#METABOLOMICS WORKBENCH FADHLYEMEN_20200622_125409_mwtab.txt DATATRACK_ID:2062 STUDY_ID:ST001412 ANALYSIS_ID:AN002362 PROJECT_ID:PR000968 VERSION 1 CREATED_ON June 26, 2020, 5:27 pm #PROJECT PR:PROJECT_TITLE Metabolomics study in Plasma of Obese Patients with Neuropathy Identifies PR:PROJECT_TITLE Potential Metabolomics Signatures PR:PROJECT_SUMMARY The goal of this study was to characterize biochemical profiles observed in PR:PROJECT_SUMMARY human plasma samples originating from an obese cohort stratified by a diagnosis PR:PROJECT_SUMMARY of neuropathy as well as a cohort of lean control subjects without a clinical PR:PROJECT_SUMMARY manifestation of neuropathy. PR:INSTITUTE University of Michigan PR:LAST_NAME Feldman PR:FIRST_NAME Eva PR:ADDRESS 5017 AATBSRB, 109 Zina Pitcher Place Ann Arbor, MI 48109-2200 PR:EMAIL efeldman@med.umich.edu PR:PHONE 734-763-7274 #STUDY ST:STUDY_TITLE Metabolomics study in Plasma of Obese Patients with Neuropathy Identifies ST:STUDY_TITLE Potential Metabolomics Signatures ST:STUDY_SUMMARY The goal of this study was to characterize biochemical profiles observed in ST:STUDY_SUMMARY human plasma samples originating from an obese cohort stratified by a diagnosis ST:STUDY_SUMMARY of neuropathy as well as a cohort of lean control subjects without a clinical ST:STUDY_SUMMARY manifestation of neuropathy. ST:INSTITUTE University of Michigan ST:LAST_NAME Feldman ST:FIRST_NAME Eva ST:ADDRESS 5017 AATBSRB, 109 Zina Pitcher Place Ann Arbor, MI 48109-2200 ST:EMAIL efeldman@med.umich.edu ST:PHONE 734-763-7274 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - MICH-01525 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01526 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01527 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01528 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01529 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01530 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01531 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01532 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01533 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01534 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01535 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01536 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01537 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01538 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01539 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01540 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01541 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01542 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01543 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01544 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01545 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01546 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01547 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01548 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01549 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01550 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01551 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01552 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01553 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01554 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01555 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01556 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01557 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01558 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01559 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01560 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01561 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01562 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01563 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01564 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01565 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01566 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01567 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01568 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01569 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01570 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01571 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01572 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01573 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01574 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01575 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01576 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01577 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01578 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01579 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01580 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01581 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01582 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01583 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01584 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01585 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01586 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01587 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01588 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01589 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01590 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01591 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01592 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01593 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01594 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01595 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01596 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01597 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01598 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01599 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01600 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01601 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01602 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01603 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01604 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01605 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01606 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01607 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01608 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01609 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01610 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01611 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01612 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01613 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01614 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01615 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01616 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01617 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01618 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01619 Group:Lean SUBJECT_SAMPLE_FACTORS - MICH-01620 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01621 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01622 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01623 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01624 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01625 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01626 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01627 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01628 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01629 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01630 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01631 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01632 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01633 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01634 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01635 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01636 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01637 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01638 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01639 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01640 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01641 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01642 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01643 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01644 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01645 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01646 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01647 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01648 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01649 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01650 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01651 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01652 Group:Obese non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01653 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01654 Group:Obese neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01655 Group:Obese neuropathy #COLLECTION CO:COLLECTION_SUMMARY Plasma was collected in purple EDTA tubes with 10 mL of buffy coat, inverted 10 CO:COLLECTION_SUMMARY times, incubated for 30-90 minutes at room temperature, and centrifuged at 3000 CO:COLLECTION_SUMMARY rpm for 10 minutes. The plasma supernatant was collected by aspirating plasma to CO:COLLECTION_SUMMARY approximately 5 mm above the buffy coat and plasma samples were stored in 0.5 mL CO:COLLECTION_SUMMARY aliquots at -80C prior to metabolomics analysis. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton SP:SAMPLEPREP_SUMMARY Company. Several recovery standards were added prior to the first step in the SP:SAMPLEPREP_SUMMARY extraction process for QC purposes. To remove protein, dissociate small SP:SAMPLEPREP_SUMMARY molecules bound to protein or trapped in the precipitated protein matrix, and to SP:SAMPLEPREP_SUMMARY recover chemically diverse metabolites, proteins were precipitated with methanol SP:SAMPLEPREP_SUMMARY under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by SP:SAMPLEPREP_SUMMARY centrifugation. The resulting extract was divided into five fractions: two for SP:SAMPLEPREP_SUMMARY analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion SP:SAMPLEPREP_SUMMARY mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with SP:SAMPLEPREP_SUMMARY negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion SP:SAMPLEPREP_SUMMARY mode ESI, and one sample was reserved for backup. Samples were placed briefly on SP:SAMPLEPREP_SUMMARY a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples MICH-01525 MICH-01526 MICH-01527 MICH-01528 MICH-01529 MICH-01530 MICH-01531 MICH-01532 MICH-01533 MICH-01534 MICH-01535 MICH-01536 MICH-01537 MICH-01538 MICH-01539 MICH-01540 MICH-01541 MICH-01542 MICH-01543 MICH-01544 MICH-01545 MICH-01546 MICH-01547 MICH-01548 MICH-01549 MICH-01550 MICH-01551 MICH-01552 MICH-01553 MICH-01554 MICH-01555 MICH-01556 MICH-01557 MICH-01558 MICH-01559 MICH-01560 MICH-01561 MICH-01562 MICH-01563 MICH-01564 MICH-01565 MICH-01566 MICH-01567 MICH-01568 MICH-01569 MICH-01570 MICH-01571 MICH-01572 MICH-01573 MICH-01574 MICH-01575 MICH-01576 MICH-01577 MICH-01578 MICH-01579 MICH-01580 MICH-01581 MICH-01582 MICH-01583 MICH-01584 MICH-01585 MICH-01586 MICH-01587 MICH-01588 MICH-01589 MICH-01590 MICH-01591 MICH-01592 MICH-01593 MICH-01594 MICH-01595 MICH-01596 MICH-01597 MICH-01598 MICH-01599 MICH-01600 MICH-01601 MICH-01602 MICH-01603 MICH-01604 MICH-01605 MICH-01606 MICH-01607 MICH-01608 MICH-01609 MICH-01610 MICH-01611 MICH-01612 MICH-01613 MICH-01614 MICH-01615 MICH-01616 MICH-01617 MICH-01618 MICH-01619 MICH-01620 MICH-01621 MICH-01622 MICH-01623 MICH-01624 MICH-01625 MICH-01626 MICH-01627 MICH-01628 MICH-01629 MICH-01630 MICH-01631 MICH-01632 MICH-01633 MICH-01634 MICH-01635 MICH-01636 MICH-01637 MICH-01638 MICH-01639 MICH-01640 MICH-01641 MICH-01642 MICH-01643 MICH-01644 MICH-01645 MICH-01646 MICH-01647 MICH-01648 MICH-01649 MICH-01650 MICH-01651 MICH-01652 MICH-01653 MICH-01654 MICH-01655 Factors Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Lean Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese non neuropathy Group:Obese neuropathy Group:Obese neuropathy Group:Obese neuropathy (12 or 13)-methylmyristate (a15:0 or i15:0) 0.7943 1.6410 1.1276 0.9706 0.8265 0.6543 0.9734 0.3517 1.0199 1.6966 1.9014 0.5597 1.7874 2.2579 1.2360 1.3329 0.4804 0.4136 0.5836 1.7723 1.5115 1.2739 1.1333 0.5784 1.2167 1.6278 1.0404 0.9248 0.5797 0.9998 0.9117 0.6836 1.9660 0.8529 0.7389 0.5836 1.0002 0.8072 0.7865 0.7452 1.0538 0.7710 0.7329 1.0301 1.0300 1.2068 1.0432 0.9067 0.4703 0.8579 0.7681 0.6683 0.9308 0.5450 0.4799 0.7919 1.1145 0.9336 1.0538 0.3517 0.9783 0.7368 1.2869 0.9263 1.2042 1.7210 1.0303 0.3205 1.2864 1.6865 1.0333 1.2817 1.0630 1.8558 1.1543 0.5443 1.5137 0.9849 1.6622 0.5021 1.6188 1.4460 1.2747 1.2534 1.2144 0.5638 1.5322 0.7997 0.5935 0.3205 0.8996 0.3806 0.8039 0.7324 0.5955 2.2039 1.0263 1.0386 0.9138 0.8006 0.9893 0.8089 1.1692 1.0132 1.0897 0.6508 1.3972 1.4149 0.7912 1.8355 1.1470 1.2769 0.8573 1.1161 0.7769 1.5510 0.7828 1.0501 0.7631 1.7901 1.3028 1.2251 0.6825 0.9783 1.0390 0.9870 0.9550 1.0661 1.9335 1.3049 0.7483 (14 or 15)-methylpalmitate (a17:0 or i17:0) 0.6382 2.0389 1.4000 0.5757 0.9142 0.8166 1.1415 0.5534 0.6621 1.8649 2.5738 0.5247 2.0833 1.7880 1.7728 1.4404 0.3858 0.8212 0.7285 1.4075 0.8015 0.9967 1.5352 0.7346 2.0915 1.0087 0.9544 1.1055 0.6521 0.9162 1.2254 0.6471 1.4547 0.8369 0.7180 0.7676 0.7128 0.6298 0.6361 0.6440 0.5954 1.1160 0.6749 1.0411 0.9957 0.6964 1.2588 1.0031 0.5450 0.9995 0.5034 0.4903 0.9297 0.6259 0.3265 1.1019 0.7632 1.0402 1.3768 0.2627 1.1063 0.7728 0.9546 0.7589 1.4958 1.1285 0.9422 1.0095 0.9016 1.8681 0.9805 0.8030 1.1283 1.2747 0.8399 0.4465 1.5314 0.9830 1.7907 0.5878 1.2777 1.2146 1.2922 1.2890 0.8125 0.6400 1.0622 1.3619 0.7508 0.4559 0.6807 0.3953 0.6036 0.4725 0.2496 2.1543 1.3257 1.2301 1.2634 1.0344 0.7494 0.8712 0.8000 1.1672 1.3010 0.6994 1.4962 1.3494 1.3085 1.2905 0.8918 1.1054 0.8844 1.2508 1.0806 1.3093 0.9411 1.0892 1.0000 1.2323 1.3786 1.2878 1.0213 1.0447 1.1274 1.4708 1.4293 1.3821 2.0010 1.6988 0.8732 (16 or 17)-methylstearate (a19:0 or i19:0) 0.6483 1.8585 1.2201 0.5436 1.1644 0.8113 1.1912 0.6949 0.6164 1.9305 1.9573 0.5592 1.1370 1.2184 1.3507 1.0587 0.6151 0.9671 0.8184 1.0585 0.8027 0.8086 1.4609 0.8394 1.5730 0.9563 0.8919 1.1814 0.6152 0.6651 1.4752 0.7337 1.1327 1.1164 0.8299 0.7656 0.5313 0.7385 0.6295 0.5619 0.5826 0.9297 0.7482 1.0451 1.0250 0.7969 1.1849 1.2321 0.7946 0.7237 0.5785 0.5205 0.8912 0.8049 0.4018 1.1899 1.0779 0.9142 1.1005 0.7142 0.8655 0.8248 0.7806 0.9872 1.0633 1.0110 1.0045 1.0229 1.0255 1.8850 1.0622 0.6668 1.1141 0.9648 0.7811 0.7346 1.0318 0.8569 1.6658 0.7341 1.3866 1.0572 1.1633 1.1100 0.6991 0.6729 1.1937 1.2932 0.9727 0.5227 0.7428 0.6156 0.8708 0.6925 0.2916 1.5421 1.5930 1.1686 1.1332 1.0007 0.6133 1.0739 0.5958 0.8137 1.1104 1.0000 1.3647 1.1171 1.3545 0.9127 0.7128 1.0988 0.8151 1.1255 1.0138 1.1589 0.9085 1.0459 0.9541 1.1482 1.0070 1.2849 0.8438 1.0105 1.0245 1.1697 1.4912 1.1038 1.2051 1.3039 0.8224 (2 or 3)-decenoate (10:1n7 or n8) 1.1535 2.1135 1.6763 0.8176 0.6240 0.3982 0.6978 1.3380 0.7005 1.1835 1.6417 0.9293 1.5712 1.5529 1.1185 1.2747 0.8485 0.4980 0.5837 1.1962 0.8391 1.1896 0.9403 1.0449 1.3417 0.7263 0.2424 1.4306 0.8262 0.9175 1.0152 0.3601 0.8589 1.3056 0.8781 1.3505 0.5785 0.6016 0.6750 0.7102 0.4808 1.1728 0.9652 0.9848 0.9381 0.9073 0.9253 1.6430 0.9378 0.8479 1.0509 0.3781 0.6389 0.8341 0.4748 1.2739 0.8211 0.7682 0.9742 1.9371 0.5925 1.0598 1.0347 1.3955 1.0482 0.7150 1.5082 1.6286 0.8593 1.5041 1.7609 1.4373 0.9359 0.5117 1.3668 0.2424 1.3203 1.2235 1.2621 0.5419 1.7153 1.9579 2.7491 0.6529 0.9315 1.1074 0.9185 1.3054 0.8997 0.3926 0.7201 0.7207 0.8450 1.4372 0.2759 1.2066 3.7674 0.6439 1.3650 0.8959 1.0305 1.2766 0.7852 0.8197 0.8733 1.4300 1.6265 0.9123 1.2432 1.0608 2.6782 1.5193 1.4528 1.1485 1.4861 2.1968 0.9447 1.1751 1.0679 0.9845 1.0314 0.9768 0.6514 1.0874 0.7378 1.8432 0.6909 1.3560 1.6162 1.0205 0.8716 (2,4 or 2,5)-dimethylphenol sulfate 0.4247 0.4247 0.4247 1.0000 0.7924 0.4247 0.4247 0.4247 0.4247 0.5686 0.4247 0.4247 0.4247 0.4247 2.6267 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 1.5445 0.4247 0.4247 0.4247 0.4247 0.6839 1.0458 0.4247 0.4247 0.4247 0.7770 0.4247 0.4247 0.4247 0.6032 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 55.8719 0.8613 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.8222 1.2741 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 10.8739 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 2.8704 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 8.4755 0.4247 0.4247 1.1858 0.4247 0.4247 1.3165 0.9384 3.4826 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.8975 0.4247 0.4247 0.4247 0.4247 0.4247 0.6236 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 0.4247 (N(1) + N(8))-acetylspermidine 0.9065 0.9647 0.9416 1.1160 2.5401 1.4861 1.9880 1.1582 0.9746 0.7590 1.4162 1.1635 2.0371 0.6772 0.5057 1.7132 0.8416 2.0269 1.8157 1.3297 0.6580 1.7683 0.9817 0.9219 1.0066 1.0057 0.1422 1.0113 0.7533 0.8505 0.4638 1.1196 0.4973 1.0336 1.9740 1.5344 0.7651 0.9717 0.9280 1.6426 0.7432 1.6325 1.2716 1.2178 0.6465 1.9306 0.8478 0.8017 2.5184 1.2531 1.2242 0.1422 0.1422 1.9478 0.5760 0.8046 0.4468 1.5704 1.4288 0.8929 0.8776 0.9194 1.6290 0.8039 1.4207 0.3413 0.7973 0.8297 0.4638 0.7924 0.4961 1.0001 0.6475 1.1366 0.5856 1.0058 1.0665 1.5330 0.6821 0.6050 0.8067 1.2499 1.1828 0.4620 0.7260 1.8953 0.8004 0.9126 0.2984 0.9999 0.7559 0.6176 0.9155 0.8480 0.7838 1.5873 0.8327 0.1422 1.1578 1.9674 0.9232 1.2335 0.4765 0.8244 1.3468 1.5731 1.3183 1.3651 0.1422 1.5235 1.2643 1.6029 1.5396 0.8351 0.8186 0.9409 1.1566 1.0138 1.5952 0.8144 1.0216 0.8295 2.1611 1.4764 0.6109 1.3219 1.4952 1.9867 1.1768 0.9216 0.1422 (R)-3-hydroxybutyrylcarnitine 2.6512 6.0150 3.4009 0.1131 0.4713 0.7967 1.5213 0.9626 0.9544 0.9497 5.2187 0.3956 0.2848 2.4071 0.6678 1.8245 