.6357 1.6362 0.4702 1.6183 0.9927 1.2952 1.0606 1.3454 1.8271 1.6362 1.6033 1.6263 0.8645 1.2060 1.0385 0.7845 0.8349 1.3420 1.9144 2.6008 1.4529 2.2494 2.4148 1.6335 0.8761 0.7798 0.5265 0.9466 0.8812 0.8943 1.7964 1.3473 urate 0.9518 1.9253 0.6319 0.9279 0.7254 0.6593 0.7576 1.0510 0.4578 0.9644 0.6255 0.5408 0.6913 1.2567 0.8269 0.9556 0.9277 1.9285 1.0578 0.7030 0.5879 1.0341 1.7238 1.3882 0.7736 0.9984 0.7775 1.0650 0.6961 0.7536 0.7733 0.9092 0.7030 1.2308 0.6879 0.4530 1.0470 1.5036 1.5009 1.9819 1.0261 1.5363 0.6765 2.1667 0.8141 0.8836 1.8767 1.4632 1.2210 0.9077 1.1460 1.4439 1.0016 0.9685 1.1143 1.5262 1.1632 1.4257 0.8421 1.0274 1.4299 1.1797 0.9236 0.8654 1.2813 1.4962 0.7282 1.2992 3.3974 1.9799 urea 1.3730 1.4581 0.7528 1.0003 0.5912 0.6605 0.7934 0.8671 0.6645 0.8859 0.8335 0.6650 0.7004 1.2797 1.0870 1.0224 0.8708 1.6055 0.9376 0.7028 0.6392 1.0646 1.6155 1.0839 0.7123 1.0605 0.8066 0.9767 0.6712 0.6205 0.6651 0.8516 0.7853 1.2251 0.6042 0.7409 1.1771 1.1382 1.0793 1.4647 1.0370 1.4339 1.0902 1.8055 0.7773 0.8334 1.7535 1.5532 1.7713 1.2159 0.9578 1.0379 1.4232 0.8552 1.0278 1.7961 0.9997 1.1597 0.7089 0.7915 1.5281 1.1487 0.9871 0.8504 1.4835 1.2592 0.9190 0.9442 1.7907 1.4797 uric acid ribonucleoside* 1.0687 2.1459 0.7697 1.1735 0.9977 0.6879 0.9105 1.4744 0.3060 1.0023 1.4425 2.2335 0.6105 0.8380 0.9481 1.1388 0.5633 1.7431 0.6193 0.6213 0.7623 0.9080 1.4427 1.0928 0.7206 0.4460 0.9184 0.7251 1.1809 0.8388 0.7531 0.7744 0.5517 0.7543 2.1918 1.0736 0.8035 1.6588 0.6129 1.1225 1.8011 1.9773 1.2269 1.7641 0.7851 0.8801 0.8238 1.2255 1.5663 1.0565 1.2508 1.1923 1.1359 0.7690 1.0663 1.5279 1.4985 1.9514 0.3818 0.6813 0.5583 0.9219 1.4566 1.3499 1.8668 1.9151 0.9403 0.9893 1.3483 0.7360 uridine 0.9242 1.0834 1.6273 0.9676 0.9207 0.9050 0.4596 1.0391 0.4891 0.7437 0.6490 0.6407 0.3665 0.8954 0.7715 1.0012 1.1567 2.0257 0.6157 0.3482 0.4281 0.7666 1.3023 1.1171 1.1396 1.7767 0.7922 1.1626 1.1501 0.9885 1.0128 1.0064 0.5724 1.1725 0.7653 1.0979 0.9988 1.1216 1.4351 2.9228 0.4887 1.4306 0.8931 2.0715 1.0942 0.9523 2.4667 1.7137 1.5015 0.7547 0.9035 1.2004 0.8159 0.6062 0.7113 1.2154 1.4405 1.3870 0.9610 1.4702 1.9281 1.4545 0.6118 0.7969 0.2940 0.8811 0.7255 1.1203 2.9947 1.9506 ursocholate 2.7920 0.1623 0.9771 1.9577 0.5891 0.1623 0.2804 0.2642 0.9824 0.3384 0.4883 0.7145 0.1623 0.1623 1.9400 3.7737 0.1623 0.8939 0.2500 0.7844 1.3906 1.7730 0.1623 0.1623 5.6508 0.1623 0.4026 0.1623 0.1623 0.1623 0.2079 0.2645 108.8898 17.9680 2.0895 1.8159 0.2186 0.4188 0.2510 0.1623 3.6204 4.0341 2.1706 4.6634 0.9825 9.6361 6.2965 1.0413 0.1623 1.7827 0.5351 0.4936 608.3395 66.5558 3.0923 2.7051 0.3454 1.0225 0.3897 0.4134 0.8835 1.0943 1.0175 0.3012 2.8645 5.5238 0.7685 0.6689 0.1623 0.1623 valine 0.6585 0.8824 0.9601 0.8232 0.9983 0.6821 0.8328 1.3043 0.8145 0.9204 1.1618 1.1341 0.7115 0.6833 0.4923 0.5781 0.5148 1.0126 0.5057 0.5608 0.7897 0.6773 0.7108 0.8643 1.1749 1.1536 1.0115 0.8865 0.8996 0.6085 0.6635 0.8324 0.6746 0.6470 1.2758 0.9797 0.9884 1.1437 1.3323 1.4593 1.5009 1.4685 1.7434 1.5026 1.2907 1.3734 2.0434 1.1184 1.3409 1.1322 1.2562 1.3144 1.0735 0.8796 1.5312 1.4510 1.2716 1.5385 0.7080 0.8903 1.3733 1.3793 1.0411 1.0017 1.1985 1.3897 0.7060 0.9541 0.9047 1.2421 valylleucine 0.3748 0.3748 1.0699 1.0762 0.6757 0.8801 0.3748 1.2948 0.9345 1.1424 1.7215 2.6607 1.2065 0.3748 0.3748 0.9411 0.3748 0.3748 0.3748 0.3748 0.6169 0.7910 0.3748 0.9347 0.5182 0.3748 1.3506 0.3748 1.6319 0.8612 0.7014 0.4833 0.3748 0.3748 2.5112 1.2868 0.7494 1.3360 0.3748 0.3748 1.0398 0.3748 2.0691 0.3748 1.1587 1.7683 0.3748 0.6333 0.3748 2.7341 0.3748 0.5803 0.7729 0.3748 0.9074 0.3748 0.9602 1.5186 0.5633 1.2372 0.4999 1.8830 0.3748 2.5983 0.3748 0.3748 0.8937 0.3748 0.3748 0.3748 vanillactate 0.2448 0.4063 0.4613 1.1198 2.5653 0.8294 0.8016 0.4130 0.4613 1.3942 0.6982 1.0726 0.6295 0.3925 0.5967 0.9836 0.2320 0.5870 0.5929 0.7520 0.6784 0.5840 0.5157 0.4592 0.5538 0.2649 1.0002 1.2815 1.6937 0.8577 0.8369 0.7660 0.7317 0.6246 1.2923 0.8021 0.7439 1.8969 1.1644 0.9998 1.2424 1.3975 1.0549 1.9566 0.5434 0.6262 1.1939 1.1448 0.9437 1.2661 1.0938 1.2366 2.1393 1.2967 1.9618 2.3484 0.7709 1.5991 0.5482 1.3963 1.2876 1.2634 1.0039 1.5970 1.3479 1.1470 1.1196 1.9994 1.5143 1.0352 vanillate 0.2279 0.6868 0.5193 0.7317 2.0417 0.7418 1.0313 0.5191 0.1116 1.5696 0.0790 0.5551 2.3991 0.4911 1.9546 1.5310 0.8740 1.1202 0.7194 1.7284 0.1216 0.7403 0.0790 1.2955 0.7980 1.9874 0.6155 3.2596 0.6555 1.2536 1.0035 3.4461 0.2025 0.8697 1.2524 1.5275 1.7340 1.3458 6.0062 6.1275 0.4422 0.8032 0.0790 0.8628 0.0790 0.7006 1.5808 2.5858 0.1868 0.4322 1.8920 3.0587 0.5365 0.9965 0.8341 0.6848 0.6684 3.5864 0.5026 2.5106 1.3623 1.6430 0.4616 2.1819 2.5041 2.1684 0.7947 2.8732 0.0790 1.2443 vanillic alcohol sulfate 0.2750 1.2342 0.4608 1.4103 7.6741 0.6221 0.7790 0.4926 0.9078 4.0131 0.8840 1.4710 1.8958 0.5032 0.5549 2.3426 0.0373 0.7794 0.4459 0.6162 0.8247 0.4035 0.4781 0.2465 0.3749 0.3474 1.2308 2.9875 1.5998 0.9223 0.2507 3.8670 2.3898 1.2435 5.3249 3.1316 0.5737 1.4840 1.0777 0.7580 2.7590 0.9177 1.2470 1.2812 0.2075 0.5123 0.7921 4.6897 0.6639 1.2104 3.1684 0.6752 1.2311 0.3945 1.2342 0.5554 2.2042 1.8707 0.2235 0.9054 1.3237 1.4681 1.3212 0.8245 1.1611 2.9901 0.8898 2.3621 1.3065 1.1031 vanillylmandelate (VMA) 0.4724 0.8533 1.0101 0.9454 1.3447 1.3809 0.3163 0.8074 0.6231 1.3788 1.0482 1.3098 0.5221 0.7597 0.5675 0.8715 0.4138 1.0710 0.8235 0.8109 0.6178 0.7302 1.0704 1.0073 1.1822 0.9569 0.8790 1.0863 1.2291 1.1034 0.6030 0.7834 0.5324 0.7220 0.7765 0.7704 0.7362 0.9805 1.1078 1.8291 0.8839 1.1592 1.2160 1.5796 0.8354 0.8247 1.1685 0.9992 1.1824 1.2113 0.9222 1.1598 1.0008 1.0998 1.2303 2.0070 0.6357 1.0769 0.8777 1.3061 1.1578 1.3450 0.8161 1.0767 0.9830 1.1229 0.8994 1.5201 1.5211 1.3818 xanthine 0.9179 1.1747 0.6496 0.8811 0.7406 0.1687 0.7260 1.6574 0.6253 1.2370 1.0194 0.2183 0.4222 1.3386 0.6575 0.8677 0.5520 1.2748 0.7613 0.5468 0.7093 0.9457 1.7381 1.7743 0.8720 1.1007 1.0048 1.7963 0.8693 1.0127 0.9167 0.9201 0.6736 0.9946 0.5367 0.3835 1.1144 1.1591 1.4208 2.1193 0.5228 1.4531 0.5228 2.0185 0.9952 0.7596 1.6607 1.5887 1.0648 0.7526 1.1238 1.6632 1.0459 0.9036 0.6731 2.0242 1.2778 1.3388 1.1317 1.1901 1.8249 1.4199 0.7831 0.6960 0.7342 1.2434 0.6871 1.1815 2.7339 2.0404 xanthopterin 1.6398 2.4665 0.2186 1.0872 1.4167 0.3066 0.6462 1.4176 0.2438 0.9555 1.5945 0.1082 0.6594 1.8734 0.9686 0.9834 0.9767 1.5414 1.0717 0.5533 0.4401 0.4295 1.4049 1.1661 0.9044 0.6030 0.8493 1.3735 0.4291 0.9693 0.8798 0.9265 0.4545 0.5404 0.5763 0.1082 1.4076 1.6153 1.2462 0.9142 1.0166 1.4447 0.1884 1.4293 0.5138 0.2087 1.3033 2.1907 1.3049 1.4241 0.8531 1.5043 1.0585 0.7129 1.2729 1.5659 0.8809 1.6950 0.7298 1.3153 0.7214 0.7979 1.0190 0.1082 1.6895 1.6923 0.8838 1.8746 1.9317 1.4520 xanthosine 0.7084 1.0460 0.9667 0.6800 0.8134 1.1351 0.6086 1.6649 0.7709 1.2537 1.0571 0.9423 0.5970 1.2272 0.5521 0.7231 0.2757 0.7322 0.6247 0.5768 0.6948 0.9060 1.0052 0.9622 1.0414 0.5907 1.2712 1.0801 1.2092 1.1327 0.8717 0.8779 0.8786 1.0208 1.4354 0.9063 0.9233 1.2901 0.9880 1.3681 0.8135 1.2663 1.2242 0.8617 0.9850 0.8586 1.0344 1.3930 1.1570 1.2062 0.7630 1.3501 0.5869 0.5950 0.9948 2.1690 1.0316 2.0545 0.9025 1.4592 2.0903 1.7709 1.2397 2.1064 0.8781 1.1876 0.7379 1.3377 1.8261 1.4849 xanthurenate 1.4369 0.7381 0.8303 0.8436 2.8922 1.2366 2.5304 0.7084 1.8291 1.2289 0.6999 1.0587 2.8628 2.0516 1.8131 1.1295 0.8277 0.6742 0.4782 0.7691 1.1443 0.9965 0.8094 0.8970 0.6450 0.4574 1.5135 0.8946 0.4513 0.5661 2.2643 1.1868 1.3178 0.8186 0.5728 0.5822 1.5530 0.9988 0.7982 0.8618 1.0699 0.8442 0.9585 1.1848 1.3259 0.9183 3.5598 3.2096 1.6672 1.1508 1.0012 0.7666 1.3114 0.9881 0.8457 1.2150 0.9601 1.2968 0.4531 1.0781 1.1662 0.7956 1.0932 0.7547 1.9062 0.6803 0.9272 1.4993 1.0169 1.3065 xylose 0.3834 0.6513 1.0602 0.7683 1.1351 0.2550 0.7684 1.2196 0.7404 1.3058 0.9311 1.3848 1.0000 0.8574 0.5052 0.6397 0.2550 0.8508 0.8174 0.5683 0.7535 1.7883 0.7480 1.0184 1.2185 0.8250 0.7373 0.9472 3.4742 0.8777 0.5912 0.7285 0.4029 0.3345 1.1112 0.7333 1.6500 1.1061 1.2517 1.0354 1.0974 1.2992 0.8994 1.5184 1.0318 0.9947 1.0571 1.2610 1.2267 0.8091 0.4122 1.1923 0.8623 0.5792 1.3845 1.9884 1.4756 1.4605 0.8186 0.9785 1.3936 1.3366 1.1248 1.0987 0.7533 1.3943 1.1547 3.8178 1.1267 0.8670 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID RI MASS PUBCHEM CAS KEGG HMDB (2,4 or 2,5)-dimethylphenol sulfate Xenobiotics Food Component/Plant 62533 LC/MS Neg 100020519 3474 201.0227 (N(1) + N(8))-acetylspermidine Amino Acid Polyamine Metabolism 57814 LC/MS Pos Early 100016038 3080 188.1757 (R)-3-hydroxybutyrylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 43264 LC/MS Pos Early 100003926 2400 248.1493 53481617 HMDB13127 (S)-3-hydroxybutyrylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 52984 LC/MS Pos Early 100009271 2340 248.1493 1,2,3-benzenetriol sulfate (1) Xenobiotics Chemical 48761 LC/MS Neg 100006373 1453 204.9812 1,2,3-benzenetriol sulfate (2) Xenobiotics Chemical 48762 LC/MS Neg 100006374 1709 204.9812 1,3,7-trimethylurate Xenobiotics Xanthine Metabolism 34404 LC/MS Neg 100001397 1985 209.068 79437 5415-44-1 C16361 HMDB02123 1,3-dimethylurate Xenobiotics Xanthine Metabolism 32391 LC/MS Neg 100001106 1671.4 195.0524 70346 944-73-0 HMDB01857 1,5-anhydroglucitol (1,5-AG) Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 20675 LC/MS Neg 100000580 802 163.0612 64960 154-58-5 C07326 HMDB02712 1,6-anhydroglucose Xenobiotics Food Component/Plant 21049 LC/MS Neg 100000939 919.7 161.0455 2724705 498-07-7 HMDB00640 1,7-dimethylurate Xenobiotics Xanthine Metabolism 34400 LC/MS Neg 100001399 1578.6 195.0524 91611 33868-03-0 C16356 HMDB11103 11-dehydrocorticosterone sulfate Lipid Corticosteroids 63074 LC/MS Neg 100020563 4296 423.1483 11-ketoetiocholanolone glucuronide Lipid Androgenic Steroids 47135 LC/MS Neg 100005402 4280 479.2287 17181-16-7 11-ketoetiocholanolone sulfate Lipid Androgenic Steroids 38167 LC/MS Neg 100002125 4420 383.1534 12-dehydrocholate Lipid Secondary Bile Acid Metabolism 44644 LC/MS Neg 100001072 4871 405.2646 94235 2458-08-4;2458-08-4 HMDB00400 16a-hydroxy DHEA 3-sulfate Lipid Androgenic Steroids 38168 LC/MS Neg 100002126 4240 383.1534 17alpha-hydroxypregnanolone glucuronide Lipid Pregnenolone Steroids 47403 LC/MS Neg 100005418 5071.9 509.2756 1-carboxyethylisoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 62558 LC/MS Neg 100020427 2628 202.1085 1-carboxyethylleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 62559 LC/MS Neg 100020425 2663 202.1085 1-carboxyethylphenylalanine Amino Acid Phenylalanine Metabolism 62566 LC/MS Neg 100020419 2844 236.0928 1-carboxyethyltyrosine Amino Acid Tyrosine Metabolism 62564 LC/MS Neg 100020421 1846 252.0877 1-carboxyethylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 62562 LC/MS Neg 100020423 2008 188.0928 1-kestose Xenobiotics Food Component/Plant 22012 LC/MS Neg 100000980 1054 503.1618 440080 470-69-9 C03661 HMDB11729 1-methyl-4-imidazoleacetate Amino Acid Histidine Metabolism 32350 LC/MS Pos Early 100001208 2064 141.0659 75810 2625-49-2 C05828 HMDB02820 1-methyl-5-imidazoleacetate Amino Acid Histidine Metabolism 62946 LC/MS Pos Early 100002910 1989 141.0659 6451814 4200-48-0 HMDB04988 1-methyladenine Nucleotide Purine Metabolism, Adenine containing 1527 LC/MS Pos Early 54 2133 150.0774 78821 5142-22-3 C02216 HMDB11599 1-methyladenosine Nucleotide Purine Metabolism, Adenine containing 15650 LC/MS Pos Early 1242 2120 282.1197 27476 15763-06-1 C02494 HMDB03331 1-methylguanidine Amino Acid Guanidino and Acetamido Metabolism 48114 LC/MS Pos Early 100000715 2149 74.0713 10111 22661-87-6 C02294 HMDB01522 1-methylguanine Nucleotide Purine Metabolism, Guanine containing 32395 LC/MS Neg 100001133 1643 164.0578 70315 938-85-2 HMDB03282 1-methylguanosine Nucleotide Purine Metabolism, Guanine containing 31609 LC/MS Neg 100001122 1915 296.1 96373 2140-65-0 HMDB01563 1-methylhistamine Amino Acid Histidine Metabolism 43831 LC/MS Pos Early 100001204 3040 126.1026 3614 501-75-7 C05127 HMDB00898 1-methylhistidine Amino Acid Histidine Metabolism 30460 LC/MS Neg 100001051 1227 168.0779 92105 332-80-9 C01152 HMDB00001 1-methylhypoxanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 57771 LC/MS Pos Early 100004644 1530 151.0614 70765 1125-39-9 HMDB13141 1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos Early 55 1940 137.0709 457 1005-24-9 C02918 HMDB00699 1-methylurate Xenobiotics Xanthine Metabolism 34395 LC/MS Pos Early 100001400 1461 183.0513 69726 708-79-2 C16359 HMDB03099 1-methylxanthine Xenobiotics Xanthine Metabolism 34389 LC/MS Neg 100001405 1568.8 165.0418 80220 6136-37-4 C16358 HMDB10738 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) Lipid Phosphatidylcholine (PC) 52461 LC/MS Pos Late 1539 2358 760.5851 6436017 26853-31-6;26853-31-6 HMDB07972 1-palmitoylglycerol (16:0) Lipid Monoacylglycerol 21127 LC/MS Neg 100000827 6550 255.2329 14900 542-44-9 HMDB31074 1-ribosyl-imidazoleacetate* Amino Acid Histidine Metabolism 61868 LC/MS Pos Early 100001668 2006 259.0925 5117448 29605-99-0 C05131 HMDB02331 2,3-dihydroxy-2-methylbutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 57547 LC/MS Polar 100010869 1318 133.0506 301941 14868-24-7 HMDB29576 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 62805 LC/MS Neg 100020893 1156 177.0227 2,3-dihydroxyisovalerate Xenobiotics Food Component/Plant 38276 LC/MS Polar 100002417 1050 133.0506 677 1756-18-9 C04039 HMDB12141 2,3-dihydroxypyridine Xenobiotics Food Component/Plant 21132 LC/MS Pos Early 100000861 1420 112.0393 28115 16867-04-2 