0.4011 2.1400 0.1131 0.4928 1.0697 1.8520 0.8631 0.9095 6.3231 0.1678 1.3506 1.9194 3.5433 2.7561 1.5903 0.8800 5.7449 6.3264 3.1625 0.6502 0.3274 0.1131 0.5852 5.0330 0.1131 2.0035 3.0410 4.6061 3.7058 2.7212 0.3328 2.1262 1.5728 1.8208 0.6633 0.3871 0.1131 1.8031 0.1131 0.3426 0.1131 0.2481 1.5101 0.1131 0.1131 0.1729 0.6127 0.7840 0.1131 0.2024 0.1131 0.1936 0.1131 0.5471 0.4168 0.1131 1.4056 0.5355 0.1131 0.4694 3.4540 0.2922 0.6842 0.1131 0.3396 0.5675 3.9719 0.3491 0.1131 0.4502 0.6145 0.1131 0.1131 0.1131 0.4450 0.7125 0.3761 1.0266 0.1131 3.3274 1.9818 1.0024 1.1746 1.0140 2.3049 1.5121 0.1938 0.9105 0.4233 1.3779 1.7113 0.4868 1.8731 1.4225 1.1421 0.7663 0.4974 1.5744 0.6927 1.2456 1.0000 0.9751 1.4093 1.2821 0.1131 0.9223 2.0211 0.9312 0.4914 2.6684 0.4703 1.4081 3.1107 2.4552 0.3610 (S)-3-hydroxybutyrylcarnitine 3.4868 1.4203 3.1175 0.9574 0.8279 1.9707 0.8070 1.8525 1.7510 1.1135 1.7494 1.8466 0.3285 1.5088 1.1475 0.5850 0.6461 0.5862 0.1782 0.5015 1.2391 0.4713 0.6398 1.5927 2.0532 0.2469 1.0610 1.1480 1.4332 2.3408 0.1782 0.1782 0.1782 1.5245 2.1866 0.1782 0.4675 0.4192 0.6105 1.5728 0.3782 2.5993 0.7691 1.6001 5.4585 1.0636 0.7753 1.4825 4.2470 0.5600 1.8684 0.9570 0.2805 0.1782 0.1782 0.2647 0.2828 0.5767 0.7988 0.1782 0.5157 0.5108 0.9387 0.8192 0.4162 0.3786 0.3914 1.0499 0.5970 0.8222 1.0252 1.2446 1.0306 1.0802 0.3822 0.7924 1.4915 0.6036 0.8259 0.2195 0.4579 0.6523 2.1088 0.9852 0.4764 0.1782 1.2823 0.5208 0.4606 0.2778 0.9877 0.1782 0.3438 0.9117 0.3442 2.2722 1.4536 1.6431 1.0741 0.5405 0.1782 2.8657 0.5411 1.0644 0.5001 1.7050 0.9977 1.1998 1.1549 1.1738 2.1973 0.1782 1.3089 1.1777 0.1782 0.1782 1.6196 0.7758 1.0043 1.2086 0.4687 0.1782 0.9685 1.0023 0.4796 1.5015 0.1782 1.4255 3.3128 1.8813 1.4964 (S)-a-amino-omega-caprolactam 0.9041 1.0444 0.9684 1.7765 1.0094 1.5988 0.9556 1.2812 1.0601 1.0452 1.1401 1.1324 1.0155 0.8711 0.8708 1.1933 1.5874 1.1651 0.8608 1.0273 0.9693 1.1511 0.8785 1.1617 0.8938 1.0572 1.4520 1.0543 0.9678 1.0411 0.3885 0.4798 0.3885 1.0737 1.0800 1.2255 1.0019 1.0190 1.2075 0.8363 0.9841 1.4220 1.1648 0.9089 1.1972 0.9034 1.0336 1.0592 1.7905 1.0709 1.2317 0.9928 0.7610 0.3885 0.7164 0.9937 0.5951 0.6580 0.8642 0.3885 0.5923 0.7979 0.5661 0.8220 0.9795 0.6951 1.0037 0.5860 0.3885 0.8749 0.7435 0.8463 0.9297 0.7495 0.8101 1.3508 0.7979 0.9209 0.7679 0.7747 0.7439 1.2286 0.8704 1.0723 0.6560 0.3885 0.9341 1.1709 0.9932 1.0743 0.8462 0.3885 0.7092 0.6067 1.0983 1.0000 0.7247 0.9250 1.1486 1.5328 0.7130 1.1452 1.1431 1.1657 0.9624 0.9541 1.1843 1.2650 0.9787 1.2721 0.8832 0.7301 1.2070 1.0439 0.3885 0.3885 1.6382 1.0073 1.1783 1.0669 0.9531 0.3885 1.3429 1.1752 0.6238 1.3592 0.3885 0.9656 1.3060 0.9096 1.0394 1,2,3-benzenetriol sulfate (1) 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 1.1008 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 1.0176 0.5106 0.5106 0.6978 0.5106 0.5106 0.5106 0.5106 2.5350 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.9824 0.5106 0.9114 0.5106 0.5106 0.5106 0.5496 0.5106 0.5106 16.5120 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.6771 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5632 0.5106 2.8770 0.5106 0.5106 0.5106 0.7596 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 1.4853 2.1158 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 2.7862 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 0.5106 1,2,3-benzenetriol sulfate (2) 0.7849 4.2607 1.7781 0.4831 1.2625 9.8927 21.0769 0.4175 0.1111 1.1184 0.1111 0.6709 0.1111 1.4895 0.1582 0.1111 1.2242 0.7081 1.4126 29.4692 0.5994 0.1111 0.4886 0.3126 0.8743 1.3923 0.1111 0.3699 0.6074 0.3426 12.3794 3.6023 3.7111 16.6605 2.5532 0.1111 0.1946 0.3026 53.2282 0.1111 1.7966 0.1111 0.1111 0.1111 0.6028 0.1111 0.3701 0.1111 0.4848 0.6653 0.1111 0.8242 0.2846 0.8668 1.8819 0.6595 2.5379 15.3316 5.3250 23.3926 1.0734 0.8306 1.7918 14.0491 0.1823 0.3776 222.5177 4.3694 3.8783 0.3683 1.0768 10.7444 3.6869 1.8869 0.1943 12.3205 0.1637 0.4256 8.1817 0.4745 4.5467 0.3972 0.3409 0.1111 0.6595 0.1667 0.5242 12.8890 0.4116 44.3556 0.2773 1.0293 1.1297 20.4626 1.9601 0.4959 0.1392 0.2252 0.1957 1.3240 62.5814 16.7919 1.0981 0.3352 0.6384 0.9707 0.1111 0.2756 9.6900 0.2314 1.9767 0.1313 1.0293 0.3788 0.1653 63.5089 1.5606 5.5231 0.2646 0.1111 0.1111 0.4083 0.2251 1.4186 1.3192 1.2077 0.1111 0.4884 0.5903 0.1111 2.3792 1,3,7-trimethylurate 0.7024 0.4858 0.2573 0.2573 0.2573 1.0759 1.5386 4.9324 3.7790 1.0553 1.8231 3.9471 0.2573 1.3903 0.2573 0.2573 0.2573 0.2573 0.2573 1.2265 0.2573 0.2573 1.3685 0.5078 0.2573 0.2573 0.2573 0.2573 0.2573 0.2573 0.3933 2.3020 1.1301 0.4553 0.2573 1.1712 1.0546 0.2573 0.7577 0.2573 0.6796 0.2573 0.2573 0.2573 1.0681 0.2573 0.5729 0.2573 1.3991 1.3183 2.6198 2.3664 0.4969 0.3202 0.4630 0.8881 0.5131 0.2573 0.4293 0.2573 0.4185 1.1448 0.4301 0.2573 0.5101 0.2573 0.2573 0.2573 0.2573 0.5679 0.3779 0.2573 0.2573 0.2660 0.2911 1.5076 3.3934 0.6887 0.9923 0.3038 2.8148 1.0394 1.5774 0.4918 0.3613 0.2573 1.3540 0.2573 7.1233 0.2573 0.2573 1.3916 0.2573 0.2573 0.6220 2.6220 0.2573 0.2573 0.2573 0.2573 1.6965 3.8477 0.2573 1.4640 0.9585 0.5005 0.4993 0.2573 0.8259 1.0077 1.5288 0.2573 2.2466 0.3706 0.3805 2.1997 0.6232 0.3622 0.2573 2.1366 0.2573 0.4602 0.2573 0.7155 0.2573 0.2573 0.2573 0.2573 2.8037 0.2573 0.2573 1,3-dimethylurate 1.0403 0.6999 0.1442 0.1442 0.1442 1.8960 1.1739 1.6761 2.9560 0.5046 1.9554 1.0223 0.1442 1.4066 0.3511 0.2634 0.1442 0.1442 0.1442 1.2592 0.1442 0.1442 1.2883 0.7134 0.1442 0.1442 0.4231 0.1442 0.1442 0.1442 0.4665 1.6741 1.8052 0.5862 0.1442 1.3538 2.4166 0.1442 0.6550 0.1442 0.6857 0.1442 0.1442 0.1442 0.7616 0.1442 0.8640 0.1442 1.5119 0.7072 1.5971 1.7690 0.6159 1.7211 2.3378 2.1832 1.2037 0.2691 0.2441 0.1442 0.1442 1.0429 1.0121 0.1442 1.1961 0.3546 0.1442 0.1442 0.2214 0.1442 1.4767 0.4027 0.3671 0.5052 1.4226 1.1159 1.4589 2.0086 1.5958 0.7214 2.2909 1.4144 2.7958 1.0049 0.9480 0.1442 0.4703 0.1442 4.3486 0.2185 0.9951 1.6070 0.2507 0.5549 0.3482 2.5279 0.1442 0.1442 0.6276 0.1442 1.8453 0.6007 0.1442 1.6831 0.4781 0.6356 0.5913 0.1442 0.4783 0.8361 0.7990 0.1442 1.9897 0.1803 1.2665 1.3854 0.6968 0.1442 0.2016 2.5231 0.1442 0.7580 0.1442 0.6610 0.1442 0.1442 0.6370 0.1442 1.7884 0.1442 0.1442 1,5-anhydroglucitol (1,5-AG) 1.5841 1.1633 0.3805 2.0445 1.1418 1.0940 1.0397 0.2723 0.2878 0.0547 1.0827 1.2647 0.8552 0.7218 0.8565 1.8997 1.4706 1.3347 0.8202 1.0179 1.1687 1.1631 1.1396 0.1129 0.7805 1.3263 0.8108 0.7406 0.4609 0.2792 0.4343 0.7510 0.1308 1.2756 1.3765 1.1898 1.1085 1.0450 0.7955 1.1319 1.1421 0.5120 1.1621 2.0703 0.5964 0.2568 0.6594 0.0927 0.5913 0.7507 1.4500 0.3919 0.8939 0.7061 1.0196 0.6770 0.8206 1.0000 0.7280 0.4901 1.5833 1.1562 0.5279 1.5492 1.0471 1.0195 1.9228 0.7356 1.4383 1.0935 0.8631 0.9387 0.7414 0.5204 0.7825 1.7126 0.8696 1.0092 0.8742 1.3620 0.8325 0.9370 1.0802 1.0331 1.1757 1.2688 0.6825 1.0438 0.7120 1.5341 1.2334 0.9670 1.3169 0.5759 1.4755 0.6348 0.0202 0.6088 1.0227 1.0377 1.5476 0.2294 1.4512 0.2552 0.6937 1.0319 0.8959 0.7086 1.1854 1.5089 1.0644 0.9820 1.5172 0.0863 1.4442 1.0301 0.4122 0.1349 1.2097 1.3527 0.8320 0.4766 1.2393 1.3761 0.8290 1.7650 0.8063 0.6773 2.0502 0.8889 1.3546 1,6-anhydroglucose 4.2999 0.1132 0.7284 0.7108 1.4620 3.5181 1.7272 2.7722 0.6584 1.1923 1.1022 1.0355 2.5464 0.7225 0.1132 3.1199 2.2381 0.1132 0.6542 0.1132 1.6408 0.3143 0.2753 0.9526 0.1132 0.1132 1.0000 0.1132 0.1132 1.4822 0.1132 6.6081 0.6613 2.7108 0.3002 2.1926 0.8426 1.0756 1.3980 0.1132 1.8018 1.8155 0.1132 0.2750 3.0682 0.1132 0.4676 0.1132 1.6995 0.4933 1.3020 0.9648 0.6259 1.2178 1.1162 0.5913 4.4175 1.3437 0.2222 0.1132 0.4594 1.7539 0.1132 0.9556 1.5687 0.1132 0.7428 0.1132 1.2572 1.2120 0.2903 1.4714 0.5870 0.1132 0.1132 0.1132 4.4035 0.1132 1.1023 0.1132 0.1132 1.2515 0.2867 0.4953 0.9291 0.1132 0.1324 0.1891 0.1132 0.1132 8.2438 0.1132 0.1132 0.5276 2.9195 0.1132 0.1132 0.4115 0.9616 0.1132 1.4066 0.8839 0.2926 0.1493 0.6948 0.4723 0.1132 0.1132 0.1668 1.9139 0.6799 0.1132 6.3298 0.1132 0.4684 1.8997 2.5559 0.1132 0.3796 0.1132 0.1132 0.1132 0.1132 0.1132 0.1132 0.1132 0.1132 1.7357 0.9041 0.1132 0.3514 1,7-dimethylurate 1.7347 0.9449 0.0541 0.1024 0.1369 2.0530 2.0727 2.8530 3.8566 1.5164 2.6172 1.7177 0.2233 1.4948 0.2677 0.4159 0.0693 0.2113 0.3705 1.5697 0.1919 0.0436 0.9158 1.0551 0.0547 0.3163 0.7924 0.0514 0.0363 0.0275 0.8759 2.8063 2.6615 0.8273 0.0802 1.4726 2.7083 0.0343 1.2143 0.0275 1.3310 0.9156 0.1005 0.0788 1.2907 0.2294 1.3464 0.0658 2.8527 1.2931 3.0519 2.9858 0.9411 1.3355 1.2731 2.6153 1.8505 0.3717 0.2687 0.0275 0.6814 1.5216 1.1962 0.0718 1.6638 0.5894 0.1527 0.1468 0.1550 1.1009 1.4733 0.4007 0.4473 0.3635 1.1615 1.9667 3.7708 1.8496 2.5536 0.9371 2.3131 1.9973 2.9223 1.5322 1.3102 0.0275 1.4292 0.0663 4.1929 0.3341 0.7548 1.7857 0.1923 0.3407 0.6033 4.3176 0.0598 0.3643 0.4701 0.1965 3.5731 1.2526 0.3051 2.3591 2.6569 1.1068 1.5765 0.2409 1.4030 1.8381 1.7310 0.0576 3.5765 0.8743 1.3320 4.2789 1.6099 0.6741 0.3709 2.6507 0.2606 1.3655 0.0753 1.3897 0.3227 0.5333 1.3422 0.0528 3.8500 0.1500 0.2338 1-carboxyethylleucine 1.0919 0.3740 2.2398 1.0599 1.0413 1.1564 0.5394 2.2354 0.7232 1.5708 0.3740 1.0971 0.4421 0.3740 0.8481 0.9001 2.3272 0.6216 0.8129 0.8689 1.5450 0.7446 0.3740 3.0800 0.7066 0.3740 0.3740 0.6694 0.3740 1.2333 2.4285 0.8842 3.3459 0.6389 2.3833 0.6136 0.3740 0.8263 2.8895 0.3740 1.8801 1.0529 0.4808 0.7762 4.7263 1.2198 0.3740 5.1107 3.1084 0.8622 1.2576 1.6820 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.6757 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.8671 0.3740 0.3740 0.3740 0.3740 0.8253 0.3740 0.3740 0.3740 0.3740 0.3740 0.3740 0.9587 0.5675 1.2545 1.5294 0.6373 0.3740 0.3740 3.4040 0.3956 0.3740 0.5349 1.3663 0.9406 0.4308 2.5067 1.2372 1.0423 1.0769 0.9473 1.7663 0.5527 0.3740 2.8628 1.4609 0.3740 0.6863 0.3740 1.5455 0.5489 0.3740 0.4717 0.6331 0.5378 0.3740 0.3740 0.5241 1.0722 1-carboxyethylphenylalanine 2.0712 0.6182 2.3444 1.3508 1.9538 2.8249 0.8049 4.0974 1.3951 2.5209 0.6740 2.0421 0.8992 1.0785 1.0213 0.6400 1.8387 0.6359 1.1819 1.1266 2.7144 0.6933 0.8614 2.7789 0.9704 0.7995 0.8556 0.7401 0.4295 1.5583 2.0957 1.3279 3.5483 0.8137 3.2589 0.8109 0.6465 0.8122 4.9829 0.4570 2.1721 1.9062 0.8481 0.9990 6.4567 1.2804 1.0069 4.1906 6.6453 0.9489 1.8681 2.7812 0.4580 0.6287 0.6278 0.5763 0.7294 0.4489 0.4098 0.7273 1.1305 1.2919 0.4884 1.0239 0.6748 0.6445 0.9436 0.6361 0.6791 0.6843 0.8682 0.6745 0.5289 1.0030 0.5813 0.7026 0.8598 0.6225 0.6437 1.0332 0.5997 0.6841 0.8228 0.9604 0.4747 0.5226 0.6345 1.1989 0.8675 0.6696 0.4098 0.6268 0.6114 0.5038 1.8476 1.1215 1.1871 2.4248 1.0745 0.8850 1.0284 5.6793 1.0148 1.0580 1.1469 1.9414 0.7602 2.0521 2.4404 1.5279 1.2601 1.0284 1.0997 1.9385 0.5999 1.4345 4.1729 2.0291 0.5983 1.0010 0.6841 2.0962 0.7901 1.0508 0.8242 1.1045 0.9221 1.1696 1.1347 0.6036 1.1630 1-carboxyethylvaline 2.2510 0.5640 2.2021 1.3071 1.0000 2.1002 1.4448 3.4681 1.3186 2.6344 0.9343 1.4787 1.2482 0.9874 1.4682 1.2373 2.5633 0.6228 1.2771 0.9325 2.7950 0.8139 0.8834 3.7494 0.7066 1.1443 0.7616 0.9896 0.5583 1.9639 3.2453 1.9574 3.3417 1.3992 3.0785 0.9400 0.6776 1.1472 5.8184 0.5406 2.1630 1.9479 0.9065 0.8773 6.0011 1.4877 0.9727 6.4035 5.4439 1.0424 1.7437 2.9827 0.4325 0.6748 0.6957 0.5552 0.6351 0.4456 0.4568 0.6028 1.7570 1.1423 1.1243 0.9994 0.6475 0.5988 0.8739 0.4325 0.8454 0.9056 0.6535 0.6627 0.4325 0.9070 0.4855 0.8139 0.7618 0.4325 0.6557 0.8251 0.8075 0.6906 0.8665 0.8885 0.5777 0.7688 0.7337 0.9891 0.6288 0.8512 0.4807 0.4743 0.9543 0.4816 1.9413 0.7475 1.2012 4.5996 0.8602 0.7560 1.0407 3.4063 1.1712 0.8848 1.7158 2.1483 0.9104 1.2465 2.3286 1.5571 1.4592 1.3114 1.0259 2.2884 0.5766 1.0879 4.0688 2.1457 0.7034 1.1472 0.4325 3.3100 0.9672 1.3208 1.3208 1.0172 1.1793 1.3356 0.7843 0.5670 1.0367 1-hydroxy-2-naphthalenecarboxylate 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1-linoleoyl-GPA (18:2)* 0.8046 1.2036 0.3803 0.7521 3.3778 0.3803 1.1596 1.1159 1.7302 1.8481 1.6438 2.0534 0.7542 1.2586 1.2115 0.5750 1.1353 0.8706 0.7197 1.9207 1.4007 0.8329 2.5330 0.5579 1.1841 1.1702 1.0129 1.2353 1.4153 0.8786 0.6301 0.6469 1.1109 0.4742 1.4966 0.9289 1.1116 1.0597 1.0778 0.3803 1.2417 0.7446 0.9569 0.5962 1.5010 1.4212 1.3318 3.0359 1.1559 1.3260 1.3919 0.8014 0.7159 1.6814 1.5249 0.9694 2.5972 1.1203 0.9981 2.3640 0.8085 1.7239 1.3882 1.4507 0.7138 1.0234 1.2872 0.8759 0.7463 0.8450 0.6828 0.8135 0.6262 1.3976 1.3830 1.8427 1.0000 1.2332 1.1969 0.9756 0.9109 0.8743 1.4328 1.4820 1.4405 1.5214 0.7251 1.4503 1.0485 1.4715 1.2049 0.8036 0.7199 0.7024 1.3511 0.5835 1.5506 0.5874 0.4561 1.2649 0.8795 0.7144 0.8383 0.7766 0.8319 0.6732 0.5905 0.6181 0.9357 0.7655 1.1709 0.6152 0.9620 0.3803 0.4095 1.6792 0.6527 0.7913 0.5138 2.1068 0.6455 0.7959 0.6505 1.2534 0.4042 0.4914 0.5126 1.6779 0.8076 0.3803 0.8815 1-linoleoyl-GPG (18:2)* 1.2341 1.4370 1.2266 1.0258 0.7264 0.9162 0.9186 1.7490 0.6883 2.1960 1.1909 2.2430 0.7667 0.9632 0.7146 1.0855 1.2741 1.0203 0.7674 1.7702 0.8660 1.8601 1.6209 1.7933 1.2823 0.9245 0.8338 1.3265 0.6946 0.7725 0.7867 1.0584 1.8799 1.2102 0.8865 1.4550 0.7940 0.8665 1.0093 0.9603 1.6030 1.2852 1.2012 1.4810 2.0839 0.8029 1.0302 2.0436 1.1647 0.9375 1.5205 0.7982 0.6932 0.8295 0.8517 0.8941 1.1491 0.8158 0.7887 1.0473 1.1961 0.8085 0.9544 0.9752 0.8978 0.8040 1.2482 1.0479 0.5306 1.2476 0.9179 0.8764 0.9459 0.9164 1.0420 0.7980 0.9503 1.0000 0.6257 0.9946 0.6515 1.2558 1.2899 0.9657 1.5909 0.9738 0.7139 1.1275 0.7810 0.9393 0.7519 1.0229 0.8836 0.8619 1.1636 0.7842 1.7069 1.0379 0.9330 0.9304 1.5572 1.7059 0.6818 1.3906 0.8577 0.7537 1.0032 0.9876 0.8875 1.0811 1.7202 0.7941 1.2860 1.2558 0.9388 1.9016 1.4514 0.9201 0.9426 1.3412 1.3208 0.9587 0.9816 1.3861 1.1561 1.0501 1.0545 1.3037 1.5765 0.6972 1.3759 1-methyl-4-imidazoleacetate 1.3321 1.1146 0.9637 1.0000 0.8222 1.8530 0.9877 0.7727 0.8581 1.4234 1.1535 1.4824 0.7717 0.9316 0.7847 1.0912 2.8120 0.9521 2.1737 0.8016 1.2133 0.7545 0.8537 0.9512 0.9966 0.9341 2.4788 1.0374 0.5628 0.6218 1.1277 1.3017 1.6443 0.8834 1.0940 0.6175 0.7356 1.5556 3.0854 0.9972 0.9850 1.6992 1.3664 0.8015 2.6685 0.6353 0.9801 0.9902 2.6234 1.3452 1.4236 1.9712 0.8648 0.9702 0.9800 1.0434 1.0047 0.7095 1.1493 0.6859 1.2042 1.1830 0.7555 0.4417 0.9558 1.0903 0.9354 0.9974 0.4257 0.6823 0.6294 0.9611 1.1034 0.5304 0.6785 1.1964 0.8717 0.8525 1.2281 0.5928 1.0264 0.9571 1.0957 1.2632 0.9105 0.6249 2.4029 1.2764 0.7164 1.0678 1.2776 0.3537 1.3595 0.7739 2.4114 1.9402 0.6407 1.7536 1.2696 2.0034 0.6348 1.3438 0.5406 1.0569 1.0320 0.8591 1.3875 1.5854 0.8694 1.0659 0.8343 1.7765 1.4075 1.2620 0.7180 0.8179 1.9927 0.8600 0.8536 1.2399 0.9482 1.0596 1.3299 1.8810 0.8042 1.6133 1.1337 2.5546 1.3150 0.8995 0.7406 1-methyl-5-imidazoleacetate 0.2335 0.1943 0.2067 0.9835 0.8908 3.0893 0.6224 1.2573 0.1696 1.2678 0.0347 0.8118 0.0347 0.1095 1.9964 0.0347 7.6590 0.0347 9.0074 0.4710 0.7384 0.0347 0.1847 0.5647 0.3658 0.4146 6.9062 0.3222 0.0347 0.2652 1.1456 0.7474 0.0347 0.0347 0.0347 0.3908 1.3875 3.6249 1.7855 0.4674 0.6820 0.1938 0.0347 0.0347 4.4955 0.0347 1.6728 1.5804 11.1955 0.6693 2.4074 0.4992 2.2626 1.6690 3.1474 0.4268 0.5190 0.1507 1.0357 0.0347 1.8034 2.0054 0.0347 1.3642 0.9443 2.3588 1.5648 0.4031 0.5449 0.0732 1.0762 1.4136 1.2911 0.3791 0.0347 2.6892 3.5436 0.9127 2.2771 0.0347 0.8281 2.2826 0.8615 0.5908 0.4762 0.3864 2.9567 1.5117 0.0347 1.2627 4.1033 0.3353 1.0000 0.0347 7.3675 1.1472 1.9216 2.2058 0.5158 3.0155 0.2646 3.1426 0.4388 0.1373 0.8626 0.7425 3.5400 1.7463 0.2552 0.0347 0.9981 1.4276 0.8197 0.2845 3.6649 0.2611 6.6595 2.4618 0.6254 1.1871 3.2368 0.6085 2.7024 7.0567 1.3025 3.9967 2.7423 0.9121 0.2542 0.0347 0.0347 1-methylhistidine 0.5724 0.8250 1.2481 1.7373 0.5219 1.4699 1.2203 1.2158 0.7113 1.3631 0.7044 1.0585 0.7345 0.8847 1.8288 1.1450 2.9933 0.3955 3.4054 0.6179 1.2068 0.8759 0.5274 0.6598 0.4467 0.9227 2.5981 0.8234 0.5769 0.8118 1.3030 1.1253 0.6767 0.8332 1.1864 0.7632 1.1780 1.6738 0.9014 1.0261 0.9305 0.9687 0.7660 0.9383 4.8599 0.4440 1.8976 1.4918 4.9812 1.0582 1.2079 0.3715 0.8127 0.8533 0.8401 0.7483 1.0213 0.7246 1.0668 0.4141 1.4207 1.1498 1.0000 0.8537 0.5298 0.8986 1.3658 0.7377 0.4172 0.6408 0.7965 0.8272 1.2116 0.5106 0.6764 1.7053 0.8772 0.6909 1.2638 0.5338 0.9321 1.5215 1.7580 0.8085 0.8607 0.6554 1.3008 1.2672 1.0763 0.6390 2.6309 0.7711 1.7752 0.3801 2.5539 1.1727 1.1621 0.8838 1.4102 1.3320 0.7860 1.3594 0.7461 0.8237 1.5998 1.6504 1.1836 1.2940 1.4767 1.9275 0.9765 0.9332 1.4688 0.5823 1.0878 1.8687 3.3494 1.2027 1.0206 0.9897 1.2742 0.3902 1.4531 2.0866 0.6337 1.6484 1.0028 1.6485 1.7986 0.9049 0.8825 1-methylnicotinamide 0.4862 1.2585 0.8256 1.6611 0.3729 1.1152 1.0362 0.5327 0.5571 0.5393 1.3988 0.6446 0.5374 0.5863 0.9640 2.3287 1.4638 1.3899 1.2432 1.6935 0.5573 2.3112 2.1308 1.0408 0.7191 0.8645 0.7697 0.8467 0.7903 0.6490 0.5057 1.4274 0.6336 0.8222 1.0964 2.0742 1.1518 0.7236 1.1101 1.5823 1.7298 1.6168 1.0579 1.4638 0.7024 1.6416 0.5346 2.1593 0.5265 1.0972 0.8898 0.8430 2.0038 1.1992 1.3159 0.6756 1.0888 0.4716 1.9339 0.1484 1.0327 2.7390 2.6113 0.7046 0.7827 1.3730 0.9042 0.9575 0.7573 2.9817 1.0560 0.9043 2.6085 0.7136 2.2005 1.0000 1.0097 1.4127 0.8398 0.6720 1.4594 1.6131 2.2442 0.8086 1.8765 0.5679 0.8482 0.4065 1.3121 0.9815 1.1993 1.4729 0.7448 3.1852 0.3946 1.4779 0.8070 0.7705 1.2149 1.1209 0.8502 0.7451 0.6942 1.2970 0.9317 0.6039 1.1767 0.7571 2.3818 0.4732 2.3344 0.8813 1.4624 0.9931 1.6730 0.6055 0.8869 0.6350 1.2640 0.9001 1.4712 0.7073 2.3955 1.7528 0.9869 0.9618 1.3592 1.2759 1.1861 0.6025 0.8418 1-methylurate 1.4879 0.7333 0.2018 0.2687 0.1152 2.7769 3.6802 1.9077 1.4105 0.7836 1.0092 1.1007 0.0594 0.0594 0.6263 0.4666 0.2243 0.2178 0.9160 2.2810 0.0594 0.1123 0.3169 1.5138 0.0594 0.0594 1.6597 0.1236 0.0594 0.1570 0.6425 2.5077 0.9908 1.7081 0.0594 0.6887 3.9456 0.1575 1.1005 0.1089 1.3684 1.8460 0.1171 0.1114 0.8216 0.0933 0.6608 0.1028 4.5822 0.4908 1.0638 4.9997 0.8016 3.8669 4.4914 6.0252 4.0081 0.5026 0.3499 0.0848 0.7058 1.5733 1.5234 0.0594 2.9002 0.5646 0.2716 0.2062 0.5001 1.6366 1.4676 0.7601 0.0594 0.4354 2.0859 1.7723 4.3167 2.6503 3.6260 1.2293 2.1759 2.2069 7.1695 2.2198 1.9841 0.1189 2.2553 0.2135 4.1441 0.0594 1.4487 2.2456 0.2437 1.3304 0.0594 4.3878 0.1022 0.3144 2.0544 0.3740 3.1067 4.1389 0.0594 2.5483 2.1560 0.4293 1.0887 0.2368 0.8996 2.0771 0.9205 0.1088 4.1356 0.5269 3.0170 3.9818 1.1184 0.2577 0.3495 2.5588 0.3220 1.0440 0.2488 2.0985 0.3624 0.9584 0.6110 0.1472 4.9325 0.1990 0.2745 1-methylxanthine 1.6492 0.5459 0.0627 0.0627 0.2359 1.7153 2.4162 8.0208 1.4092 0.9521 0.8567 0.8707 0.2058 0.4466 0.5064 0.4267 0.1319 0.2812 0.7435 2.0726 0.2375 0.0627 0.3869 1.2261 0.0627 0.3589 0.6304 0.0767 0.1216 0.0627 0.5147 1.6498 0.7004 1.1304 0.0627 0.6901 1.9874 0.0627 1.1253 0.1004 1.2570 1.0166 0.0627 0.1471 2.0540 0.2096 0.5794 0.1457 2.1212 0.5208 1.0768 5.3605 1.3032 2.6739 2.4832 5.1511 2.3084 0.4521 0.2318 0.0627 0.8577 2.2552 1.3824 0.2152 3.3276 0.5491 0.1757 0.3379 0.3961 2.4216 1.2795 0.3994 0.1720 0.5532 1.4479 2.3681 6.3807 2.3855 2.1454 1.8239 2.0915 1.7846 5.7547 1.4210 1.6559 0.0627 2.9295 0.1076 3.8388 0.3146 1.9826 1.7037 0.0627 1.1592 0.8334 3.0981 0.0627 0.4528 1.8207 0.0627 2.2127 4.3915 0.5672 2.1054 2.2452 3.1411 0.9834 0.1544 0.5637 1.2316 1.0978 0.0627 3.9977 0.9256 1.7023 2.2920 0.5629 0.4631 0.3182 2.0741 0.1923 0.9212 0.0627 2.8308 0.3467 0.4812 0.4398 0.0627 3.8544 0.1244 0.1308 1-oleoyl-GPS (18:1) 0.8183 1.1340 3.4480 0.2817 0.1829 0.1829 0.3025 0.6811 0.8618 0.2259 1.7651 2.3497 0.9908 0.4362 2.8929 1.0315 0.2393 1.7550 0.2618 0.2789 1.1107 3.1178 0.6477 0.1829 4.6424 0.4532 1.8339 0.7843 2.2163 3.4376 0.4707 2.3443 0.6435 0.3405 0.8288 1.1721 9.5994 1.4775 1.0000 0.1829 0.5945 1.0789 2.5411 1.3911 2.6971 0.9024 2.6616 0.6413 0.5454 3.3924 0.8767 0.9175 1.0856 0.2281 2.2506 1.4579 0.6776 1.6184 1.2357 0.9825 0.3846 0.3885 1.0149 0.6258 0.9542 1.7464 2.4932 1.7796 1.2061 0.9971 1.1820 0.1829 0.2153 2.6515 0.8755 1.6906 1.8271 0.5492 3.9262 4.1679 2.7944 0.7625 3.0265 4.2526 0.2002 1.2830 4.2621 5.3961 3.1019 5.0546 0.3622 0.4555 4.0653 0.1829 0.8256 1.0833 0.1829 0.4335 2.1296 0.6643 0.5300 0.7424 0.5739 0.6862 1.4038 0.4384 0.1829 0.4640 1.7160 0.1829 2.3932 0.2895 1.7171 0.4815 0.8713 0.5917 1.3216 0.1829 1.6155 0.7927 2.8652 0.1829 2.3535 0.3250 0.1829 0.8101 0.3114 0.1829 0.1829 0.1829 0.6000 1-palmitoyl-GPG (16:0)* 0.9513 1.1893 1.3658 0.7976 1.1189 1.4101 0.7461 0.9084 0.9098 1.5265 1.2593 1.5875 0.8375 1.1094 0.8358 0.9330 1.1143 0.9025 0.8879 1.1166 1.3100 1.4031 0.9031 1.6884 1.5353 1.0348 0.8964 0.8901 0.9572 1.0326 1.0560 1.0626 2.2258 0.8172 1.1397 1.3230 0.8039 0.9109 1.1416 0.5941 1.9709 1.2365 1.2194 0.9139 2.3113 1.1679 0.8955 1.0506 0.8498 1.2987 1.7804 0.8632 0.8575 0.6434 0.8002 0.7047 1.7157 0.8550 0.8458 0.4311 1.4057 0.8963 0.5935 0.8252 1.2388 1.2039 1.0837 1.0113 0.9172 1.3395 0.7222 0.4619 0.6690 0.7564 0.8075 1.0000 0.9806 0.6188 0.7336 0.6987 0.4929 0.8410 1.0003 0.9836 1.7806 0.6643 0.8827 0.8620 1.0191 1.0595 0.8129 0.9702 1.0077 0.5470 1.1706 0.8607 1.2710 1.0608 0.9515 1.0261 0.8092 1.8283 0.7335 1.1889 1.1160 0.8839 1.3493 1.1780 1.0830 1.0404 0.9464 0.7020 1.1147 0.9682 0.7615 1.7206 1.5739 0.9935 1.0544 1.9587 1.0016 1.4890 1.1383 1.3034 0.9702 0.8238 1.4499 1.4062 0.9593 0.8110 1.5160 1-ribosyl-imidazoleacetate* 1.2784 0.6631 0.7889 0.9010 0.7841 1.6993 0.4252 0.5512 1.0202 1.6653 0.9021 1.8089 1.1272 0.7982 0.8407 1.2646 1.6864 0.4829 1.5667 0.5280 1.4705 0.8900 0.4422 0.9619 1.2550 0.6518 2.0380 0.8570 0.6502 0.8610 0.8034 1.9018 1.2176 0.6807 0.9586 0.5367 0.4417 1.1889 2.6330 0.4404 1.2645 1.5156 1.0321 0.4996 2.0792 0.4757 0.5947 0.4644 3.3052 0.9381 1.5132 1.8802 1.0992 1.0000 1.3144 1.2974 1.3665 0.8589 0.7879 0.9387 1.0683 0.8540 0.4656 0.5943 0.7261 0.9225 0.9990 1.0257 1.1435 0.9757 0.8752 1.2343 0.8504 0.5205 0.7199 1.0672 1.1519 0.8610 0.9133 0.6358 1.6831 0.7285 1.4505 1.0669 1.4898 0.4343 2.1262 1.4022 1.3424 1.0477 0.9398 0.6613 1.1978 0.5065 1.3664 1.4518 0.5494 1.6749 0.8947 1.7771 0.4912 1.5330 0.9514 0.9606 1.0924 0.7303 1.1737 1.4546 0.9677 1.7671 1.3392 1.4237 1.5444 1.0099 0.4996 2.1764 2.5525 0.9624 1.1373 1.5969 0.6289 1.0553 1.0756 1.3195 0.8693 1.6474 0.6456 2.3712 1.1173 0.9374 0.9794 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 1.0595 0.2219 1.6331 0.7389 0.2219 0.2219 0.6332 0.8412 1.2380 0.2219 1.4313 1.3012 0.6854 1.5495 0.8844 1.4601 0.4601 1.5500 0.4214 0.9141 1.3990 2.2009 1.6169 0.2219 2.5842 1.0237 1.1147 1.1051 1.4193 1.3098 0.9091 1.3639 1.2208 1.8325 0.9712 0.9818 1.8447 1.3080 0.8858 1.1042 1.4395 0.7790 1.3726 1.6594 1.1451 1.0122 1.4953 0.2219 1.3131 1.8525 1.2587 0.7400 1.0640 0.4292 1.1761 1.1250 0.9672 0.5008 0.9705 0.8603 0.5366 0.2219 0.6744 0.7621 1.2542 0.9994 1.4002 0.9310 0.7714 0.2219 1.5799 0.6908 0.4028 1.1652 0.2219 1.5390 0.9812 0.5812 1.2575 1.5278 1.8533 0.7233 0.5236 1.4176 0.2584 1.0000 1.9577 1.3717 1.4298 1.3869 0.2219 0.7396 0.4393 0.2219 0.5349 0.3668 0.2219 0.3976 1.5455 0.9020 1.3717 0.3172 0.3527 0.2219 0.2219 0.8696 0.2219 0.9595 2.0556 0.2699 1.7113 0.5522 0.8113 0.4908 0.8352 0.5583 0.8295 0.4700 0.7827 1.2584 1.2423 0.5079 1.1609 0.2219 0.2219 0.8773 0.5105 0.2219 0.2219 0.5218 1.1246 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 0.8574 1.6310 1.1488 0.7642 1.4666 0.7962 1.1813 0.9758 2.0482 1.0026 0.5125 1.0820 0.3655 1.1877 0.9998 0.5676 1.4353 0.7549 1.1286 0.4274 1.2174 0.8172 0.9467 0.7189 0.5671 1.1508 0.9715 0.8885 0.6702 0.3574 0.8832 1.1011 0.8971 0.4134 0.5721 0.8717 1.1738 0.9919 0.9503 0.5756 0.7246 0.5964 0.6335 0.6944 1.1349 0.5686 1.4669 1.5089 0.3574 0.7534 1.1711 0.8119 0.9505 1.0478 1.2475 1.6544 1.9174 1.8176 1.9983 0.8124 0.6794 1.0635 2.2034 1.0834 1.0659 0.9916 1.4145 0.9726 1.0253 0.8959 0.7337 1.4411 1.6364 1.0169 1.2931 1.0000 0.9516 0.8112 2.9248 1.2383 1.1295 1.0782 1.1687 0.8140 0.3574 1.3786 2.9484 1.5994 1.2317 0.5617 1.0298 0.9499 1.1200 1.3548 1.3478 1.3903 1.4265 0.8349 0.7181 0.5561 0.7174 0.9183 1.2979 1.1309 1.3218 0.9647 1.7928 1.2807 0.6452 0.7977 1.3223 0.9953 0.9357 1.0622 0.9602 0.8522 1.0828 0.9240 0.7399 1.1976 1.7240 0.7961 1.0326 0.8449 1.1670 1.0490 1.0901 0.9820 1.0255 0.5557 0.7196 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 1.3610 0.7033 2.8132 0.5340 0.1648 0.3314 0.6765 1.2978 1.1050 0.4359 2.1925 1.9833 0.8072 1.3314 1.5791 1.1753 0.8263 2.0488 0.4703 0.7967 2.0014 3.7371 2.6994 0.2726 2.7052 0.8913 1.0991 1.6965 1.8271 2.1891 1.1018 1.8582 2.0387 1.8930 1.1995 0.9390 2.4224 1.6095 0.9277 0.9730 1.6633 1.3124 1.6788 2.2032 1.7869 1.2747 1.9482 1.4088 1.6411 2.6697 0.8190 1.0067 1.4834 0.3664 1.8509 1.0426 0.9245 0.5926 1.0986 0.8264 0.4095 0.3405 0.9374 0.6947 1.0769 0.8398 1.2819 1.2042 0.7039 0.4113 1.2053 0.6977 0.4207 1.4551 0.7651 1.4611 1.0000 0.4381 1.3702 1.8814 2.3471 0.7148 2.3568 1.6501 0.3620 0.8990 2.0507 1.5271 1.6628 1.5918 0.2821 0.8746 1.8632 0.2614 0.6163 0.5563 0.3985 0.4954 1.6816 0.8902 1.1028 0.4762 0.5575 0.6934 0.6104 0.9766 0.3599 1.1963 2.2829 0.4982 1.9692 0.7562 0.9879 0.7768 0.6250 0.5762 1.0557 0.3994 0.6903 1.8262 1.2449 0.4722 1.6811 0.3631 0.1889 0.9813 0.7358 0.2004 0.5028 0.6115 0.8720 1-stearoyl-GPG (18:0) 0.3900 0.7370 1.6030 0.8290 1.0091 1.0089 0.3900 0.3900 0.9952 1.5421 0.3900 1.2140 0.3900 1.0065 0.3900 1.0681 0.3900 0.3900 0.3900 1.5005 1.0297 0.3900 0.3900 1.6030 0.7741 1.4482 0.8883 0.5700 0.3900 0.8180 0.8258 1.0084 2.1339 0.3900 0.3900 1.3531 1.2157 0.8234 1.2369 0.3900 1.2901 0.3900 1.2626 0.9193 2.4510 0.3900 0.3900 1.3552 0.3900 0.3900 0.9924 0.3900 0.3900 0.3900 0.3900 0.5149 1.6718 0.3900 0.8893 0.3900 1.2891 0.3900 0.7663 0.6622 0.8189 1.0782 0.8704 1.1362 0.7290 0.3900 0.3900 0.3900 0.3900 0.6550 0.3900 0.9522 0.3900 0.3900 0.3900 0.3900 0.3900 0.9350 0.3900 0.9425 1.4966 0.3900 0.8421 0.3900 0.3900 1.6159 0.3900 0.3900 1.0456 0.3900 0.7136 0.3900 1.2951 0.8706 0.9642 0.7533 0.9805 2.3455 0.3900 0.7127 1.5213 0.3900 1.2324 0.3900 0.9846 0.3900 1.1985 0.8715 1.3044 1.0048 0.3900 0.7852 0.8835 0.3900 0.8778 1.3337 0.9420 1.3935 0.7476 1.0088 1.3129 0.9749 1.0821 1.3696 0.3900 0.6641 0.9209 1-stearoyl-GPS (18:0)* 0.7668 1.3636 2.5630 0.3574 0.0991 0.0728 0.3483 0.7129 1.0122 0.2546 1.3815 1.6119 0.9588 0.7625 1.8930 1.2729 0.3529 1.3412 0.4476 0.5452 1.3810 2.2312 1.2841 0.4065 3.5668 0.7450 1.1631 1.1195 1.4439 2.5449 0.7509 1.7084 1.2329 1.2713 0.7601 1.1240 5.4649 1.4149 1.1674 0.3550 1.0438 1.0206 1.9573 1.4336 2.2194 1.0959 1.9300 1.1527 0.7577 2.3393 1.0573 1.1910 1.0812 0.3685 1.6432 1.3044 1.0000 1.1019 1.0713 0.9526 0.5219 0.4368 0.9521 0.5979 1.1003 1.4655 1.9440 1.1575 1.3944 0.7445 1.5087 0.3202 0.3508 2.2616 0.7631 1.4390 1.6172 0.5551 2.4920 2.3770 2.4811 0.7475 2.8940 2.6202 0.2886 1.2376 3.2058 3.2749 1.8378 3.0150 0.3190 0.4352 3.1312 0.1135 0.7468 0.8277 0.2071 0.4286 1.4193 0.8529 0.7778 0.5448 0.3801 0.4107 0.8109 0.5927 0.2957 0.6089 1.5787 0.3230 1.7909 0.4466 1.0912 0.4600 0.6002 0.5281 0.9761 0.2213 0.8554 0.9425 1.9981 0.5054 1.7839 0.3311 0.1852 0.6924 0.4087 0.1800 0.2458 0.3685 0.7527 10-heptadecenoate (17:1n7) 1.2614 2.7793 2.2353 0.5892 0.9168 1.1874 1.2736 0.4185 0.7491 2.1023 3.8468 0.6704 2.6665 2.2431 1.8737 1.6136 0.1696 1.0358 0.7155 1.8808 0.7956 1.7539 1.7437 0.7938 2.5342 1.3957 1.0000 1.2884 0.6272 1.1490 1.2945 0.5594 1.4837 1.0254 1.0729 0.7556 0.7448 0.3854 0.6597 0.7435 0.3421 1.4401 0.7043 1.1221 0.8507 0.8697 0.9453 0.9664 0.4502 1.3209 0.5432 0.3448 0.7678 0.6266 0.2572 0.8746 0.5006 0.8406 1.2937 0.4396 0.7543 0.9040 0.7374 0.4067 1.5287 0.8642 0.6583 0.8488 0.3973 1.9659 1.1119 0.9524 0.9533 1.1513 0.7791 0.3368 1.3466 0.9945 1.5884 0.7252 1.4364 1.0898 1.0710 0.9492 0.5495 0.3661 0.5443 0.8221 0.6954 0.2869 0.4717 0.2892 0.4645 0.2595 0.0725 2.0066 1.3899 0.9289 1.4612 1.1472 1.0549 0.5026 0.8867 1.1740 1.3006 0.7965 1.6011 1.8343 1.4808 1.5135 1.2601 1.3219 0.8080 1.3295 1.2376 1.5018 1.0505 1.2724 0.9318 1.4199 1.1340 1.3452 0.8971 1.0813 1.0765 1.6652 1.9953 1.5703 3.2855 1.4106 1.1418 10-hydroxywarfarin 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 10-nonadecenoate (19:1n9) 0.9802 2.7183 1.6032 0.5131 0.9895 0.8621 1.2062 0.5032 0.6177 1.5560 3.0484 0.6780 2.1452 1.8433 1.5874 1.3506 0.2707 1.0400 0.7583 1.2173 0.7284 1.2766 1.4212 0.6244 2.2362 0.9697 0.9371 1.2718 0.7065 1.1004 1.1577 0.4837 1.1344 1.1178 0.9103 0.5565 0.5728 0.3902 0.6489 0.7467 0.3982 1.3274 0.7050 1.0250 0.8348 1.0314 0.8601 1.2682 0.4527 1.0903 0.5853 0.3350 0.8104 0.7227 0.2858 1.1139 0.5661 0.6487 1.2799 0.3910 0.7178 0.7075 0.5923 0.6299 1.0033 0.9792 0.7204 0.8087 0.7052 1.5567 1.0618 0.7843 1.2015 1.0488 0.6707 0.3272 1.5622 1.0000 1.4664 0.4899 1.2696 1.1594 1.2855 1.1477 0.6848 0.3953 0.8410 1.0255 0.7564 0.3460 0.5203 0.3704 0.6032 0.3896 0.0850 2.2380 1.8505 1.2902 1.2578 1.0613 0.9284 0.6208 0.6795 1.0674 1.0674 0.9859 1.6377 1.2805 1.3198 1.2153 0.8078 1.1978 0.9063 1.3658 1.0009 1.4466 0.9197 1.2274 0.9430 1.3301 1.0959 1.2490 0.9330 1.1039 1.0177 1.8544 1.6390 1.5695 2.0248 1.7752 1.0480 10-undecenoate (11:1n1) 0.3370 1.2274 1.1728 0.9610 0.6118 0.4360 0.9580 0.3423 1.3758 1.0206 1.4628 0.7770 1.2863 2.7294 1.5663 1.3549 1.0050 0.8352 0.7798 0.9983 0.8147 1.2531 2.0249 0.5090 0.7745 0.7496 0.9801 0.8973 1.2919 0.9361 0.8094 0.4569 0.5854 1.1036 0.8026 0.9014 0.7488 1.0732 0.5035 0.5090 0.3575 0.9152 1.5266 1.1798 0.5756 1.0000 0.7315 1.2775 0.2491 1.0934 0.4779 0.5912 0.7656 0.4267 0.4866 1.0629 0.5374 0.8121 0.8142 0.2365 0.7989 0.5216 1.3323 1.1856 1.0974 1.4531 1.1035 1.2049 1.6789 1.5362 0.7156 1.1382 1.7083 1.2206 1.3510 1.3472 0.8534 0.8238 1.8804 0.2806 1.6682 1.5467 1.0739 1.3387 0.7904 1.1191 1.2698 0.8927 2.6124 0.3865 1.0211 1.0422 0.7259 2.1797 0.2074 1.8788 1.2857 0.7189 1.0966 1.1394 1.3446 0.6390 0.7638 1.0979 1.2869 0.8236 0.9539 1.0023 1.4181 2.0536 0.9988 0.8831 1.2305 1.0369 1.0721 1.4829 0.3505 1.4751 0.5061 0.8516 1.7561 1.0008 0.8553 1.5457 0.9002 1.2285 0.9707 0.8302 2.1524 2.2351 0.7234 11beta-hydroxyandrosterone glucuronide 2.0824 1.2386 1.7327 1.1551 1.4773 0.2021 0.7261 0.6962 0.3459 0.4321 1.3870 0.6808 0.8949 0.5326 1.1639 1.0579 1.2453 0.9851 2.1039 0.6424 1.3762 0.7648 0.1588 0.6353 0.4151 1.1523 2.4923 1.0000 0.4377 1.6837 1.8954 1.0887 3.0459 1.4791 2.0040 1.1700 0.9396 1.1412 3.0628 1.3021 1.1012 1.1195 1.7487 0.7697 0.9598 0.5442 1.6845 2.2840 5.0080 0.6765 1.3972 0.7401 0.3486 0.8704 0.6305 0.6834 0.1467 0.4892 0.5054 0.3454 0.7557 0.7633 1.3789 1.1509 0.5323 0.6121 1.0850 0.2858 0.6920 0.3117 0.4230 0.9052 0.3682 0.3941 0.2846 0.7633 0.1467 1.1097 0.2948 0.6367 0.4791 0.5491 0.9743 0.5605 0.7209 1.9477 0.4774 0.1467 0.7332 0.7788 0.6430 0.3942 0.8283 1.0183 1.1879 0.9848 1.8055 1.1433 1.5992 1.5511 1.1132 1.2171 1.2522 1.3468 1.8589 1.6698 1.4056 1.8198 1.5035 2.2890 1.4073 0.8741 1.7519 0.7247 1.8519 1.8865 3.6957 1.7669 1.4655 0.5578 0.3831 0.7310 1.4500 1.7882 1.8016 1.3363 0.4262 0.9547 0.6243 1.3074 1.2547 12,13-DiHOME 0.1684 0.7484 0.1684 1.3543 1.3985 0.5382 0.1684 3.5168 0.6218 1.2796 0.5890 1.5387 0.1684 1.0966 0.5106 1.0000 1.2547 0.7107 0.1684 0.4524 1.9452 1.3176 1.2713 0.7096 0.1684 0.7674 0.8947 0.1684 1.7874 0.1684 0.4054 0.1684 2.7887 0.1684 0.1684 0.6593 0.1684 0.1684 0.9503 0.8078 1.0648 0.3880 0.8142 0.3629 0.8561 0.5111 0.7922 2.9090 2.5878 0.1684 0.6169 0.1684 1.7444 0.8731 1.4365 2.3080 1.1665 0.8670 0.8089 2.6981 0.9927 1.1030 1.6817 1.2744 1.0733 0.9345 0.8887 1.0539 1.0135 1.0032 2.0272 1.3718 0.6942 1.1654 1.8056 1.4572 1.3928 1.4296 2.4965 1.0350 1.6712 0.5201 0.9481 0.7479 1.8344 0.1684 0.1684 1.1326 0.1684 1.2337 1.2190 0.6116 0.9793 1.6649 0.9757 0.8883 1.1462 0.7243 0.5454 1.7453 1.1920 1.3066 0.1684 1.5417 0.9031 1.1703 0.3658 0.4005 0.2530 1.5489 2.4562 0.6030 1.1549 0.6886 0.6588 2.0528 0.6595 0.1684 0.1684 0.6937 0.7609 0.9644 0.1684 0.7335 0.1684 0.4724 0.1684 0.1684 1.6336 0.1944 0.8405 13-HODE + 9-HODE 0.4634 1.2279 1.3987 0.8200 1.1960 0.9750 0.9992 0.5362 0.7419 0.5629 1.0823 0.9072 1.4976 1.5450 1.1094 1.2297 0.3503 0.3874 0.7311 1.9495 1.3202 1.4649 1.6036 0.4360 1.5076 1.4067 0.8010 1.0648 0.7982 0.6791 0.8216 0.8642 1.4392 0.8827 1.0335 0.9597 0.8896 0.7391 0.5123 1.2181 0.9464 0.5880 0.8453 1.4502 0.4977 0.7987 1.1501 1.0897 1.1844 0.9401 0.8373 0.6277 1.2073 1.0422 0.8246 0.9646 0.9057 0.7696 1.1634 1.8067 1.0803 1.4414 1.4093 0.5589 1.3485 1.0255 0.9451 0.8477 0.3662 1.7244 1.9167 1.9508 0.3002 1.3266 1.2271 0.3888 2.1609 0.3454 1.6053 1.0355 1.5877 1.5052 1.6029 1.0417 1.3749 0.8181 0.9307 0.4886 1.0285 0.4635 0.8538 0.7486 0.3173 0.5865 0.7133 1.6483 0.6087 0.8812 1.2667 1.1171 1.7801 0.4766 0.9935 1.1348 1.0000 1.1962 1.2119 1.2381 0.9088 1.3077 1.9504 1.1007 1.1155 0.4385 1.1338 2.0294 1.1980 1.0182 1.0000 0.8990 1.3004 0.9722 0.9392 1.2848 0.8400 0.4695 1.2426 0.7320 2.1153 0.9936 0.9166 14-HDoHE/17-HDoHE 0.8122 1.6635 2.7561 0.3365 0.3365 0.3365 0.6894 0.9871 0.5776 0.3365 1.2332 0.8090 1.2154 1.3913 1.6161 0.6146 0.3365 0.9487 0.7438 0.5619 1.4101 1.7999 2.9223 0.3579 0.3365 0.5982 0.3365 0.6245 1.0879 1.8903 1.1139 0.7828 1.7443 0.8818 0.5696 0.6109 2.9243 0.7919 1.1145 0.3365 0.3365 0.8597 2.1425 1.1896 0.9487 1.6308 0.3365 1.7087 0.6507 1.0404 0.3365 0.3365 1.9114 0.8095 1.7489 1.6510 2.7713 1.0803 1.3317 0.3365 0.3365 0.6793 1.9391 0.7119 0.4586 1.6393 1.3220 0.8098 1.2481 1.0537 0.8139 0.9955 1.4643 1.2656 0.9177 0.9676 2.1743 0.3365 4.3258 3.4291 5.8915 0.7358 2.6963 1.0964 0.3365 1.2326 5.3234 1.2681 2.1416 0.6982 0.9750 0.8513 1.2639 0.3365 0.8425 0.3666 0.6878 0.3365 0.4117 0.3365 0.3365 0.3365 0.3365 0.3365 0.7096 0.3365 0.3783 1.0045 0.6393 0.3365 2.0011 0.3365 0.3365 0.7276 0.3365 0.3365 0.6661 0.3365 0.3365 0.6330 0.3365 0.3365 0.3365 0.3365 0.3365 0.3365 0.3365 0.3365 0.9401 0.3365 0.5862 16-hydroxypalmitate 0.9831 1.3201 1.2555 0.7255 1.2686 1.0084 0.6733 0.8544 0.9229 0.8921 2.2670 0.9121 1.3045 1.7053 1.0060 1.0647 0.4300 0.8007 0.5575 1.6350 0.9674 1.3625 1.5041 1.2409 1.9191 1.1772 0.8637 1.1440 1.0727 1.0059 0.9128 0.6807 1.5456 1.0290 1.3027 0.8433 0.8369 0.4587 0.8828 0.8409 0.9291 1.1320 0.5765 1.2843 1.3508 1.2629 1.0000 1.6384 0.7331 1.1149 0.8316 0.4354 0.8147 0.5971 0.5943 1.1397 0.9966 1.0055 1.0380 0.7538 0.5936 0.8564 0.8991 1.0312 1.0093 0.9898 0.8248 0.8319 0.7970 1.1200 1.4839 1.1845 0.7173 0.9540 0.8768 0.5629 1.1731 1.0917 1.2106 0.6056 1.1709 1.3340 1.2299 1.1674 0.9965 0.6576 0.7837 0.9622 1.0228 0.8476 1.1382 0.6261 0.8370 0.5115 0.3840 1.5750 1.3572 0.9502 1.1850 1.0130 0.9351 0.6371 0.7446 1.1673 0.8285 0.9642 1.2658 1.0350 0.9864 1.0589 1.4022 1.1151 0.8739 1.0066 0.8420 1.2711 1.0050 0.7726 0.8990 1.2060 0.8122 1.1787 0.8962 1.1724 0.7547 1.6121 1.1779 1.2562 1.2153 0.9897 1.1147 16a-hydroxy DHEA 3-sulfate 0.6358 3.8371 1.8134 0.3543 2.1973 0.3820 1.3006 0.3816 0.9670 0.3214 5.8211 0.7824 0.5690 0.5254 1.7652 0.1810 1.0539 3.8222 1.4203 1.4785 1.9578 2.9812 0.1188 0.8094 8.8914 0.4382 3.5863 4.7695 7.1218 3.4349 0.8643 0.3150 1.0000 5.6791 2.6272 0.6340 2.8792 1.0054 1.2966 1.0201 0.8215 1.1160 1.6285 1.9454 2.7024 2.5318 0.7101 2.3883 0.9461 0.3809 0.3443 1.1852 0.7203 0.8067 0.4690 0.8909 0.1394 0.4485 0.3082 0.0916 1.9761 0.2701 0.8822 1.1403 0.4117 0.6002 1.0766 1.0600 3.2261 0.5303 0.3612 0.3510 1.1047 0.8716 0.4671 1.9163 0.6729 1.3544 0.2244 0.3265 0.2567 0.2178 3.1178 1.8426 1.0209 6.2824 0.1944 0.0865 0.3749 0.4194 0.3889 1.2507 1.7218 0.8170 1.3408 0.4653 0.5307 0.1599 1.0328 0.6987 1.7291 0.1571 0.5899 1.1685 0.8785 2.9534 1.1226 2.4023 0.2924 1.0906 2.1069 1.8974 0.5453 0.8473 1.3512 1.4548 2.5110 0.7224 1.2596 1.7065 0.9123 0.4315 1.5124 2.6795 1.9671 1.5202 0.8117 0.4707 1.0729 0.6507 2.9737 17alpha-hydroxypregnenolone 3-sulfate 0.4419 0.4419 0.7652 0.4419 1.1886 0.4419 0.4419 0.4419 0.4419 0.5827 0.8368 0.8013 0.4419 0.4419 0.5939 0.4419 1.0570 0.7340 0.4419 0.5510 0.4419 1.1678 0.4419 0.4419 2.5153 0.4419 0.4419 0.5699 0.4419 1.7127 0.7560 0.4419 0.6495 1.2391 0.4419 0.5708 0.4419 1.9665 0.4419 0.4419 0.7838 0.4419 0.4419 0.4419 0.4419 0.4419 1.3760 0.4419 0.4419 0.4419 0.4419 0.4419 0.4419 0.7418 0.5744 0.4419 0.4419 0.4419 0.5096 0.4419 1.2521 0.4419 1.5604 1.0122 0.4419 0.7049 0.4419 0.6207 0.4419 1.0348 0.4419 0.4419 0.4419 0.4419 0.4419 0.9878 0.4419 0.7176 0.4419 0.4419 0.4419 0.4419 1.4852 1.4246 0.4419 3.2249 0.4419 0.4419 0.4419 0.4419 0.4419 0.6399 2.7059 1.1323 0.4419 0.4419 0.9407 0.4419 2.1515 1.0936 1.0461 0.6740 0.4419 0.4419 0.4419 1.6161 1.2636 0.4419 0.4419 0.4419 1.5412 0.4419 0.4419 0.4419 0.6505 0.7625 2.4236 1.2623 0.4419 0.4419 0.4419 0.4419 0.4419 1.1380 0.4419 0.6645 0.4419 0.4419 1.4446 0.4419 0.5456 2'-deoxyuridine 0.3472 0.3472 2.1084 0.6551 1.5932 1.0599 0.8210 0.3472 0.3472 0.7718 0.5984 0.9778 1.3192 0.5556 0.3472 0.3472 1.1796 0.5923 