2,3-dimethylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 20703 LC/MS Polar 100000849 2800 145.0506 11848 13545-04-5 2,4,6-trihydroxybenzoate Xenobiotics Benzoate Metabolism 35892 LC/MS Neg 100001718 1574 169.0142 66520 83-30-7 HMDB29649 2,6-dihydroxybenzoic acid Xenobiotics Drug - Topical Agents 63042 LC/MS Neg 100020837 2575 153.0193 9338 303-07-1 HMDB13676 2,8-quinolinediol sulfate Xenobiotics Food Component/Plant 48691 LC/MS Neg 100004321 2612 239.9972 21-hydroxypregnenolone disulfate Lipid Pregnenolone Steroids 46115 LC/MS Neg 100001999 3935 245.0671 134595 1164-98-3 2-acetamidophenol sulfate Xenobiotics Food Component/Plant 48580 LC/MS Neg 100006190 2251 230.0129 181671 40712-60-5 2-aminoadipate Amino Acid Lysine Metabolism 6146 LC/MS Polar 381 3500 160.0615 469 542-32-5;1118-90-7 C00956 HMDB00510 2-aminooctanoate Lipid Fatty Acid, Amino 43343 LC/MS Pos Late 100004227 750 160.1332 69522 644-90-6 HMDB00991 2-aminophenol sulfate Xenobiotics Food Component/Plant 43266 LC/MS Neg 100004322 1677 188.0023 181670 HMDB61116 2-butenoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 61785 LC/MS Neg 100016110 1380 142.051 6303498 71428-89-2 2'-deoxyadenosine Nucleotide Purine Metabolism, Adenine containing 1553 LC/MS Pos Early 211 2252 252.1091 13730 16373-93-6 C00559 HMDB00101 2'-deoxyguanosine Nucleotide Purine Metabolism, Guanine containing 1411 LC/MS Neg 348 1700 266.0895 187790 961-07-9 C00330 HMDB00085 2-ethylphenylsulfate Xenobiotics Benzoate Metabolism 36847 LC/MS Neg 100001809 3416 201.0227 2-furoylcarnitine Xenobiotics Food Component/Plant 61771 LC/MS Pos Early 100016070 2672 256.118 2-hydroxy-3-methylvalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 36746 LC/MS Neg 100001541 1800 131.0714 164623 488-15-3 HMDB00317 2-hydroxyacetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 33173 LC/MS Neg 100001791 1674 246.0078 86290013 2-hydroxyadipate Lipid Fatty Acid, Dicarboxylate 31934 LC/MS Polar 100001153 3000 161.0455 193530 18294-85-4 C02360 HMDB00321 2-hydroxybutyrate/2-hydroxyisobutyrate Amino Acid Glutathione Metabolism 52281 LC/MS Polar 100008928 1258 103.0401 2-hydroxyglutarate Lipid Fatty Acid, Dicarboxylate 37253 LC/MS Pos Early 100002070 958 131.0339 43 40951-21-1 C02630 HMDB0059655 2-hydroxyhippurate (salicylurate) Xenobiotics Benzoate Metabolism 18281 LC/MS Neg 1869 2184 194.0459 10253 487-54-7 C07588 HMDB00840 2-hydroxyibuprofen Xenobiotics Drug - Analgesics, Anesthetics 43330 LC/MS Neg 100004169 3462 221.1183 10443535 51146-55-5 HMDB60920 2-hydroxyoctanoate Lipid Fatty Acid, Monohydroxy 22036 LC/MS Neg 100000743 3736.8 159.1027 94180 617-73-2 HMDB02264 2-hydroxyphenylacetate Amino Acid Phenylalanine Metabolism 1432 LC/MS Polar 235 858.6 151.0401 11970 614-75-5 C05852 HMDB00669 2-isopropylmalate Xenobiotics Food Component/Plant 15667 LC/MS Neg 100000409 725 175.0612 77 3237-44-3 C02504 HMDB00402 2-keto-3-deoxy-gluconate Xenobiotics Food Component/Plant 48141 LC/MS Polar 100005946 1900 177.0405 161227 17510-99-5 C00204 HMDB01353 2-ketogluconate Xenobiotics Food Component/Plant 48370 LC/MS Polar 100005943 2668 193.0354 3035456 1040352-40-6 2-methoxyacetaminophen glucuronide* Xenobiotics Drug - Analgesics, Anesthetics 33161 LC/MS Neg 100001795 1633 356.0987 14367271 2-methoxyacetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 47031 LC/MS Neg 100001793 1949 260.0234 86290014 2-methoxyresorcinol sulfate Xenobiotics Chemical 48445 LC/MS Neg 100006184 1863 218.9969 1446269-78-8 2-methylbutyrylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos Early 100001509 3050 246.17 6426901 31023-25-3 HMDB00378 2-methylbutyrylglycine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 31928 LC/MS Neg 100001155 1884 158.0823 193872 52320-67-9 HMDB00339 2-methylcitrate Energy TCA Cycle 37483 LC/MS Pos Early 90 1370 224.0765 515;439681 6061-96-7 C02225 HMDB00379 2-methylmalonylcarnitine (C4-DC) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 35482 LC/MS Pos Early 100001596 2440 262.1285 53481628 149181-64-6 HMDB13133 2-methylserine Amino Acid Glycine, Serine and Threonine Metabolism 53229 LC/MS Pos Early 100009246 1652 120.0655 94309 C02115 2-naphthol sulfate Xenobiotics Chemical 62520 LC/MS Neg 100020515 3658 223.0071 74428 2-octenoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 61803 LC/MS Neg 100016113 4020 269.1507 2'-O-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 57554 LC/MS Pos Early 100010895 2411 258.1085 150971 2140-72-9 2'-O-methyluridine Nucleotide Pyrimidine Metabolism, Uracil containing 57655 LC/MS Neg 100010896 1831 257.0779 102212 2140-76-3 2-oxindole-3-acetate Xenobiotics Food Component/Plant 40479 LC/MS Neg 100003109 2076 190.051 3080590 2971-31-5 HMDB35514 2-oxo-1-pyrrolidinepropionate Xenobiotics Chemical 40452 LC/MS Pos Early 100003265 1600 158.0812 3146688 77191-38-9 2-oxoadipate Amino Acid Lysine Metabolism 38347 LC/MS Polar 92 2635 159.0299 71 3184-35-8 C00322 HMDB00225 2-oxoarginine* Amino Acid Urea cycle; Arginine and Proline Metabolism 55072 LC/MS Neg 100002784 963 172.0728 558 10/4/3715 C03771 HMDB04225 2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.0757 12665 675-20-7 HMDB11749 2-pyrrolidinone Amino Acid Glutamate Metabolism 31675 LC/MS Pos Early 100001081 1262 86.06 12025 616-45-5 HMDB02039 2S,3R-dihydroxybutyrate Lipid Fatty Acid, Dihydroxy 62950 LC/MS Polar 100002284 1660 119.035 10964471 5057-93-2 HMDB02453 3-(3-amino-3-carboxypropyl)uridine* Nucleotide Pyrimidine Metabolism, Uracil containing 62924 LC/MS Neg 100001426 1369 344.1099 171198 52745-94-5 3-(3-hydroxyphenyl)propionate Xenobiotics Benzoate Metabolism 35635 LC/MS Neg 100001624 1980 165.0557 91 621-54-5 C11457 HMDB00375 3-(3-hydroxyphenyl)propionate sulfate Xenobiotics Benzoate Metabolism 45415 LC/MS Neg 100005391 1294 245.0125 187488 86321-32-6 3-(4-hydroxyphenyl)lactate (HPLA) Amino Acid Tyrosine Metabolism 32197 LC/MS Neg 240 1379 181.0506 9378 6482-98-0 C03672 HMDB00755 3-(cystein-S-yl)acetaminophen* Xenobiotics Drug - Analgesics, Anesthetics 34365 LC/MS Pos Early 100001797 2420 271.0747 5233914 3-(methylthio)acetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 62567 LC/MS Neg 100020827 2265 276.0006 3-(N-acetyl-L-cystein-S-yl) acetaminophen Xenobiotics Drug - Analgesics, Anesthetics 45721 LC/MS Neg 2048 2094 311.0707 83967 52372-86-8 3,4-dihydroxybutyrate Lipid Fatty Acid, Dihydroxy 62952 LC/MS Polar 100001730 2204 119.035 51267-44-8 3,4-dihydroxyphenylacetate Amino Acid Tyrosine Metabolism 18296 LC/MS Neg 100000449 1040 123.0452 547 102-32-9 C01161 HMDB01336 3,4-dihydroxyphenylacetate sulfate Amino Acid Tyrosine Metabolism 48736 LC/MS Neg 100006254 800 246.9918 193283 38339-04-7 3,5-dihydroxybenzoic acid Xenobiotics Benzoate Metabolism 37508 LC/MS Neg 100002054 785.4 153.0193 7424 99-10-5 HMDB13677 3,7-dimethylurate Xenobiotics Xanthine Metabolism 34399 LC/MS Neg 100001398 1418 195.0524 83126 13087-49-5 C16360 HMDB01982 3-acetylphenol Xenobiotics Chemical 42983 LC/MS Neg 100004099 3400 135.0452 8487 121-71-1 3-acetylphenol sulfate Xenobiotics Chemical 48693 LC/MS Neg 100004326 2477 215.002 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide Lipid Corticosteroids 47401 LC/MS Neg 100005417 4732 523.2549 3-amino-2-piperidone Amino Acid Urea cycle; Arginine and Proline Metabolism 62853 LC/MS Pos Early 100020361 2065 115.0866 5200225 1892-22-4 HMDB00323 3-aminoisobutyrate Nucleotide Pyrimidine Metabolism, Thymine containing 1566 LC/MS Pos Early 1114 2190 104.0706 64956 10569-72-9;214139-20-5 C05145 HMDB03911 3'-a-sialyl-N-acetyllactosamine Carbohydrate Aminosugar Metabolism 40042 LC/MS Polar 100003257 3300 673.2309 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP) Lipid Fatty Acid, Dicarboxylate 61871 LC/MS Neg 100020004 4000 267.1238 194501 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) Lipid Fatty Acid, Dicarboxylate 31787 LC/MS Neg 100001178 2800 239.0925 123979 86879-39-2 HMDB61112 3-ethylcatechol sulfate (1) Xenobiotics Food Component/Plant 62796 LC/MS Neg 100020851 3422 217.0176 3-formylindole Xenobiotics Food Component/Plant 62863 LC/MS Neg 100020219 3709 144.0455 10256 487-89-8 C08493 HMDB29737 3-heptenoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 61806 LC/MS Neg 100019813 3220 255.135 3-hydroxy-2-ethylpropionate Amino Acid Leucine, Isoleucine and Valine Metabolism 32397 LC/MS Polar 100001170 1443.3 117.0557 188979 4374-62-3 HMDB00396 3-hydroxy-3-methylglutarate Lipid Mevalonate Metabolism 531 LC/MS Polar 112 2850 161.0456 1662 503-49-1 C03761 HMDB00355 3-hydroxyadipate* Lipid Fatty Acid, Dicarboxylate 62069 LC/MS Polar 100004396 3131 161.0455 151913 HMDB00345 3-hydroxyanthranilate Amino Acid Tryptophan Metabolism 32353 LC/MS Pos Early 243 2407 154.0499 86 548-93-6 C00632 HMDB01476 3-hydroxybutyrate (BHBA) Lipid Ketone Bodies 542 LC/MS Polar 254 1480 103.0401 441 625-72-9 C01089 HMDB00357 3-hydroxybutyroylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 62064 LC/MS Neg 100020211 889 160.0615 3-hydroxycinnamate Xenobiotics Food Component/Plant 20698 LC/MS Neg 100000842 1960 163.0401 637541 588-30-7;14755-02-3 C12621 HMDB01713 3-hydroxycinnamate sulfate Xenobiotics Food Component/Plant 48409 LC/MS Neg 100006094 1338 242.9969 6443141 86321-30-4 3-hydroxydodecanedioate* Lipid Fatty Acid, Dicarboxylate 62915 LC/MS Neg 100001454 2252 245.1394 16663321 34574-69-1 HMDB00413 3-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 53230 LC/MS Neg 100006367 1725 131.0714 151492 10191-24-9 3-hydroxyhexanoylcarnitine (1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 62557 LC/MS Pos Early 100020825 2918 276.1806 3-hydroxyhippurate Xenobiotics Benzoate Metabolism 39600 LC/MS Neg 100002122 1687 194.0459 450268 1637-75-8 HMDB06116 3-hydroxyhippurate sulfate Xenobiotics Benzoate Metabolism 62530 LC/MS Neg 100020410 1047 274.0027 186339 3-hydroxyindolin-2-one Xenobiotics Food Component/Plant 42561 LC/MS Neg 100003823 2695 148.0404 6097 61-71-2 C11130 3-hydroxyindolin-2-one sulfate Xenobiotics Food Component/Plant 48419 LC/MS Neg 100006103 2082 227.9972 3-hydroxyisobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 1549 LC/MS Polar 111 1619 103.0401 87 2068-83-9 C06001 HMDB00336 3-hydroxykynurenine Amino Acid Tryptophan Metabolism 22110 LC/MS Pos Early 100000986 2536 225.087 89 2147-61-7 C02794 HMDB00732 3-hydroxyphenylacetate Amino Acid Phenylalanine Metabolism 1413 LC/MS Polar 114 1220 151.0401 12122 621-37-4 C05593 HMDB00440 3-hydroxyphenylacetate sulfate Amino Acid Tyrosine Metabolism 52921 LC/MS Neg 100006634 969 230.9969 3-hydroxyphenylacetatoylcarnitine Amino Acid Tyrosine Metabolism 52933 LC/MS Pos Early 100006618 2808 296.1493 3-hydroxyphenylacetoylglutamine Peptide Acetylated Peptides 62733 LC/MS Neg 100019831 1825 279.0986 3-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 38635 LC/MS Pos Early 100002089 1243 132.0655 559314 4298-05-9;4298-08-2 C05147 HMDB02113 3-hydroxypyridine sulfate Xenobiotics Chemical 48448 LC/MS Neg 100006098 1595.5 173.9867 1955-23-3 3-hydroxysebacate Lipid Fatty Acid, Monohydroxy 31943 LC/MS Polar 100001145 2411 217.1081 3017884 73141-46-5 HMDB00350 3-hydroxystachydrine* Xenobiotics Food Component/Plant 62062 LC/MS Pos Early 100020203 1049 160.0968 442640 3-hydroxysuberate Lipid Fatty Acid, Monohydroxy 31936 LC/MS Polar 100001143 3000 189.0768 22328017 73141-47-6 HMDB00325 3-indoxyl sulfate Amino Acid Tryptophan Metabolism 27672 LC/MS Neg 100000467 2222.2 212.0023 10258 2642-37-7 HMDB00682 3-methoxycatechol sulfate (1) Xenobiotics Benzoate Metabolism 48763 LC/MS Neg 100006375 2163 218.9969 3-methoxycatechol sulfate (2) Xenobiotics Benzoate Metabolism 48752 LC/MS Neg 100006376 2200 218.9969 3-methoxytyramine Amino Acid Tyrosine Metabolism 38630 LC/MS Pos Early 118 2635 168.1019 1669 1477-68-5 C05587 HMDB00022 3-methoxytyramine sulfate Amino Acid Tyrosine Metabolism 44618 LC/MS Neg 100004634 1722 246.0442 3-methoxytyrosine Amino Acid Tyrosine Metabolism 12017 LC/MS Pos Early 1342 2555 212.0917 1670 300-48-1 HMDB01434 3-methyl catechol sulfate (1) Xenobiotics Benzoate Metabolism 46165 LC/MS Neg 100004112 2790 203.002 3-methyl catechol sulfate (2) Xenobiotics Benzoate Metabolism 46164 LC/MS Neg 100004110 2860 203.002 3-methyl-2-oxobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 44526 LC/MS Polar 100000936 911 115.0401 49 3715-29-5 C00141 HMDB00019 3-methyl-2-oxovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 15676 LC/MS Neg 100000036 2064.2 129.0557 47 1460-34-0;51829-07-3 C00671 HMDB03736 3-methyladipate Lipid Fatty Acid, Dicarboxylate 36749 LC/MS Polar 100001765 2865 159.0663 12292 1/3/3058 HMDB00555 3-methylcrotonylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 31940 LC/MS Pos Early 100001149 1980 158.0812 169485 33008-07-0 HMDB00459 3-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35132 LC/MS Pos Early 100001466 2176 258.1085 159649 21028-20-6 3-methylglutaconate Amino Acid Leucine, Isoleucine and Valine Metabolism 57747 LC/MS Polar 100002458 2700 99.0452 1551553 5746-90-7 HMDB00522 3-methylglutarate/2-methylglutarate Lipid Fatty Acid, Dicarboxylate 54676 LC/MS Polar 100010834 2832 145.0506 3-methylglutarylcarnitine (2) Amino Acid Leucine, Isoleucine and Valine Metabolism 46548 LC/MS Pos Early 100005850 2687 290.1598 128145 HMDB00552 3-methylhistidine Amino Acid Histidine Metabolism 15677 LC/MS Neg 100000042 906.3 168.0779 64969 368-16-1 C01152 HMDB00479 3-methylurate* Xenobiotics Xanthine Metabolism 48252 LC/MS Neg 100004049 1024 181.0367 11804 605-99-2 3-methylxanthine Xenobiotics Xanthine Metabolism 32445 LC/MS Neg 100001108 1700 165.0418 70639 