1.0781 0.3472 0.6975 0.3472 0.3472 0.3472 0.3472 0.9879 1.0916 0.5024 0.8874 1.0121 0.3472 0.3472 0.3472 0.3472 0.4679 0.3472 0.7063 0.9498 0.7496 0.5457 0.5942 1.7055 0.3472 1.1905 0.3472 0.6007 0.3472 0.5981 0.3472 1.5333 0.6960 1.2062 0.3472 1.2849 0.6959 0.3472 1.5849 0.8652 0.3472 1.4241 0.4535 1.0178 0.3472 1.0263 0.5462 0.9622 1.0807 1.1428 0.3472 0.8832 0.6848 0.9063 1.5723 1.0475 0.5941 0.7742 0.3472 0.8854 0.3605 0.3472 0.3472 0.8892 0.3472 0.3472 1.5765 0.3472 0.3472 1.0000 0.3472 0.3472 0.9762 0.7313 0.7189 1.0103 0.9126 1.9076 1.1283 0.7751 1.3101 1.4411 1.1898 0.6607 1.1657 1.1560 1.4073 1.4401 2.0074 1.5219 0.8713 1.5433 1.1967 1.8572 1.1342 0.3472 0.7248 0.4875 1.5792 1.4261 1.4146 0.7788 0.9540 0.8053 1.5229 1.0865 1.1377 1.2001 0.8300 2.0090 1.2726 1.4025 0.8762 2'-O-methylcytidine 0.7956 0.3246 0.3246 1.2262 1.2481 1.0585 0.8910 1.7159 1.3605 1.4157 1.3087 1.1973 1.1322 0.4940 0.9151 0.8396 1.7688 0.9200 0.8673 0.6113 1.0418 0.8385 1.0368 0.6634 1.3167 1.4225 0.7436 0.9152 0.8786 0.7426 0.7830 0.3246 0.3246 1.0675 0.5442 0.8721 0.9229 1.0265 1.5058 1.0011 0.8643 1.3216 0.6025 0.8592 0.9388 1.5137 0.3246 1.8003 1.0148 0.8613 0.7457 1.2918 0.7394 1.2605 1.0599 0.4890 1.9323 0.8829 1.3492 0.3246 1.1270 1.3464 1.1214 0.3246 1.0236 1.0965 1.0021 1.5482 0.8573 0.6858 0.6438 1.4655 0.6117 1.4007 0.8444 1.8108 1.1113 1.5241 1.0386 0.5314 1.2323 0.7038 0.8628 0.6549 0.3246 0.3246 0.9632 0.7880 1.2259 0.8535 0.7182 0.3246 1.2594 1.1177 0.9238 1.0611 0.6723 1.1314 1.3661 0.9108 0.7409 0.8098 1.0161 0.9437 0.5515 0.3246 1.0576 1.1129 0.3246 0.8439 1.1053 0.3246 1.2130 1.1635 0.3246 0.3246 0.6426 1.8708 0.8767 0.9584 1.7093 0.3246 1.6790 0.8467 0.9593 0.9989 0.3246 0.3246 1.5368 0.6605 0.8256 2,2'-Methylenebis(6-tert-butyl-p-cresol) 0.6427 1.0913 0.6521 0.9283 568.2612 2.6288 1.2409 0.7610 0.3409 3.9848 1.6391 1.6207 1.8792 2.2587 0.8085 1.8031 0.5573 1.1468 0.8371 1.4712 1.1628 1.1565 3.9088 2.7217 0.8903 0.8068 1.6960 0.7827 1.0155 1.8550 1.1805 1.0766 3.0513 1.1830 3.5281 0.7521 0.9737 0.7096 0.9616 4.8849 2.7467 1.7902 0.5687 0.4150 1.2635 0.6821 0.8635 1.2078 0.8382 0.3409 1.5199 0.6484 0.8703 1.7029 1.2146 1.0948 2.5360 1.6738 0.5719 0.7525 0.5464 0.4380 1.1083 1.3063 0.7915 1.2295 0.8375 2.7992 0.9845 0.6113 1.2224 1.3896 1.5641 1.9252 0.7993 0.8005 1.9965 0.9796 2.2392 0.5892 0.8724 1.1842 1.4784 0.5296 1.6854 1.0923 0.7317 0.8381 0.8443 0.9499 2.5642 0.8403 1.5598 0.9267 1.7670 0.3671 0.4071 1.4009 0.6166 0.7530 0.3409 0.3409 0.3727 0.3409 0.3409 0.3409 0.3409 0.3409 0.3409 0.3409 0.3409 0.6820 1.3146 0.4117 0.3409 0.3409 0.3409 0.8987 0.3409 0.9004 0.9370 1.9046 1.1237 0.9049 0.3409 0.7821 0.6511 0.3409 0.3409 0.8103 0.3409 2,3-dihydroxy-2-methylbutyrate 0.3959 0.3959 0.9762 0.3959 0.3959 1.8200 0.4644 0.3959 0.3959 1.6227 0.3959 0.3959 0.3959 0.3959 0.3959 1.3586 1.7109 0.3959 1.3560 0.3959 1.0000 0.3959 0.3959 1.4969 0.3959 0.3959 0.3959 0.3959 0.3959 0.3959 0.3959 0.3959 4.0828 0.3959 0.3959 1.9486 0.3959 0.9211 1.0629 0.3959 1.0611 0.8268 0.3959 0.3959 2.1773 0.3959 0.3959 2.2321 1.9560 0.3959 0.5745 0.5169 0.3959 1.6968 0.3959 0.3959 0.3959 0.5783 0.3959 1.2920 0.9592 1.2777 0.3959 1.9078 0.3959 0.3959 1.3689 0.3959 0.3959 0.5861 0.5436 0.3959 0.3959 0.3959 0.5952 0.3959 1.3782 0.3959 0.3959 0.5283 1.2148 0.3959 1.2944 0.6397 1.4489 0.3959 0.5552 0.6022 0.3959 0.3959 0.6023 0.3959 0.3959 0.7309 0.3959 0.6124 0.3959 0.3959 0.5807 0.3959 0.3959 5.9017 0.3959 0.4367 0.3959 1.0179 0.3959 0.3959 0.8215 0.7162 0.6841 0.3959 0.5652 1.0780 0.3959 1.7874 4.6957 0.8850 0.3959 0.3959 0.3959 0.3959 0.3959 0.3959 2.0720 0.9034 0.7822 0.4363 0.3959 0.3959 1.2623 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0.9108 1.1183 1.3444 1.3484 1.0243 1.4101 1.1042 1.1052 1.0292 1.2547 0.9290 1.5214 0.9711 1.1970 1.1380 1.3889 1.8358 0.8409 2.0136 0.8317 1.5003 0.9601 0.8417 0.8979 0.8531 1.0000 1.5373 0.8280 0.8837 0.9678 1.0968 1.3501 1.3160 0.9335 1.8916 1.2546 0.9249 1.4154 1.5280 0.8035 1.2327 1.1982 0.9815 1.1298 1.8464 0.8828 1.1664 1.2965 2.2810 1.1261 1.3242 0.9561 0.6923 0.6702 0.8657 0.8054 0.8124 0.7352 0.6701 0.7094 0.9234 1.1170 0.9094 0.8955 0.6603 0.6745 0.9623 0.7469 0.6050 0.5812 0.6457 0.7683 0.8035 0.6195 0.7003 0.9623 0.6650 0.8295 0.8031 0.7778 0.7817 0.8407 0.9724 0.9857 0.7403 0.7048 0.8068 0.9794 1.2389 0.8266 0.9841 0.6757 0.8479 0.6431 1.1487 1.3424 0.9829 1.0408 0.9244 1.4582 1.0149 1.2845 1.0366 1.0922 1.1358 1.2223 1.0891 1.3608 1.3006 1.4929 1.0683 1.0593 1.2178 1.2547 0.9305 1.6713 2.0579 1.2476 0.9620 1.0802 0.8121 1.0569 1.4087 1.4043 0.8746 1.2949 1.2030 1.3791 1.3076 0.9825 1.1839 2,3-dihydroxyisovalerate 1.2757 0.3095 0.4961 1.5082 3.6727 12.2434 0.8154 1.1747 0.3409 33.5308 0.5460 0.7034 0.4952 0.6238 1.3437 0.7576 2.9401 0.2499 3.1668 10.3827 4.0275 0.2847 0.5569 1.9819 0.2386 0.3015 5.4215 0.2642 0.3729 0.6105 0.8226 2.1292 3.7395 0.5154 0.7606 0.7132 0.5103 1.3461 1.2443 0.3127 1.3164 0.7312 0.2232 0.3857 1.4385 0.3182 0.9065 2.8780 33.2423 0.4742 1.7440 2.9244 2.0836 0.8927 0.7646 1.0923 0.8796 1.1245 0.5748 0.8994 17.1901 38.1485 1.2836 1.8232 0.6600 0.6391 0.9838 1.1336 2.9218 1.0602 12.4660 0.3932 0.3164 0.6205 1.7750 1.4334 0.5203 0.3965 0.6028 2.6355 36.7059 0.9127 1.1127 0.8914 5.0525 0.7901 0.5428 0.5991 5.0692 3.1923 1.1047 6.9693 1.3089 0.7438 1.7604 0.9660 1.0236 0.7788 0.6974 1.5887 0.4422 3.6625 1.6225 0.9511 0.8061 3.8702 0.8121 6.4279 3.2660 1.6825 0.5159 0.9156 0.5437 1.0836 0.8395 7.0245 5.8761 0.5509 1.1993 1.0000 0.7069 0.6893 1.6458 1.9756 0.9373 1.4527 1.1862 1.1963 3.5483 0.6309 1.9088 2,3-diphosphoglycerate 0.2254 0.2254 0.2254 0.2254 0.2254 0.4788 0.2254 0.2254 0.2254 0.2321 0.2254 0.2254 0.2254 3.5175 0.2254 19.2457 0.2254 0.2254 0.2613 4.4527 0.2254 0.2254 5.3458 0.3457 0.2254 8.2489 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 1.0695 0.2254 0.3260 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.3537 0.2254 0.4083 3.8492 7.2719 1.4299 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 1.1460 8.3973 0.3544 0.2254 0.2254 0.2254 0.2254 2.7850 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.7317 0.2254 0.2254 0.2254 0.2254 0.2254 0.6418 0.2254 0.2893 0.2254 1.0813 0.2254 0.2254 43.0813 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 1.2238 0.2665 13.2078 0.2254 0.2254 0.3699 0.2254 0.2254 0.4229 0.2254 0.2778 0.2254 2.4794 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.2254 0.9305 2,6-dihydroxybenzoic acid 0.8791 4.1605 2.4204 0.5710 0.5072 7.7582 0.3875 1.0328 1.0279 1.1168 0.4884 1.0072 0.9387 0.2365 1.8773 1.5660 1.1827 0.5279 1.2164 0.5826 0.6733 0.5327 0.5133 0.4957 2.0491 0.0877 1.3745 0.1904 0.3379 0.3847 0.3755 1.7902 2.0359 0.6435 2.8703 0.2983 0.7158 0.2586 1.3963 0.1355 1.1855 0.7956 0.5476 1.0440 5.5444 0.4073 1.0000 0.6790 1.2879 0.4659 1.0434 0.2820 2.8387 0.4915 1.3805 1.1237 0.7570 0.6442 0.4988 1.1892 0.8062 0.5862 1.1423 1.0031 0.4642 1.1453 3.0064 3.1878 1.4533 1.0804 0.4082 1.9940 0.4758 1.8038 0.3437 1.1060 1.1409 1.4809 0.3109 0.8162 0.7010 0.2887 2.5946 1.0397 2.8944 1.5859 0.3586 1.9178 0.6986 1.5807 0.8498 1.8976 2.4001 0.8554 0.6633 7.0014 0.8266 0.3553 1.6069 0.7619 3.4609 0.8137 1.1774 1.3266 1.8841 1.1550 0.3767 1.9255 1.1116 1.8240 1.9993 0.5709 0.6958 0.5255 0.3063 4.4977 1.7546 0.9478 0.6192 1.6299 0.6387 0.4882 0.8371 1.4712 1.5813 1.0114 0.7073 3.0984 0.5877 0.5336 3.8000 2-acetamidophenol sulfate 0.6625 11.6633 0.7754 0.7340 0.9072 2.1790 0.2990 0.3874 0.2990 0.2990 0.2990 1.3833 0.4885 0.2990 0.2990 0.8646 0.2990 0.2990 0.2990 0.5191 0.2990 0.2990 0.2990 0.5121 0.4528 0.2990 0.7413 0.2990 0.2990 0.2990 0.2990 8.5637 0.3033 0.2990 0.7680 0.2990 0.3092 0.7652 0.2990 0.2990 0.8819 0.5260 0.4826 0.6098 6.3141 0.2990 7.1094 0.2990 1.8537 0.2990 0.2990 0.2990 1.3707 0.2990 3.1086 1.8892 7.2009 0.2990 0.6910 0.2990 2.2363 1.1032 0.6536 1.0623 0.2990 0.8554 3.6259 2.9276 4.1534 0.4919 1.0385 3.7274 0.2990 1.4879 0.2990 1.9580 0.2990 1.5386 0.2990 2.0700 0.7045 0.4039 0.9483 0.4170 11.1768 0.2990 0.5532 3.6482 0.5527 4.9599 0.4957 3.7998 1.5693 1.1854 0.2990 2.5145 0.7222 0.2990 1.2987 0.7878 9.7428 0.2990 2.5202 1.1784 1.1917 0.3571 1.0082 4.0456 0.3965 1.4229 0.6059 0.5913 1.0969 0.2990 0.2990 4.7781 0.4751 0.4977 0.5037 0.9686 0.8207 0.2990 2.8413 0.2990 1.0537 0.9918 0.2990 1.3763 0.4770 0.2990 1.4629 2-aminoadipate 0.2954 1.5529 1.0136 1.5969 1.3940 0.8590 1.9474 1.1763 1.0539 0.9297 1.5646 0.9592 1.6413 0.5658 1.6928 0.8914 2.9422 1.9167 1.7599 0.5649 0.9966 1.4456 1.2427 0.8482 1.0815 0.5595 1.0513 1.4768 1.6826 1.4984 2.0977 0.9503 1.0271 1.6719 0.7824 1.6073 0.9428 1.3661 1.6836 0.9544 1.5838 1.0695 1.4781 2.1620 1.7631 1.8854 1.2556 1.8808 1.2009 1.1997 0.5578 2.1167 0.3367 0.5264 0.8753 0.8174 0.8155 0.5732 1.0180 0.3750 0.6100 0.9151 0.9814 0.4504 0.7173 0.8397 0.5175 0.7099 0.7438 0.5960 0.5080 0.2984 0.5959 0.6309 0.5778 1.0174 0.2697 0.2697 0.6971 0.3877 0.6199 0.6793 0.4854 0.5739 0.2697 0.9466 1.0000 0.6331 1.1307 0.7821 0.5799 0.4913 0.9514 0.5676 0.8391 0.7911 1.1948 1.7969 1.5052 1.1166 1.0587 2.5580 1.0749 0.8154 1.5495 1.0190 1.2366 0.8734 1.7859 0.5785 0.5877 0.7440 0.9959 1.1028 1.4143 0.6775 1.2744 1.8190 1.2538 1.0617 0.6654 0.8634 1.1054 2.1174 1.6737 1.5877 1.2413 0.8743 0.5986 1.1510 1.2435 2-aminobutyrate 0.5033 1.3849 1.7010 0.9985 0.9463 0.4935 1.5322 1.1390 0.7300 0.9076 1.7226 0.5924 1.7352 0.7045 1.0774 1.9988 1.0996 2.1901 1.2598 0.5907 0.6935 2.1757 1.0946 0.5049 1.7572 1.0966 1.6503 1.7651 1.9888 1.4589 1.2024 0.5977 0.8780 2.0554 1.9150 1.5888 1.3162 1.1350 0.9184 2.1090 0.7818 1.3788 1.6817 1.8746 1.0000 2.4533 1.3881 1.8774 0.9860 1.6285 0.6955 1.0878 0.5260 0.6223 0.8436 0.8149 0.6381 0.6122 1.2803 0.3462 0.9277 0.7292 1.0085 0.9421 0.7236 0.7368 0.7289 0.5239 0.6235 0.6126 0.7897 0.6171 1.1962 1.1065 0.9157 0.9455 1.1566 0.7133 0.7684 0.4476 1.0053 1.7307 1.1759 0.8348 0.7710 0.8177 1.3586 0.9507 0.7951 0.6671 0.9049 0.8991 0.8985 1.0943 0.8364 1.0002 1.2582 1.0773 1.3554 0.8712 0.7056 0.8555 0.6868 0.8435 0.9307 0.9673 1.9021 0.8464 1.6660 0.9885 1.0085 1.2909 1.0470 1.2628 1.7797 0.5878 0.7880 1.3028 1.3988 0.9980 0.7615 1.1677 1.6219 1.1380 1.1036 1.4087 1.0730 0.7313 1.1660 1.7415 0.8152 2-aminoheptanoate 2.8411 1.3990 0.4725 1.0127 1.6359 0.8109 0.7028 1.4822 1.2140 1.9008 0.2698 2.5156 0.2634 1.8602 0.6868 0.5496 2.3544 0.2634 0.9045 1.2122 1.7062 0.2936 0.5775 1.2495 0.2634 1.3225 0.8920 0.2634 0.5370 0.2777 1.3238 1.8206 3.3285 0.2838 0.8189 0.2892 0.6267 1.4486 0.8285 0.4590 1.5730 0.4950 0.8921 0.2634 1.3677 0.2634 1.1726 1.2958 1.5727 0.2634 2.4387 0.8682 0.2634 0.6046 0.2634 0.5330 0.2889 0.7276 0.8536 1.8154 1.4552 1.1440 1.0769 0.7768 0.9403 1.0639 0.9216 0.6809 0.4769 1.2249 0.5624 0.9156 0.7656 0.7403 0.5750 0.7459 1.4146 0.5372 0.6635 1.1695 0.5284 0.3787 1.0544 0.5824 0.9474 1.6089 1.4509 1.3182 0.4908 2.0756 0.6963 0.8720 0.6770 1.7932 0.9031 1.1253 0.5254 0.9369 1.5748 1.9899 1.8731 2.3130 1.4366 1.0321 0.8533 1.6797 1.0774 1.7068 1.0060 1.3563 1.1605 1.3687 0.9940 0.4807 0.6549 1.5575 2.2753 0.7114 1.1138 0.9635 1.2070 1.0081 1.3163 0.9207 0.7195 1.5178 0.9036 1.7625 1.1683 0.2634 0.9606 2-aminooctanoate 0.8233 0.3923 0.2558 1.4511 3.6877 0.2558 0.2923 2.3241 0.3790 1.4237 0.2863 2.1470 0.2558 1.0327 0.5155 0.2558 2.9478 0.2558 0.5754 0.7816 1.2530 0.2558 0.5936 0.3067 0.2558 0.6580 1.0921 0.2558 0.2558 0.5020 0.6050 2.5625 0.2558 0.2558 0.9039 0.2558 0.4529 1.2298 0.2558 0.3625 0.2558 0.4898 0.4298 1.4718 1.4656 0.2558 2.8378 7.0119 0.2558 0.2558 1.4676 0.6224 0.2558 2.1695 1.5018 1.4713 0.5947 1.9874 0.5940 0.5238 0.2558 0.6117 0.7078 1.5510 1.1587 0.7647 1.2063 0.8762 2.9550 1.8514 0.4878 1.6484 1.5498 1.3101 0.7508 1.3074 2.1894 1.4170 0.6601 0.4517 0.2558 0.2558 2.2138 1.3707 0.5777 4.0600 0.4633 1.3466 0.5069 0.7663 1.2379 1.3113 1.7724 2.9345 2.8511 1.0000 0.2558 0.2558 0.4683 3.4509 1.4050 0.2558 1.0557 0.8142 0.2558 3.6266 0.4047 1.1803 0.5788 0.6274 0.6801 0.2939 0.8312 0.5761 0.2558 2.2948 0.2558 0.6345 0.2558 0.2558 1.1993 0.2558 0.4993 0.8755 0.2558 1.7563 0.2558 0.6601 0.2558 1.5494 0.9953 2-aminophenol sulfate 1.9397 11.3799 3.5201 1.1425 1.0144 2.0397 0.2914 0.4875 0.4630 0.2534 0.0666 2.2392 0.3942 0.1227 0.5442 1.0410 0.5985 0.3573 0.5868 0.7696 0.4270 0.4328 0.0766 0.7841 1.9724 0.2856 1.1995 0.1393 0.0945 0.0634 0.4309 6.5569 0.9852 0.0672 2.2691 0.1097 0.6741 1.3487 0.4930 0.0582 1.5138 1.3135 0.3964 2.1521 6.7003 0.0739 3.9367 0.3027 2.1598 0.1496 0.6581 0.2256 2.2862 0.1945 4.8748 1.5572 5.1619 0.4530 0.2916 0.1830 5.8526 0.9605 0.8963 1.2348 0.2538 1.2083 1.2133 2.3992 3.4954 0.8332 0.8096 3.9021 0.3846 2.1158 0.3692 1.3874 0.3618 1.6642 0.0639 2.5593 0.3766 0.7074 0.8258 0.7567 10.2190 0.0835 0.2176 2.4801 0.7603 2.5769 0.6194 5.0534 1.6451 1.6195 0.3473 4.3045 1.0000 0.3428 3.1665 1.2564 7.1415 0.4544 2.0481 1.6102 1.8857 0.7992 1.1779 4.9747 0.5013 2.0585 1.5517 1.0784 1.0410 0.6313 0.4967 3.2780 2.1354 0.7693 1.0304 1.0030 1.1487 1.0887 3.0034 0.6972 1.3136 1.6523 0.4257 3.2050 1.1603 0.2373 1.8071 2-hydroxy-3-methylvalerate 0.7013 0.5757 1.1181 1.5234 1.2349 0.5198 0.7614 4.6927 0.8684 1.4084 0.6313 0.8556 0.9993 0.4945 1.4224 1.3322 2.1959 2.3204 1.2857 1.0315 1.2066 2.2068 1.1799 1.9051 1.3285 1.0000 0.8727 0.8870 1.3899 1.5511 0.7828 0.7364 1.1263 2.1290 1.0663 0.9293 0.5997 1.7640 1.5371 0.9254 1.9187 1.0313 0.6307 2.5986 2.5882 1.3133 0.7611 1.6073 2.3922 1.0385 0.6007 1.0491 0.4918 0.3940 0.7018 0.5047 0.9084 0.5539 0.4036 0.6686 1.1236 1.1891 0.4924 1.2435 0.8147 0.5810 1.5550 0.5076 1.1394 0.5554 0.5133 0.3078 0.5127 1.3564 0.5353 2.0425 1.3066 1.1326 0.7296 0.6398 0.9066 1.4477 1.9448 0.3071 0.8786 0.7399 0.6055 1.1952 1.2504 0.8286 0.4832 0.9040 1.7363 1.5847 0.9292 0.5367 1.6877 1.8152 1.3734 0.7660 1.3488 1.6145 0.7399 0.8206 0.9196 0.9876 0.7276 0.8594 2.1021 1.2677 0.5467 1.7480 1.3082 1.8427 0.9994 1.3591 1.3707 1.8067 0.8534 2.6582 0.7540 1.2410 1.0434 0.8459 0.6259 1.4243 1.1132 0.7133 0.5467 0.6489 0.7974 2-hydroxy-4-(methylthio)butanoic acid 0.4866 1.4788 0.6712 1.3253 1.7446 0.7614 0.9617 2.0954 0.6529 1.8895 0.5735 0.7577 0.4186 1.0887 0.7545 1.2751 1.5456 0.9414 1.6471 1.0242 1.1326 0.7019 0.5904 2.3584 0.6738 0.8307 1.2134 0.3986 0.5740 1.2087 0.5585 0.7153 1.0252 1.6274 1.6564 0.6071 0.6692 1.1756 1.7288 0.9265 4.2522 0.9423 0.4142 1.6792 4.0367 0.7546 0.8856 0.5639 1.5970 0.6312 2.1862 1.0140 0.9573 0.5903 1.0216 0.7035 1.9199 0.7482 0.2723 0.7193 0.9387 0.9028 0.9435 1.3939 0.7861 0.4636 1.2323 0.6492 1.0982 1.2144 0.5411 0.7984 0.4119 1.1445 0.3886 1.3472 1.3443 0.7843 1.9334 1.2024 1.3596 1.0627 0.9632 0.6433 0.8868 1.0819 0.4310 1.3930 1.4097 0.5422 0.5944 0.9479 1.9782 0.7355 1.7430 0.5755 1.0000 1.2846 1.7217 0.8408 1.4012 1.1550 1.4678 0.6635 0.6610 1.3128 0.9943 1.1011 1.0991 1.7637 0.5037 0.9083 1.2187 1.3003 1.3560 1.9104 1.7162 1.9734 0.2461 1.1724 1.2101 1.1171 1.1777 1.2690 0.6994 1.2619 1.1184 0.9283 0.8561 0.5664 0.9302 2-hydroxyacetaminophen sulfate* 1.5344 0.3979 0.1033 0.1033 0.1033 0.1033 0.1033 0.3408 0.1033 0.3084 0.1033 5.1189 0.1033 0.1033 19.9840 52.5813 0.1033 0.1033 0.1033 0.1033 1.1845 0.1033 0.1033 0.1033 0.1033 0.2987 0.1033 0.1033 0.1033 0.7427 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.5489 16.5635 3.5979 0.1033 0.1033 0.1033 9.5103 0.1033 0.3332 0.1033 0.1033 0.1033 0.8098 0.1033 0.1033 0.1033 1.0000 2.4740 0.3510 0.1033 0.1033 0.2610 0.1033 0.1033 0.1033 0.1033 0.1033 0.2234 0.1033 3.8767 0.1648 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 34.0600 0.1033 20.5317 0.1033 0.1033 0.1033 0.1033 52.7247 0.1033 0.6911 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.6020 0.9436 0.1445 0.1033 0.1033 99.9217 0.1033 0.6058 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 1.8110 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 1.6359 0.1033 4.7308 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 0.1033 1.5885 0.1033 2-hydroxyarachidate* 0.9404 1.3005 0.9421 1.0507 1.0801 1.3869 0.9873 1.3018 1.1173 1.4873 0.9342 1.2844 1.0889 1.7329 0.9788 0.8901 0.9944 0.9183 0.8196 1.1679 0.9602 1.0520 1.1273 0.7718 1.3364 0.6967 0.9956 1.2673 0.7699 1.0837 1.0702 0.8845 1.4114 1.0848 1.5304 1.2036 0.8828 0.8699 1.1034 0.6889 1.0682 0.9738 0.9143 1.0648 1.8270 0.8332 1.2603 2.0250 0.8403 1.1305 0.9011 0.8326 1.1717 0.9884 0.7438 1.1364 1.2852 0.9435 0.7501 0.9186 1.0034 0.6183 0.6915 1.1707 0.9627 1.0757 1.0242 0.8438 1.1154 1.4944 0.5463 0.5463 0.9095 1.3024 0.8210 1.4225 1.0034 0.9966 0.8827 0.7199 0.8190 1.0099 0.8921 1.3213 0.9856 1.2574 0.9409 0.9731 0.8472 0.9949 0.7636 1.1194 1.0341 0.8908 0.8457 1.1119 1.4195 1.2193 1.1247 0.9292 1.4861 1.0555 0.9237 0.6962 0.8601 1.0304 0.7846 1.3146 0.7409 1.4414 1.0228 1.0838 0.9577 1.1736 0.7936 1.3148 0.8562 0.7993 0.9925 1.4182 1.0237 1.3653 0.8883 1.0995 0.7812 1.2237 1.2002 0.9323 0.9483 0.9143 1.2757 2-hydroxybutyrate/2-hydroxyisobutyrate 0.5961 1.1391 3.3744 0.8116 1.2247 0.5548 1.6707 1.2092 0.6447 1.4163 1.9294 0.4846 1.8192 1.0000 1.1379 1.9675 0.5775 1.8917 1.2779 0.6254 0.7179 2.1570 1.2491 0.9176 2.3228 0.8766 1.0663 1.9327 1.4464 1.5659 1.6751 0.4820 1.1676 2.5602 2.3935 1.5214 0.6034 0.8190 1.1947 1.5881 0.8767 1.7121 1.6660 2.5588 1.8934 2.4414 0.7944 2.5330 0.7141 1.6348 0.8956 0.8564 0.3543 0.5351 0.5089 0.9856 0.3623 0.4717 1.2584 0.3477 0.6687 0.6045 0.8704 0.8868 0.5222 0.4680 0.6466 0.5647 0.4764 0.6051 0.7200 0.3656 0.9920 0.5406 0.7800 0.5376 1.7990 0.4791 0.7295 0.3596 0.9323 1.2711 1.2671 0.6976 0.4600 0.6506 1.2158 0.8907 0.6099 0.4675 0.6508 0.5835 1.0118 0.7582 0.3131 1.2406 1.7683 1.4644 1.3119 0.8562 0.6943 1.3896 0.4899 0.8886 1.0402 1.1853 1.8852 1.0066 1.9552 1.1010 1.2021 1.4440 0.9318 2.0041 1.8692 0.5106 1.3129 1.9952 1.1105 1.1604 0.6494 1.9134 1.1895 1.0295 0.9382 1.6914 1.5090 1.0018 0.6991 1.3721 0.8969 2-hydroxydecanoate 0.6438 0.9510 0.4813 1.0075 1.8374 0.6133 1.0719 1.6357 0.5004 3.1557 0.7492 1.5166 0.4786 1.1161 1.0560 0.6630 1.4272 0.6228 1.2000 1.3249 1.1558 0.6554 0.9100 1.1033 0.3692 0.8323 1.2062 0.4088 0.7954 0.6689 0.6753 1.0982 1.2815 0.4519 0.6301 0.4337 1.1688 1.0608 0.4400 0.4451 0.7900 0.6300 0.4986 0.7384 1.2210 0.4437 2.2309 1.0455 1.4633 0.4483 1.4808 1.0969 0.9917 0.9731 0.4675 1.5797 1.3369 0.8632 0.8871 2.6251 1.6329 1.3033 1.8403 1.5916 1.1076 0.9571 2.5170 0.9094 1.2439 1.2160 1.6706 1.9869 0.8525 1.4272 1.0682 1.2409 0.8104 0.8966 1.7436 0.6934 