1076-22-8 C16357 HMDB01886 3-phosphoglycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1414 LC/MS Pos Early 132 590 187.0002 724 80731-10-8 C00597 HMDB00807 3-S-cysteinyl-2-methylpropanoate* Xenobiotics Chemical 62310 LC/MS Pos Early 100020488 2344 208.0638 HMDB30411 3'-sialyllactose Carbohydrate Disaccharides and Oligosaccharides 40424 LC/MS Polar 100003408 3720 632.2044 123914 35890-38-1 HMDB00825 3-ureidoisobutyrate Nucleotide Pyrimidine Metabolism, Uracil containing 57549 LC/MS Pos Early 100001531 1207 147.0764 160663 2905-86-4 C05100 HMDB02031 3-ureidopropionate Nucleotide Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos Early 1053 875 133.0608 111 462-88-4 C02642 HMDB00026 4-acetamidobenzoate Xenobiotics Chemical 57585 LC/MS Neg 100009413 1403 178.051 19266 556-08-1 D03836 4-acetamidobutanoate Amino Acid Polyamine Metabolism 1558 LC/MS Pos Early 1113 1350 146.0812 18189 3025-96-5 C02946 HMDB03681 4-acetamidophenol Xenobiotics Drug - Analgesics, Anesthetics 12032 LC/MS Neg 1383 2173.7 150.0561 1983 103-90-2 C06804 HMDB01859 4-acetamidophenylglucuronide Xenobiotics Drug - Analgesics, Anesthetics 15736 LC/MS Neg 100000043 1400 326.0881 83944 120595-80-4 HMDB10316 4-acetaminophen sulfate Xenobiotics Drug - Analgesics, Anesthetics 37475 LC/MS Neg 2049 1792 230.0129 83939 10066-90-7;32113-41-0 C06804 HMDB59911 4-acetylcatechol sulfate (1) Xenobiotics Food Component/Plant 62798 LC/MS Neg 100020853 1774 230.9969 4-acetylcatechol sulfate (2) Xenobiotics Food Component/Plant 62799 LC/MS Neg 100020854 2193 230.9969 4-acetylphenyl sulfate Xenobiotics Benzoate Metabolism 44620 LC/MS Neg 100000711 2375 215.002 4684006 4-allylphenol sulfate Xenobiotics Food Component/Plant 37181 LC/MS Neg 100001868 3805 213.0227 4-ethylcatechol sulfate Xenobiotics Benzoate Metabolism 63072 LC/MS Neg 100020536 3379 217.0176 4-ethylphenol glucuronide Xenobiotics Benzoate Metabolism 52937 LC/MS Neg 100009049 3167 297.098 4-ethylphenyl sulfate Xenobiotics Benzoate Metabolism 36099 LC/MS Neg 100001756 3580 201.0227 20822574 123-07-9 C13637 HMDB62551 4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos Early 100000096 2320 146.0924 500 463-003;463-00-3 C01035 HMDB03464 4-hydroxybenzoate Xenobiotics Benzoate Metabolism 21133 LC/MS Neg 100000862 820 137.0244 135 99-96-7 C00156 HMDB00500 4-hydroxycatechol sulfate Xenobiotics Benzoate Metabolism 62313 LC/MS Neg 100006169 1210 204.9812 4-hydroxycinnamate sulfate Amino Acid Tyrosine Metabolism 48410 LC/MS Neg 100006095 1000 242.9969 6070438 376374-66-2 4-hydroxycoumarin Xenobiotics Drug - Cardiovascular 37445 LC/MS Neg 100002049 2470 161.0244 54682930 1076-38-6 C20414 4-hydroxyglutamate Amino Acid Glutamate Metabolism 40499 LC/MS Pos Early 100002544 1141 164.0554 439902 2485-33-8 C03079 HMDB01344 4-hydroxyhippurate Xenobiotics Benzoate Metabolism 35527 LC/MS Neg 100001423 1475 194.0459 151012 2482-25-9 HMDB13678 4-hydroxymandelate Xenobiotics Benzoate Metabolism 1568 LC/MS Neg 1115 772.7 167.035 328 7198-10-9;184901-84-6 C03198 HMDB00822 4-hydroxyphenylacetate Amino Acid Phenylalanine Metabolism 541 LC/MS Neg 144 1361 151.0401 127 156-38-7 C00642 HMDB00020 4-hydroxyphenylacetatoylcarnitine Amino Acid Tyrosine Metabolism 52932 LC/MS Pos Early 100006619 2730 296.1493 4-hydroxyphenylacetylglutamine Peptide Acetylated Peptides 55017 LC/MS Neg 100010850 1650 279.0986 4-hydroxyphenylpyruvate Amino Acid Tyrosine Metabolism 1669 LC/MS Neg 1141 1690 179.035 979 156-39-8 C01179 HMDB00707 4'-hydroxypropiophenone sulfate Xenobiotics Chemical 48461 LC/MS Neg 100006269 3012 229.0176 315296 99179-84-7 4-imidazoleacetate Amino Acid Histidine Metabolism 32349 LC/MS Polar 100001207 2236 125.0357 96215 645-65-8 C02835 HMDB02024 4-methoxyphenol sulfate Amino Acid Tyrosine Metabolism 48457 LC/MS Neg 100006262 2412 203.002 3233-60-1 4-methyl-2-oxopentanoate Amino Acid Leucine, Isoleucine and Valine Metabolism 22116 LC/MS Neg 100000551 2170 129.0557 70 816-66-0 C00233 HMDB00695 4-methylcatechol sulfate Xenobiotics Benzoate Metabolism 46146 LC/MS Neg 100004111 2665 203.002 4-methylguaiacol sulfate Xenobiotics Benzoate Metabolism 48418 LC/MS Neg 100006105 2978 217.0176 756760-43-7 4-methylhexanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 62735 LC/MS Neg 100020631 3390 257.1507 4-methylhexanoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 62736 LC/MS Neg 100020632 3550 186.1136 4-octenedioate Lipid Fatty Acid, Dicarboxylate 31941 LC/MS Neg 100001152 740 171.0663 11805205 38561-68-1 HMDB04982 4-ureidobutyrate Nucleotide Pyrimidine Metabolism, Uracil containing 22118 LC/MS Polar 100000718 2217.5 145.0619 1571307 10/1/2609 4-vinylguaiacol sulfate Xenobiotics Food Component/Plant 48442 LC/MS Neg 100006126 3354 229.0176 4-vinylphenol sulfate Xenobiotics Benzoate Metabolism 36098 LC/MS Neg 100001755 3320 199.0071 6426766 2628-17-3 C05627 HMDB62775 5-(galactosylhydroxy)-L-lysine Amino Acid Lysine Metabolism 43582 LC/MS Pos Early 100002462 2755 325.1606 123986 32448-36-5 5,6-dihydrothymine Nucleotide Pyrimidine Metabolism, Thymine containing 1418 LC/MS Neg 158 1637.8 127.0513 93556 696-04-8 C00906 HMDB00079 5,6-dihydrouracil Nucleotide Pyrimidine Metabolism, Uracil containing 1559 LC/MS Neg 1125 1120 113.0357 649 504-07-4 C00429 HMDB00076 5,6-dihydrouridine Nucleotide Pyrimidine Metabolism, Uracil containing 61833 LC/MS Neg 100001425 1119 245.0779 94312 5/4/5627 5-acetylamino-6-amino-3-methyluracil Xenobiotics Xanthine Metabolism 34424 LC/MS Polar 100001403 1710 197.068 88299 1196153-01-1 C16366 HMDB04400 5-acetylamino-6-formylamino-3-methyluracil Xenobiotics Xanthine Metabolism 34401 LC/MS Polar 100001402 1424 225.0629 108214 85438-96-6 C16365 HMDB11105 5alpha-androstan-3beta,17alpha-diol disulfate Lipid Androgenic Steroids 37187 LC/MS Neg 100002021 4215 225.0697 5alpha-androstan-3beta,17beta-diol disulfate Lipid Androgenic Steroids 37190 LC/MS Neg 100001987 3880 225.0697 242332 571-20-0 C12525 HMDB00493 5alpha-pregnan-3beta,20alpha-diol disulfate Lipid Progestin Steroids 37198 LC/MS Neg 100001988 3962 239.0853 5alpha-pregnan-diol disulfate Lipid Progestin Steroids 46172 LC/MS Neg 100002015 4310 239.0853 5127902 5-aminovalerate Amino Acid Lysine Metabolism 18319 LC/MS Pos Early 100000454 2220 118.0863 138 660-88-8 C00431 HMDB03355 5-dodecenoylcarnitine (C12:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 61769 LC/MS Pos Late 100016069 1135 342.2639 HMDB13326 5-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 31938 LC/MS Neg 100001148 1267 131.0714 170748 44843-89-2 HMDB00525 5-hydroxyindole sulfate Amino Acid Tryptophan Metabolism 52914 LC/MS Neg 100009042 1928 212.0023 5-hydroxyindoleacetate Amino Acid Tryptophan Metabolism 437 LC/MS Neg 71 1510.2 190.051 1826 54-16-0 C05635 HMDB00763 5-hydroxylysine Amino Acid Lysine Metabolism 15685 LC/MS Pos Early 100000054 2790 163.1077 1029 13204-98-3 C16741 HMDB00450 5-hydroxymethyl-2-furoic acid Amino Acid Tyrosine Metabolism 42040 LC/MS Neg 100003954 962 141.0193 80642 6338-41-6 C20448 HMDB02432 5-hydroxymethyl-2-furoylcarnitine* Xenobiotics Food Component/Plant 62871 LC/MS Pos Early 100021012 2471 286.1285 5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism 1419 LC/MS Pos Early 212 2752 298.0968 439176 2457-80-9 C00170 HMDB01173 5-methylthioribose Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 62100 LC/MS Pos Early 100002103 790 181.0529 494 23656-67-9 HMDB01087 5-methyluridine (ribothymidine) Nucleotide Pyrimidine Metabolism, Uracil containing 35136 LC/MS Neg 100001446 1778.1 257.0779 445408 1463-10-1 HMDB00884 5-oxoproline Amino Acid Glutathione Metabolism 1494 LC/MS Neg 1021 738.5 128.0353 7405 98-79-3 C01879 HMDB00267 6-bromotryptophan Amino Acid Tryptophan Metabolism 62503 LC/MS Neg 100020414 3565 280.9931 6-hydroxyindole sulfate Xenobiotics Chemical 48698 LC/MS Neg 100006260 2498 212.0023 122198196 6-oxopiperidine-2-carboxylate Amino Acid Lysine Metabolism 43231 LC/MS Polar 100004499 1692 142.051 3014237 34622-39-4 HMDB61705 6'-sialyllactose Carbohydrate Disaccharides and Oligosaccharides 39795 LC/MS Polar 100003132 4064 632.2044 643987 35890-39-2 G00265 HMDB06569 6-sialyl-N-acetyllactosamine Carbohydrate Aminosugar Metabolism 40428 LC/MS Polar 100003259 3641 673.2309 16212424 174757-71-2 HMDB06584 7,8-dihydroneopterin Cofactors and Vitamins Pterin Metabolism 15689 LC/MS Pos Early 100000142 1650 256.104 65074 1218-98-0 C04874 HMDB02275 7-hydroxyindole sulfate Amino Acid Tryptophan Metabolism 52915 LC/MS Neg 100009043 1765 212.0023 7-ketodeoxycholate Lipid Secondary Bile Acid Metabolism 31904 LC/MS Neg 100001063 4821 405.2646 188292 911-40-0 HMDB00391 7-methylguanine Nucleotide Purine Metabolism, Guanine containing 35114 LC/MS Pos Early 100001456 2175 166.0723 11361 578-76-7 C02242 HMDB00897 7-methylguanosine Nucleotide Purine Metabolism, Guanine containing 31580 LC/MS Pos Early 100001118 2214 298.1146 135445750 20241-86-4 C20674 7-methylurate Xenobiotics Xanthine Metabolism 39598 LC/MS Pos Early 100002241 1321 183.0513 69160 612-37-3 C16355 HMDB11107 7-methylxanthine Xenobiotics Xanthine Metabolism 34390 LC/MS Pos Early 100001396 1350 167.0564 68374 552-62-5 C16353 HMDB01991 8-methoxykynurenate Amino Acid Tryptophan Metabolism 62955 LC/MS Neg 100020360 2863 218.0459 76230 2929-14-8 C05830 HMDB60426 abscisate Xenobiotics Food Component/Plant 21156 LC/MS Neg 100000879 3170 263.1289 5280896 14375-45-2 C06082 HMDB35140 acesulfame Xenobiotics Food Component/Plant 48569 LC/MS Neg 100006203 1581 161.9867 36573 55589-62-3 HMDB33585 acetylcarnitine (C2) Lipid Fatty Acid Metabolism (Acyl Carnitine, Short Chain) 32198 LC/MS Pos Early 100000802 2282 204.123 1 5080-50-2 C02571 HMDB00201 acisoga Amino Acid Polyamine Metabolism 43258 LC/MS Neg 100004541 2297 183.1139 129397 106692-36-8 adenine Nucleotide Purine Metabolism, Adenine containing 554 LC/MS Pos Early 880 2221 136.0618 190 73-24-5 C00147 HMDB00034 adenosine Nucleotide Purine Metabolism, Adenine containing 555 LC/MS Pos Early 798 2169 268.104 60961 58-61-7 C00212 HMDB00050 adenosine 3',5'-cyclic monophosphate (cAMP) Nucleotide Purine Metabolism, Adenine containing 2831 LC/MS Neg 207 1952.2 328.0452 6076 60-92-4 C00575 HMDB00058 adipate Lipid Fatty Acid, Dicarboxylate 21134 LC/MS Polar 100000863 3000 145.0506 196 124-04-9 C06104 HMDB00448 adipoylcarnitine (C6-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 52988 LC/MS Pos Early 100006614 2570 290.1598 71296139 HMDB61677 alanine Amino Acid Alanine and Aspartate Metabolism 1126 LC/MS Pos Early 811 1700 90.055 5950 56-41-7 C00041 HMDB00161 allantoic acid Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 33434 LC/MS Polar 218 2960 175.0473 203 99-16-1 C00499 HMDB01209 allantoin Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1107 LC/MS Polar 1002 1672 157.0367 204 97-59-6 C02350 HMDB00462 alliin Xenobiotics Food Component/Plant 41494 LC/MS Pos Early 100003473 1470 178.0532 87310 556-27-4 C08265 HMDB33592 allo-threonine Amino Acid Glycine, Serine and Threonine Metabolism 15142 LC/MS Polar 100000272 2511.1 118.051 99289 28954-12-3 C05519 HMDB04041 alpha-CEHC Cofactors and Vitamins Tocopherol Metabolism 48188 LC/MS Neg 100002206 4045 277.1445 9943542 4072-32-6 HMDB01518 alpha-CEHC glucuronide* Cofactors and Vitamins Tocopherol Metabolism 39346 LC/MS Neg 100003101 2616 453.1766 134819285 477200-36-5 alpha-CEHC glycine* Cofactors and Vitamins Tocopherol Metabolism 62281 LC/MS Neg 100005974 4076 334.166 alpha-CEHC sulfate Cofactors and Vitamins Tocopherol Metabolism 47666 LC/MS Neg 100005972 3090 357.1013 alpha-CEHC taurine* Cofactors and Vitamins Tocopherol Metabolism 62283 LC/MS Neg 100005975 4117 384.1486 alpha-hydroxyisocaproate Amino Acid Leucine, Isoleucine and Valine Metabolism 22132 LC/MS Neg 100000706 1840 131.0714 83697 10303-64-7 C03264 HMDB00746 alpha-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 46537 LC/MS Polar 100001300 1052 117.0557 99823 600-37-3 HMDB00407 alpha-ketoglutaramate* Amino Acid Glutamate Metabolism 62101 LC/MS Polar 100002397 1916 144.0302 48 18465-19-5 alpha-ketoglutarate Energy TCA Cycle 528 LC/MS Polar 93 2700 145.0143 51 305-72-6;328-50-7;22202-68-2 C00026 HMDB00208 andro steroid monosulfate C19H28O6S (1)* Lipid Androgenic Steroids 32827 LC/MS Neg 100002152 3871 383.1534 androstenediol (3alpha, 17alpha) monosulfate (2) Lipid Androgenic Steroids 37207 LC/MS Neg 100002026 4712 369.1741 androstenediol (3beta,17beta) disulfate (1) Lipid Androgenic Steroids 37202 LC/MS Neg 100001992 3740 224.0618 87120982 C04295 HMDB03818 androstenediol (3beta,17beta) disulfate (2) Lipid Androgenic Steroids 37203 LC/MS Neg 100001994 4065 224.0624 androstenediol (3beta,17beta) monosulfate (1) Lipid Androgenic Steroids 37211 LC/MS Neg 100002028 4535 369.1741 13847309 521-17-5 HMDB03818 androstenediol (3beta,17beta) monosulfate (2) Lipid Androgenic Steroids 37210 LC/MS Neg 100002029 4500 369.1741 androsterone glucuronide Lipid Androgenic Steroids 61846 LC/MS Neg 100002761 4953 465.2494 114833 1852-43-3 C11135 HMDB02829 androsterone sulfate Lipid Androgenic Steroids 31591 LC/MS Neg 100001073 5022 369.1741 159663 2479-86-9 HMDB02759 anserine Amino Acid Histidine Metabolism 15747 LC/MS Neg 100000044 1124.8 239.115 112072 10030-52-1 C01262 HMDB00194 anthranilate Amino Acid Tryptophan Metabolism 4970 LC/MS Pos Early 1258 2606 138.055 227 118-92-3 C00108 HMDB01123 arabinose Carbohydrate Pentose Metabolism 575 LC/MS Polar 828 1804.5 195.051 66308 28697-53-2 C00216 HMDB00646 arabitol/xylitol Carbohydrate Pentose Metabolism 48885 LC/MS Polar 100006430 1932.4 151.0612 arabonate/xylonate Carbohydrate Pentose Metabolism 