1.2092 1.0096 2.3575 0.6763 1.1969 2.8139 1.0513 1.7784 1.2774 1.1838 0.8832 1.2953 2.2292 1.9571 1.3213 1.2086 0.8691 0.6176 0.9529 1.2310 1.1449 0.9819 0.8090 1.2169 0.4618 2.8903 1.1152 0.9619 0.6874 1.8350 0.8980 0.6765 1.0000 0.6811 0.7313 1.6110 2.0299 0.8933 0.4839 0.7216 1.4028 0.4181 0.8263 1.1314 0.6888 0.9732 0.8392 0.9082 0.9654 0.9329 0.7423 2-hydroxyglutarate 0.9159 1.0790 1.0049 0.8619 1.9950 1.0559 1.0964 0.8870 0.8701 1.1361 1.2062 1.0049 0.9825 0.8066 1.1707 1.2380 1.2325 1.1424 0.9626 1.5861 1.3861 1.0047 0.9319 1.4190 0.8056 0.9428 1.1965 0.8528 1.0092 1.2378 1.1138 1.2535 1.4743 1.4315 1.4685 1.1589 1.2649 1.4065 1.5330 0.8933 1.3412 1.1294 1.0955 1.2075 1.4896 1.4678 0.9419 0.6969 1.2765 1.6483 1.8485 1.2038 0.8730 1.2245 0.8112 0.8943 0.7019 0.8341 0.8080 1.0110 0.8773 1.1419 1.1264 0.5775 0.7610 0.7913 0.9342 0.9612 0.7831 0.7462 0.7251 0.5410 1.1389 0.9212 0.5815 0.7229 0.8254 0.9798 1.6104 0.8599 1.7625 0.9307 1.1747 0.9952 0.7542 1.0730 1.0632 0.8474 0.7958 0.5901 0.8285 0.7645 1.0517 0.6269 0.8610 1.0014 0.7994 0.9090 1.2699 0.8707 1.1709 1.1689 0.8941 0.6396 0.5835 1.1872 0.7613 1.0801 1.0605 0.9601 1.5619 0.8680 0.9686 1.1059 0.9328 1.0514 1.4723 1.0689 0.6298 1.1700 1.4053 1.0000 0.8696 0.7303 0.6994 1.4368 0.8155 0.8408 0.8368 0.7634 1.0011 2-hydroxyhippurate (salicylurate) 0.4306 0.4004 0.1700 25.6684 2.6529 2.9256 88.9892 0.6930 28.1249 0.3597 0.5146 0.6003 1.4884 0.0999 0.2970 10.8087 0.9103 0.0999 0.4299 0.3659 2.0079 0.0999 0.1223 6.8275 2.5305 11.2313 6.9851 0.1423 0.0999 0.1899 1.4948 2.4948 0.0999 0.2112 0.1266 8.8155 1.4767 0.6988 10.8310 0.2125 23.6224 0.1062 0.2205 0.1617 24.4687 0.0999 2.6487 0.2488 1.5973 0.1955 0.1669 28.7989 2.2311 0.7603 2.1670 0.5033 2.4334 2.5225 0.1821 0.1322 1.4466 1.0051 0.3519 0.1629 0.2881 0.2902 1.7221 1.0635 1.0524 1.0892 3.4325 0.3191 0.9375 0.9219 0.9536 0.1694 0.3231 1.6454 0.7942 19.1223 0.7687 1.5813 0.4581 1.4322 0.9949 0.3480 161.6050 0.3253 1.7392 0.4473 1.0512 0.2789 0.5637 0.4470 3.1031 1.8242 8.3146 2.4169 0.8651 2.0639 0.6045 36.9957 5.7136 0.4921 0.9017 7.9048 32.3556 0.2594 56.5790 3.3234 0.2007 1.1258 0.4474 1.4971 1.1316 18.9835 174.9107 0.1136 0.6126 0.2835 0.3294 0.1912 3.5703 69.1246 1.8145 1.2681 1.9692 0.4333 4.3270 2.7000 0.6830 2-hydroxyibuprofen 2.1927 0.1452 0.1452 2.6554 0.1452 0.1452 25.2834 41.6224 22.2228 0.1452 0.3917 0.1452 0.1452 0.1452 0.1942 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.2105 0.2953 0.1452 0.1452 24.8352 0.1452 0.1452 0.1452 0.1452 3.2964 0.1479 0.1452 0.1452 0.1452 0.1452 55.7561 0.2891 0.1452 2.3517 3.0170 0.1452 0.1452 0.3513 1.1155 2.4172 0.1452 0.1452 0.3954 0.1452 0.1452 0.1452 4.3059 0.1452 0.8845 0.1452 41.4797 0.2573 0.1452 0.1452 11.7314 0.1452 0.1452 0.1452 0.2525 0.6239 0.1452 0.1452 0.1452 22.4824 0.1452 0.2959 0.1835 0.1452 3.5627 14.2991 0.1452 0.1452 0.1507 0.1452 0.1452 0.1452 0.1452 0.1452 0.1569 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.4276 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 37.4535 0.1452 0.1452 0.1452 0.2518 0.1452 8.3060 41.1651 0.3497 0.1452 0.1452 0.3009 0.1452 0.1452 0.1452 0.1452 2-hydroxylaurate 0.6981 0.7180 1.2740 0.2433 0.2433 0.9143 0.9037 1.1987 0.5969 1.1746 0.7162 0.6353 0.7931 0.2433 0.7706 0.2433 1.0989 1.1617 0.6815 0.8585 0.2433 0.2433 0.2433 1.2019 1.4934 0.9680 1.1440 0.7192 0.2433 0.2433 0.7303 0.7274 1.0586 0.4348 0.2433 1.2193 1.1046 1.9458 0.9351 1.2198 2.0097 1.5581 1.3642 2.1625 1.2023 0.2433 1.3198 0.5923 0.7308 0.7346 2.1517 1.1557 0.6560 0.9055 0.3333 1.0706 0.2433 0.5092 0.9391 1.4676 0.4470 0.9209 1.0963 1.6049 1.1118 0.2433 1.2422 1.5619 0.9427 1.6650 1.0693 0.7946 0.4150 1.1886 0.9906 1.4269 0.9587 1.2258 1.0017 0.9068 1.2323 1.6032 1.4363 0.7832 0.9658 1.5772 1.0194 1.3928 1.1583 1.1742 1.1714 1.6877 1.8229 0.2433 0.8012 0.2433 1.4391 0.5727 0.9783 0.7914 0.8116 0.7725 0.6334 0.7657 0.7873 1.1108 0.5814 0.2433 0.8465 0.2433 1.6419 1.0696 1.0000 0.8395 0.8212 0.2433 0.8157 1.4847 1.0659 0.2433 1.1975 1.3076 0.8357 0.6840 1.7137 1.3159 1.1651 0.6042 0.6749 0.5572 0.8777 2-hydroxymyristate 0.5833 0.9781 0.9894 0.7921 1.0753 2.0356 0.6554 0.9343 1.0691 1.0861 1.4667 0.7944 0.6934 1.5437 1.0983 2.0414 0.5881 0.6254 0.8453 1.3000 0.3568 0.9233 1.0585 1.1571 0.9755 0.6465 0.4612 0.8107 0.6147 0.8845 0.6096 0.7517 1.0490 0.8256 0.5801 0.7575 1.5465 0.5307 0.9222 0.4053 0.6755 1.4582 0.7577 1.1964 0.8381 1.5225 0.6237 1.2291 0.3568 0.9220 0.4838 0.9889 1.1159 0.5206 0.8854 1.3771 1.0174 0.6232 1.2102 1.2519 1.1654 1.2878 0.9383 0.8724 1.4403 3.1474 1.2103 1.3801 0.7258 3.2307 0.9852 1.4101 0.7847 4.3828 1.4893 0.9115 1.4861 1.3649 1.4652 1.2743 1.3737 1.3998 1.3406 1.5684 0.5424 0.9186 0.8618 1.0174 0.6677 0.4452 0.9617 0.8114 0.7337 0.7207 0.8270 1.6707 1.4567 0.8634 1.2650 1.2676 0.9096 1.1044 0.6617 1.1135 1.2536 1.1664 0.8395 1.0777 0.9210 1.1394 0.5988 1.1750 1.2872 1.0977 1.0106 0.8705 0.5981 1.1340 0.7372 1.1818 0.8170 1.0643 0.9053 1.3391 1.0166 1.5936 0.7372 1.1323 1.1913 1.0560 1.4801 2-hydroxynervonate* 0.7543 2.5472 1.0469 0.6597 1.0393 1.4657 1.1698 0.7643 1.0295 0.8371 1.3005 1.0152 1.0996 1.2935 1.0840 0.8312 0.9025 1.1920 0.8938 0.8234 1.1220 0.9901 1.1615 0.6920 1.2469 0.6865 0.9083 0.8944 0.9950 1.5094 1.3432 0.6920 1.2546 1.2230 1.7133 1.1946 0.8101 0.8301 0.8278 1.0557 0.8010 1.2818 1.0689 1.2265 1.6184 1.6159 1.1481 1.6242 0.7267 1.6016 1.0510 1.0000 0.6590 1.3848 0.8187 1.4824 0.8337 0.7849 0.7415 1.4251 0.9202 0.7692 0.5338 0.8111 1.0669 0.9130 0.9605 0.7855 0.6603 1.2553 0.9252 0.9964 0.8716 0.9180 1.0867 0.9905 1.0886 0.9612 1.2914 0.5749 1.1852 0.9123 1.2698 1.3555 0.9309 0.9603 1.4674 1.1839 1.0705 0.8335 1.1047 0.8963 1.0895 1.1637 0.6962 1.0108 1.8151 0.9338 0.9729 1.2323 0.9695 1.2133 0.5178 0.8990 0.7637 0.9676 1.8762 0.8163 0.9932 0.8517 0.6265 1.0607 1.0139 0.8096 0.8356 1.4667 0.7495 0.7480 0.8913 1.7462 0.8346 1.3187 0.7894 1.0359 0.6773 1.3612 1.3459 1.0921 1.2022 1.1190 1.0850 2-hydroxyoctanoate 0.6019 0.7915 0.5406 1.1103 1.5391 1.0101 0.6015 2.4436 0.5713 1.1514 0.7382 3.6348 0.2914 1.1838 1.0515 0.7054 3.1373 0.3677 1.0333 1.1476 1.6935 0.7655 0.9906 0.8109 0.4596 0.5493 1.1230 0.4997 0.6553 0.7464 1.3912 1.6767 1.1931 0.6176 1.4341 0.3537 0.8221 1.3408 0.5628 0.5551 0.8233 3.2671 0.6254 1.1056 1.4071 0.3519 1.1543 4.1595 2.0244 0.9724 1.5843 0.7809 0.7926 1.0177 0.7638 2.5712 0.7707 0.9514 0.7520 1.0366 0.8509 1.0000 1.4275 1.3876 0.9871 0.6170 1.5234 2.6196 1.0965 1.7187 0.9192 1.2089 1.0582 1.4808 0.5896 1.3492 1.2377 1.2182 1.5761 0.6833 0.5142 2.1976 1.3979 1.3031 0.5548 1.8035 0.5727 1.0731 1.1154 1.3756 1.1425 1.2568 1.4766 7.0794 2.3824 0.7761 0.5844 0.5208 0.7489 1.5239 1.1543 0.6810 0.7856 1.0959 0.4359 2.4475 0.5218 1.4580 0.7925 0.8534 0.7336 0.5698 1.0303 0.9789 0.6131 4.2075 0.8939 0.6447 0.3763 0.6939 1.5634 0.7458 1.2037 0.9693 0.7547 1.0501 0.8283 0.6709 1.1405 0.9401 1.3608 2-hydroxypalmitate 0.7451 1.4602 1.3595 0.8913 1.2767 0.8417 0.9389 0.7487 0.8474 1.0429 1.4954 0.9747 0.9565 1.1681 0.9324 1.3612 0.5744 0.9554 0.8564 0.9702 0.9568 1.3022 0.9863 0.7094 1.6512 1.0353 1.0603 0.8468 1.0655 1.2806 0.7652 0.9262 0.9258 0.8653 0.9201 0.9792 1.3552 0.8270 0.8924 0.6423 0.6961 1.3008 1.1760 1.1047 1.4210 0.9866 1.0977 1.1384 0.6022 1.0885 0.9028 0.8872 0.6136 0.7121 1.0207 1.5821 1.2094 0.9994 0.8751 1.1572 0.9638 1.1142 0.6940 0.8105 1.3255 1.4434 1.5239 0.8281 0.9902 1.7278 0.9304 0.9000 0.9738 1.2659 1.1242 1.0000 1.2059 1.2982 1.5629 0.9901 1.1123 1.2688 1.5662 1.6571 0.8770 0.9564 1.4129 1.4227 1.0320 1.2224 1.2716 0.7243 1.3297 0.9174 0.7776 1.5917 1.3825 0.9730 1.0004 0.9763 0.8704 1.1877 0.7278 0.9082 1.0765 0.9585 1.3485 0.8889 0.8445 0.9951 1.1434 1.1067 1.3114 0.8299 0.9853 1.1234 1.0389 0.8556 0.9483 1.2145 1.6667 0.9807 1.0887 1.4220 1.0691 1.1695 0.8857 1.5773 0.9855 1.0097 1.0345 2-hydroxyphenylacetate 0.5213 0.7255 1.3742 1.1383 0.7417 0.6417 1.6442 1.7789 0.6817 0.5458 1.2394 1.0990 0.5127 0.6408 1.3719 1.8098 3.4238 0.5940 3.0381 0.7592 2.3696 0.8481 0.5885 1.0671 2.5768 0.3926 1.6047 0.2962 0.5384 1.2097 1.0643 0.4874 0.9512 0.9158 1.3410 0.8480 0.8700 1.1717 1.6855 0.5387 1.4881 0.6083 0.3739 2.4122 7.2999 0.6469 1.0582 1.3594 7.1762 1.1137 1.5004 1.1922 1.4995 0.2962 1.4379 0.6666 0.6657 0.2962 0.9465 0.4047 1.0426 0.2962 0.2962 0.9335 0.2962 0.9193 2.2932 0.2962 0.8691 1.2953 0.6347 0.2962 1.1417 0.7561 0.5038 1.0000 0.6110 1.1965 0.9606 0.6843 0.6958 0.3920 1.1330 0.6289 0.5589 1.0827 0.5107 1.0268 2.1508 1.3713 1.1276 1.4843 1.0663 0.5928 2.0025 0.7051 0.7552 0.7629 0.5803 0.9804 0.7601 2.8048 1.1231 0.6308 1.0670 0.8826 0.5923 1.1565 1.3881 1.1594 0.5516 0.5190 0.7812 0.7771 1.4554 1.1481 6.3465 1.0296 0.7277 1.1760 0.8153 0.4198 1.5663 2.5434 0.8119 1.0325 1.1929 1.1556 0.9532 0.2962 1.0187 2-hydroxyphytanate* 0.3221 0.4513 0.6216 0.8908 1.0447 0.9171 1.3269 0.7504 0.8258 1.7881 1.1624 0.8574 0.3530 1.7344 1.1933 0.3749 2.2136 0.2898 0.4116 2.4995 2.9600 0.2892 1.7451 0.3867 0.3846 0.5965 0.5149 0.5795 0.7929 0.3083 0.7194 0.9484 1.9916 0.4304 0.3400 0.6935 0.5548 1.2460 0.5526 0.2841 1.0213 0.6614 0.5981 1.0105 1.3981 0.2391 0.9717 1.0188 0.4488 0.5498 0.5144 0.5294 1.0440 0.9392 0.3152 1.5976 1.3750 1.6288 0.7343 0.4582 2.2090 0.9471 2.3057 1.1726 1.3273 1.6059 0.8317 1.4846 1.4305 3.3458 0.9046 0.6322 0.7092 1.6998 1.3723 0.7888 1.0221 1.2767 1.7732 0.5528 2.3759 1.3016 1.5032 1.0000 0.6709 1.8684 1.6276 1.4880 1.4528 0.7442 1.2202 0.8058 1.2128 1.3288 1.2108 1.7344 0.9595 0.6035 0.6359 0.9080 0.6682 0.8257 0.5607 0.9462 1.0067 1.0585 1.0076 4.2722 0.8249 1.5381 1.3583 0.7186 1.5342 2.5871 0.9585 2.3174 0.4351 1.1351 0.4305 1.1299 1.2536 1.7357 0.8430 1.9206 1.2478 1.1229 1.1216 0.7181 1.6386 1.3556 1.1435 2-hydroxysebacate 0.6966 0.9328 0.7764 0.9264 0.8456 1.4329 0.5164 2.5754 0.5164 1.3064 0.9527 1.6162 0.5164 1.1052 0.6173 0.8744 2.2176 0.8379 0.5164 0.5164 0.7626 1.1049 1.1463 1.0988 0.5164 1.1847 1.7363 1.0581 0.5164 0.8747 0.5164 0.8616 0.8559 0.5164 0.6885 0.7348 0.7209 0.6467 0.5164 1.3099 0.6288 1.0091 0.6225 0.7759 2.9255 0.5164 1.9755 3.7920 2.1837 0.5164 1.4919 0.8198 0.5164 0.7388 0.5164 0.8990 0.8767 1.0061 0.8813 0.7828 0.8281 0.9148 1.1902 1.0000 0.5164 0.5164 1.1201 0.7926 1.0027 0.6411 1.6892 1.7317 0.8698 1.3623 0.7525 0.9235 1.1419 1.3372 1.1822 1.1798 1.2687 1.0421 1.9051 0.8477 1.3741 2.1011 1.3539 1.3459 0.5164 0.8721 1.5762 0.8435 1.2841 0.8872 1.5127 1.5458 0.6961 0.5164 1.0917 0.7750 0.5164 1.3928 0.5164 0.9592 0.5164 1.3627 0.6974 1.4299 0.5164 0.7912 1.0074 0.5164 0.5164 1.0517 0.5164 1.4004 0.7359 0.5164 0.5164 0.8724 0.7250 0.6217 0.8854 1.5457 0.5164 1.4252 0.8464 0.9599 1.2214 0.5164 0.7999 2-hydroxystearate 0.7212 1.6853 1.2492 0.9126 1.4935 0.7753 0.9533 0.8946 1.0135 1.0288 1.1963 1.1695 0.9667 1.0692 1.1320 1.0565 0.5639 0.9510 0.8434 0.8222 0.9422 1.0181 0.8558 0.6786 1.4815 0.8744 0.8952 0.7039 1.0658 1.3132 0.7311 1.2339 0.8432 0.7720 1.0718 1.0506 1.3862 0.9431 0.9031 0.6147 0.6652 1.3745 1.2341 1.1373 1.5897 0.8215 1.0385 1.4245 0.6894 0.8984 0.9508 0.9414 0.5432 0.6142 1.1095 1.7542 1.2993 1.0946 0.9742 1.1907 0.9265 0.8544 0.8254 0.8535 1.1973 1.4268 1.4901 0.8993 0.8948 1.2661 0.9879 0.5679 0.7573 1.0751 1.2107 1.1313 0.8689 1.1505 1.9134 0.9416 0.9579 1.1634 1.4881 1.5421 0.9301 1.0085 1.3332 1.4307 0.8469 1.5525 1.3705 0.6903 1.4568 0.9050 0.8406 1.3911 1.2710 1.0902 0.9342 0.8976 0.8433 1.5486 0.8130 0.8684 0.9925 1.0640 1.3465 0.7989 1.0972 1.0538 0.9670 1.0494 1.5027 0.7217 0.9639 1.2232 1.0013 0.9033 0.9697 1.4716 1.3535 1.0880 1.0722 1.1197 0.9440 0.7990 0.8307 1.4476 0.8945 0.9313 1.0000 2-isopropylmalate 0.9029 0.1707 0.1707 1.7279 5.2884 6.9774 0.1707 1.4472 0.9319 1.6467 0.8506 1.1267 0.1707 0.5532 0.1707 0.1707 3.9928 0.1707 0.1707 0.1707 5.5885 0.8858 0.1707 0.1707 0.1707 0.1707 0.7975 0.6594 0.1707 0.1707 1.1704 1.5531 1.0123 1.1404 1.1890 0.8191 0.1707 1.1964 0.7751 0.1707 1.5941 0.1707 0.5432 0.4914 2.7665 0.1707 1.0132 0.1707 6.7368 0.1707 2.0421 0.7424 0.1707 0.7046 0.1707 0.8264 0.1707 0.1707 0.8605 0.1707 1.3202 1.6188 0.1707 1.2929 0.1707 0.1707 1.2612 0.1707 1.9075 1.0000 1.1038 0.1707 0.5964 0.9699 0.7837 0.1707 0.6212 0.1707 0.6626 1.2347 2.1842 0.8712 0.1707 0.9159 0.1707 0.1707 0.1707 0.6649 0.6649 0.1707 0.5892 2.0696 2.8048 0.7428 3.5643 1.3129 0.1707 0.1707 0.1707 1.6318 0.1707 10.1421 1.6852 0.1707 0.8707 1.7444 0.5701 1.0327 1.7317 0.9638 0.6806 0.8616 0.9170 0.1707 0.1707 18.0139 0.9375 0.8183 0.8748 0.6584 0.1707 0.1707 0.7406 0.1707 0.1707 1.4710 0.1707 0.1707 1.4260 0.9278 0.8880 2-keto-3-deoxy-gluconate 1.3161 0.8353 1.3932 1.4584 1.9601 0.6420 1.0860 1.8925 0.6074 1.4627 0.9429 1.1081 0.7577 0.9656 1.1153 1.5528 1.5176 0.9219 1.2897 0.8911 1.0475 0.6729 0.7523 1.0051 0.8804 1.2001 1.5512 0.7961 0.8589 0.9690 1.0972 0.9069 0.9909 0.4885 1.3291 0.9365 1.0698 1.8153 1.2597 0.4686 1.0996 1.3080 0.8491 1.0219 2.0575 0.7038 1.3205 1.3216 1.4466 1.1276 1.7918 0.6883 0.5692 0.7840 0.7966 1.2656 0.6596 1.0317 0.7919 1.1258 0.9345 0.3753 0.6320 0.9607 0.8156 1.0871 1.4968 0.8778 0.8649 0.6254 0.9497 0.7597 0.6563 0.8778 0.4584 0.8625 0.4411 0.8578 1.0844 0.9053 0.8439 0.9912 1.1247 1.2089 0.5866 0.8800 0.7347 1.3862 0.9759 1.3088 1.0762 0.4828 1.1055 0.6570 0.7153 1.1074 2.7642 1.1839 1.1983 1.3407 1.4794 1.2131 0.8291 0.9761 1.1339 1.2994 1.0967 0.8370 1.1206 0.9081 0.9279 1.9295 1.0000 1.8876 1.3445 1.1025 1.4819 1.7614 0.8956 0.6001 0.9499 1.3632 1.1907 0.9960 0.5531 1.1441 1.0973 1.1216 1.1059 0.8854 0.8722 2-ketocaprylate 0.7750 0.8769 0.5529 1.0284 2.0500 1.0317 0.5919 2.3370 0.7800 1.2144 0.6248 2.7863 0.2144 1.2286 0.8441 0.5662 2.7873 0.1847 0.9314 0.8790 1.8131 0.3933 1.0000 0.5830 0.3955 0.4118 1.1709 0.5234 0.5274 0.5140 1.1067 2.0869 1.3223 0.3540 0.9301 0.3135 0.8705 1.1913 0.3231 0.5668 0.4420 0.7850 0.5708 1.0764 1.4450 0.2426 1.5513 5.6188 1.2131 0.8559 1.4823 0.8871 0.7423 1.4555 1.1403 1.9076 1.0223 1.4815 0.7169 1.0071 0.6767 1.0219 1.5011 1.6114 1.1324 0.7315 1.4968 1.8497 1.8783 2.0491 1.1169 0.9956 1.6040 1.7309 0.7269 1.1966 1.1812 1.3939 1.1482 0.6976 0.8264 1.1699 1.9569 1.4435 0.8623 2.5202 0.8169 1.4219 1.5295 0.8588 1.8052 1.7216 1.3139 3.4215 2.9651 1.0100 0.6904 0.4044 0.6662 1.4874 1.6904 0.8294 0.8213 0.8974 0.6890 2.9086 0.6340 1.3850 0.7576 0.9775 0.6443 0.3354 1.3377 0.6699 0.5377 3.6857 0.9061 0.4835 0.3126 0.4896 1.7502 0.5256 1.0058 1.4048 0.4084 1.0914 0.5649 0.5450 1.0468 0.9642 1.3599 2-methoxyacetaminophen glucuronide* 0.8477 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.8660 0.1753 0.1753 6.2670 16.3126 0.1753 0.1753 0.1753 0.1753 1.0000 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 6.8530 0.6037 0.1753 0.1753 0.1753 3.1743 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.7624 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 4.9891 0.1753 1.1428 0.1753 0.1753 0.1753 0.1753 10.4599 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 50.4392 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.4474 0.1753 0.8399 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.1753 0.3004 0.1753 2-methoxyacetaminophen sulfate* 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.9140 4.0134 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.9815 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 1.0185 0.4202 0.7866 0.4202 0.4202 0.4202 0.4202 1.7260 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 11.4455 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 0.4202 2-methoxyresorcinol sulfate 0.3894 1.0000 0.6216 0.3225 1.0127 1.3174 2.6587 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.5881 0.3225 0.3225 0.3225 0.3225 0.3225 6.9054 0.3225 0.3225 0.3225 0.3225 0.4313 0.8117 0.3225 0.3225 0.3225 0.3225 7.3357 0.4583 1.0497 3.8727 0.8520 0.3225 0.3225 0.3225 20.4556 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.3847 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.6712 1.9839 0.9855 9.6778 0.3225 0.3225 0.3225 1.8842 0.3225 0.3225 46.1321 0.5707 0.5766 0.3225 0.3225 3.0621 0.9632 0.3225 0.3225 2.2079 0.3225 0.3225 0.7456 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 2.0121 0.3225 20.0861 0.3225 0.3225 0.3225 0.9649 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 8.5269 12.4321 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 1.0678 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 15.8675 0.3225 0.8357 0.3225 0.3225 0.3225 0.3225 0.3225 0.3225 0.4257 0.3927 0.3225 0.3225 0.3225 0.3225 0.4066 2-methylbutyrylcarnitine (C5) 0.4765 0.7281 1.1591 0.9547 0.8524 1.2122 1.6876 1.4871 0.7480 1.6029 1.2796 1.0376 0.9400 0.6141 1.8429 1.4355 2.1442 1.6560 2.1361 0.8520 0.8414 1.1794 1.1835 0.5345 1.0185 0.8353 1.9971 0.9596 1.5225 1.2385 1.7189 1.1939 1.0022 1.0593 2.1458 1.1273 0.9810 2.1121 1.6894 0.9386 3.7698 1.2249 0.6659 1.6808 3.2823 0.7523 1.1482 0.9791 2.6995 0.7145 0.9202 1.2188 0.2637 0.5845 0.2720 0.8359 0.3604 0.4054 0.6581 0.5677 0.9937 0.5961 1.6957 0.6976 0.6205 0.5163 1.1754 0.6969 0.4927 0.5569 0.3195 0.1828 0.8525 0.9424 0.3642 1.0143 0.1828 0.5324 0.4134 0.4214 0.8375 0.8030 0.9859 0.4858 0.6258 0.9287 0.8916 0.7585 1.1739 0.6849 0.7249 0.6760 1.0325 0.5024 1.1701 0.9058 1.4271 1.4026 1.3532 0.1828 0.9898 2.4566 0.7486 1.2171 1.0936 1.0058 0.8742 1.3310 1.5002 1.2328 0.7270 1.0066 1.3197 1.0104 1.3933 0.7666 2.1749 0.9358 1.0464 0.9200 1.0168 1.2904 1.1798 1.5372 1.5858 0.1828 1.1356 1.6549 1.2952 1.2073 0.9978 2-methylbutyrylglycine 1.0824 0.9785 1.0318 1.2267 0.9051 1.2826 1.1598 1.2023 0.9782 0.9647 1.0068 1.0601 1.0262 0.5769 1.0452 1.4771 0.6235 1.0595 1.6157 1.0157 0.9088 0.9727 1.1907 0.9625 0.9373 0.8721 0.7049 0.9287 0.9148 0.9925 1.2166 0.8776 0.9004 0.9905 1.1542 1.1880 1.0052 1.5512 1.2388 1.0913 1.2119 1.4254 0.8853 1.1482 1.2037 0.8648 0.7563 1.0261 1.0883 1.0490 1.1752 0.8573 0.4211 0.9947 0.3013 1.0070 0.3013 0.9047 0.7410 0.7740 1.0946 1.2266 1.1038 0.7863 0.6724 0.5935 0.8374 1.1726 0.5388 0.9833 1.0477 1.0023 0.9483 1.0598 0.9968 0.6184 0.8697 0.6406 0.7141 0.5562 0.3013 1.1123 0.6124 1.1548 1.2399 0.9551 1.4606 0.7727 1.0476 0.8035 0.8489 1.0510 1.2825 0.8920 0.3013 0.7811 0.7544 0.8904 0.9259 0.9952 1.1719 0.8317 1.0598 1.0177 0.5937 0.9662 1.1577 1.0024 1.0066 0.8468 0.9321 0.9977 0.8481 1.0422 1.0370 0.9937 1.7453 0.9533 0.8220 1.1335 1.0749 1.0328 1.0580 1.1566 0.7757 0.9427 1.0920 1.3432 1.2082 1.0686 1.1181 2-methylserine 0.0632 0.4289 0.0632 