48255 LC/MS Polar 100006115 2700 165.0405 argininate* Amino Acid Urea cycle; Arginine and Proline Metabolism 57461 LC/MS Pos Early 100002769 2150 176.103 160437 157-07-3 HMDB03148 arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos Early 231 2825 175.119 232 1119-34-2 C00062 HMDB00517 argininosuccinate Amino Acid Urea cycle; Arginine and Proline Metabolism 15497 LC/MS Pos Early 232 2745 291.1299 16950 156637-58-0 C03406 HMDB00052 ascorbate (Vitamin C) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 32354 LC/MS Pos Early 233 770 177.0394 54670067 134-03-2 C00072 HMDB00044 asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Pos Early 917 1225 133.0608 6267 70-47-3 C00152 HMDB00168 aspartate Amino Acid Alanine and Aspartate Metabolism 443 LC/MS Pos Early 234 1165 134.0448 5960 56-84-8 C00049 HMDB00191 azelate (C9-DC) Lipid Fatty Acid, Dicarboxylate 18362 LC/MS Neg 2029 1276 187.0976 2266 123-99-9 C08261 HMDB00784 azeloylcarnitine (C9-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 52943 LC/MS Pos Early 100006630 3149 332.2068 benzoate Xenobiotics Benzoate Metabolism 15778 LC/MS Neg 100000008 1750 121.0295 243 65-85-0 C00180 HMDB01870 benzoylcarnitine* Xenobiotics Chemical 43265 LC/MS Pos Early 100004555 3041 266.1387 105450-08-6 beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 55 LC/MS Pos Early 244 1905 90.055 239 56-41-7;107-95-9 C00099 HMDB00056 beta-citrylglutamate Amino Acid Glutamate Metabolism 54923 LC/MS Neg 100003271 530 320.0623 72715786 73590-26-8 C20775 beta-guanidinopropanoate Xenobiotics Food Component/Plant 35101 LC/MS Pos Early 100001411 2145 132.0768 67701 353-09-3 C03065 HMDB13222 beta-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 12129 LC/MS Neg 1442 1027 117.0557 69362 625-08-1 HMDB00754 beta-hydroxyisovaleroylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 35433 LC/MS Pos Early 100001594 2584 262.1649 99159-87-2 betaine Amino Acid Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos Early 799 1064 118.0863 247 107-43-7 C00719 HMDB00043 betonicine Xenobiotics Food Component/Plant 38100 LC/MS Pos Early 100002153 1012 160.0968 164642 515-25-3 C08269 HMDB29412 biopterin Cofactors and Vitamins Tetrahydrobiopterin Metabolism 12358 LC/MS Neg 1548 1398 236.0789 445040 22150-76-1 C06313 HMDB00468 cadaverine Amino Acid Lysine Metabolism 15308 LC/MS Pos Early 100000110 3036 103.123 273 462-94-2;1476-39-7 C01672 HMDB02322 caffeic acid sulfate Xenobiotics Food Component/Plant 53254 LC/MS Polar 100009337 1307 258.9918 HMDB41708 caffeine Xenobiotics Xanthine Metabolism 569 LC/MS Pos Early 849 2106 195.0877 2519 58-08-2 C07481 HMDB01847 carboxyethyl-GABA Amino Acid Glutamate Metabolism 40007 LC/MS Pos Early 100003260 2085 176.0917 2572 3/2/4386 HMDB02201 carboxyibuprofen Xenobiotics Drug - Analgesics, Anesthetics 43333 LC/MS Neg 100004171 1920 235.0976 10444113 15935-54-3 HMDB60564 carboxyibuprofen glucuronide* Xenobiotics Drug - Analgesics, Anesthetics 62067 LC/MS Polar 100020212 2294 411.1297 HMDB60564 carnitine Lipid Carnitine Metabolism 15500 LC/MS Pos Early 100000007 1978 162.1125 10917 461-05-2 C00318 HMDB00062 carnosine Amino Acid Histidine Metabolism 1768 LC/MS Pos Early 249 2942 227.1139 439224 305-84-0 C00386 HMDB00033 catechol glucuronide Amino Acid Tyrosine Metabolism 53243 LC/MS Neg 100009326 1742 285.0616 75124209 catechol sulfate Xenobiotics Benzoate Metabolism 35320 LC/MS Neg 100001605 1906 188.9863 3083879 4918-96-1 HMDB59724 cetirizine Xenobiotics Drug - Respiratory 54745 LC/MS Pos Late 100009034 1052 389.1627 2678 83881-51-0 C07778 HMDB05032 C-glycosyltryptophan Amino Acid Tryptophan Metabolism 48782 LC/MS Neg 100006379 1777 365.1354 10981970 180509-18-6 chiro-inositol Lipid Inositol Metabolism 37112 LC/MS Polar 100001859 3191.2 225.0616 643-12-9 C19891 HMDB34220 cholate Lipid Primary Bile Acid Metabolism 22842 LC/MS Neg 136 5165 407.2803 221493 81-25-4 C00695 HMDB00619 cholic acid glucuronide Lipid Primary Bile Acid Metabolism 62571 LC/MS Neg 100020549 4512 583.3124 choline Lipid Phospholipid Metabolism 15506 LC/MS Pos Early 1256 1961 104.107 305 67-48-1 C00114 HMDB00097 cinnamoylglycine Xenobiotics Food Component/Plant 38637 LC/MS Neg 100002253 3127 204.0666 709625 16534-24-0 HMDB11621 cis-aconitate Energy TCA Cycle 52304 LC/MS Pos Early 1829 864 192.0503 643757 585-84-2 C00417 HMDB00072 cis-urocanate Amino Acid Histidine Metabolism 40410 LC/MS Pos Early 100003425 2406 139.0502 1549103 7699-35-6 HMDB34174 citraconate/glutaconate Energy TCA Cycle 47076 LC/MS Polar 100006438 2600 129.0194 citramalate Amino Acid Glutamate Metabolism 22158 LC/MS Pos Early 100000998 1224 166.071 1081 10/8/6236 C00815 HMDB00426 citrate Energy TCA Cycle 1564 LC/MS Neg 1124 582 191.0197 311 77-92-9 C00158 HMDB00094 citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos Early 391 1520 176.103 9750 372-75-8 C00327 HMDB00904 cortisol Lipid Corticosteroids 1712 LC/MS Neg 356 4710 361.202 5754 50-23-7 C00735 HMDB00063 cortisol 21-glucuronide Lipid Corticosteroids 47400 LC/MS Neg 100005434 4246.5 537.2341 cortisone Lipid Corticosteroids 1769 LC/MS Neg 273 4575 359.1864 222786 53-06-5 C00762 HMDB02802 creatine Amino Acid Creatine Metabolism 27718 LC/MS Pos Early 1221 1947 132.0768 586 57-00-1 C00300 HMDB00064 creatinine Amino Acid Creatine Metabolism 513 LC/MS Pos Early 275 2055 114.0662 588 60-27-5 C00791 HMDB00562 cryptochlorogenic acid Xenobiotics Food Component/Plant 41924 LC/MS Neg 100003802 2087 353.0878 5315599 905-99-7 cyclo(gly-pro) Peptide Dipeptide 37077 LC/MS Pos Early 100001946 1349 155.0815 126154 3705-27-9 cyclo(pro-sulfo-tyr)* Peptide Dipeptide 62840 LC/MS Neg 100020992 2058 339.0656 cystathionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 15705 LC/MS Pos Early 310 2270 223.0747 439258 535-34-2 C02291 HMDB00099 cysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1868 LC/MS Pos Early 800 1475 122.027 5862 52-90-4;56-89-3 C00097 HMDB00574 cysteine s-sulfate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Polar 100000808 2273 199.9693 115015 1637-71-4 C05824 HMDB00731 cysteine-glutathione disulfide Amino Acid Glutathione Metabolism 35159 LC/MS Pos Early 100001437 2465 427.0952 4247235 13081-14-6 HMDB00656 cysteinylglycine Amino Acid Glutathione Metabolism 35637 LC/MS Pos Early 278 2132 179.0485 439498 19246-18-5 C01419 HMDB00078 cysteinylglycine disulfide* Amino Acid Glutathione Metabolism 62103 LC/MS Pos Early 100002466 2547 298.0526 70555-24-7 HMDB00709 cystine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos Early 279 2000 241.0311 67678 56-89-3 C00491 HMDB00192 cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Pos Early 827 2124 244.0928 6175 65-46-3 C00475 HMDB00089 cytosine Nucleotide Pyrimidine Metabolism, Cytidine containing 573 LC/MS Pos Early 881 2060 112.0505 597 71-30-7 C00380 HMDB00630 daidzein Xenobiotics Food Component/Plant 32453 LC/MS Neg 100001219 3566 253.0506 5281708 486-66-8 C10208 HMDB03312 daidzein 7-O-glucuronide Xenobiotics Food Component/Plant 62070 LC/MS Neg 100020206 2580 429.0827 11316354 HMDB41718 daidzein sulfate (1) Xenobiotics Food Component/Plant 48727 LC/MS Neg 100006362 2843 333.0074 daidzein sulfate (2) Xenobiotics Food Component/Plant 48728 LC/MS Neg 100006363 3330 333.0076 decanoylcarnitine (C10) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 33941 LC/MS Pos Late 100001251 1130 316.2482 10245190 1492-27-9 HMDB00651 dehydroascorbate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 34302 LC/MS Neg 301 739.6 173.0092 440667 490-83-5 C05422 HMDB01264 dehydroepiandrosterone glucuronide Lipid Androgenic Steroids 47109 LC/MS Neg 100005405 4510 463.2337 dehydroepiandrosterone sulfate (DHEA-S) Lipid Androgenic Steroids 32425 LC/MS Neg 100000792 4745 367.1585 12594 651-48-9 C04555 HMDB01032 delta-CEHC Cofactors and Vitamins Tocopherol Metabolism 62287 LC/MS Neg 100020416 3422 249.1132 11536125 84599-16-6 delta-CEHC glucuronide Cofactors and Vitamins Tocopherol Metabolism 62286 LC/MS Neg 100020483 2116 425.1453 delta-CEHC sulfate Cofactors and Vitamins Tocopherol Metabolism 62285 LC/MS Neg 100020484 2550 329.0701 deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos Early 100001662 2052 146.1176 134 6249-56-5 C01181 HMDB01161 diacetylspermidine* Amino Acid Polyamine Metabolism 62105 LC/MS Pos Early 100020242 2510 230.1863 87485212 diglycerol Xenobiotics Chemical 40700 LC/MS Neg 100003700 1078 165.0768 42953 627-82-7 dihydrobiopterin Cofactors and Vitamins Tetrahydrobiopterin Metabolism 35129 LC/MS Neg 100001506 1552 194.0683 1879 6779-87-9 C00268 HMDB00038 dihydrocaffeate sulfate (2) Xenobiotics Food Component/Plant 62524 LC/MS Neg 100020822 930 261.0074 dihydroferulate Xenobiotics Food Component/Plant 40481 LC/MS Neg 100003432 1928 195.0663 14340 1135-23-5 dihydroferulic acid sulfate Xenobiotics Food Component/Plant 62857 LC/MS Neg 100020272 1310 275.0231 187489 HMDB41724 dihydroorotate Nucleotide Pyrimidine Metabolism, Orotate containing 601 LC/MS Polar 923 1910 157.0255 648 155-54-4 C00337 HMDB03349 dimethyl sulfone Xenobiotics Chemical 43424 LC/MS Pos Early 100004284 832 95.0161 6213 67-71-0 C11142 HMDB04983 dimethylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 15743 LC/MS Polar 100000040 4590 201.1357 123831 65005-57-4 C03626 HMDB01539 dimethylarginine (ADMA + SDMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos Early 100001810 2850 203.1503 123831 102783-24-4 C03626 HMDB01539 dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos Early 806 1104 104.0706 673 1118-68-9 C01026 HMDB00092 dimethylmalonic acid Lipid Fatty Acid, Dicarboxylate 42978 LC/MS Polar 100004251 2702 131.035 11686 595-46-0 HMDB02001 dopamine Amino Acid Tyrosine Metabolism 12130 LC/MS Pos Early 1748 2385 154.0863 681 62-31-7 C03758 HMDB00073 dopamine 3-O-sulfate Amino Acid Tyrosine Metabolism 48407 LC/MS Neg 100006361 1556.2 232.0285 122136 C13690 HMDB06275 dopamine 4-sulfate Amino Acid Tyrosine Metabolism 48406 LC/MS Neg 100006360 1511 232.0285 123932 C13691 HMDB04148 ectoine Xenobiotics Chemical 35651 LC/MS Pos Early 100001635 1980 143.0815 126041 96702-03-3 C06231 enterolactone Xenobiotics Food Component/Plant 39626 LC/MS Neg 100003070 4515 297.1132 10685477 78473-71-9 epiandrosterone glucuronide Lipid Androgenic Steroids 47111 LC/MS Neg 100005400 4642 465.2494 10298641 4271-00-5 epiandrosterone sulfate Lipid Androgenic Steroids 33973 LC/MS Neg 100001287 4855 369.1741 9929317 22229-22-7 equol glucuronide Xenobiotics Food Component/Plant 41948 LC/MS Neg 100003895 3215 417.1191 equol sulfate Xenobiotics Food Component/Plant 40478 LC/MS Neg 100003429 3630 321.0438 erythritol Xenobiotics Food Component/Plant 20699 LC/MS Polar 100000846 1491 167.0561 222285 149-32-6 C00503 HMDB02994 erythronate* Carbohydrate Aminosugar Metabolism 42420 LC/MS Polar 100001320 2186 135.0299 2781043 88759-55-1 HMDB00613 ethyl glucuronide Xenobiotics Chemical 39603 LC/MS Neg 100002849 793 221.0667 152226 17685-04-0 HMDB10325 ethyl maltol sulfate Xenobiotics Food Component/Plant 62314 LC/MS Neg 100006255 2010 218.9969 ethylmalonate Amino Acid Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 2054 2785 131.035 11756 601-75-2 HMDB00622 etiocholanolone glucuronide Lipid Androgenic Steroids 47112 LC/MS Neg 100005403 4915 465.2494 270605 9/3/3602 HMDB04484 eugenol sulfate Xenobiotics Food Component/Plant 48715 LC/MS Neg 100006171 3782 243.0333 180632 95480-60-7 ferulate Xenobiotics Food Component/Plant 35630 LC/MS Neg 100001542 1755 193.0506 445858 537-98-4 C01494 HMDB00954 ferulic acid 4-sulfate Xenobiotics Food Component/Plant 47114 LC/MS Neg 100005389 1200 273.0074 6305574 86321-29-1 HMDB29200 ferulylglycine (1) Xenobiotics Food Component/Plant 54936 LC/MS Neg 100010912 2239 250.0721 ferulylglycine (2) Xenobiotics Food Component/Plant 54937 LC/MS Neg 100010913 2172 250.0721 fluconazole Xenobiotics Drug - Antibiotic 57707 LC/MS Neg 100015972 3564 305.0968 3365 86386-73-4 D00322 HMDB14342 formiminoglutamate Amino Acid Histidine Metabolism 43493 LC/MS Pos Early 100002500 1880 175.0713 439233 816-90-0 C00439 HMDB00854 fructose Carbohydrate Fructose, Mannose and Galactose Metabolism 48195 LC/MS Polar 878 2065 225.0616 5984 57-48-7 C00095 HMDB00660 fucitol Xenobiotics Food Component/Plant 38313 LC/MS Neg 100002455 816.1 165.0768 3429 13074-06-1 fucose Carbohydrate Aminosugar Metabolism 15587 LC/MS Pos Early 918 750 164.0917 17106 2438-80-4 C01018 HMDB00174 fumarate Energy TCA Cycle 1643 LC/MS Polar 330 3084 115.0037 444972 100-17-8 C00122 HMDB00134 furaneol sulfate Xenobiotics Food Component/Plant 54795 LC/MS Neg 100009328 1900 206.9969 galactonate Carbohydrate Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 100001026 3085 195.051 128869 299-28-5 C00880 HMDB00565 galactosylglycerol Lipid Galactosyl Glycerolipids 57345 LC/MS Polar 100003064 2518 299.0984 16048618 16232-91-0 C05401 HMDB06790 gamma-carboxyglutamate Amino Acid Glutamate Metabolism 38754 LC/MS Pos Early 100002679 903 192.0503 40772 56271-99-9 HMDB41900 gamma-CEHC Cofactors and Vitamins Tocopherol Metabolism 44876 LC/MS Neg 100002094 3843 263.1289 133098 178167-75-4 HMDB01931 gamma-CEHC glucuronide* Cofactors and Vitamins Tocopherol Metabolism 42381 LC/MS Neg 100004243 2500 439.161 gamma-CEHC glycine* Cofactors and Vitamins Tocopherol Metabolism 62284 LC/MS Neg 100020481 3900 320.1503 gamma-CEHC sulfate Cofactors and Vitamins Tocopherol Metabolism 62280 LC/MS Neg 100020480 2850 343.0857 gamma-CEHC taurine* Cofactors and Vitamins Tocopherol Metabolism 62282 LC/MS Neg 100020482 3917 370.133 gamma-glutamyl-epsilon-lysine Peptide Gamma-glutamyl Amino Acid 33934 LC/MS Pos Early 100001262 2725 276.1554 7015685 17105-15-6 HMDB03869 gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid 2730 LC/MS Pos Early 1140 1430 276.119 150914 10148-81-9 C05283 HMDB11738 gamma-glutamylglycine Peptide Gamma-glutamyl Amino Acid 33949 LC/MS Pos Early 100001294 1535 205.0819 165527 1948-29-4 HMDB11667 gamma-glutamylhistidine Peptide Gamma-glutamyl Amino Acid 18245 LC/MS Pos Early 1235 2740 285.1194 7017195 37460-15-4 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 151023 2566-39-4 HMDB11171 gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid 33422 LC/MS Pos Early 100000491 2992 295.1289 111299 7432-24-8 HMDB00594 gamma-glutamylthreonine Peptide Gamma-glutamyl Amino Acid 33364 LC/MS Pos Early 100001314 1750 249.1081 76078708 5652-48-2 HMDB29159 gamma-glutamyltyrosine Peptide Gamma-glutamyl Amino Acid 2734 LC/MS Neg 1102 1240 309.1092 94340 7432-23-7 HMDB11741 gamma-glutamylvaline Peptide Gamma-glutamyl Amino Acid 43829 LC/MS Pos Early 100001126 2700 247.1289 7015683 2746-34-1 HMDB11172 genistein Xenobiotics Food Component/Plant 32448 LC/MS Neg 100001221 3754 269.0455 5280961 446-72-0 C06563 HMDB03217 genistein glucuronide* Xenobiotics Food Component/Plant 62063 LC/MS Neg 100020216 2895 445.0776 genistein sulfate* Xenobiotics Food Component/Plant 62061 LC/MS Neg 100020207 3616 349.0024 gentisate Amino Acid Tyrosine Metabolism 18280 LC/MS Neg 100000447 1459.8 153.0193 3469 490-79-9 C00628 HMDB00152 gentisic acid-5-glucoside Xenobiotics Chemical 48729 LC/MS Neg 100006372 1434 315.0722 10914066 1820-89-9 glucarate (saccharate) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 1476 LC/MS Polar 1020 3850 209.0303 33037 5793-88-4 C00818 HMDB00663 glucoheptose Xenobiotics Food Component/Plant 20705 LC/MS Polar 100000852 2573 209.0667 71306729 62475-58-5 gluconate Xenobiotics Food Component/Plant 587 LC/MS Polar 338 2922 195.051 10690 527-07-1 C00257 HMDB00625 glucose Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48152 LC/MS Polar 572 2342 225.0616 5793 50-99-7 C00031 HMDB00122 glucuronate Carbohydrate Aminosugar Metabolism 15443 LC/MS Polar 100000257 3233.3 193.0354 444791 207300-70-7 C00191 HMDB00127 glucuronide of C10H14O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 61893 LC/MS Neg 100019994 3194 341.1242 glucuronide of C10H14O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 61894 LC/MS Neg 100020020 3154 341.1242 glucuronide of C10H18O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 61881 LC/MS Neg 100019990 2728 345.1555 glucuronide of C10H18O2 (10)* Partially Characterized Molecules Partially Characterized Molecules 61890 LC/MS Neg 100020017 4622 345.1555 glucuronide of C10H18O2 (11)* Partially Characterized Molecules Partially Characterized Molecules 61891 LC/MS Neg 100020018 4680 345.1555 glucuronide of C10H18O2 (12)* Partially Characterized Molecules Partially Characterized Molecules 61892 LC/MS Neg 100020019 4760 345.1555 glucuronide of C10H18O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 61882 LC/MS Neg 100019991 2885 345.1555 glucuronide of C10H18O2 (3)* Partially Characterized Molecules Partially Characterized Molecules 61883 LC/MS Neg 100019992 2990 345.1555 glucuronide of C10H18O2 (4)* Partially Characterized Molecules Partially Characterized Molecules 61884 LC/MS Neg 100020011 3460 345.1555 glucuronide of C10H18O2 (5)* Partially Characterized Molecules Partially Characterized Molecules 61885 LC/MS Neg 100020012 3582 345.1555 glucuronide of C10H18O2 (6)* Partially Characterized Molecules Partially Characterized Molecules 61886 LC/MS Neg 100020013 3750 345.1555 glucuronide of C10H18O2 (7)* Partially Characterized Molecules Partially Characterized Molecules 61887 LC/MS Neg 100020014 3790 345.1555 glucuronide of C10H18O2 (8)* Partially Characterized Molecules Partially Characterized Molecules 61888 LC/MS Neg 100020015 3865 345.1555 glucuronide of C12H20O3 (1)* Partially Characterized Molecules Partially Characterized Molecules 61964 LC/MS Neg 100019997 3728 387.1661 glucuronide of C12H20O3 (2)* Partially Characterized Molecules Partially Characterized Molecules 61965 LC/MS Neg 100020092 3815 387.1661 glucuronide of C12H20O3 (3)* Partially Characterized Molecules Partially Characterized Molecules 61968 LC/MS Neg 100020093 3900 387.1661 glucuronide of C12H20O3 (4)* Partially Characterized Molecules Partially Characterized Molecules 61966 LC/MS Neg 100020094 3992 387.1661 glucuronide of C12H20O3 (5)* Partially Characterized Molecules Partially Characterized Molecules 61967 LC/MS Neg 100020095 4102 387.1661 glucuronide of C12H22O3 (1)* Partially Characterized Molecules Partially Characterized Molecules 61902 LC/MS Neg 100019995 3350 389.1817 glucuronide of C12H22O4 (1)* Partially Characterized Molecules Partially Characterized Molecules 61874 LC/MS Neg 100019984 2590 405.1766 glucuronide of C12H22O4 (2)* Partially Characterized Molecules Partially Characterized Molecules 61875 LC/MS Neg 100019985 2700 405.1766 glucuronide of C14H22O4 (1)* Partially Characterized Molecules Partially Characterized Molecules 61969 LC/MS Neg 100019998 3891 429.1766 glucuronide of C14H22O4 (2)* Partially Characterized Molecules Partially Characterized Molecules 61970 LC/MS Neg 100020096 3932 429.1766 glucuronide of C14H22O4 (3)* Partially Characterized Molecules Partially Characterized Molecules 61971 LC/MS Neg 100020097 4485 429.1766 glucuronide of C14H26O4 (1)* Partially Characterized Molecules Partially Characterized Molecules 61876 LC/MS Neg 100019986 3200 433.2079 glucuronide of C14H26O4 (2)* Partially Characterized Molecules Partially Characterized Molecules 61877 LC/MS Neg 100020009 3300 433.2079 glucuronide of C16H30O4 (1)* Partially Characterized Molecules Partially Characterized Molecules 61880 LC/MS Neg 100019989 4215 461.2392 glucuronide of C19H28O4 (1)* Partially Characterized Molecules Partially Characterized Molecules 61879 LC/MS Neg 100019987 3400 495.2236 glucuronide of C19H28O4 (2)* Partially Characterized Molecules Partially Characterized Molecules 61878 LC/MS Neg 100019988 3600 495.2236 glucuronide of C8H14O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 61903 LC/MS Neg 100019996 3679 317.1242 glucuronide of C8H14O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 61904 LC/MS Neg 100020028 3730 317.1242 glucuronide of C8H14O2 (3)* Partially Characterized Molecules Partially Characterized Molecules 61905 LC/MS Neg 100020029 3791 317.1242 glucuronide of C8H14O2 (4)* Partially Characterized Molecules Partially Characterized Molecules 61906 LC/MS Neg 100020030 3892 317.1242 glucuronide of C8H14O2 (5)* Partially Characterized Molecules Partially Characterized Molecules 61963 LC/MS Neg 100020031 3943 317.1242 glucuronide of C8H14O2 (6)* Partially Characterized Molecules Partially Characterized Molecules 61961 LC/MS Neg 100020032 4027 317.1242 glucuronide of C8H16O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 61973 LC/MS Neg 100020099 4380 319.1399 glucuronide of C8H18O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 61900 LC/MS Neg 100019993 3218 321.1555 glucuronide of C8H18O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 61901 LC/MS Neg 100020027 3300 321.1555 glucuronide of C9H10O4 (1)* Partially Characterized Molecules Partially Characterized Molecules 61972 LC/MS Neg 100020001 2175 357.0827 glucuronide of piperine metabolite C17H21NO3 (1)* Xenobiotics Food Component/Plant 62288 LC/MS Neg 100020489 3814 462.177 glucuronide of piperine metabolite C17H21NO3 (2)* Xenobiotics Food Component/Plant 62289 LC/MS Neg 100020490 3918 462.177 glucuronide of piperine metabolite C17H21NO3 (3)* Xenobiotics Food Component/Plant 62290 LC/MS Neg 100020491 3951 462.177 glucuronide of piperine metabolite C17H21NO3 (4)* Xenobiotics Food Component/Plant 62291 LC/MS Neg 100020492 3992 462.177 glucuronide of piperine metabolite C17H21NO3 (5)* Xenobiotics Food Component/Plant 62292 LC/MS Neg 100020493 4039 462.177 glucuronide of piperine metabolite C17H21NO3 (6)* Xenobiotics Food Component/Plant 62293 LC/MS Neg 100020494 4136 462.177 glutamate Amino Acid Glutamate Metabolism 57 LC/MS Pos Early 561 1500 148.0604 611 56-86-0 C00025 HMDB00148 glutamine Amino Acid Glutamate Metabolism 53 LC/MS Pos Early 563 1291 147.0764 5961 56-85-9 C00064 HMDB00641 glutamine conjugate of C8H12O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 62142 LC/MS Neg 100020257 3105 267.135 glutamine conjugate of C8H12O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 62143 LC/MS Neg 100020258 3239 267.135 glutamine conjugate of C8H12O2 (3)* Partially Characterized Molecules Partially Characterized Molecules 62144 LC/MS Neg 100020267 3366 267.135 glutamine conjugate of C8H12O4 (1)* Partially Characterized Molecules Partially Characterized Molecules 62140 LC/MS Neg 100020265 940 299.1249 glutamine conjugate of C8H12O4 (2)* Partially Characterized Molecules Partially Characterized Molecules 62141 LC/MS Neg 100020268 1143 299.1249 glutarate (C5-DC) Lipid Fatty Acid, Dicarboxylate 396 LC/MS Polar 339 2900 131.035 743 110-94-1 C00489 HMDB00661 glutarylcarnitine (C5-DC) Amino Acid Lysine Metabolism 44664 LC/MS Pos Early 100001593 2393 276.1442 71464488 102636-82-8 HMDB13130 glycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1572 LC/MS Polar 1052 2070.4 105.0193 752 600-19-1 C00258 HMDB00139 glycerol Lipid Glycerolipid Metabolism 15122 LC/MS Neg 1254 758 91.0401 753 56-81-5 C00116 HMDB00131 glycerol 3-phosphate Lipid Glycerolipid Metabolism 43847 LC/MS Pos Early 100000258 580 173.021 754 29849-82-9 C00093 HMDB00126 glycerophosphoethanolamine Lipid Phospholipid Metabolism 37455 LC/MS Polar 100001620 3075 214.0486 123874 33049-08-0 C01233 HMDB00114 glycerophosphoglycerol Lipid Glycerolipid Metabolism 48857 LC/MS Polar 100001619 2430 245.0432 439964 C03274 glycerophosphoinositol* Lipid Phospholipid Metabolism 52307 LC/MS Pos Early 100001621 516 335.0738 167572 16824-65-0 glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Pos Early 100000269 672 258.1101 71920 28319-77-9 C00670 HMDB00086 glycerophosphoserine* Lipid Phospholipid Metabolism 57404 LC/MS Pos Early 100015666 577 260.053 3081457 glycine Amino Acid Glycine, Serine and Threonine Metabolism 58 LC/MS Pos Early 340 1375 76.0393 750 56-40-6 C00037 HMDB00123 glycine conjugate of C10H12O2* Partially Characterized Molecules Partially Characterized Molecules 62145 LC/MS Neg 100020253 4005 220.0979 glycine conjugate of C10H14O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 62146 LC/MS Neg 100020254 4335 222.1136 glycine conjugate of C10H14O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 62147 LC/MS Neg 100020266 4398 222.1136 glycine conjugate of C9H16O2* Partially Characterized Molecules Partially Characterized Molecules 62119 LC/MS Neg 100020256 4120 212.1292 glyco-beta-muricholate Lipid Primary Bile Acid Metabolism 62066 LC/MS Neg 100020214 4762 464.3018 glycochenodeoxycholate Lipid Primary Bile Acid Metabolism 32346 LC/MS Neg 1628 5236.1 448.3068 12544 16564-43-5 C05466 HMDB00637 glycochenodeoxycholate 3-sulfate Lipid Primary Bile Acid Metabolism 52974 LC/MS Neg 100006641 4820 263.6282 glycochenodeoxycholate glucuronide (1) Lipid Primary Bile Acid Metabolism 52983 LC/MS Neg 100009264 4806 311.6658 glycocholate Lipid Primary Bile Acid Metabolism 18476 LC/MS Neg 342 5163 464.3018 10140 475-31-0;863-57-0 C01921 HMDB00138 glycocholate glucuronide (1) Lipid Primary Bile Acid Metabolism 52977 LC/MS Neg 100009259 4533 640.3339 glycocholenate sulfate* Lipid Secondary Bile Acid Metabolism 32599 LC/MS Neg 100001989 4750 254.6229 glycodeoxycholate Lipid Secondary Bile Acid Metabolism 18477 LC/MS Neg 100000436 5281 448.3068 3035026 360-65-6 C05464 HMDB00631 glycodeoxycholate 3-sulfate Lipid Secondary Bile Acid Metabolism 52975 LC/MS Neg 100006642 4875 263.6282 glycohyocholate Lipid Secondary Bile Acid Metabolism 42574 LC/MS Neg 100004083 5020 464.3018 glycolate (hydroxyacetate) Xenobiotics Chemical 15737 LC/MS Polar 203 1790.4 159.0107 757 79-14-1 C00160 HMDB00115 glycolithocholate sulfate* Lipid Secondary Bile Acid Metabolism 32620 LC/MS Neg 100001657 5011 255.6307 72222 15324-64-8 C11301 HMDB02639 glycoursodeoxycholate Lipid Secondary Bile Acid Metabolism 39379 LC/MS Neg 100002911 5033 448.3068 12310288 64480-66-6 HMDB00708 guaiacol sulfate Xenobiotics Benzoate Metabolism 46111 LC/MS Neg 100004208 2344 203.002 22473 HMDB60013 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Polar 344 2884 116.0466 763 352-97-6 C00581 HMDB00128 guanidinosuccinate Amino Acid Guanidino and Acetamido Metabolism 32446 LC/MS Polar 100001212 3550 174.052 97856 6133-30-8 C03139 HMDB03157 guanine Nucleotide Purine Metabolism, Guanine containing 32352 LC/MS Neg 172 1330 150.0421 764 73-40-5 C00242 HMDB00132 guanosine Nucleotide Purine Metabolism, Guanine containing 1573 LC/MS Neg 1099 1662 282.0844 6802 118-00-3 C00387 HMDB00133 guanosine-3',5'-cyclic monophosphate (cGMP) Nucleotide Purine Metabolism, Guanine containing 2827 LC/MS Neg 104 1593 344.0402 24316 7665-99-8 C00942 HMDB01314 gulonate* Cofactors and Vitamins Ascorbate and Aldarate Metabolism 46957 LC/MS Polar 100001586 2750 195.051 152304 20246-53-1 C00257 HMDB03290 heptanoate (7:0) Lipid Medium Chain Fatty Acid 1644 LC/MS Neg 925 3670 129.0921 8094 111-14-8 C17714 HMDB00666 heptanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 54918 LC/MS Neg 100001745 3526 257.1507 heptenedioate (C7:1-DC)* Lipid Fatty Acid, Dicarboxylate 61866 LC/MS Polar 100019981 2816 157.0506 hexanoylcarnitine (C6) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 32328 