0.4133 0.3935 0.7900 1.3517 0.0632 0.8981 0.0632 0.0632 1.2349 0.5124 0.3586 1.5116 0.0942 2.1803 1.5466 0.2818 1.2649 0.3677 1.2709 0.0632 0.0632 0.2943 0.6113 0.0632 0.0632 0.7476 0.5229 1.4379 0.0632 0.0632 0.9471 0.3485 0.0632 0.0632 0.4548 1.5988 0.7012 0.0632 1.3566 0.0632 0.0632 1.2257 0.3648 0.0632 1.0881 0.0632 0.0632 0.0632 0.6048 0.0632 0.6513 0.0632 0.1399 0.1888 0.0632 0.0632 4.5437 0.0632 0.0632 2.0356 1.0109 0.4081 0.6841 0.0632 1.3316 0.0632 3.1802 0.0632 0.4140 0.0632 1.1842 0.6448 1.2817 0.5589 0.0632 0.0632 1.5484 0.0632 1.5148 0.9819 0.0632 2.2986 1.4682 1.6466 0.0632 0.0632 1.0180 0.4728 4.4962 0.4372 3.0583 0.4612 1.0947 1.7181 0.0632 2.2200 1.5070 1.6446 3.2079 0.5577 1.5113 1.3149 0.2932 0.7353 0.9543 0.8716 0.1434 0.0632 0.1240 1.1095 1.6682 0.0632 0.0632 1.8362 1.2994 0.0632 0.5012 1.6286 1.5947 0.0632 0.5500 1.1119 1.1143 0.0632 0.2213 1.5811 0.9891 0.0632 2-naphthol sulfate 1.0085 2.2078 0.2551 1.2625 0.6322 0.2276 1.1538 1.4393 1.1499 0.2276 0.4107 1.7455 0.7968 2.5571 1.8974 0.2276 7.0300 0.5673 1.0243 2.3697 0.3909 1.6246 1.1445 0.2586 4.4348 1.0000 1.4984 3.6506 0.9453 0.8964 0.2276 1.6613 1.0095 0.2506 0.2276 1.2101 6.7174 5.0318 0.9272 3.6584 0.5829 0.5498 0.6468 0.2276 0.7206 0.2276 0.8788 2.2306 4.3733 2.8748 0.2276 0.2276 0.7914 0.2276 0.2276 0.2276 1.6825 0.7445 0.7455 0.2276 2.2963 0.7599 0.7339 0.9488 0.5312 0.3180 0.3900 1.0412 0.6986 0.3890 1.9270 0.5275 0.2276 3.5007 1.5488 0.4071 0.2276 4.0378 0.6149 0.6179 1.5964 2.1478 3.8487 0.6317 0.2276 0.6680 0.9939 0.2635 0.6144 0.6833 3.3327 0.9138 0.6673 0.2276 2.5240 0.6410 1.2781 0.4681 6.2265 1.9481 1.4402 0.8629 2.6382 2.7796 1.1711 1.9820 1.0631 0.5533 0.4522 1.0545 0.2276 2.4830 3.6559 0.3616 0.6453 0.7166 0.2276 1.3645 0.2276 0.2276 1.0571 0.2276 0.7785 0.9719 0.3652 0.2864 1.7777 0.2695 0.6275 0.2276 2.8307 2-oxoarginine* 0.3194 0.2739 0.6582 2.3728 1.1311 0.5012 1.7992 1.8988 0.9582 1.6380 1.3113 1.4810 0.4528 0.5751 3.1763 0.4958 5.6756 1.1782 1.8493 1.0000 2.2479 0.8248 1.3895 1.2423 0.4893 0.7437 0.8514 1.0311 0.9207 0.7900 0.9500 1.1249 0.7103 1.1770 0.9169 1.0079 0.6985 2.8050 1.4657 0.7909 8.3860 0.8592 0.5209 2.1780 2.1858 1.1972 1.2185 1.0129 2.0999 0.6887 0.6270 2.9683 1.2525 0.5415 1.1969 0.9828 1.0909 0.4430 0.3849 0.9010 0.6717 1.0200 0.8253 0.8949 0.5950 2.2718 1.1226 0.5358 0.6735 1.4098 0.7496 0.3443 0.6353 0.8424 0.7855 1.1628 0.4963 0.4351 0.7916 0.8049 0.7992 0.7309 0.6732 0.7255 0.7289 0.6886 1.0045 0.9269 3.5150 1.1258 0.6741 0.6306 1.0913 0.5573 2.7692 1.0121 1.4287 2.5029 0.7135 0.5799 1.1337 2.0063 0.8722 0.8076 2.7081 1.4012 0.7406 1.9853 1.8940 1.1768 1.0361 0.8989 0.9478 1.2706 1.4489 2.1868 3.0980 1.5357 1.5997 1.8812 1.2281 0.8941 1.1657 0.8843 1.3793 0.8045 1.1887 1.1908 0.6269 0.4040 1.2442 2-piperidinone 2.6855 0.1703 4.6179 0.6781 2.7807 0.3772 3.5970 9.8140 0.1457 1.2842 0.2387 2.0105 0.2574 0.3292 0.0345 0.1286 6.4995 0.4970 2.0935 0.1830 2.0620 0.1248 0.5183 1.7342 1.2234 8.8405 1.1197 1.0158 4.4520 7.5515 8.8359 0.0345 0.0345 9.1802 0.0345 0.1262 0.0345 5.8373 7.5144 2.5195 5.1242 13.0653 0.4130 0.3125 0.7294 0.0345 0.6123 1.8234 1.7733 0.9842 1.5523 4.3056 0.1957 0.5744 0.5127 0.4330 1.2823 15.9356 0.6488 0.4951 2.5617 4.2113 0.0732 12.5226 0.0781 0.0345 3.5171 0.4464 4.6968 1.1540 0.0345 9.3773 1.3946 2.0479 0.2955 4.6582 0.3662 0.7438 0.0345 0.5646 0.9196 0.1969 0.0345 0.2126 0.4610 1.0187 3.8438 5.5207 0.3513 0.5363 0.8397 0.0345 0.8994 0.0345 0.0345 1.4392 0.0345 0.7641 0.0345 4.5097 11.5207 1.1380 0.3687 0.1685 3.2323 14.0250 1.1146 0.6284 1.0922 0.0345 2.3077 0.0345 0.2672 0.1553 0.0345 0.5679 1.4103 0.7714 1.6448 0.0345 0.3728 0.0345 0.7467 0.5177 0.3085 1.3719 0.4616 7.0921 0.3895 0.4136 0.3652 2-pyrrolidinone 1.3247 0.8649 1.1167 0.8738 5.6780 1.1313 0.7464 1.3668 1.1627 1.5764 1.4139 1.6113 0.2837 0.2837 0.7647 1.3286 0.2837 0.7435 0.2837 0.9403 1.4126 0.2837 0.9963 1.1431 1.0958 0.2837 1.3847 0.3890 0.2837 0.8871 0.2837 0.2837 0.2837 0.2837 1.0784 0.2837 0.2837 0.8801 0.6732 0.9131 0.2837 2.1275 0.6221 0.5967 0.3413 0.5880 1.2779 0.7241 2.3585 0.2837 0.8192 0.7419 0.2837 1.0491 0.6740 1.2045 0.2837 0.8903 1.3336 0.2837 0.2837 1.1860 1.1073 0.7585 0.9158 0.2837 1.3710 0.8706 0.2837 0.7526 1.0373 0.6375 0.7593 0.9733 0.2837 0.2837 1.5621 0.8403 1.0435 0.6699 0.8497 0.9436 0.8872 0.5599 0.2837 0.2837 1.5545 1.0000 1.1531 0.8968 1.0554 0.2837 1.0709 0.6000 0.2837 1.6430 0.9819 1.3513 0.3578 2.2701 0.2837 1.3551 1.0389 0.7713 1.0813 1.6623 0.7485 0.8437 1.1324 1.2411 1.2512 0.2837 0.9151 1.2034 0.2837 0.2837 1.8754 1.7915 1.4222 0.8894 1.0496 0.2837 0.9195 1.2925 0.9631 1.8288 0.2837 1.2536 0.8602 0.9095 0.9085 21-hydroxypregnenolone disulfate 0.8246 1.5230 2.0965 0.4138 1.9019 0.1238 0.4799 0.4537 0.6370 0.3590 1.8409 0.5551 0.2741 0.3776 0.5733 0.6256 0.9150 1.0528 1.8203 1.2552 0.5216 1.9386 0.2865 0.7875 3.5874 0.8616 1.1336 1.9732 1.0669 1.6497 1.1249 1.0609 0.9829 1.7439 1.5030 1.0602 0.8233 2.2757 2.2746 0.9882 0.9609 0.6653 0.9008 1.6323 1.6498 0.5906 1.1659 1.3140 1.5397 0.8973 0.7519 0.4954 0.6166 1.4012 0.9788 0.5937 0.2319 0.2902 1.0054 0.3721 1.0615 0.5089 1.6573 2.3921 0.7035 0.9801 1.0510 1.2849 0.5246 1.0802 1.4609 0.6042 0.6142 0.4885 0.3799 1.5779 1.2890 1.5140 0.4774 0.5824 0.7033 0.7166 1.5655 1.7229 1.4622 2.7869 0.3329 0.1238 0.5559 0.5290 0.5762 1.4389 2.5740 0.8096 1.3490 0.7884 0.5251 0.4380 1.9654 1.2730 0.7179 0.7649 1.1478 1.0727 1.3784 1.4567 2.6144 2.0756 0.6390 1.1898 1.6782 0.7690 0.9946 1.0891 2.1801 0.5783 2.7330 1.2334 1.2820 1.1878 0.3676 0.6739 2.1082 1.1411 0.8253 1.2079 0.7741 0.1745 0.7856 1.0963 2.5045 2R,3R-dihydroxybutyrate 0.7343 0.5540 1.0529 1.9302 1.0759 1.1253 1.0998 1.0440 0.9226 1.2727 0.8485 1.3100 0.6390 1.0382 1.4233 0.7942 1.5168 0.8622 1.7118 0.7347 1.0414 1.6158 1.1136 1.0684 0.7544 1.0419 1.0143 1.1627 0.8553 1.0354 1.0445 1.5608 1.3887 1.3813 3.0998 1.0724 0.8804 1.5780 1.3230 0.8526 1.2954 1.6527 0.8812 1.0221 1.6074 0.9457 1.1162 1.3099 2.6517 1.0750 0.8951 1.1086 1.2268 0.4485 1.1009 0.6361 0.9264 0.5553 0.6004 0.7317 1.0226 1.1996 0.6415 0.5988 1.0528 0.7626 1.0465 0.4435 0.7430 3.0931 1.0477 0.6138 0.8506 0.6980 0.5582 0.9641 0.8092 0.5432 0.9583 0.5422 1.1303 0.6253 0.7109 0.7431 0.4976 0.6178 0.7867 1.0596 1.5823 0.6415 1.2769 1.4765 0.8979 0.4778 0.9953 0.8299 0.7709 1.5576 0.7981 0.7678 0.8027 3.7145 1.0464 0.6713 1.0974 0.5954 0.4940 1.3623 1.0931 1.1778 0.6371 0.9997 0.8086 1.1314 0.8326 0.9674 2.3405 0.7963 1.3550 2.9396 0.7665 0.5959 1.0000 0.8479 1.0297 1.0136 0.9342 2.1893 0.9462 0.5174 1.3287 2S,3R-dihydroxybutyrate 0.2587 1.2920 1.8595 1.3167 0.6022 0.5549 2.1285 1.0997 0.5266 0.8970 1.5038 0.7329 1.0296 0.9800 1.4863 1.9326 1.9401 2.2938 2.0442 0.5387 0.5778 3.7437 1.0337 0.9726 1.9271 0.7011 2.2147 1.7594 1.9922 1.2266 0.9398 0.5693 0.6807 2.4277 2.5020 1.6917 0.5946 1.7739 1.0817 1.7696 0.8165 2.1616 1.5272 3.5456 0.9852 2.1811 0.7515 0.8764 1.8352 1.3108 0.4661 0.6287 0.4350 0.5071 0.6600 0.7070 0.7926 0.5260 1.1468 0.3217 0.6386 0.8024 0.8044 2.1539 0.3522 0.3259 0.8538 0.3388 0.5048 0.6445 0.6250 0.5640 1.1540 0.9890 0.4823 0.8616 1.1190 0.6023 0.5578 0.2350 1.4065 1.1568 2.1363 0.6347 0.7074 0.6199 0.7855 0.7404 1.3054 0.3434 0.6519 1.0000 1.9411 0.7281 0.4933 1.1227 1.0356 1.0653 1.5857 0.9550 0.4100 1.5561 0.7836 1.0254 0.9776 1.4265 2.3410 0.7198 1.6506 1.5260 1.5878 1.7927 0.9670 1.9289 3.6441 1.1344 1.3201 1.4747 1.6011 1.1171 0.8562 0.8411 1.5947 1.5871 0.8185 2.6262 1.2019 0.9474 1.5497 2.8170 0.8570 3,4-dihydroxybutyrate 1.5761 1.3084 1.4287 0.8328 1.2109 1.2480 0.9655 1.0410 0.6481 2.9442 1.2412 1.1526 0.8158 0.9245 1.1086 1.7629 1.5005 0.8970 1.2620 0.8566 1.3873 0.9170 0.7915 1.7027 0.9707 0.8361 1.3583 1.1299 0.9839 1.2276 1.5214 1.3661 2.3709 1.3398 1.4845 1.1209 0.7545 1.2325 1.4957 1.0048 0.7893 1.3670 1.4613 1.2188 2.1725 0.8466 0.9181 1.0692 2.3539 1.3134 1.1668 0.9707 0.5578 1.4667 0.6916 0.9797 0.7294 0.6851 0.8463 0.6262 1.5934 0.9297 1.0000 0.9034 0.8881 0.6068 0.8250 0.7706 0.7434 0.8166 0.7606 0.5945 0.7891 0.6830 0.5629 0.8054 1.2831 0.9225 0.8108 0.7716 0.8503 0.6961 0.8466 1.0565 1.0861 0.8655 1.0507 0.8688 0.8493 0.9193 1.0274 0.8346 1.0710 0.6067 1.9544 1.0504 0.7349 1.4952 0.9086 1.3853 0.9327 2.1807 0.9594 0.8773 1.0450 1.0185 0.9012 1.1788 1.1937 1.2695 0.9490 0.9926 1.1071 1.1617 0.8125 1.4135 1.6736 1.1211 0.9523 1.1699 1.0646 1.1081 0.9633 1.1224 0.9046 1.1011 0.8607 1.3705 1.1602 0.9447 0.9898 3,4-methyleneheptanoate 0.4653 1.8679 1.0541 2.0173 2.1646 1.4075 1.3127 4.4370 0.6310 0.8737 0.8933 1.2405 2.2064 2.2470 0.4630 0.7849 4.0680 0.4471 0.3452 0.8803 0.7779 1.0328 2.0013 0.7280 0.8544 0.5255 0.8584 1.4253 1.7000 0.2578 0.2578 0.5070 0.5884 0.2578 0.2578 1.0710 0.6132 0.3993 1.3587 0.4938 0.2578 0.3841 0.9672 0.2578 0.6616 0.2578 0.2578 6.0580 1.5544 0.3617 1.7895 1.3884 0.4859 1.2572 1.5745 0.7872 0.2578 0.8866 0.7362 0.2578 0.4609 1.5490 0.4650 1.3944 0.8489 1.1123 0.6625 1.2211 0.7001 0.7760 2.1259 2.1408 2.3725 0.8088 0.4827 2.0460 1.3921 0.8498 0.9457 0.5300 0.8416 1.9487 1.4040 1.9795 0.6875 0.7381 0.2578 1.8679 2.3731 0.9668 1.1314 2.2235 0.7210 0.5752 2.0396 0.8056 4.0470 1.0906 1.0590 0.2578 7.4328 0.2920 0.9207 0.2578 0.8844 1.4428 0.7194 1.3304 2.0105 1.8587 4.5587 1.4198 1.0857 1.6420 1.0960 3.3078 0.3577 1.5477 0.2578 0.5942 1.2605 0.2578 0.4449 0.6171 0.2578 0.5901 0.7250 0.7004 4.2102 1.4167 0.2681 3,5-dichloro-2,6-dihydroxybenzoic acid 0.6342 0.9989 2.1893 0.7776 1.4059 1.0762 0.8328 2.0222 0.6594 0.9148 1.6715 0.6913 0.9984 0.8553 1.3251 1.4154 0.7673 1.7183 0.7767 0.8539 1.6603 1.6290 0.9682 1.6916 2.1796 1.3889 1.9699 1.4989 1.1738 1.0041 0.8274 1.3357 1.4920 0.7440 1.4016 1.4451 1.4537 1.4919 1.3744 1.3275 1.8107 1.2065 1.5921 2.6678 1.1932 1.5574 1.3275 1.6401 1.0256 1.0259 2.7422 1.1677 0.5596 0.7045 0.8300 0.5337 1.8091 0.9476 0.8661 0.0468 0.7968 0.5722 0.5934 1.7685 0.7199 1.1904 1.4886 0.6829 0.7683 0.8234 0.5836 0.7078 0.7577 0.9232 0.4802 0.8184 1.0000 0.9047 0.6304 0.7643 0.6641 1.4007 0.7926 1.1441 0.6973 0.8639 1.1801 1.4658 0.6421 0.8838 1.2335 0.7162 1.5407 0.5799 0.7760 0.8430 1.0377 0.4359 1.0508 1.1271 1.8946 0.8799 0.9039 1.0873 1.2510 0.9524 1.0651 1.3421 1.0560 1.6913 0.6986 0.9572 1.0681 0.6551 1.1231 0.8564 0.6884 1.1296 0.5715 1.0705 0.7685 0.8983 0.6829 0.7330 0.7000 1.5962 0.5684 2.3537 1.0359 1.0049 0.8398 3,7-dimethylurate 1.6255 0.5551 0.3898 0.3898 0.3898 2.6713 2.4927 1.0000 1.4186 1.1493 1.3469 0.3898 1.3702 3.6224 0.4158 0.8021 0.3898 1.6262 0.3898 1.4513 0.9789 0.3959 1.0047 0.6479 0.4291 0.7332 0.3898 0.4329 0.3898 0.3898 0.3898 1.0746 0.4709 1.7562 0.5168 1.1009 1.7080 0.5979 1.1002 0.3898 0.3898 0.3898 0.6094 1.3669 2.4801 1.9231 0.6439 0.3898 0.8382 1.0695 0.9787 2.2634 2.1240 0.5768 1.5840 0.6368 0.8345 0.3898 0.3898 0.3898 0.3898 1.6069 1.9969 2.5939 0.4389 0.8511 1.5101 0.3898 0.3898 0.3898 2.2201 0.3898 0.6259 0.4713 0.3898 0.3898 1.0778 0.4707 1.4783 2.6912 1.4475 0.6880 0.9269 0.3898 0.7774 0.3898 0.3898 0.5233 0.4704 2.5688 2.6102 0.3898 0.3898 0.3898 7.4042 0.3898 0.3898 0.3898 0.3898 0.3898 0.6420 0.3898 2.6923 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.8660 0.6948 0.5529 0.3898 0.7444 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.3898 0.4069 1.3128 0.9123 3-(3-amino-3-carboxypropyl)uridine* 1.1096 1.2170 1.1183 1.0916 0.9107 1.5011 0.6641 1.1203 0.9068 1.0725 1.0200 1.3995 1.0042 1.3173 0.8965 1.3204 1.3256 0.8623 1.7851 1.0287 1.2122 1.1675 0.6962 0.9689 0.9699 0.9778 1.5245 1.1915 0.7431 0.9689 1.2157 1.1809 1.0932 1.1218 1.5780 1.1765 0.7617 1.0147 1.3295 0.8708 0.8770 1.2833 0.9725 1.0945 1.3605 0.8554 0.8237 1.0837 2.1039 1.0917 1.1724 0.6882 0.6539 0.6539 0.6539 1.1255 0.8844 0.7614 0.6923 0.7202 1.0788 1.2274 0.9303 0.8374 0.8608 0.7344 1.0266 0.7879 0.6539 0.6943 0.6539 0.7711 0.7632 0.6539 0.7110 1.0373 0.6539 0.8590 0.7606 0.8405 0.6636 0.9545 1.0778 1.1211 0.9554 0.9577 0.7177 0.9403 1.1618 1.0000 0.8072 0.7503 0.9624 0.6828 0.7447 1.2453 0.7563 0.9866 1.0150 1.3961 0.8520 0.7610 1.0514 1.0460 0.8818 1.0188 0.9397 1.2676 1.1467 1.3977 0.8690 0.9611 1.2446 0.8744 1.0140 1.5491 1.6438 1.1178 0.8474 0.9962 0.7582 0.9828 1.1082 1.3964 0.7534 1.3281 0.7960 1.0960 1.4403 0.8585 1.1505 3-(3-hydroxyphenyl)propionate 0.9981 0.2308 0.2308 0.2951 2.9129 0.7500 0.5045 2.3501 0.2308 0.2308 0.2308 3.8281 0.2308 2.4805 0.2308 0.2308 0.4106 0.2308 1.4999 0.7112 1.8891 0.2308 0.7410 0.4208 0.2308 1.9620 0.2308 0.2308 1.5797 0.3752 0.4399 0.6375 0.6090 0.5307 0.2308 0.2308 0.2308 0.5309 0.4710 0.2308 0.2308 2.0122 0.2308 0.2308 0.2308 0.2308 0.2308 0.2308 0.2308 0.2308 0.2308 0.3154 0.9787 0.2308 0.4784 1.7596 1.4668 0.7614 0.2308 6.0757 2.8871 1.1651 0.6598 0.4121 0.2308 0.2527 5.2089 0.2308 0.6473 1.3425 0.2308 1.2420 0.2308 1.0019 0.2308 0.8484 0.2368 0.2308 5.0938 0.7834 0.2308 0.2308 0.2308 0.2308 0.2308 0.9775 0.6747 0.4692 0.4149 1.2245 0.2308 0.7945 0.2308 0.4123 0.4220 0.2308 4.8105 0.2308 0.2308 1.5411 2.9176 0.5269 0.8343 0.2308 9.7479 2.4279 12.8216 0.3066 1.9800 0.2308 2.0435 0.2308 1.8158 0.2308 3.3906 9.7763 1.2848 1.2546 0.5661 0.2308 0.2308 0.2308 0.4345 2.2991 1.6693 2.6140 0.2308 1.3360 9.0244 0.2308 1.4523 3-(4-hydroxyphenyl)lactate 0.7175 1.1648 0.8685 1.4077 1.4737 1.0262 1.2425 1.5826 1.7223 0.9895 0.8965 1.1326 0.7809 1.0768 0.8867 1.0394 1.2994 1.1558 1.5851 1.0753 1.3831 1.1535 0.8298 1.0231 0.9757 0.8948 1.1540 0.8142 1.0568 0.9298 0.6238 0.7928 0.9672 0.9114 1.2777 0.8167 0.6810 1.1300 1.6224 0.5714 1.9508 1.0713 0.8160 1.7427 1.2531 1.0534 0.5901 0.7971 1.5311 0.6682 1.2196 0.9245 0.6805 0.6286 1.3371 0.7382 1.1407 0.6789 0.5518 0.4271 0.9509 1.1374 0.8848 0.9610 0.8503 0.5744 0.9819 0.7016 1.1107 0.7506 0.7937 0.6292 0.4233 0.7526 0.8291 1.0452 1.2751 0.9891 0.7274 0.6473 0.8474 1.2540 0.9886 0.8246 0.8389 1.1173 0.7680 1.0655 0.7115 0.7109 0.5783 0.6430 1.0485 0.8895 1.2155 0.8595 1.1267 1.0604 1.3425 1.1457 1.4318 0.7224 1.6745 1.0655 0.8836 0.9690 1.0807 1.4044 1.4181 2.0108 1.3302 1.3668 1.2444 1.6608 0.8264 1.6363 1.2653 2.1961 0.6829 1.2621 0.8186 1.0000 0.8615 1.1761 1.0820 1.0338 1.0187 0.7416 1.0400 0.8236 1.0072 3-(methylthio)acetaminophen sulfate* 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.4375 0.1376 0.1376 19.3289 6.8812 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 26.2323 1.0000 0.1376 0.1376 0.1376 4.7078 0.1376 0.2372 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.3779 0.1376 0.1376 0.1376 0.4912 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.6152 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 2.5552 0.1376 1.6783 0.1376 0.1376 0.1376 0.1376 1.4583 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 5.1343 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.5641 0.1376 0.4169 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 0.1376 3-(N-acetyl-L-cystein-S-yl) acetaminophen 0.9566 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 1.0434 0.2850 0.2850 21.2631 31.1411 0.2850 0.2850 0.2850 0.2850 0.6543 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.3894 9.9846 1.6019 0.2850 0.2850 0.2850 3.8529 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.5656 0.2850 0.2850 0.2850 0.4654 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.8266 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 16.4881 0.2850 8.2132 0.2850 0.2850 0.2850 0.2850 20.1976 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 65.4915 0.2850 0.4476 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.5673 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.9497 0.2850 2.6898 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.2850 0.9119 0.2850 3-amino-2-piperidone 0.8021 0.9307 0.6105 1.1419 0.9842 0.7564 0.9787 0.9841 0.7923 1.8375 1.1312 1.0859 0.8175 0.6265 1.6546 1.1951 1.2999 0.9377 1.3910 1.2558 0.8260 1.1684 0.8011 1.1095 0.9177 1.4674 1.2785 0.8283 0.5188 1.2397 0.9195 1.2242 0.8105 0.7755 0.6802 0.9391 1.0875 1.1647 1.0039 0.9209 1.0267 0.9664 1.0683 0.7645 1.0675 0.9759 1.3328 1.0690 1.7007 0.9155 0.8484 1.4710 0.8798 0.9241 0.8619 1.1808 0.7296 0.6718 1.0416 1.2140 1.0699 1.3078 0.8554 0.9046 1.0234 0.3609 1.0657 0.8328 0.7794 0.9748 1.0010 0.7473 0.8271 0.7811 0.7355 1.2671 0.7524 0.7397 0.8870 1.3160 1.1004 1.1299 1.1567 1.2853 0.8739 1.0451 0.8489 0.9430 0.8326 1.1315 0.8983 1.0494 1.0209 1.1792 1.0000 1.0522 0.4427 0.8266 0.9295 1.4338 1.0000 1.4052 1.1261 0.9020 0.8294 1.2707 0.9250 0.7832 0.9932 1.1542 0.7379 1.0144 1.0493 0.9130 1.0893 1.5330 1.1761 0.8960 1.0153 0.3609 0.9725 0.5859 1.4365 1.1457 0.9380 1.1744 1.0048 1.0639 1.3571 1.0282 1.1828 3-aminoisobutyrate 1.0864 3.5066 0.7494 0.8669 0.4598 0.4969 1.4017 0.9204 0.5509 0.5658 1.4141 1.3324 0.6755 0.5384 1.1749 1.5092 1.2871 1.8390 1.6522 1.3351 0.6704 1.0182 0.9899 0.4060 2.5136 0.9418 1.9798 2.0486 0.9563 1.8760 0.6871 1.4275 0.9353 1.8215 1.3313 1.7506 0.5133 2.5029 0.5288 1.4375 0.4934 0.8109 1.3791 1.2898 0.9081 1.3821 1.3030 0.6768 1.7320 0.9279 1.2379 0.4645 0.9926 1.1924 0.6436 1.6881 0.2531 0.8867 1.4156 0.6863 0.3597 0.7518 1.1627 1.9312 0.3783 0.7847 0.9407 0.6535 0.4623 0.7171 0.6516 1.0778 1.2030 1.0541 0.4598 1.4097 0.7635 1.4386 1.1116 0.9592 0.7157 1.5265 1.5213 1.4123 1.5813 0.8753 1.3552 1.1299 0.8699 0.8407 0.8363 2.1479 2.6311 1.1560 0.8343 1.6743 1.0514 1.6243 0.5243 1.0000 0.8923 0.5432 0.5687 1.0932 0.6439 0.8938 2.0221 0.6445 1.3488 0.9939 0.3512 1.2394 0.8165 1.2887 1.8742 1.3414 0.6453 0.8479 0.6899 0.4942 0.6413 0.6326 1.8981 2.7298 0.3687 1.3774 1.0363 1.0704 1.8931 1.0684 0.7297 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 0.4211 0.7174 1.4909 0.6824 1.2581 0.9579 0.9879 1.5599 0.5013 1.1044 1.4564 0.4652 1.0905 0.6268 1.4011 1.1760 0.3596 1.5039 0.9134 0.6671 1.6471 1.3696 0.9582 1.4904 2.0411 1.3747 2.0225 1.2356 0.9441 1.2220 0.8631 1.2515 1.1565 0.5397 1.2292 1.4265 1.5901 1.5703 1.2969 0.9986 1.0530 1.2899 1.6558 2.5793 1.3021 1.5969 1.4813 1.2671 0.8984 1.0708 1.6373 1.1869 0.5480 0.8117 1.1771 0.6470 1.1918 0.8821 0.8131 0.3100 0.8354 0.6719 0.5433 1.7424 0.7236 1.0244 1.4726 0.6947 0.8557 0.9288 0.3100 0.5985 0.7301 1.0863 0.4577 0.9563 0.9936 0.8842 0.8367 0.4084 0.7179 1.3893 0.6861 0.9873 0.7659 0.9738 1.5182 1.5812 0.9273 0.7903 1.4154 0.8418 2.4255 0.6484 0.4606 1.1536 1.2314 0.5201 1.1128 1.1473 1.2596 1.0729 1.0261 1.0533 1.4028 0.9476 1.1013 1.2663 1.1349 1.3141 0.6553 0.7653 0.8229 1.0014 1.2469 0.9182 