LC/MS Pos Early 100000781 3358 260.1856 6426853 6920-35-0 HMDB00705 hexanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 54907 LC/MS Neg 100001733 2780 243.135 hexanoylglycine (C6) Lipid Fatty Acid Metabolism (Acyl Glycine) 35436 LC/MS Neg 100001527 2900 172.0979 99463 24003-67-6 HMDB00701 hippurate Xenobiotics Benzoate Metabolism 15753 LC/MS Pos Early 100000014 2116 180.0655 464 495-69-2 C01586 HMDB00714 histamine Amino Acid Histidine Metabolism 1574 LC/MS Pos Early 354 3035 112.0869 774 51-45-6 C00388 HMDB00870 histidine Amino Acid Histidine Metabolism 59 LC/MS Neg 355 755.9 154.0622 6274 5934-29-2 C00135 HMDB00177 histidine betaine (hercynine)* Xenobiotics Food Component/Plant 62278 LC/MS Pos Early 100004059 2094 198.1237 3083620 534-30-5 homoarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 22137 LC/MS Pos Early 100000961 2882 189.1346 9085 156-86-5 C01924 HMDB00670 homocarnosine Amino Acid Histidine Metabolism 1633 LC/MS Neg 41 820 239.115 10243361 3650-73-5 C00884 HMDB00745 homocitrate Xenobiotics Food Component/Plant 39601 LC/MS Pos Early 100002554 1179 224.0765 439459 320573-06-6 C01251 HMDB03518 homocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 22138 LC/MS Neg 100000963 789 188.1041 65072 1190-49-4 C02427 HMDB00679 homoserine Amino Acid Glycine, Serine and Threonine Metabolism 18351 LC/MS Polar 100000458 2875.8 118.051 12647 672-15-1 C00263 HMDB00719 homostachydrine* Xenobiotics Food Component/Plant 33009 LC/MS Pos Early 100001550 1750 158.1176 441447 1195-94-4 C08283 HMDB33433 homovanillate (HVA) Amino Acid Tyrosine Metabolism 1101 LC/MS Neg 117 1649 181.0506 1738 306-08-1 C05582 HMDB00118 homovanillate sulfate Amino Acid Tyrosine Metabolism 38349 LC/MS Neg 100002250 1047 261.0074 29981063 38339-06-9 HMDB11719 hydantoin-5-propionate Amino Acid Histidine Metabolism 40473 LC/MS Polar 100002514 2080 171.0411 782 5624-26-0 C05565 HMDB01212 hydroquinone sulfate Xenobiotics Drug - Topical Agents 35322 LC/MS Neg 100001604 1395 188.9863 161220 123-31-9 C00530 HMDB02434 hydroxyasparagine Amino Acid Alanine and Aspartate Metabolism 62060 LC/MS Pos Early 100020205 1149 149.0557 97663 C03124 HMDB32332 hydroxy-N6,N6,N6-trimethyllysine* Amino Acid Lysine Metabolism 62959 LC/MS Pos Early 100021123 2759 205.1547 hypotaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Pos Early 358 724 110.027 107812 300-84-5 C00519 HMDB00965 hypoxanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3127 LC/MS Neg 171 1291.2 135.0312 790 68-94-0 C00262 HMDB00157 ibuprofen acyl glucuronide Xenobiotics Drug - Analgesics, Anesthetics 45472 LC/MS Neg 100002406 4855 381.1555 163959 115075-59-7 imidazole lactate Amino Acid Histidine Metabolism 15716 LC/MS Pos Early 100000263 2040 157.0608 793 14403-45-3 C05568 HMDB02320 imidazole propionate Amino Acid Histidine Metabolism 40730 LC/MS Pos Early 100003434 2263 141.0659 70630 1074-59-5 HMDB02271 indole-3-carboxylate Amino Acid Tryptophan Metabolism 38116 LC/MS Neg 100002185 1710 160.0404 69867 771-50-6 C19837 HMDB03320 indoleacetate Amino Acid Tryptophan Metabolism 27513 LC/MS Neg 100001034 2200 174.0561 802 6505-45-9 C00954 HMDB00197 indoleacetoylcarnitine* Amino Acid Tryptophan Metabolism 62279 LC/MS Pos Early 100020479 3114 319.1652 indoleacetylglutamine Amino Acid Tryptophan Metabolism 42087 LC/MS Neg 100001731 2535 302.1146 25200879 HMDB13240 indoleacetylglycine Amino Acid Tryptophan Metabolism 54730 LC/MS Neg 100006730 2610 231.0775 446640 indolelactate Amino Acid Tryptophan Metabolism 18349 LC/MS Neg 100000463 2286 204.0666 92904 832-97-3 C02043 HMDB00671 indolepropionylglycine Amino Acid Tryptophan Metabolism 54917 LC/MS Neg 100010863 2926 245.0932 7677842 indolin-2-one Xenobiotics Food Component/Plant 43374 LC/MS Pos Early 100004318 2575 134.06 321710 59-48-3 C12312 indoxyl glucuronide Amino Acid Tryptophan Metabolism 52749 LC/MS Neg 100008931 1940 308.0776 2733785 35804-66-1 HMDB59804 inosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1123 LC/MS Neg 361 1602.1 267.0735 6021 58-63-9 C00294 HMDB00195 isobutyrylcarnitine (C4) Amino Acid Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos Early 100001055 2810 232.1543 168379 25518-49-4 HMDB00736 isobutyrylglycine (C4) Amino Acid Leucine, Isoleucine and Valine Metabolism 35437 LC/MS Neg 100001590 1420 144.0666 10855600 15926-18-8 HMDB00730 isocaproylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 61811 LC/MS Neg 100019815 2720 243.135 isocaproylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 61789 LC/MS Neg 100019816 2820 172.0979 28777652 isocitrate Energy TCA Cycle 12110 LC/MS Pos Early 1206 773 210.0608 1198 20226-99-7 C00311 HMDB00193 isocitric lactone Energy TCA Cycle 54724 LC/MS Polar 100009239 2970 173.0092 98259 4702-32-3 isoeugenol sulfate Xenobiotics Food Component/Plant 48997 LC/MS Neg 100006089 3893 243.0333 isoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos Early 376 2800 132.1019 6306 73-32-5 C00407 HMDB00172 isoleucylhydroxyproline* Peptide Dipeptide Derivative 63051 LC/MS Pos Early 100021262 2707 245.1496 HMDB28908 isovalerylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos Early 100001393 3085 246.17 6426851 31023-24-2 HMDB00688 isovalerylglutamine Amino Acid Leucine, Isoleucine and Valine Metabolism 54913 LC/MS Neg 100010859 1956 229.1194 isovalerylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35107 LC/MS Neg 100001452 1950 158.0823 546304 16284-60-9 HMDB00678 isoxanthopterin Cofactors and Vitamins Pterin Metabolism 27732 LC/MS Pos Early 100000749 1110 180.0516 10729 529-69-1 C03975 HMDB00704 I-urobilinogen Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 32426 LC/MS Neg 100001226 4190 591.3188 26818 14684-37-8 C05790 HMDB04157 kynurenate Amino Acid Tryptophan Metabolism 1417 LC/MS Pos Early 98 2385 190.0499 3845 492-27-3 C01717 HMDB00715 kynurenine Amino Acid Tryptophan Metabolism 15140 LC/MS Pos Early 100000265 2739 209.0921 161166 2922-83-0 C00328 HMDB00684 lactate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Polar 482 1469 89.0244 612 79-33-4 C00186 HMDB00190 lactose Carbohydrate Disaccharides and Oligosaccharides 567 LC/MS Polar 393 3500 387.1144 84571 5965-66-2 C00243 HMDB00186 lanthionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42002 LC/MS Pos Early 100003892 1730 209.0591 98504 8/2/3183 laurylcarnitine (C12) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 34534 LC/MS Pos Late 100001392 1235 344.2795 10427569 25518-54-1 HMDB02250 leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos Early 397 2864 132.1019 6106 61-90-5 leucylhydroxyproline* Peptide Dipeptide Derivative 63052 LC/MS Pos Early 100021261 2753 245.1496 20847829 HMDB28930 levulinate (4-oxovalerate) Xenobiotics Food Component/Plant 22177 LC/MS Neg 100000765 934.6 115.0401 11579 123-76-2 HMDB00720 lithocholate sulfate (1) Lipid Secondary Bile Acid Metabolism 62526 LC/MS Neg 100020823 4811 227.12 L-urobilin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 40173 LC/MS Pos Late 100002568 901 595.349 5280818 34217-90-8 C05793 HMDB04159 lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos Early 407 2850 147.1128 5962 56-87-1 C00047 HMDB00182 malate Energy TCA Cycle 1303 LC/MS Polar 409 3343.1 133.0143 525 6915-15-7 C00149 HMDB00156 maleate Lipid Fatty Acid, Dicarboxylate 20676 LC/MS Polar 100000707 2640 115.0037 444266 110-16-7 C01384 HMDB00176 malonate Lipid Fatty Acid Synthesis 15872 LC/MS Polar 818 3447 103.0037 867 141-82-2;26522-22-85-0 C00383 HMDB00691 malonylcarnitine Lipid Fatty Acid Synthesis 37059 LC/MS Pos Early 100001526 2086 248.1129 22833583 853728-01-5 HMDB02095 mandelate Xenobiotics Benzoate Metabolism 22160 LC/MS Polar 100000710 922 151.0401 1292 90-64-2 C01984 HMDB00703 mannitol/sorbitol Carbohydrate Fructose, Mannose and Galactose Metabolism 46142 LC/MS Polar 100001740 2320 181.0718 5780 C00794 HMDB00247 mannonate* Xenobiotics Food Component/Plant 62864 LC/MS Polar 100003695 2736 195.051 3246006 642-99-9 mannose Carbohydrate Fructose, Mannose and Galactose Metabolism 48153 LC/MS Polar 803 2200 225.0616 18950 3458-28-4 C00159 HMDB00169 mesaconate (methylfumarate) Energy TCA Cycle 18493 LC/MS Polar 100000446 3000 129.0193 638129 498-24-8 C01732 HMDB00749 methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Neg 415 1147 148.0438 6137 63-68-3 C00073 HMDB00696 methionine sulfone Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Pos Early 100004635 1250 182.0482 69961 820-10-0 methionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos Early 100000039 1272 166.0533 158980 3226-65-1 C02989 HMDB02005 methyl indole-3-acetate Xenobiotics Food Component/Plant 1584 LC/MS Pos Early 1104 3380 190.0863 74706 1912-33-0 HMDB29738 methyl-4-hydroxybenzoate sulfate Xenobiotics Benzoate Metabolism 48429 LC/MS Neg 100006116 2873 230.9969 methylmalonate (MMA) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1496 LC/MS Polar 418 3078.4 117.0193 487 516-05-2 C02170 HMDB00202 methylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 15745 LC/MS Polar 2051 2800 131.035 10349 498-21-5 HMDB01844 methylsuccinoylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 53031 LC/MS Pos Early 100009275 2589 276.1442 methylurea Amino Acid Urea cycle; Arginine and Proline Metabolism 34378 LC/MS Pos Early 100001401 807 75.0553 11719 598-50-5 C16363 mevalonate Lipid Mevalonate Metabolism 39583 LC/MS Neg 30 860 147.0663 439230 96949-03-0 C02104 HMDB00227 mevalonolactone Lipid Mevalonate Metabolism 48118 LC/MS Pos Early 100000772 1375 131.0703 10428 674-26-0 HMDB06024 m-tyramine Amino Acid Tyrosine Metabolism 39581 LC/MS Pos Early 100002797 2701 138.0913 11492 588-05-6 HMDB04989 m-tyramine sulfate Amino Acid Tyrosine Metabolism 48417 LC/MS Neg 100006104 1723 216.0336 175727-14-7 myo-inositol Lipid Inositol Metabolism 1124 LC/MS Polar 363 3506.3 225.0616 892 87-89-8 C00137 HMDB00211 myristoleoylcarnitine (C14:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 48182 LC/MS Pos Late 100006051 1316 370.2947 90659872 889848-55-9 N-(2-furoyl)glycine Xenobiotics Food Component/Plant 31536 LC/MS Neg 100001086 1525 168.0302 21863 5657-19-2;5657-19-2 HMDB00439 N,N,N-trimethyl-5-aminovalerate Amino Acid Lysine Metabolism 57687 LC/MS Pos Early 100015962 2186 160.1332 14274897 N,N,N-trimethyl-alanylproline betaine (TMAP) Amino Acid Urea cycle; Arginine and Proline Metabolism 62947 LC/MS Pos Early 100020217 2470 229.1547 N,N-dimethyl-5-aminovalerate Amino Acid Lysine Metabolism 62819 LC/MS Pos Early 100020842 2290 146.1176 N1,N12-diacetylspermine Amino Acid Polyamine Metabolism 52987 LC/MS Pos Early 100002132 3105 287.2442 132680 61345-83-3 C03413 HMDB02172 N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 40469 LC/MS Pos Early 100001468 1250 153.0659 69698 701-44-0 C05842 HMDB04193 N1-Methyl-4-pyridone-3-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 57584 LC/MS Pos Early 100001469 1260 153.0659 440810 769-49-3 C05843 HMDB04194 N1-methylinosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 48351 LC/MS Neg 100001409 1874 149.0469 65095 20245-33-4 HMDB02721 N2,N2-dimethylguanine Nucleotide Purine Metabolism, Guanine containing 37081 LC/MS Pos Early 100001853 2465 180.088 74047 1445-15-4 N2,N2-dimethylguanosine Nucleotide Purine Metabolism, Guanine containing 35137 LC/MS Pos Early 100001412 2210 312.1303 92919 2140-67-2 HMDB04824 N2,N5-diacetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43591 LC/MS Neg 100004575 1367 215.1037 65977 39825-23-5 N2,N6-diacetyllysine Amino Acid Lysine Metabolism 48455 LC/MS Neg 100006124 1604 229.1194 91827 499-86-5 N2-acetyl,N6-methyllysine Amino Acid Lysine Metabolism 62954 LC/MS Pos Early 100020546 2168 203.139 N2-acetyllysine Amino Acid Lysine Metabolism 36751 LC/MS Polar 100001721 3372.6 187.1088 92907 1946-82-3 C12989 HMDB00446 N2-methylguanosine Nucleotide Purine Metabolism, Guanine containing 35133 LC/MS Neg 100001467 1988 296.1 3035422 2140-77-4 HMDB05862 N3-methyluridine Nucleotide Pyrimidine Metabolism, Uracil containing 35135 LC/MS Neg 100001424 1944 257.0779 316991 2140-69-4 HMDB04813 N4-acetylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35130 LC/MS Neg 100001413 2040 284.0888 107461 3768-18-1 HMDB05923 N6,N6,N6-trimethyllysine Amino Acid Lysine Metabolism 1498 LC/MS Pos Early 189 2825 189.1598 440120 23284-33-5 C03793 HMDB01325 N6,N6-dimethyllysine Amino Acid Lysine Metabolism 62862 LC/MS Pos Early 100020417 2831 175.1441 193344 2259-86-1 C05545 HMDB13287 N6-acetyllysine Amino Acid Lysine Metabolism 36752 LC/MS Polar 100001734 2612.6 187.1088 92832 692-04-6 C02727 HMDB00206 N6-carbamoylthreonyladenosine Nucleotide Purine Metabolism, Adenine containing 35157 LC/MS Pos Early 100001415 2008 413.1415 161466 24719-82-2 HMDB41623 N6-carboxymethyllysine Carbohydrate Advanced Glycation End-product 36713 LC/MS Pos Early 100001768 2500 205.1183 123800 4/3/5746 N6-methyladenosine Nucleotide Purine Metabolism, Adenine containing 37114 LC/MS Pos Early 213 2264 282.1197 102175 1867-73-8 HMDB04044 N6-methyllysine Amino Acid Lysine Metabolism 62860 LC/MS Pos Early 100003415 2831 161.1285 164795 1188-07-4 C02728 HMDB02038 N6-succinyladenosine Nucleotide Purine Metabolism, Adenine containing 48130 LC/MS Neg 100001664 940 382.1004 165243 4542-23-8 HMDB00912 N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Neg 100004299 1478 210.0884 53859791 N-acetyl-2-aminooctanoate* Lipid Fatty Acid, Amino 62059 LC/MS Neg 100020204 3943 200.1292 95555 HMDB59745 N-acetyl-3-methylhistidine* Amino Acid Histidine Metabolism 43256 LC/MS Neg 100002204 1360 210.0884 193270 37841-04-6 N-acetylalanine Amino Acid Alanine and Aspartate