0.8989 1.2950 0.5890 0.9536 0.7448 0.7429 0.6764 0.5611 0.9544 1.5055 0.7713 1.9945 0.9977 1.3147 0.6678 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 0.5870 0.7706 0.7109 1.3997 0.9183 0.9014 1.8065 2.1404 1.7210 1.2173 0.4596 1.3086 0.4737 1.7245 1.0892 0.5561 1.8315 0.2674 1.0435 0.8213 1.2496 0.3022 0.5434 0.5320 0.4216 0.8017 1.0493 0.7948 0.4227 0.5972 0.9842 2.1822 1.9184 0.3202 0.5384 1.4661 1.1543 1.0079 0.9396 0.2455 0.9483 0.3823 0.5812 0.7211 1.0786 0.2649 1.1511 0.6336 2.1212 0.4651 1.3060 1.4042 0.5615 0.9173 1.1262 0.6909 1.3647 0.9463 1.0032 0.2016 1.0000 1.0573 1.5896 1.8286 0.8359 0.8978 1.5845 1.3260 0.9532 0.6996 0.9990 1.4681 0.8505 1.0323 1.0468 0.9120 0.6206 1.2351 1.8457 0.9552 1.2167 1.1933 1.0882 0.6877 0.6218 1.2912 1.1083 0.9781 1.4150 0.9021 1.2359 0.7778 0.9074 1.5121 1.6603 0.8173 0.4445 0.9291 0.8703 1.5301 1.2440 2.2130 0.6693 1.2258 0.9809 1.1723 0.9490 1.7279 1.0028 1.6794 1.4894 0.7067 1.7494 1.4173 2.2708 1.7186 2.6351 1.4477 0.6181 0.4826 1.5000 0.7940 1.4730 1.7066 0.9238 0.8688 1.0972 0.9802 1.6878 0.5510 1.1887 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 0.5344 1.2135 5.6006 0.4763 0.1528 1.1271 7.1644 0.5455 10.4807 0.5414 0.1784 3.9259 3.3303 1.4274 0.3158 0.9888 3.5339 0.3659 0.1364 0.0836 0.8141 0.6683 0.1467 0.1973 0.3177 0.8848 1.2649 0.9660 0.3935 1.1155 1.4238 0.2967 0.5659 0.0405 0.1821 3.6996 1.7250 1.7464 0.2053 0.1319 0.0510 0.2925 0.1876 0.3458 3.0698 0.1649 0.1646 1.0450 0.0816 0.3290 0.4413 0.6549 1.0070 7.5837 0.6369 0.9899 1.2634 6.6122 3.2178 0.0404 0.1312 6.1555 4.7917 1.5375 0.1509 0.2805 0.9093 0.3021 0.5095 1.9138 0.3849 5.2180 1.3742 0.6678 3.5400 0.8916 1.9641 3.0590 9.0426 3.5573 1.8782 0.1915 1.7697 0.0543 0.0847 3.0400 5.0968 2.4412 4.6498 0.0367 1.6168 0.5134 2.9795 3.5689 1.3399 5.6511 0.8430 0.3497 0.8285 3.0650 0.2083 6.4384 0.4480 0.0581 15.0424 1.0000 11.3145 5.6641 1.3659 1.8964 6.5138 1.0898 1.2927 4.4072 5.1524 0.1811 19.0727 1.6246 0.7705 0.8247 1.5969 1.2374 8.2683 3.3402 4.5565 0.6427 2.5949 0.2301 6.8550 0.2206 0.1869 3-ethylcatechol sulfate (1) 0.4659 0.4659 0.4659 2.6640 0.4659 0.4659 1.4700 0.4659 0.4659 2.5087 0.4659 0.4659 0.4659 0.4659 14.6542 0.4659 0.4659 0.4659 0.5374 0.6220 0.4659 0.4659 0.4659 0.4659 0.4659 0.4659 3.6093 0.4659 0.4659 0.4659 0.4659 3.0781 1.7012 0.4659 0.4659 0.4659 1.7294 0.4659 0.4659 0.4659 0.4659 0.4659 0.4659 0.4659 0.4659 0.4659 0.4659 0.4659 3.7210 0.4659 0.4659 0.4659 0.4659 0.6775 1.8400 0.4944 0.4659 0.4659 1.4467 0.4659 1.2342 0.6639 0.9311 0.4659 3.3646 0.4659 0.4659 0.4659 0.4659 0.4659 0.6407 0.4659 0.4659 0.5794 0.4659 0.4659 0.4659 0.7401 0.5138 0.4659 0.5705 0.4659 1.0000 0.4659 1.4667 0.4659 0.4659 0.4659 0.4659 0.4659 3.1905 0.5047 0.7742 0.4659 0.7800 0.8530 0.4659 0.4659 6.4633 0.4659 0.4659 7.2201 0.4659 0.4659 0.4659 0.4659 0.4659 0.5589 0.4659 0.4659 0.4659 0.4659 1.7663 0.4659 0.4659 0.4659 0.6926 0.4659 0.4659 0.4659 0.4659 0.4659 1.3633 0.4659 0.4659 0.4659 0.4659 0.4659 0.5092 0.4659 0.4659 3-formylindole 0.6275 0.7683 1.2593 1.4714 0.4859 1.8235 0.8852 1.2749 1.4631 0.7190 0.6324 1.3429 0.4075 1.1313 1.0764 0.6399 1.3648 0.6662 1.3929 0.6356 1.2291 0.8614 0.6958 0.7435 0.9383 0.5964 1.0832 0.9589 1.0275 1.1997 0.7883 0.8383 1.9204 0.9548 1.1025 0.7147 0.8011 0.9349 0.9481 0.7477 2.0299 0.8573 0.7123 0.9854 1.0818 0.9889 0.7728 0.6421 1.2927 0.7380 0.7574 0.9573 0.7995 0.7850 1.3295 0.9798 1.4512 0.7519 0.8656 1.0910 1.0172 0.8104 0.8691 1.0603 1.0430 1.1492 2.1829 1.0277 1.0994 1.1522 0.8993 0.8333 0.8226 0.8077 1.1336 1.3745 0.5822 1.3090 0.9829 0.8621 0.7267 1.1558 1.3724 1.1828 0.6244 1.0490 1.3309 1.1888 2.4280 0.9193 1.2891 1.1877 1.2138 1.0957 1.4506 1.1179 0.9624 1.1476 0.5097 0.9353 0.9505 1.1409 1.4749 1.0000 1.1128 0.8441 0.8472 0.8393 1.5672 1.3509 0.8352 1.0391 1.3615 0.9422 1.5754 1.0987 3.5622 1.1069 0.6681 1.2180 0.9507 0.8376 1.0946 2.3225 1.0100 1.2554 1.1971 0.8427 0.7907 0.8464 1.6575 3-hydroxy-2-ethylpropionate 0.6773 1.1319 1.4922 0.8199 0.8889 0.8893 1.1427 1.6956 1.1553 1.7033 1.5108 0.6047 1.5270 1.0905 1.4158 1.9590 1.3525 0.9370 1.5291 0.6876 1.0892 0.9948 0.8011 1.1918 1.1139 0.6844 1.3596 0.9665 0.9736 0.8909 1.2556 0.7418 1.0497 1.2437 1.3370 1.1976 0.9651 1.2858 1.6754 1.0030 1.2665 1.9351 0.7318 1.2654 2.5795 1.1085 1.0088 1.3883 1.7240 0.9570 0.9162 0.7090 0.6533 0.6181 0.5416 0.9211 0.8597 0.5545 1.3780 0.4598 0.7737 0.6487 1.3209 0.7155 0.5247 0.7334 0.8332 0.9837 0.8053 0.6906 0.9119 0.3960 0.6262 0.9428 0.5556 1.0988 0.6898 0.7627 0.8993 0.5764 1.0948 1.0541 1.0862 0.9632 0.8455 0.5875 1.0000 0.9336 1.0566 0.6449 1.0716 0.6686 1.1520 0.9186 0.5748 1.1270 0.9095 1.2621 1.0372 0.8410 0.6900 1.8477 0.6465 1.2559 0.8812 1.1759 1.3825 0.9833 1.3929 1.5565 0.8726 1.0350 1.1979 1.1686 1.0028 0.5800 1.6637 1.1579 0.7824 0.9526 0.6952 1.0226 1.0699 1.3592 0.9570 1.2137 1.0140 1.4227 1.0691 1.5404 0.9767 3-hydroxy-2-methylpyridine sulfate 0.5871 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.6378 0.4809 0.4809 0.6694 0.4809 0.4809 0.4809 0.4809 0.4809 1.0000 0.4809 0.4809 0.4809 0.4809 0.4809 1.6225 0.4809 0.4809 0.4809 0.4809 0.7438 0.4809 0.4809 0.4809 0.4809 1.5774 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 1.4864 0.4809 0.4809 0.4809 3.5908 0.4809 0.4809 0.4809 0.4809 0.5737 0.4809 0.4809 3.7373 0.4809 21.9218 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.6897 0.4809 0.4809 1.7096 0.4809 0.5654 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 1.0802 0.4809 0.4809 0.4809 0.9156 0.4809 0.4809 0.4809 0.4809 0.4809 2.7676 0.4809 0.4809 0.4809 3.7877 0.4809 0.4809 114.0642 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.9330 0.4809 0.4809 0.4809 0.4809 0.4809 1.2621 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.4809 0.6926 0.4809 0.4809 0.7510 0.4809 0.4809 3-hydroxy-3-methylglutarate 1.0430 1.3304 1.4357 1.2140 1.6839 1.4936 1.2064 1.3722 1.1811 0.9398 1.3572 1.0000 1.8014 0.7679 0.9924 1.5715 1.0611 1.0481 1.6097 0.9884 1.3023 1.0329 1.0919 1.6635 0.8963 0.8412 1.2912 0.9133 0.8390 1.3959 1.2324 2.3588 1.5580 1.3737 1.7386 0.9319 0.8237 0.8461 1.4694 0.9053 1.0462 1.2938 1.1855 1.2154 1.3500 0.9458 1.3565 0.9246 2.4227 1.0358 1.4115 2.4562 0.7756 0.7662 0.6830 0.9798 0.7039 0.8313 0.8165 0.7888 0.7225 1.3822 1.2384 0.8379 0.5436 0.6650 0.8134 0.7073 0.7296 0.8504 0.7180 0.6198 0.9938 1.1272 0.5405 0.7157 1.5666 0.7326 1.0638 0.9970 0.8732 0.7208 1.0195 1.0012 0.7488 0.7743 1.0112 0.8610 0.8401 0.9314 0.7278 0.7290 0.9067 0.7991 1.0328 0.9949 0.8064 0.6520 1.1652 1.1431 1.0479 2.1674 1.4827 0.6565 0.7574 1.3740 0.8141 0.9757 1.8219 1.1420 1.3671 0.9761 1.0399 1.0399 1.4382 1.2658 1.7378 1.2423 0.8835 0.8441 0.7341 0.7084 1.1517 0.8756 0.9240 1.0461 0.8577 0.9797 1.6443 1.2321 0.9216 3-hydroxyadipate* 3.3670 2.6845 1.6927 0.2974 1.3837 1.8944 2.1832 4.1884 1.8747 0.7733 1.3166 0.8313 1.0547 0.7900 0.6509 1.9722 1.7408 1.1578 1.3456 0.6458 0.4530 1.0195 0.8369 3.4551 3.2826 0.7551 1.2115 2.8872 1.6532 1.1178 1.6383 1.0000 0.8145 1.3645 3.3401 1.6857 0.5377 2.3684 2.6247 1.8539 0.3178 1.6362 1.1897 1.6313 7.7134 0.6256 0.8666 4.1735 7.4873 1.3825 2.0143 0.3625 0.3070 2.3026 0.2236 0.9871 0.3350 0.9471 1.2087 1.2611 1.7741 0.3488 0.4760 0.7161 0.4274 0.2236 0.4613 0.5917 0.2880 0.6664 0.7376 0.5960 0.5924 0.6718 0.2236 0.3813 3.6607 0.6051 0.6679 0.2765 0.4082 0.7287 1.5426 1.0441 0.7682 0.6257 1.0412 0.5534 0.2906 0.5171 0.6438 0.3637 0.9616 0.2832 1.6749 2.3595 0.4106 1.6436 1.7866 1.1486 0.8690 1.9477 0.5405 1.0794 0.4760 1.9382 1.8086 0.5326 1.9917 0.5174 1.1009 1.5014 0.8102 1.7941 2.4727 1.0524 0.8323 0.4710 0.8291 0.5332 0.2521 3.4242 1.8921 0.8755 0.3010 1.8780 0.6312 1.0323 3.3109 0.9751 0.5984 3-hydroxybutyrate (BHBA) 1.9402 10.5751 1.5632 0.2594 0.5904 0.3126 1.9618 0.9811 1.0717 0.9438 9.6994 0.3765 1.5774 4.7480 0.5996 2.8556 0.2419 2.9188 0.6613 0.4827 0.4296 4.2158 1.0000 1.8353 14.2332 0.5438 0.9453 5.3369 2.2654 2.0626 1.3248 0.3588 4.2149 5.1063 1.0812 1.2939 0.1999 0.3069 0.8662 3.0205 0.4311 1.8324 2.7158 2.9831 1.4348 3.9796 0.5943 3.7649 0.7670 1.5581 0.4431 0.5931 0.9230 5.7333 0.2147 2.4975 0.1650 0.5008 3.2047 0.4997 0.1661 0.3838 0.6969 3.0607 0.5087 0.5255 0.3022 0.6115 0.3970 1.1609 1.5673 1.8191 4.2760 0.8719 0.2635 0.5926 9.4652 1.1520 1.8584 0.1880 0.7974 2.4707 4.7452 1.0158 0.7764 0.3254 2.0663 0.5366 0.5899 0.3322 0.9433 0.5258 0.8237 0.8017 0.1809 4.1752 3.3193 1.4674 1.5991 0.6636 1.1677 1.1961 0.3378 0.7195 0.4474 1.6579 5.8593 0.7042 0.7189 0.9808 1.6961 1.6092 0.5991 0.9519 4.0842 0.6819 0.3733 0.9116 1.0943 1.1225 0.8945 1.6718 4.4799 1.7818 0.5366 7.1802 1.3394 1.5738 1.3694 3.3566 0.6145 3-hydroxybutyroylglycine** 1.2615 2.6084 1.3133 0.3761 0.3761 1.9279 0.5165 0.7118 0.6790 0.6646 1.4569 1.0247 0.7507 1.7424 0.3761 2.2249 0.3761 0.7771 0.3761 0.8047 0.3761 0.3761 0.3761 1.0889 0.9258 0.3761 1.2253 0.9555 0.6240 0.3761 0.9670 2.2225 1.0785 0.9030 0.3761 1.0000 0.3761 0.3761 0.3761 1.0412 0.3761 1.1664 1.1794 0.6709 0.6535 0.6768 0.9790 0.8027 0.3761 0.8637 2.0380 0.3761 0.3761 1.1270 0.3761 1.2899 0.6693 1.3497 1.6139 0.3761 0.5497 1.0156 1.1197 0.6847 0.3761 0.3761 0.3761 1.7318 0.3761 0.5184 0.7051 0.9703 1.3335 0.7528 0.3761 0.6732 1.9808 1.5536 1.1999 0.4312 0.3761 1.5227 2.2292 1.5835 0.5374 0.3761 0.8963 0.3761 0.3761 0.3761 1.0692 0.3761 0.3761 0.6647 0.3761 1.4221 0.3761 0.5629 0.3761 0.3761 1.2076 0.8685 0.3761 0.9010 0.3761 0.3761 0.9544 0.3761 0.3761 0.3761 1.2585 0.3761 0.3761 0.6865 1.1292 0.8291 0.3761 0.3761 0.3761 0.3761 0.4640 0.3761 1.2878 0.7974 0.3761 1.2430 0.3761 0.3761 1.5474 1.2511 0.3761 3-hydroxydecanoate 1.2876 1.5312 1.9693 0.5987 0.9845 0.9362 0.8830 0.9964 1.0442 1.1199 2.1380 0.9144 1.3213 1.4391 0.9876 1.7611 0.4599 1.2264 0.7678 1.0037 0.7551 1.4181 1.5311 1.6432 1.2790 0.9487 0.6977 0.9999 0.8811 1.3826 1.0478 0.4111 1.5315 0.8829 1.3825 1.1351 0.6522 0.8005 0.8530 0.8171 0.4808 1.3518 0.9001 1.5503 3.9769 0.9342 0.6573 2.4622 1.6674 0.7613 0.7129 0.3824 0.6420 0.9194 0.7988 0.9128 0.5857 0.8897 1.2209 0.7688 0.6092 1.0805 0.8343 1.6574 0.6760 0.6763 1.1959 1.1586 0.6574 1.4310 2.0099 1.0381 1.0269 0.6559 0.9728 0.5934 1.3272 0.8550 1.3037 0.4644 0.8205 1.5940 2.0978 0.7866 0.9286 0.4907 0.9422 1.0000 1.0801 0.4988 0.8446 0.7677 0.9434 1.2171 0.3173 1.5784 1.5737 1.1540 1.8179 0.8952 0.9305 4.2977 0.9918 1.0949 0.6744 2.8286 1.0831 1.0120 1.5488 1.5645 1.7083 1.1337 1.2094 1.5357 1.4001 1.0661 0.4680 1.6177 0.8029 1.0020 1.0013 1.7808 0.7964 1.0422 0.8569 2.2981 0.7924 0.8806 1.9460 1.0805 0.5246 3-hydroxydecanoylcarnitine 0.8856 1.3915 1.5281 0.9221 0.9006 0.8100 1.0546 0.8155 1.0000 1.0722 1.3344 0.8485 1.1950 0.7901 0.5995 1.9425 0.8555 1.3799 1.0909 0.9653 0.5744 1.5406 1.0028 0.8655 0.6772 0.9895 0.9767 0.5013 0.8313 1.0732 0.9547 0.6145 0.7088 0.8526 1.1510 1.4397 0.9130 1.2843 0.9304 0.8965 0.7296 1.4900 1.0584 1.7146 1.0401 0.7327 0.5942 1.0039 1.5908 0.7652 0.9111 0.3968 0.7107 0.9490 1.2428 1.1217 0.5634 1.1104 1.5949 0.5353 0.5834 1.8090 1.4437 2.9751 0.6902 0.6732 1.8443 1.4486 0.5985 0.8685 1.8584 1.5337 1.5135 0.5114 0.9689 1.0204 0.5313 1.4413 1.2791 0.4224 0.9800 1.1476 2.4422 0.9072 1.4409 0.9397 0.8615 1.2123 1.3552 0.7603 1.1849 1.0743 1.2659 1.4382 0.4230 1.4124 0.9228 0.4330 1.9583 1.8647 0.7608 0.8390 0.8980 1.9848 0.6776 1.9973 0.9469 0.9853 1.2772 1.3914 2.2974 1.0787 1.4678 1.4266 1.6915 1.2281 0.7516 0.9164 1.4945 0.6767 0.6591 0.6856 1.6052 1.7341 0.9154 1.5319 0.5789 2.0919 2.8432 1.1401 0.5236 3-hydroxydodecanedioate* 2.0396 2.2643 0.9197 0.3357 0.6257 0.8833 0.8031 1.2374 0.8543 0.7919 3.2561 0.3966 1.1784 1.5528 0.4156 2.2564 0.3357 0.6522 0.5061 0.6367 0.3357 0.7531 0.7486 1.8776 2.5579 0.4343 0.6828 1.4246 0.8250 1.6705 0.8989 0.3357 0.8894 1.2181 1.4171 1.2894 0.3357 0.3357 1.1582 0.9831 0.3357 1.1800 1.1100 1.2182 6.4984 1.0479 0.5185 21.7561 2.1665 0.9568 0.5413 0.3357 0.3357 1.6994 0.3357 0.6785 0.3357 1.0915 0.7725 0.3357 0.3357 0.3357 0.5840 2.1148 0.5678 0.4963 0.3614 0.8107 0.3357 0.6320 1.7368 1.0179 1.7487 0.3357 0.3357 0.3357 3.0161 0.4599 0.8671 0.3357 0.6468 1.0451 1.0664 1.2912 0.9961 0.6353 0.7705 1.1956 0.3357 0.3357 0.7286 0.3357 0.8478 0.3357 0.3357 2.8620 0.5855 1.2148 1.9780 0.6429 0.6140 3.7858 0.3357 1.0034 0.3357 1.4969 1.3915 0.5633 1.0227 1.0130 1.1439 0.8704 0.8619 1.9920 1.1322 0.9907 0.3357 0.6843 0.4613 0.4995 0.3357 3.1908 1.1975 1.4063 0.3357 3.6406 1.0000 1.0653 1.6027 0.8503 0.4859 3-hydroxyhexanoate 1.3200 2.0787 1.6104 0.6007 0.8941 0.6360 0.9473 1.1298 2.1550 1.4062 1.5671 0.7823 1.6688 1.8935 0.9514 1.3931 0.8294 1.2474 0.5816 0.7283 0.7217 1.5414 1.0253 1.3476 1.5858 0.5977 0.7994 1.3569 1.3993 0.8827 1.2250 0.4406 1.6897 1.1415 1.7587 1.4014 0.7572 0.6866 0.9273 1.0114 0.5217 1.3442 1.3024 1.4956 2.2152 1.1771 0.7311 3.3627 1.1732 0.9103 1.4854 0.4055 0.5220 1.8411 0.6677 0.6517 0.4312 0.6379 1.1340 0.3473 0.4228 0.6771 0.8742 1.1802 0.4842 0.6512 1.1918 0.9684 0.7592 1.2868 1.1275 1.0216 1.2527 0.8088 0.5383 0.7631 2.0069 0.7975 1.2723 0.3884 0.7153 1.0755 1.7085 0.7537 0.6149 0.6992 1.0819 0.7387 0.8388 0.5786 0.7405 1.0258 0.8168 0.9330 0.3656 1.8247 0.9618 1.0801 1.3486 0.9745 1.0100 2.1160 0.6032 1.2849 0.5462 1.3781 2.1510 0.8549 1.3497 0.8402 1.6516 1.2363 1.0973 1.1684 1.3456 1.3268 0.5257 0.9816 0.7238 0.7666 0.5744 0.9067 1.1437 1.6005 0.6034 1.5674 0.7202 1.0000 2.5099 1.6232 0.5933 3-hydroxyhexanoylcarnitine (1) 2.7245 1.7283 2.6203 0.8777 0.7213 1.4063 0.8683 1.7179 1.4674 0.9041 1.3494 1.0644 0.2161 1.6300 0.8673 0.5981 0.6815 0.6597 0.8590 0.5393 0.7799 0.4455 0.7691 1.4125 1.8834 0.1635 1.1942 1.2287 1.6914 1.0556 2.3220 0.6804 2.9837 1.2188 1.8479 0.9869 0.5101 0.1635 0.5932 1.3526 0.2998 1.8174 0.6555 1.6361 2.8720 1.0749 0.5729 1.9121 2.8482 0.5454 2.0485 0.4982 0.3287 2.1542 0.2799 0.4015 0.1635 0.7154 0.7605 0.1635 0.6169 0.6034 1.1425 0.5960 0.4303 0.4171 0.8587 1.3784 0.6403 0.6511 0.8051 1.4698 1.2422 0.9553 0.4238 0.8583 1.0131 0.7782 0.7244 0.1908 0.5171 0.8317 1.5240 1.2423 0.5678 0.9363 1.3125 0.5792 0.3818 0.4261 0.9402 0.7411 0.6004 0.8926 0.4878 2.3922 1.3123 1.1611 1.5755 0.7769 2.0102 1.3341 0.5415 1.2124 0.4795 1.3841 1.1205 1.1767 1.3516 1.1274 2.1260 1.1626 1.3864 1.1291 0.6253 1.1685 1.1130 0.7479 1.1353 1.2642 0.4692 1.0986 1.0164 1.0172 0.7029 1.5855 0.6197 1.4445 3.7684 1.7025 1.1057 3-hydroxyhippurate 2.2161 0.1043 0.2417 1.0731 3.7936 1.5603 1.1076 4.6699 0.3764 0.7165 0.3135 9.8812 0.3253 3.4674 0.2783 0.1445 1.0058 0.4345 5.1545 1.6560 3.8374 0.1043 1.0540 0.8170 0.1043 2.4767 0.9774 0.1043 2.0193 0.7813 1.2336 1.9732 1.5526 0.9930 0.7497 0.2833 0.5535 1.4512 1.0966 0.1084 0.2973 4.9353 0.1043 0.2743 0.3679 0.1089 0.7039 0.1153 1.0834 0.1415 0.1116 0.6008 0.6819 0.2469 1.6572 3.0459 2.3856 0.8059 0.9942 11.4215 4.5524 2.4306 2.5136 0.4139 0.3356 0.9547 5.3594 0.1989 0.6513 4.2936 0.4233 1.6227 0.3734 1.4156 0.5827 1.7160 0.1891 0.4178 6.0742 1.4229 0.6133 0.9796 0.1723 0.2524 0.8868 1.0093 0.5142 0.7308 1.1979 2.2049 0.5793 1.3607 0.4119 0.6901 0.9030 0.3637 8.8971 0.6377 0.1289 4.3448 2.2271 2.2001 3.4947 0.8343 14.4760 4.2789 2.9572 0.5312 1.6822 1.2189 2.9619 0.6139 4.1282 0.1043 3.2584 14.0772 4.6101 2.3673 1.3155 0.7821 0.1713 0.7956 0.6661 4.7620 5.0728 3.9809 0.4302 3.9876 14.0332 0.2398 2.7302 3-hydroxyisobutyrate 0.9145 0.3167 1.6303 0.9043 1.1619 0.6116 2.0309 1.2489 0.9783 1.3754 2.8106 0.6393 1.3580 0.3167 1.1196 2.0045 1.7878 2.3529 1.8280 0.7135 0.7197 2.5687 0.8951 1.4759 0.3167 0.6886 0.9698 2.6154 0.7966 2.3966 1.4800 0.6615 2.1424 2.5450 1.3368 1.2645 0.5373 1.1266 1.1046 2.1688 2.0234 1.0120 1.7947 2.7574 1.8055 1.0391 0.8661 1.2167 0.7858 0.9994 0.7957 1.6042 0.6354 0.3167 0.7475 0.8435 0.3750 0.5121 1.4711 0.5269 0.5849 0.6151 0.6638 1.1233 0.3794 0.6725 0.6914 0.4155 0.8587 0.8823 0.7772 0.5510 1.7948 0.7252 0.3167 1.0006 0.3167 0.7127 1.1579 0.4309 0.4959 1.5318 1.3176 0.9484 0.5679 0.5944 0.9911 0.7734 0.5978 0.7072 0.9063 0.9436 1.2213 1.4223 0.8368 1.9347 2.7540 0.9518 0.7263 1.1892 0.8677 1.8890 0.5913 0.9059 1.1477 0.8801 2.2352 1.7941 1.4130 1.0071 1.4073 1.6248 0.8323 1.4575 1.5236 0.7763 1.6232 1.8095 0.8804 1.4118 0.6704 1.0565 0.7914 0.9224 1.3722 3.1730 1.2734 1.4736 1.1144 0.9367 0.8101 3-hydroxylaurate 0.6936 1.5385 2.7959 0.8056 2.0014 0.6992 0.7874 0.6806 0.8754 0.9604 2.5917 0.8551 1.4690 1.6784 1.0011 2.2725 0.3625 1.0896 0.7671 1.1427 1.0430 1.7141 1.5781 1.2650 1.0591 1.0424 0.6372 0.7968 1.0000 1.2642 0.9258 0.3217 1.2574 1.1147 1.8179 0.9453 0.6145 0.5842 0.8424 0.7157 0.5595 1.3635 0.7911 1.3257 1.6271 1.3646 0.6182 1.4543 0.6077 0.7879 0.7796 0.3740 0.8211 0.8587 0.5364 0.8977 0.8896 0.8199 1.3230 0.8321 0.6190 1.1687 0.8226 1.3961 0.6461 0.9854 1.2720 1.2650 0.6941 1.4574 1.8519 1.0277 0.9583 0.6291 0.8637 0.4423 1.5246 0.8172 1.3833 0.3897 1.0952 1.5525 2.5950 0.7705 0.9749 0.5081 1.0102 1.0050 0.7995 0.4658 0.7691 0.6800 0.8066 1.5927 0.1269 1.8361 1.8957 0.7118 1.7789 0.8419 0.8175 1.2948 0.8751 1.3547 0.7011 1.7964 0.9647 1.1173 1.3369 1.7304 1.7409 1.1343 1.0358 1.6882 1.1179 1.5443 0.5594 1.8896 1.0002 1.4757 1.0368 1.3880 0.7369 0.7833 0.9277 2.2431 0.8716 1.1859 1.8790 1.1799 0.5463 3-hydroxymyristate 0.7445 1.3107 2.4819 0.4722 1.2756 0.7016 0.8822 0.9665 0.6946 1.1903 2.3673 0.9835 1.3263 1.3512 1.0770 1.9066 0.3545 1.1383 0.7149 1.1999 0.3545 1.4244 1.4089 1.4229 1.2166 1.2559 0.5207 0.9090 0.7178 1.0033 1.1890 0.3927 1.1987 0.8919 1.0037 0.8935 0.5393 0.5683 0.8562 0.6005 0.4893 1.2387 0.8719 1.2258 1.3299 1.2441 0.5738 1.7965 0.5234 0.7213 0.7336 0.3668 0.8283 0.8380 0.5292 1.0336 0.6870 0.7473 1.1769 0.7277 0.9048 1.1969 0.9296 1.6843 0.7915 0.3545 1.2313 1.1893 0.7720 1.3946 1.5699 1.0449 0.9988 0.3545 0.8779 0.5092 1.5273 0.7544 1.3125 0.4936 1.0030 1.4302 2.0078 0.7382 0.9407 0.5092 0.8770 0.9533 0.8753 0.5124 0.7947 0.6040 0.9874 1.0553 0.3545 1.4349 2.3082 0.9935 1.6205 1.1223 0.8006 1.0000 0.8631 1.4415 0.8553 1.2361 1.2871 0.8416 1.4098 1.1916 1.7233 1.1425 1.1328 1.6254 1.0654 0.8816 0.6973 2.0075 1.0424 0.9589 1.1427 1.3541 0.7824 0.9893 1.0192 2.0178 0.7247 1.3322 1.4989 1.2705 0.7267 3-hydroxyoctanoate 1.4668 1.2295 1.3404 0.6510 0.8855 0.7824 0.8318 1.7825 1.9243 1.4573 1.8484 0.8208 1.1604 1.6288 0.8961 1.4707 0.4675 1.0090 0.5171 0.7897 0.7807 1.3503 1.4751 2.0934 1.2881 0.7020 0.7864 1.0000 1.1258 1.2835 1.1851 0.3742 1.4922 0.8405 1.5020 1.0614 0.7046 0.9412 0.9448 