Metabolism 1585 LC/MS Neg 1110 861 130.051 88064 97-69-8 C02847 HMDB00766 N-acetylalliin Xenobiotics Food Component/Plant 45404 LC/MS Pos Early 100005367 1348 220.0638 N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos Early 100001266 2245 217.1295 67427 155-84-0 C02562 HMDB04620 N-acetylasparagine Amino Acid Alanine and Aspartate Metabolism 33942 LC/MS Neg 100001257 718 173.0568 99715 4033-40-3 HMDB06028 N-acetylaspartate (NAA) Amino Acid Alanine and Aspartate Metabolism 22185 LC/MS Neg 100000787 620.5 174.0408 65065 997-55-7;997-55-7 C01042 HMDB00812 N-acetyl-aspartyl-glutamate (NAAG) Amino Acid Glutamate Metabolism 35665 LC/MS Pos Early 100001612 1035 305.098 5255 3106-85-2 C12270 HMDB01067 N-acetyl-beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 37432 LC/MS Neg 100002102 773 130.051 76406 3025-95-4 C01073 N-acetyl-cadaverine Amino Acid Lysine Metabolism 43530 LC/MS Pos Early 100002249 2385 145.1335 189087 32343-73-0 HMDB02284 N-acetylcarnosine Amino Acid Histidine Metabolism 43488 LC/MS Neg 100004046 1235 267.1099 9903482 56353-15-2 HMDB12881 N-acetylcitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 48434 LC/MS Neg 100001577 940 216.099 656979 33965-42-3 C15532 HMDB00856 N-acetylcysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1586 LC/MS Pos Early 1107 1416 164.0376 12035 616-91-1 C06809 HMDB01890 N-acetylglucosamine conjugate of C24H38O4 bile acid Partially Characterized Molecules Partially Characterized Molecules 61870 LC/MS Neg 100020008 4637 592.3491 N-acetylglucosamine conjugate of C24H40O4 bile acid Partially Characterized Molecules Partially Characterized Molecules 61869 LC/MS Neg 100020003 4637 594.3648 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 336.1402 123826 2776-93-4 C04540 HMDB00489 N-acetylglutamate Amino Acid Glutamate Metabolism 15720 LC/MS Pos Early 100000282 1050 190.071 70914 8/3/5817 C00624 HMDB01138 N-acetylglutamine Amino Acid Glutamate Metabolism 33943 LC/MS Pos Early 100001253 845 189.087 182230 2490-97-3 C02716 HMDB06029 N-acetylglycine Amino Acid Glycine, Serine and Threonine Metabolism 27710 LC/MS Pos Early 100001006 826 118.0499 10972 543-24-8 HMDB00532 N-acetylhistamine Amino Acid Histidine Metabolism 48679 LC/MS Pos Early 100006123 2287 154.0975 69602 673-49-4 C05135 HMDB13253 N-acetylhistidine Amino Acid Histidine Metabolism 33946 LC/MS Neg 100001293 900 196.0728 75619 39145-52-3 C02997 HMDB32055 N-acetylhomocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 62707 LC/MS Neg 100020513 1314 230.1146 N-acetylisoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 33967 LC/MS Neg 100001276 2325 172.0979 306109 3077-46-1 HMDB61684 N-acetyl-isoputreanine Amino Acid Polyamine Metabolism 62309 LC/MS Pos Early 100020487 2305 203.139 131802901 N-acetylkynurenine (2) Amino Acid Tryptophan Metabolism 48757 LC/MS Neg 100006378 2378 249.0881 N-acetylleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1587 LC/MS Neg 1082 2400 172.0979 70912 1188-21-2 C02710 HMDB11756 N-acetylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1589 LC/MS Neg 1083 1787 190.0543 448580 65-82-7 C02712 HMDB11745 N-acetylmethionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 45428 LC/MS Pos Early 100005463 880 208.0638 193368 108646-71-5 N-acetylneuraminate Carbohydrate Aminosugar Metabolism 32377 LC/MS Pos Early 1162 660 310.1133 439197 131-48-6 C00270 HMDB00230 N-acetylphenylalanine Amino Acid Phenylalanine Metabolism 33950 LC/MS Neg 100001256 2597 206.0823 74839 2018-61-3 C03519 HMDB00512 N-acetylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 34387 LC/MS Pos Early 100001334 1695 158.0812 322640 1074-79-9 N-acetylputrescine Amino Acid Polyamine Metabolism 37496 LC/MS Pos Early 192 2230 131.1179 122356 18233-70-0 C02714 HMDB02064 N-acetylpyrraline Xenobiotics Food Component/Plant 48438 LC/MS Neg 100006120 2545 295.1299 N-acetyl-S-allyl-L-cysteine Xenobiotics Food Component/Plant 47136 LC/MS Neg 100005818 2237 202.0543 152467 23127-41-5 N-acetylserine Amino Acid Glycine, Serine and Threonine Metabolism 37076 LC/MS Polar 100001851 2000 146.0459 65249 97-14-3 HMDB02931 N-acetyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 48187 LC/MS Neg 100005466 800 166.018 159864 N-acetylthreonine Amino Acid Glycine, Serine and Threonine Metabolism 33939 LC/MS Neg 100001274 821.6 160.0615 152204 17093-74-2 HMDB62557 N-acetyltryptophan Amino Acid Tryptophan Metabolism 33959 LC/MS Neg 100001254 2630 245.0932 700653 1218-34-4 C03137 HMDB13713 N-acetyltyrosine Amino Acid Tyrosine Metabolism 32390 LC/MS Neg 100001104 1680 222.0772 68310 537-55-3 HMDB00866 N-acetylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 1591 LC/MS Neg 1084 1704 158.0823 66789 96-81-1 HMDB11757 naringenin Xenobiotics Food Component/Plant 44663 LC/MS Neg 100000920 3437 271.0612 932 67604-48-2 C00509 HMDB02670 naringenin 7-glucuronide Xenobiotics Food Component/Plant 54924 LC/MS Neg 100010898 3144 447.0933 N-carbamoylalanine Amino Acid Alanine and Aspartate Metabolism 52340 LC/MS Polar 100006369 2022 131.0462 426409 77340-50-2 N-carbamoylaspartate Nucleotide Pyrimidine Metabolism, Orotate containing 1594 LC/MS Polar 1108 3800 175.036 93072 923-37-5 C00438 HMDB00828 N-carbamoylsarcosine Amino Acid Creatine Metabolism 38696 LC/MS Pos Early 100002606 920 133.0608 439375 30565-25-4 C01043 HMDB12265 N-carbamoylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 62852 LC/MS Neg 100020351 1270 159.0775 5151292 26081-00-5 N-delta-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43249 LC/MS Neg 100004523 858 173.0932 9920500 neopterin Cofactors and Vitamins Pterin Metabolism 35131 LC/MS Pos Early 100001474 1370 254.0884 4455 2009-64-5 C05926 HMDB00845 N-formylanthranilic acid Amino Acid Tryptophan Metabolism 43549 LC/MS Neg 100004561 2150 164.0353 101399 3342-77-6 C05653 HMDB04089 N-formylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2829 LC/MS Neg 194 1543.8 176.0387 439750 4289-98-9 C03145 HMDB01015 nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos Early 432 1942 123.0553 936 98-92-0 C00153 HMDB01406 nicotinamide N-oxide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 39582 LC/MS Pos Early 100002763 877 139.0502 72661 1986-81-8 HMDB02730 nicotinamide riboside Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 33013 LC/MS Pos Early 100001310 2040 255.0976 439924 1341-23-7 C03150 HMDB00855 nicotinate ribonucleoside Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 33471 LC/MS Pos Early 100001316 1536 256.0816 161234 2625-49-2 C05841 HMDB06809 nicotinurate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 35121 LC/MS Neg 100001455 1467 179.0462 68499 583-08-4 C05380 HMDB03269 N-methylalanine Amino Acid Alanine and Aspartate Metabolism 37069 LC/MS Pos Early 100001823 1580 104.0706 5288725 600-21-5 C02721 HMDB0094692 N-methyl-GABA Amino Acid Glutamate Metabolism 39577 LC/MS Pos Early 100003152 2109 118.0863 70703 1119-48-8 C15987 N-methylglutamate Amino Acid Glutamate Metabolism 31532 LC/MS Polar 100001131 2900 160.0615 439377 35989-16-3 C01046 N-methylhydantoin Amino Acid Creatine Metabolism 40006 LC/MS Neg 100002557 1425 113.0357 69217 616-04-6 C02565 HMDB03646 N-methylpipecolate Xenobiotics Bacterial/Fungal 47101 LC/MS Pos Early 100005383 1932 144.1019 11286529 41447-17-0 N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos Early 100001956 1335 130.0863 557 475-11-6 N-methyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42989 LC/MS Polar 100004056 1650 138.023 7882 107-68-6 N-octanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 54919 LC/MS Neg 100003941 4164 271.1663 N-octanoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 43502 LC/MS Neg 100003940 4335.4 200.1292 84290 14246-53-8 HMDB00832 nonenedioate (C9:1-DC)* Lipid Fatty Acid, Dicarboxylate 61859 LC/MS Neg 100019974 935 185.0819 o-cresol sulfate Xenobiotics Benzoate Metabolism 36845 LC/MS Neg 100001806 2796 187.0071 11615528 octanoylcarnitine (C8) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 33936 LC/MS Pos Late 100001247 950 288.2169 123701 3671-77-0 C02838 HMDB00791 orcinol sulfate Xenobiotics Chemical 48458 LC/MS Neg 100004107 2205 203.002 ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos Early 444 2800 133.0972 6262 3184-13-2 C00077 HMDB03374 orotate Nucleotide Pyrimidine Metabolism, Orotate containing 1505 LC/MS Polar 445 1638.1 155.0098 967 50887-69-9 C00295 HMDB00226 orotidine Nucleotide Pyrimidine Metabolism, Orotate containing 35172 LC/MS Polar 100001416 2250 287.0521 92751 314-50-1 HMDB00788 O-sulfo-L-tyrosine Xenobiotics Chemical 45413 LC/MS Neg 100005384 990 260.0234 514186 oxalate (ethanedioate) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 20694 LC/MS Neg 100000841 603 88.988 971 144-62-7 C00209 HMDB02329 palmitoyl sphingomyelin (d18:1/16:0) Lipid Sphingomyelins 37506 LC/MS Pos Late 100002107 2168 703.5749 9939941 6254-89-3 pantoate Cofactors and Vitamins Pantothenate and CoA Metabolism 63061 LC/MS Neg 100002613 1143 147.0663 439251 470-29-1 C00522 pantothenate (Vitamin B5) Cofactors and Vitamins Pantothenate and CoA Metabolism 1508 LC/MS Neg 1024 1498.7 218.1034 6613 137-08-6 C00864 HMDB00210 paraxanthine Xenobiotics Xanthine Metabolism 18254 LC/MS Neg 100000453 2279 179.0575 4687 611-59-6 C13747 HMDB01860 p-cresol glucuronide* Amino Acid Tyrosine Metabolism 48841 LC/MS Neg 100006191 2420 283.0823 154035 17680-99-8 HMDB11686 p-cresol sulfate Xenobiotics Benzoate Metabolism 36103 LC/MS Neg 100001315 2890 187.0071 4615423 3233-57-7 HMDB11635 phenethylamine Amino Acid Phenylalanine Metabolism 12142 LC/MS Pos Early 1207 3065 122.0964 1001 64-04-0 C05332 HMDB02017 phenol glucuronide Amino Acid Tyrosine Metabolism 52747 LC/MS Neg 100006679 1800 269.0667 87235 17685-05-1 HMDB60014 phenol sulfate Amino Acid Tyrosine Metabolism 32553 LC/MS Neg 100001510 2156 172.9914 74426 937-34-8 C02180 HMDB60015 phenylacetylalanine Peptide Acetylated Peptides 57645 LC/MS Neg 100009240 2684 206.0823 564251 17966-65-3 phenylacetylglutamate Peptide Acetylated Peptides 52925 LC/MS Neg 100009045 1570 264.0877 11579826 HMDB59772 phenylacetylglutamine Peptide Acetylated Peptides 35126 LC/MS Pos Early 100001417 2145 265.1183 92258 28047-15-6 C04148 HMDB06344 phenylacetylglycine Peptide Acetylated Peptides 33945 LC/MS Pos Early 100001275 2317 194.0812 68144 500-98-1 C05598 HMDB00821 phenylacetylhistidine Peptide Acetylated Peptides 52926 LC/MS Pos Early 100009044 2909 274.1186 phenylacetylmethionine Peptide Acetylated Peptides 54736 LC/MS Neg 100009241 3620 266.0856 phenylacetylphenylalanine Peptide Acetylated Peptides 40699 LC/MS Neg 100003760 4260 282.1136 47583 738-75-0 phenylacetylserine Peptide Acetylated Peptides 54911 LC/MS Neg 100010900 2195 222.0772 phenylacetylthreonine Peptide Acetylated Peptides 54915 LC/MS Neg 100010899 2580 236.0928 phenylalanine Amino Acid Phenylalanine Metabolism 64 LC/MS Pos Early 460 2878 166.0863 6140 63-91-2 C00079 HMDB00159 phenylalanylglycine Peptide Dipeptide 41370 LC/MS Pos Early 100003588 2898 223.1077 98207 721-90-4 HMDB28995 phenyllactate (PLA) Amino Acid Phenylalanine Metabolism 22130 LC/MS Polar 100000774 908 165.0557 3848 828-01-3 C05607 HMDB00779 phenylpropionylglycine Xenobiotics Benzoate Metabolism 35434 LC/MS Neg 100001591 2945 206.0823 152323 56613-60-6 HMDB00860 phosphate Energy Oxidative Phosphorylation 42109 LC/MS Pos Early 461 576 98.9842 1061 7664-38-2 C00009 HMDB01429 phosphocholine Lipid Phospholipid Metabolism 34396 LC/MS Pos Early 267 700 184.0733 1014 72556-74-2 C00588 HMDB01565 phosphoethanolamine (PE) Lipid Phospholipid Metabolism 1600 LC/MS Pos Early 1026 700 142.0264 1015 1071-23-4 C00346 HMDB00224 picolinate Amino Acid Tryptophan Metabolism 1512 LC/MS Pos Early 1022 910 124.0393 1018 98-98-6 C10164 HMDB02243 picolinoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 63057 LC/MS Pos Early 100021198 1945 181.0608 11788622 5616-29-5 HMDB59766 pimelate (C7-DC) Lipid Fatty Acid, Dicarboxylate 15704 LC/MS Polar 100000101 2745 159.0663 385 111-16-0 C02656 HMDB00857 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 53224 LC/MS Pos Early 100009407 2773 304.1755 pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.0863 849 4043-87-2 C00408 HMDB00070 piperidine Xenobiotics Food Component/Plant 38183 LC/MS Pos Early 100002398 2500 86.0964 8082 110-89-4 C01746 HMDB34301 pregnanediol-3-glucuronide Lipid Progestin Steroids 40708 LC/MS Neg 100003470 5145 495.2963 123796 1852-49-9 HMDB10318 pregnen-diol disulfate* Lipid Pregnenolone Steroids 32562 LC/MS Neg 100001993 3868 238.0775 pregnenetriol disulfate* Lipid Pregnenolone Steroids 62921 LC/MS Neg 100021104 3504 246.0749 pregnenetriol sulfate* Lipid Pregnenolone Steroids 62922 LC/MS Neg 100021103 4749 413.2003 prolylglycine Peptide Dipeptide 40703 LC/MS Pos Early 100003674 2136 173.0921 6426709 2578-57-6 HMDB11178 prolylhydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos Early 100001167 2128 229.1183 11673055 18684-24-7 HMDB06695 propionylcarnitine (C3) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos Early 100001162 2590 218.1387 107738 17298-37-2 C03017 HMDB00824 propionylglycine (C3) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 31932 LC/MS Neg 100001150 960 130.051 98681 21709-90-0 HMDB00783 propyl 4-hydroxybenzoate sulfate Xenobiotics Benzoate Metabolism 48460 LC/MS Neg 100006264 3971 259.0282 162338-10-5 pseudouridine Nucleotide Pyrimidine Metabolism, Uracil containing 33442 LC/MS Neg 821 1100 243.0623 15047 1445-07-4 C02067 HMDB00767 pterin Cofactors and Vitamins Pterin Metabolism 43023 LC/MS Pos Early 100004216 1805 164.0567 73000 22363-60-4 C00715 HMDB00802 pyridoxal Cofactors and Vitamins Vitamin B6 Metabolism 1651 LC/MS Pos Early 491 2343 168.0655 1050 65-22-5 C00250 HMDB01545 pyridoxamine Cofactors and Vitamins Vitamin B6 Metabolism 2150 LC/MS Pos Early 568 2975 169.0972 1052 58052-48-5 C00534 HMDB01431 pyridoxate Cofactors and Vitamins Vitamin B6 Metabolism 31555 LC/MS Neg 100001121 2185 182.0459 6723 82-82-6 C00847 HMDB00017 pyroglutamine* Amino Acid Glutamate Metabolism 46225 LC/MS Pos Early 100001540 1900 129.0659 134508 2353-44-8 pyrraline Xenobiotics Food Component/Plant 48428 LC/MS Neg 100001767 2304 253.1194 122228 74509-14-1 HMDB33143 pyruvate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48990 LC/MS Polar 823 1083 87.0088 1060 127-17-3 C00022 HMDB00243 quinate Xenobiotics Food Component/Plant 18335 LC/MS Polar 100000442 2432.9 191.0561 6508 77-95-2 C00296 HMDB03072 quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1899 LC/MS Pos Early 182 845 168.0291 1066 89-00-9 C03722 HMDB00232 raffinose Carbohydrate Disaccharides and Oligosaccharides 586 LC/MS Neg 879 978 503.1618 10542 17629-30-0 C00492 HMDB03213 resveratrol disulfate (1)* Xenobiotics Food Component/Plant 62110 LC/MS Neg 100020247 2530 192.9889 ribitol Carbohydrate Pentose Metabolism 15772 LC/MS Polar 100000406 1789.6 151.0612 6912 488-81-3 C00474 HMDB00508 riboflavin (Vitamin B2) Cofactors and Vitamins Riboflavin Metabolism 1827 LC/MS Pos Early 500 2292 377.1456 493570 83-88-5 C00255 HMDB00244 ribonate Carbohydrate Pentose Metabolism 27731 LC/MS Polar 100001007 2425 165.0405 5460677 8/3/5336 C01685 HMDB00867 ribulonate/xylulonate/lyxonate* Carbohydrate Pentose Metabolism 61858 LC/MS Polar 100019968 2350 165.0405 ribulose/xylulose Carbohydrate Pentose Metabolism 48340 LC/MS Polar 100006122 1400 149.0455 S-(3-hydroxypropyl)mercapturic acid (HPMA) Xenobiotics Chemical 44552 LC/MS Neg 100004568 1576 220.0649 3371179 23127-40-4 S-1-pyrroline-5-carboxylate Amino Acid Glutamate Metabolism 42370 LC/MS Pos Early 35 1528 114.055 1196 2906-39-0 C04322 HMDB01301 saccharin Xenobiotics Food Component/Plant 21151 LC/MS Neg 100000870 2000 181.9917 5143 81-07-2 D01085 HMDB29723 S-adenosylhomocysteine (SAH) Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42382 LC/MS Neg 197 1832.4 383.1143 439155 979-92-0 C00021 HMDB00939 S-adenosylmethionine (SAM) Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 15915 LC/MS Pos Early 1263 3002 399.1445 34756 24346-00-7;86867-01-8;86867-0108 C00019 HMDB01185 salicylate Xenobiotics Drug - Topical Agents 1515 LC/MS Polar 501 802 137.0242 338 69-72-7 C00805 HMDB01895 salicyluric glucuronide* Xenobiotics Drug - Analgesics, Anesthetics 33384 LC/MS Neg 100001332 1463 370.078 sarcosine Amino Acid Glycine, Serine and Threonine Metabolism 1516 LC/MS Pos Early 1023 1280 90.055 1088 107-97-1 C00213 HMDB00271 S-carboxymethyl-L-cysteine Xenobiotics Drug - Other 47897 LC/MS Pos Early 100002324 1490 180.0325 1080 638-23-3 C03727 HMDB29415 scyllo-inositol Lipid Inositol Metabolism 32379 LC/MS Polar 100001215 3468 225.0616 892 488-59-5 C06153 HMDB06088 sebacate (C10-DC) Lipid Fatty Acid, Dicarboxylate 32398 LC/MS Neg 100001211 1788 201.1132 5192 111-20-6 C08277 HMDB00792 sedoheptulose Carbohydrate Pentose Metabolism 53237 LC/MS Polar 100002619 2255 209.0667 5459879 3019-74-7 HMDB03219 serine Amino Acid Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos Early 503 1239 106.0499 5951 56-45-1 C00065 HMDB00187 serotonin Amino Acid Tryptophan Metabolism 2342 LC/MS Pos Early 504 2550 177.1022 5202 153-98-0 C00780 HMDB00259 S-methylcysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 39592 LC/MS Neg 100002749 880 134.0281 24417 1187-84-4 HMDB02108 S-methylcysteine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 43378 LC/MS Pos Early 100002927 900 152.0376 82142 6853-87-8 HMDB29432 S-methylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 38127 LC/MS Pos Early 100002183 2555 164.074 458 12/7/3493 C05319 HMDB38670 spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos Early 50 3355 146.1652 1102 124-20-9 C00315 HMDB01257 stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos Early 100001296 1440 144.1019 115244 4136-37-2 C10172 HMDB04827 suberate (C8-DC) Lipid Fatty Acid, Dicarboxylate 15730 LC/MS Polar 100000016 2577.6 173.0819 10457 505-48-6 C08278 HMDB00893 suberoylcarnitine (C8-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 52990 LC/MS Pos Early 100006627 2964 318.1911 suberylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 35419 LC/MS Neg 100001528 1110 230.1034 6453952 60317-54-6 HMDB00953 succinate Energy TCA Cycle 1437 LC/MS Polar 252 3149 117.0193 1110 110-15-6 C00042 HMDB00254 succinimide Xenobiotics Chemical 41888 LC/MS Neg 100003696 1270 98.0248 11439 123-56-8 C07273 succinylcarnitine (C4-DC) Energy TCA Cycle 37058 LC/MS Pos Early 100001948 2291 262.1285 71464481 256928-74-2 HMDB61717 succinylglutamine Amino Acid Glutamate Metabolism 55014 LC/MS Pos Early 100010853 815 247.0925 sucralose Xenobiotics Food Component/Plant 36649 LC/MS Neg 100001789 3140 395.0073 71485 56038-13-2 C12285 HMDB31554 sucrose Carbohydrate Disaccharides and Oligosaccharides 1519 LC/MS Neg 935 865 341.1089 5988 57-50-1 C00089 HMDB00258 sulfate of piperine metabolite C15H17NO3 (1)* Xenobiotics Food Component/Plant 62304 LC/MS Neg 100020498 3728 338.0704 sulfate of piperine metabolite C15H17NO3 (2)* Xenobiotics Food Component/Plant 62305 LC/MS Neg 100020499 3880 338.0704 sulfate of piperine metabolite C16H17NO3 (1)* Xenobiotics Food Component/Plant 62306 LC/MS Neg 100020500 4293 350.0704 sulfate of piperine metabolite C16H19NO3 (1)* Xenobiotics Food Component/Plant 62294 LC/MS Neg 100020495 4031 352.086 sulfate of piperine metabolite C16H19NO3 (2)* Xenobiotics Food Component/Plant 62295 LC/MS Neg 100020496 4112 352.086 sulfate of piperine metabolite C16H19NO3 (3)* Xenobiotics Food Component/Plant 62296 LC/MS Neg 100020497 4200 352.086 sulfate of piperine metabolite C16H19NO4 (1)* Xenobiotics Food Component/Plant 62300 LC/MS Neg 100020505 3038 368.081 sulfate of piperine metabolite C16H19NO4 (2)* Xenobiotics Food Component/Plant 62301 LC/MS Neg 100020506 3120 368.081 sulfate of piperine metabolite C16H19NO4 (3)* Xenobiotics Food Component/Plant 62302 LC/MS Neg 100020507 3154 368.081 sulfate of piperine metabolite C16H19NO4 (4)* Xenobiotics Food Component/Plant 62303 LC/MS Neg 100020508 3282 368.081 sulfate of piperine metabolite C18H21NO3 (1)* Xenobiotics Food Component/Plant 62297 LC/MS Neg 100020502 4481 378.1017 sulfate of piperine metabolite C18H21NO3 (2)* Xenobiotics Food Component/Plant 62298 LC/MS Neg 100020503 4517 378.1017 sulfate of piperine metabolite C18H21NO3 (3)* Xenobiotics Food Component/Plant 62299 LC/MS Neg 100020504 4630 378.1017 sulfate* Xenobiotics Chemical 46960 LC/MS Neg 100002528 616 96.9601 1118 14808-79-8 C00059 HMDB01448 sulforaphane-N-acetyl-cysteine Xenobiotics Food Component/Plant 40468 LC/MS Neg 100003719 2230 339.0512 symmetric dimethylarginine (SDMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36772 LC/MS Polar 100001410 4649.9 201.1357 169148 102783-24-4 C03626 HMDB03334 syringic acid Xenobiotics Food Component/Plant 37091 LC/MS Neg 100001919 1450 197.0455 10742 530-57-4 C10833 HMDB02085 syringol sulfate Xenobiotics Food Component/Plant 48454 LC/MS Neg 100006256 2395 233.0125 52904-67-3 tartarate Xenobiotics Food Component/Plant 15336 LC/MS Polar 100000295 3500 149.0092 444305 87-69-4;6106-24-7 C00898 HMDB00956 tartronate (hydroxymalonate) Xenobiotics Food Component/Plant 20693 LC/MS Polar 100000840 3700 118.9986 45 80-69-3 C02287 HMDB35227 taurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Polar 512 2120 124.0074 1123 107-35-7 C00245 HMDB00251 tauro-beta-muricholate Lipid Primary Bile Acid Metabolism 33983 LC/MS Neg 100001250 4774 514.2844 168408 25696-60-0 HMDB00932 taurochenodeoxycholic acid 3-sulfate Lipid Secondary Bile Acid Metabolism 62890 LC/MS Neg 100021093 4809 288.6195 HMDB02486 taurocholenate sulfate* Lipid Secondary Bile Acid Metabolism 32807 LC/MS Neg 100001990 4750 279.6142 taurodeoxycholic acid 3-sulfate Lipid Secondary Bile Acid Metabolism 62889 LC/MS Neg 100006644 4850 288.6195 taurolithocholate 3-sulfate Lipid Secondary Bile Acid Metabolism 36850 LC/MS Neg 100001658 5027 280.6221 440071 64936-83-0 C03642 HMDB02580 tetrahydrocortisol sulfate (1) Lipid Corticosteroids 62793 LC/MS Neg 100020848 4276 445.1902 theobromine Xenobiotics Xanthine Metabolism 18392 LC/MS Pos Early 100000445 1600 181.072 5429 83-67-0 C07480 HMDB02825 theophylline Xenobiotics Xanthine Metabolism 18394 LC/MS Neg 100000437 2356.9 179.0575 2153 58-55-9 C07130 HMDB01889 thiamin (Vitamin B1) Cofactors and Vitamins Thiamine Metabolism 5341 LC/MS Pos Early 873 3050 265.1118 1130 59-43-8 C00378 HMDB00235 thioproline Xenobiotics Chemical 53231 LC/MS Pos Early 100009232 1250 134.027 93176 34592-47-4 threonate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 27738 LC/MS Polar 100001022 2384 135.0299 151152 70753-61-6 C01620 HMDB00943 threonine Amino Acid Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos Early 564 1514 120.0655 6288 72-19-5 C00188 HMDB00167 thymine Nucleotide Pyrimidine Metabolism, Thymine containing 604 LC/MS Neg 882 1654 125.0357 1135 65-71-4 C00178 HMDB00262 thymol sulfate Xenobiotics Food Component/Plant 36095 LC/MS Neg 100001757 4410 229.054 89-83-8 C09908 HMDB01878 tigloylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 1598 LC/MS Pos Early 1161 1926 158.0812 6441567 35842-45-6 HMDB00959 tiglyl carnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos Early 100001597 2962 244.1543 22833596 64191-86-2 HMDB02366 trans-2-hexenoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 61798 LC/MS Neg 100019884 2707 170.0823 trans-3,4-methyleneheptanoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 55012 LC/MS Neg 100010861 3818 198.1136 trans-aconitate Energy TCA Cycle 52303 LC/MS Pos Early 100001043 1320 192.0503 444212 4023-65-8 C02341 HMDB00958 trans-urocanate Amino Acid Histidine Metabolism 607 LC/MS Pos Early 537 2285 139.0502 736715 104-98-3 C00785 HMDB00301 triacetate lactone Xenobiotics Bacterial/Fungal 48571 LC/MS Neg 100006246 1238 125.0244 675-10-5 C02752 tricarballylate Energy TCA Cycle 15729 LC/MS Polar 2053 4200 175.0248 14925 99-14-9 C19806 HMDB31193 tridecenedioate (C13:1-DC)* Lipid Fatty Acid, Dicarboxylate 62919 LC/MS Neg 100002199 3051 241.1445 trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos Early 100001092 1388 138.055 5570 535-83-1 C01004 HMDB00875 trimethylamine N-oxide Lipid Phospholipid Metabolism 40406 LC/MS Pos Early 100003397 2100 76.0757 1145 1184-78-7 C01104 HMDB00925 trizma acetate Xenobiotics Chemical 20710 LC/MS Pos Early 100000856 1884 122.0812 6503 6850-28-8 C07182 tryptamine Amino Acid Tryptophan Metabolism 6104 LC/MS Pos Early 1095 3062 161.1073 1150 61-54-1 C00398 HMDB00303 tryptophan Amino Acid Tryptophan Metabolism 54 LC/MS Pos Early 565 2986 205.0972 6305 73-22-3 C00078 HMDB00929 tryptophan betaine Amino Acid Tryptophan Metabolism 37097 LC/MS Pos Early 100001743 2673 247.1441 442106 20671-76-5 C09213 HMDB61115 tyramine Amino Acid Tyrosine Metabolism 1603 LC/MS Pos Early 1133 2540 138.0913 5610 60-19-5 C00483 HMDB00306 tyramine O-sulfate Amino Acid Tyrosine Metabolism 48408 LC/MS Neg 100006092 1565 216.0336 153005 30223-92-8 HMDB06409 tyrosine Amino Acid Tyrosine Metabolism 1299 LC/MS Pos Early 815 2430 182.0812 6057 60-18-4 C00082 HMDB00158 umbelliferone sulfate Xenobiotics Food Component/Plant 48674 LC/MS Neg 100006282 2440 240.9812 129659 69526-88-1 uracil Nucleotide Pyrimidine Metabolism, Uracil containing 605 LC/MS Neg 825 1086 111.02 1174 66-22-8 C00106 HMDB00300 urate Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1604 LC/MS Neg 1134 757.1 167.0211 1175 69-93-2;120K5305 C00366 HMDB00289 urea Amino Acid Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos Early 533 700 121.072 1176 57-13-6 C00086 HMDB00294 uric acid ribonucleoside* Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 62102 LC/MS Neg 100002682 1200 299.0633 164933 2124-54-1 uridine Nucleotide Pyrimidine Metabolism, Uracil containing 606 LC/MS Neg 535 1457.6 243.0623 6029 58-96-8 C00299 HMDB00296 ursocholate Lipid Secondary Bile Acid Metabolism 57573 LC/MS Neg 100002913 4648 407.2803 2955-27-3 valine Amino Acid Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Neg 566 909.4 116.0717 6287 72-18-4 C00183 HMDB00883 valylleucine Peptide Dipeptide 39994 LC/MS Pos Early 100003210 3138 231.1703 352039 22906-55-4 HMDB29131 vanillactate Amino Acid Tyrosine Metabolism 54910 LC/MS Neg 100006129 1625 211.0612 160637 2475-56-1 HMDB00913 vanillate Xenobiotics Food Component/Plant 35639 LC/MS Neg 100001634 1100 167.035 8468 121-34-6 C06672 HMDB00484 vanillic alcohol sulfate Amino Acid Tyrosine Metabolism 48733 LC/MS Neg 100006125 1808 233.0125 754920-02-0 vanillylmandelate (VMA) Amino Acid Tyrosine Metabolism 1567 LC/MS Neg 1111 941 197.0456 1245 55-10-7 C05584 HMDB00291 xanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3147 LC/MS Polar 1004 2023 151.0262 1188 69-89-6 C00385 HMDB00292 xanthopterin Cofactors and Vitamins Pterin Metabolism 54728 LC/MS Pos Early 100006338 1400 180.0516 8397 xanthosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 15136 LC/MS Neg 100000299 1075 283.0684 64959 146-80-5 C01762 HMDB00299 xanthurenate Amino Acid Tryptophan Metabolism 15679 LC/MS Neg 100000015 1476 204.0302 5699 59-007 C02470 HMDB00881 xylose Carbohydrate Pentose Metabolism 15581 LC/MS Polar 826 1727 195.051 135191 609-06-3 C00181 HMDB00098 METABOLITES_END #END