0.8766 0.4533 1.4917 1.1775 1.2359 5.2651 0.8960 0.8897 5.2736 3.3068 0.7133 0.8524 0.5103 0.6328 1.2187 0.7850 0.8590 0.4543 0.7602 0.9753 0.5625 0.5603 0.9859 0.9047 1.4358 0.6306 0.5993 1.0286 1.0003 0.6801 1.1537 1.4846 0.9695 1.2521 0.9097 0.6470 0.7972 1.3211 0.8440 1.0586 0.5007 0.7440 1.3236 1.8161 0.9067 0.8106 0.7415 0.9156 0.9277 0.9750 0.4774 0.9183 1.0514 0.8197 1.1478 0.6548 1.7820 1.3075 1.5706 1.5319 1.0840 1.1557 6.3488 0.8125 1.0124 0.5501 3.5352 1.2653 1.0090 1.8982 1.1857 1.7112 0.9121 1.2107 1.1907 1.2352 1.1954 0.3942 1.2635 0.6760 0.8479 0.8391 1.9159 1.1155 1.1315 0.5760 2.1736 0.6442 0.8544 2.1014 1.1152 0.5519 3-hydroxyoleate* 1.0616 1.2540 1.7760 0.9903 1.7433 0.9077 1.0727 0.5607 0.9873 1.6999 1.9199 0.5266 0.8873 1.4006 0.6361 1.3686 0.1935 1.1149 0.8210 0.7194 1.0456 0.8162 1.2768 1.4281 0.5361 1.3782 0.7952 1.0779 1.0000 1.1549 0.9854 0.7006 1.0176 1.1148 1.1738 1.0597 0.7985 0.4292 0.9857 0.7854 0.1935 1.4158 0.9047 1.3933 1.1038 0.8924 1.1866 1.6588 0.3947 0.9599 1.0463 0.2352 0.7187 1.0386 0.7038 1.2140 0.6796 0.4116 1.1756 0.5283 0.8777 0.6350 0.9297 1.3737 0.5535 0.3844 0.5998 1.1363 0.8955 0.8057 0.8839 1.1110 0.9683 0.8757 1.2716 0.7787 1.2287 1.1640 1.5914 0.3124 1.3676 1.5202 1.2965 1.1423 1.0250 0.6637 1.1212 0.5554 0.7692 0.3452 1.0127 0.2152 0.5680 1.2638 0.1935 1.5900 1.6211 0.8361 1.4262 0.8738 0.5760 0.3824 1.0816 0.9832 0.9493 1.7888 0.6389 1.0136 1.3232 1.4577 1.5463 0.6990 1.4920 1.2203 0.8781 1.3273 0.4244 1.5517 1.2246 0.9362 0.9817 1.2446 0.7928 1.0695 1.2355 1.7804 1.2656 1.0294 0.9897 0.7060 0.3993 3-hydroxyoleoylcarnitine 1.9832 2.1761 2.1365 0.6116 0.6943 1.1314 1.1916 0.6105 0.8950 1.1612 2.6503 0.3813 1.1675 1.2392 0.6517 1.5726 0.2639 1.6434 1.0526 0.6207 0.6689 1.1345 1.2264 0.8427 1.8796 1.5385 0.8367 0.8095 0.9782 2.4145 1.4378 0.4425 1.3574 1.4182 1.6015 1.3433 0.7035 0.6966 1.0512 0.8806 0.2639 1.5923 1.5730 1.6975 2.1142 0.6977 0.6404 0.5963 1.0945 1.3246 1.0387 1.0247 0.7296 1.3429 0.4976 0.7097 0.3436 1.1321 1.0844 0.6024 0.5321 0.7081 0.7255 1.4134 0.6593 0.3906 0.5656 0.5687 0.3297 0.8340 1.0776 0.9507 2.1647 0.3192 0.4009 0.7061 0.9304 0.6229 0.8847 0.3553 0.7724 1.0749 1.6006 0.9759 0.4711 0.7380 1.3873 0.7392 0.7628 0.4034 0.4574 0.6963 0.6923 0.7252 0.2639 1.4055 1.0277 0.7834 1.6635 1.3804 0.9503 2.7933 0.5900 1.2034 0.7954 1.7245 1.2468 1.0028 1.5428 1.1069 1.0646 1.4205 1.0659 1.0293 0.8964 1.0000 0.5415 0.8638 1.0445 1.2285 0.4357 1.1311 1.2688 1.3664 0.6586 2.0959 0.7085 2.2778 2.5997 1.2771 0.3976 3-hydroxypyridine sulfate 1.8455 0.9345 0.0636 1.0350 1.2326 1.2998 2.0138 0.1661 1.2513 0.9001 1.1984 1.8871 0.2791 0.3462 2.8542 0.9689 0.3075 0.4087 2.9202 0.8735 1.9703 0.2103 0.0996 0.1590 0.0636 0.0636 0.2222 0.0719 0.1167 0.1111 0.0668 3.1281 3.2112 0.4521 0.1055 1.9205 3.2930 1.0001 0.1542 0.0742 0.3647 1.3029 0.0636 0.0636 0.8483 0.1477 0.2297 0.0974 1.0810 0.0636 0.2147 3.4262 1.0067 4.4935 4.0777 4.2484 1.6564 0.4388 24.5603 0.3682 0.6395 2.9542 2.6926 0.6419 2.6773 0.5928 0.6553 1.1088 0.5341 0.2163 2.6391 1.4725 0.1772 1.7928 1.8140 1.1392 0.2151 2.1556 3.4606 1.0130 0.9999 0.6506 5.1592 1.3226 2.3084 0.2132 1.5809 0.3950 4.9255 0.2484 2.6429 0.8185 2.2511 1.0462 2.3841 6.1088 0.9966 0.0636 7.5100 1.5987 0.4638 54.4654 2.3053 0.7190 1.7814 1.0172 1.5631 0.3765 0.0636 3.6655 1.8710 0.1988 3.2225 0.6364 2.7394 3.8362 0.2828 0.1888 0.6835 1.2324 0.6211 0.8617 0.7202 1.2111 0.2621 0.2337 0.7388 0.0863 4.4032 0.1202 0.3470 3-hydroxysebacate 2.9263 1.4493 0.8894 0.3545 0.3545 1.4545 0.7792 2.2121 1.1049 0.7937 2.6167 0.5244 1.0488 1.3156 0.3545 1.8484 0.3790 0.9853 0.3545 0.3545 0.3545 0.6213 0.7957 2.8925 2.0416 0.3545 0.8318 1.2362 1.0858 1.3280 1.0926 0.3545 0.7662 0.7267 1.8962 1.3414 0.3545 0.3545 1.2229 1.4818 0.3545 1.6391 0.5264 1.0468 10.1752 0.8264 0.9757 17.4419 6.2732 0.8468 0.6771 0.3545 0.3545 1.8410 0.3545 0.7039 0.3545 1.0598 0.6139 0.3545 0.3545 0.3545 0.3545 1.0631 0.3545 0.3545 0.3545 0.5174 0.3545 0.3545 1.7671 0.7198 1.1746 0.3545 0.3545 0.3545 3.1367 0.6467 0.7878 0.3545 0.5280 0.9759 1.0593 1.4749 0.5310 0.3545 0.8234 1.1101 0.3545 0.3545 0.6825 0.3545 0.6462 0.3545 0.3545 2.8024 0.6105 1.8537 2.0479 0.9688 0.6496 4.8695 0.3545 0.7494 0.3545 2.0627 1.3622 0.4723 1.0378 0.6683 0.8685 0.9041 0.6078 1.2199 1.0000 0.8785 0.3545 0.5871 0.6617 0.9087 0.3545 3.0641 1.8050 1.4785 0.3545 3.8529 0.6334 0.9468 1.2972 0.9961 0.4466 3-hydroxystachydrine* 0.4320 0.1084 0.1084 0.1084 0.1084 3.7508 0.1084 0.9676 3.1736 0.9226 0.1705 0.1084 0.1084 0.5252 5.5521 2.2658 0.1084 0.1982 0.1084 1.4148 0.1084 0.1499 0.1084 0.6695 0.4718 0.1084 0.5721 0.1084 0.1294 0.1084 0.3106 0.8924 0.1084 0.1084 0.1177 0.1364 0.3058 1.3449 2.1211 0.4220 0.2363 0.8150 0.1245 0.1084 2.3378 6.1362 4.5239 0.4709 0.1084 1.1510 3.6158 2.6999 0.3515 6.4604 1.4216 18.5026 0.1084 3.7540 0.2022 28.9847 0.3280 0.5362 0.1084 1.4028 0.5599 0.6814 0.1084 0.4637 0.7317 0.5496 0.1084 0.6542 1.6305 0.1084 1.8801 1.2890 0.6211 0.1084 0.1084 0.1084 0.1084 0.1084 0.1084 18.0181 0.7085 3.9441 0.4830 0.1084 25.3923 0.1084 0.6489 3.1991 5.9801 0.1084 0.1084 0.6771 0.1944 3.7886 2.3794 3.0730 0.1084 5.2135 0.1084 1.0000 3.8443 6.9996 5.0529 0.3863 4.6039 1.4447 7.8343 0.1084 4.4769 4.0575 0.2673 38.4975 5.1260 1.9323 1.0205 0.3265 0.3269 0.2088 0.3979 0.1084 0.5065 0.1084 0.1084 1.0989 5.4895 0.1084 0.1084 3-hydroxystearate 0.5355 0.3600 1.1613 1.1463 1.6995 0.3600 0.8543 1.0612 0.8873 0.3600 0.9301 1.0143 0.3600 0.3600 0.3600 1.0424 1.1130 0.3600 0.4763 1.0223 1.8857 0.4235 1.3147 1.1090 0.3600 0.5277 1.1240 0.3600 0.4065 0.8152 0.7503 0.6117 1.5465 0.8872 0.6185 0.8798 1.7193 1.3523 0.6709 0.3600 0.8230 0.3600 0.9285 1.3004 1.3545 0.3600 0.3600 1.2074 0.7742 0.3600 0.5939 0.6678 1.5315 0.6317 1.5659 0.7725 2.0331 0.6270 1.1094 0.3600 1.1404 1.0294 0.7511 1.5753 1.0460 1.2165 1.0081 1.2084 1.4094 1.4021 0.9611 0.3600 0.3600 1.5990 1.0100 1.2841 0.3600 0.8567 0.9880 0.6714 0.7185 1.3367 0.5952 0.5147 1.1597 0.9476 1.2938 2.3989 0.4796 0.8595 1.7409 1.1321 1.7508 1.7063 0.8745 1.2007 2.0429 0.9145 0.3600 0.3600 0.3600 0.9369 0.6322 0.8517 0.3606 1.4652 0.3600 0.3600 1.0246 0.7243 0.3600 0.3600 0.9919 1.1548 0.5000 0.7669 0.8393 1.7226 0.8866 0.8020 0.7994 1.3326 0.9755 0.6860 0.3600 0.9802 1.0161 1.0128 1.2336 0.3600 0.3600 3-indoxyl sulfate 1.2645 0.7713 0.8064 0.8946 1.2963 1.8778 1.4832 1.1829 1.1214 1.0827 0.7230 1.6696 0.5718 0.8418 2.7423 1.4973 2.0217 1.2175 1.3081 0.4441 1.6571 0.8479 1.0809 0.8605 0.5364 0.4514 0.9769 0.4517 0.5975 1.1095 1.4677 2.0220 1.4371 1.0395 1.1979 0.6965 1.5055 0.9411 2.3665 0.8264 0.8114 1.7539 0.6900 0.6127 2.0498 0.5935 1.0384 0.6176 3.4937 0.6609 0.8684 1.5455 0.8087 1.0249 1.8981 0.6773 1.0047 0.3843 0.7007 0.9176 1.0557 1.2958 1.2216 1.3601 1.3754 1.0749 1.3524 0.4539 0.8777 1.1817 0.6965 0.6734 1.1250 1.5951 0.6242 0.9426 0.4995 1.1699 1.0800 0.7136 0.8412 0.8045 0.6455 0.8363 1.5403 0.4967 1.5790 1.6134 0.5415 2.0485 1.5103 1.4774 1.2034 0.9660 1.4364 1.5902 0.6248 0.8964 0.9004 0.2562 1.8172 1.3686 0.7570 0.8013 1.4429 1.0216 1.1473 1.8842 1.3371 0.7866 0.3385 0.5132 0.9908 0.2054 1.1348 0.7178 2.1833 1.0000 0.8394 0.8157 0.4844 1.1195 1.3816 0.5292 0.8328 0.6695 0.6044 1.1722 0.8789 1.4073 0.2384 3-methoxycatechol sulfate (1) 1.3026 1.9610 1.4049 1.2408 1.2592 2.0157 8.4681 1.4870 0.1532 1.4511 0.1129 1.5703 0.1110 1.1102 1.4968 0.1110 1.3630 0.3972 1.6183 9.5121 0.9822 0.1110 1.3709 0.1330 0.4259 0.9997 0.4109 0.2726 0.2421 0.2796 8.1942 4.3510 2.7103 3.0532 1.5350 0.1110 0.3864 0.4735 23.0167 0.1110 1.1843 0.1110 0.1110 0.1110 0.6824 0.1110 0.8669 0.1980 2.2193 0.6337 0.1852 0.9997 0.3783 0.5375 1.6529 1.2618 2.7688 7.3459 1.3252 8.5619 0.8959 0.5485 2.8226 6.3343 0.4557 0.6196 83.9074 2.0040 2.3934 0.1949 0.9063 5.1730 1.1634 1.1741 0.1616 3.8872 0.3932 1.0390 0.9825 0.5448 3.4998 0.4469 0.4392 0.2254 4.3046 0.5541 0.7695 5.3041 0.5455 19.8200 0.6612 1.0252 0.6609 10.3751 2.6322 0.6947 1.0003 0.1644 0.6185 2.3163 30.7902 6.7354 0.8364 0.9381 0.5555 0.6000 0.1591 1.1992 12.1131 0.5106 2.5562 0.2641 1.5933 0.2610 0.2233 45.7485 4.7423 4.3056 0.5083 0.1437 0.1346 0.4897 0.8378 0.7677 1.3056 1.1384 0.3554 0.4754 0.7772 0.1110 1.7482 3-methoxycatechol sulfate (2) 0.6443 3.4289 0.4154 1.7680 0.3189 1.2685 0.3189 0.7678 0.3189 1.5718 0.3189 2.5974 0.3189 0.3189 0.9236 0.3189 0.9451 0.3189 1.2533 0.6716 0.6344 0.3189 1.2051 0.3189 0.3189 0.3189 0.9158 0.3189 0.3189 0.3189 0.3464 2.2435 0.7703 0.3189 0.4074 0.3189 0.4243 0.5488 1.6418 0.3189 0.8895 0.3189 0.3189 0.3189 1.7972 0.3189 1.3716 0.5000 6.3901 0.3189 0.3189 0.4149 1.6500 0.4462 1.4028 0.4238 2.5685 0.3189 0.7941 0.3189 4.0712 1.0319 0.8023 0.9013 0.3189 1.6286 6.4864 1.0039 1.5612 1.0000 0.3189 1.0871 0.3189 1.9823 0.3189 1.4099 0.3189 1.3758 0.3189 1.5529 1.3548 0.3189 0.7301 0.3189 3.1607 1.1127 0.4359 0.8350 1.1706 1.7370 0.3189 2.2560 0.8772 1.2121 1.3261 0.9543 0.3189 0.3189 0.6960 0.9657 2.5781 5.3882 0.6980 0.7388 0.3189 1.2599 0.4724 1.6959 0.3189 0.8809 0.3189 0.3189 0.9184 0.3189 0.3189 3.3976 1.6807 0.3189 0.3189 0.5757 0.6037 0.3189 0.6863 0.5628 0.7379 1.2489 0.6290 0.5243 0.8623 0.3189 1.2007 3-methoxytyramine sulfate 0.6898 0.7959 1.1052 0.6898 0.6898 1.0592 0.6898 1.0618 0.6898 0.7689 0.6898 0.6898 0.6898 0.7431 0.6898 0.6898 0.6898 0.6898 1.2131 0.6898 0.9327 0.6898 0.6898 28.1816 0.6898 0.6898 0.9658 0.6898 0.6898 0.6898 0.6898 1.3771 1.1344 0.6898 0.6898 0.9602 0.6898 0.6898 0.6898 0.6898 0.6898 0.9214 0.6898 0.6898 1.1660 1.2149 0.6898 0.8397 1.1177 0.6898 0.9350 0.9361 0.6898 0.6898 0.6898 0.9168 1.2519 0.6898 1.1508 0.6898 0.9102 0.7486 0.6898 0.6898 0.6898 0.6898 0.8546 0.9001 0.6898 0.7889 0.6898 0.6898 0.6898 0.6898 0.8512 0.6898 1.2258 0.8437 1.1041 0.9987 0.6898 0.8886 1.1605 0.6898 0.6898 0.6898 1.1534 0.6898 1.3121 1.0013 0.6898 0.6898 0.6898 0.6898 0.6898 0.8205 0.6898 0.6898 1.5027 1.0241 0.6898 1.2170 0.6898 0.6898 0.6898 0.9391 0.6898 0.6898 0.8635 1.2281 0.6898 0.6898 0.9823 0.6898 0.6898 2.2260 1.0772 0.6898 0.6898 0.6898 0.6898 0.7826 0.6898 1.1957 0.6898 0.9444 1.0117 1.0615 0.9257 0.6898 1.2172 3-methoxytyrosine 1.1812 1.9585 0.7485 1.0616 1.3242 0.9768 0.7077 0.8387 0.6851 0.6492 1.0440 0.9794 0.9009 1.2815 0.5418 1.0765 1.4775 0.8823 0.6876 1.3620 1.0884 1.0288 0.9490 39.6737 2.2233 1.0407 1.5697 1.0931 0.8124 1.1294 0.7828 1.5975 0.6156 0.6953 1.0993 1.4296 1.0275 0.8587 0.8250 1.4549 0.5937 1.3408 1.4132 1.0320 0.5282 0.6996 0.6378 0.7447 0.9454 1.0259 1.5715 0.4488 0.8915 0.9368 0.4734 0.8596 0.9125 0.7714 1.2107 1.1199 1.2727 1.3028 0.5649 0.4637 0.7139 0.4604 0.9992 0.9546 0.2288 1.4619 0.8051 1.1544 0.9587 0.9312 1.0237 1.1158 0.8689 1.0418 0.8765 1.2960 0.7957 1.0000 1.0145 1.4855 1.3312 1.7582 0.9477 1.0449 1.0822 1.3152 0.8029 1.2549 0.9730 0.8427 1.3565 1.0296 0.6774 0.8769 1.6563 1.9411 1.2694 0.8054 1.4265 1.0608 0.7505 1.2218 1.0391 1.1825 0.9116 1.1147 0.6646 1.3180 0.9761 0.8876 0.7901 2.1129 0.6557 0.7625 0.9051 0.9635 1.3538 0.9658 0.8125 1.0973 1.0911 1.1892 0.8843 0.8557 1.9948 1.2131 1.6171 3-methyl catechol sulfate (1) 1.6488 0.7229 0.1523 4.9906 0.9552 1.2745 2.9475 0.2836 0.7438 9.8528 1.3504 1.0295 0.1523 0.6668 18.5640 0.8298 1.1382 0.2656 3.8373 0.7731 0.7688 0.1523 0.1523 0.1731 0.1523 0.1523 4.8037 0.1523 0.1523 0.3165 0.2834 6.6569 9.0083 1.1030 0.1523 0.4236 5.5011 1.0084 0.7008 0.2175 0.2060 0.9321 0.1523 0.1523 0.4878 0.1590 0.5106 0.5158 8.0904 0.8041 0.4949 1.8207 0.9916 6.1231 6.5270 3.1740 1.3391 0.4120 6.8176 0.1523 3.0242 3.5233 2.0243 2.3267 7.1358 0.5915 1.5969 1.0084 0.7781 0.3655 0.9345 0.5349 0.2753 1.0660 0.7847 1.2041 1.6240 3.3154 2.3336 0.5902 1.1687 0.4028 5.3994 0.6961 3.4290 0.8070 0.8139 0.5093 3.2109 0.5874 6.0684 0.8800 1.7285 0.9196 3.2810 7.8341 1.0157 0.2179 9.6068 0.5197 0.9686 30.9685 1.1709 0.7292 2.5073 3.8556 0.6613 1.2332 0.1523 3.0032 0.8562 0.2575 4.3971 0.5632 1.6510 6.0316 2.8125 0.1733 0.2760 0.3998 0.3395 0.5666 1.4213 1.5508 0.3834 0.1523 0.4015 3.4698 4.6647 0.2570 0.4890 3-methyl-2-oxobutyrate 0.6450 0.9263 1.4243 1.1619 1.0327 0.7067 1.0582 1.1093 0.7794 1.3040 1.2019 0.9899 1.0000 0.9875 1.2985 1.3183 0.7910 1.1987 1.0659 0.9707 1.2120 1.3619 1.0003 1.1110 1.3096 0.9802 0.7597 1.3539 1.1365 1.2947 1.2053 0.7966 1.2854 1.2803 1.3583 1.0371 0.6510 0.9930 1.1465 1.1055 0.9836 1.3089 1.1808 1.5562 1.1842 1.4094 0.8470 1.2640 0.8707 1.1514 0.8378 0.8417 0.6045 0.5022 1.2587 0.9664 0.8025 0.5599 0.9007 0.7347 0.9660 0.7788 0.9044 1.0711 0.7196 0.8404 1.0814 0.8510 0.9737 0.8705 0.6468 0.6756 0.8284 0.8607 0.9660 1.0342 0.5945 0.7845 0.8610 0.6454 0.9275 1.1418 1.3324 0.8685 0.6495 0.8774 0.8947 0.9535 0.8136 0.8762 0.9466 0.8226 1.2589 0.8832 0.7497 1.2370 1.3639 1.2104 1.2742 0.9889 0.9517 0.9865 0.9362 0.8513 1.0894 1.2585 1.2908 1.0857 1.5084 1.0861 1.1500 1.4044 0.9048 1.3313 1.4291 0.8128 1.4878 1.5202 1.1126 1.2181 0.9555 1.2223 0.8407 1.0214 0.9634 1.3679 1.1439 1.0787 0.8535 1.2884 1.0836 3-methyl-2-oxovalerate 0.5771 1.0046 1.5159 1.2504 1.1671 0.8513 0.9449 1.2912 0.7150 1.2305 1.1011 0.9554 0.8869 0.8559 1.2731 1.1135 1.2538 1.6177 0.9896 0.8952 1.3081 1.7102 1.0000 1.0749 1.3929 0.8295 0.9312 1.1554 1.4984 1.7203 1.1879 0.7286 1.3681 1.3326 1.3959 1.1041 0.8369 1.3044 0.9939 1.3024 1.1914 1.3456 1.4484 1.7418 1.8060 1.6661 0.9193 1.7210 1.0719 1.1329 0.9617 1.0970 0.5481 0.6581 0.9878 0.9123 0.8789 0.6079 0.7802 0.7668 0.9007 0.6344 0.9834 1.1519 0.7404 0.8088 1.1866 0.7052 0.9958 0.8905 0.6497 0.5381 0.8098 0.9867 0.7648 1.3089 0.6952 0.9882 0.7365 0.5253 0.8217 1.0030 1.7280 0.7963 0.7799 0.9595 0.9215 1.1418 0.9220 0.8488 0.8199 0.9574 1.2193 0.9706 0.7763 1.0695 1.2788 1.0368 1.2302 0.9867 0.9372 1.4313 0.8291 0.7635 1.0385 1.4077 1.2697 0.9541 1.7884 1.1473 0.9697 1.1925 0.9040 1.1394 1.5745 0.7520 1.5029 1.5343 1.1032 1.2206 0.8397 1.0678 1.0145 1.1255 0.8124 1.4699 0.8391 0.8544 0.6056 1.1075 1.0560 3-methyladipate 0.3362 1.0065 0.8568 0.3309 0.3309 0.8001 0.7675 2.9753 1.3172 0.8392 0.8715 1.5418 0.3309 0.3309 1.5331 1.2681 1.2464 0.3309 0.5551 0.9465 0.3309 0.3309 0.3424 0.8952 0.3309 0.5911 1.5465 0.5221 0.3309 0.3309 1.8210 0.8211 0.3309 0.5680 0.3309 2.4562 0.5263 1.0314 0.8774 0.3309 0.3309 0.6140 0.5464 0.7005 1.3848 0.4048 1.1094 1.9738 2.3461 0.7267 1.8313 0.7037 0.4832 0.7692 3.3888 1.1911 0.6709 1.8739 1.5433 0.8457 1.2115 0.6457 3.9459 0.4921 1.3528 0.7815 1.3752 0.8695 0.3309 0.6806 0.9079 0.9522 0.7264 0.7504 0.3309 0.9271 1.3073 1.3783 1.6595 0.7855 1.8345 0.9482 1.5440 1.0250 0.8054 1.0238 2.0187 1.3123 2.0004 0.5042 1.0853 0.6469 0.8087 0.3309 2.3686 1.6621 0.3309 0.3309 0.7385 1.0454 0.3309 1.9115 0.3309 1.0148 2.1756 0.8298 1.4652 1.3443 1.0450 2.8041 2.0285 1.2586 1.0000 1.0365 2.6078 1.2284 0.8855 0.7307 0.9621 0.7457 0.3309 0.7798 1.6081 1.0366 0.6734 1.0826 0.9955 0.3309 2.5307 0.9957 0.5728 3-methylcytidine 0.8535 0.9731 0.9501 0.3672 0.3672 2.3763 1.0659 1.1418 0.3672 0.3672 1.2789 1.4526 0.3672 1.1003 0.3672 1.0074 0.9039 0.3672 0.4964 0.6650 0.3672 0.3672 0.6728 0.6858 0.5994 1.6707 1.0322 0.7546 0.3672 1.9577 1.2970 0.3672 0.3672 1.0648 0.3672 0.9675 0.3672 0.9540 1.2130 1.0397 1.1599 0.9926 0.3672 0.8736 0.5230 0.8563 0.3672 0.8915 0.3672 1.0702 0.8037 1.0519 0.3672 0.7430 0.9358 0.9445 0.3672 0.5531 0.6581 0.6628 2.6896 0.5412 0.8411 0.6414 0.9257 0.3672 0.3672 0.7217 0.3672 0.6508 1.0954 0.3672 0.7414 0.3672 0.3672 0.5715 0.3672 0.6995 1.3147 1.1205 0.4572 0.3672 0.8332 0.3672 0.3672 0.4781 0.3672 0.9623 2.4060 0.7170 1.3099 0.3672 0.8863 0.9293 0.6366 1.0338 0.8317 1.1844 0.9560 1.6282 0.5440 1.0874 1.0219 1.1145 1.1551 1.3840 0.6816 1.3684 2.1300 1.1639 1.1583 0.3672 1.4187 1.8479 1.5668 0.3672 2.1759 1.2854 0.9183 0.3672 1.4228 1.5761 2.7586 2.3997 1.4159 1.9128 1.3811 0.7472 1.1826 1.4936 0.9086 3-methylglutaconate 0.5876 0.8409 2.0479 0.8509 1.0285 1.9593 1.0052 0.9247 0.7538 0.6933 1.7628 1.8695 1.4783 1.0407 1.0000 1.9351 1.1789 1.0028 2.3495 0.7919 0.8893 0.6186 1.5995 1.1015 0.7912 0.6564 1.5687 0.7700 0.8580 1.1295 0.9852 4.7768 13.3966 1.2695 1.4052 1.0789 0.5860 0.6213 0.7615 0.9963 1.1657 1.1721 1.2019 0.8682 1.0992 0.9177 4.2865 0.5719 2.5162 1.1337 1.8960 1.1395 1.6584 0.7978 2.5283 0.7545 1.2001 0.6748 1.1536 1.2269 0.7324 0.6530 0.7399 0.5654 0.5290 1.0336 0.6148 0.9960 0.5141 2.2885 1.1808 0.6232 1.4612 0.6406 0.5531 1.0982 4.1476 1.3185 1.2492 0.7222 0.5206 0.9124 1.1140 1.2772 0.5660 0.8371 1.0361 0.8026 0.6467 1.0328 1.0281 2.5387 1.0291 0.6722 1.1279 0.8751 0.5056 0.9623 1.0210 0.6780 1.0384 2.9453 0.8680 1.0042 0.6705 0.6786 0.5964 0.5876 1.0886 1.0306 0.7470 0.7428 0.7809 0.6014 1.1211 1.0619 10.8146 1.1881 0.7032 1.2528 0.9942 0.8792 1.0746 1.3346 0.5684 0.9130 0.9549 0.7145 0.8966 1.2317 0.5556 3-methylglutarate/2-methylglutarate 0.9511 0.5040 1.1485 0.9794 2.0835 1.3452 0.5672 1.1610 1.0643 0.5469 1.4793 1.2939 0.6672 1.1467 1.1281 0.6004 0.8493 1.2318 0.4065 0.5424 0.9759 0.8002 0.7082 0.7383 1.3041 0.8637 1.2191 0.8778 0.9612 1.3305 1.0170 2.0781 5.2156 0.9330 1.2028 0.9752 0.9206 0.7131 0.3903 0.9186 0.8574 1.3893 0.9718 0.5587 1.5837 0.9937 3.2548 0.5540 2.8385 1.0292 1.6913 0.1898 0.9531 0.7435 1.9034 1.4543 0.9614 2.0250 1.9408 1.2758 0.3992 0.6765 0.5141 0.7740 0.9006 1.3655 1.0063 0.7502 0.7617 1.5756 1.2138 0.8558 1.4181 0.7209 0.8141 0.8069 3.7213 1.5016 1.2401 1.0881 1.1785 1.1289 1.3478 1.5059 0.5370 0.9343 0.5480 1.2078 0.7452 0.9962 0.9163 1.8612 0.7802 0.7080 0.9745 1.6143 0.9711 0.6175 1.7667 1.2071 1.0344 2.2950 0.6931 1.1268 0.7006 1.2256 0.7820 0.6913 1.3687 1.0174 0.8984 0.8921 1.0879 0.5833 2.2934 2.4504 5.3491 0.5484 1.3363 1.0540 1.0408 0.9325 1.4816 1.2801 0.4393 1.3826 1.0954 0.7998 1.5702 1.7064 1.0000 3-methylglutarylcarnitine (2) 0.3714 0.2823 2.5807 0.2535 1.0753 2.4298 0.8162 0.5183 0.3629 0.7444 1.5311 2.3861 1.1901 1.0344 1.1485 2.1068 0.5699 0.6333 5.8555 0.5305 0.5994 0.6311 1.5671 0.6607 0.2442 0.8806 1.8963 0.6484 0.5698 0.6235 1.4933 8.6295 14.0143 1.0911 1.4635 1.5567 1.0100 0.6780 0.4234 0.2077 0.8980 0.9353 1.7556 0.5745 1.3628 0.4134 5.8220 0.1041 6.6889 1.0401 2.3797 0.6270 2.0323 0.2303 2.1358 0.4251 1.8144 1.0919 2.8256 0.6822 0.7678 0.5192 0.6031 0.4182 0.4126 0.6598 0.4954 0.5732 0.2960 3.2572 1.2568 0.5841 1.8310 0.0985 1.0107 0.4855 2.9877 1.2980 1.5414 1.8030 0.3721 0.4312 1.6169 1.4842 0.3193 0.8225 0.3957 1.1018 0.6444 1.4159 0.9671 3.0201 0.4115 0.1304 1.0070 1.4158 0.3048 0.8406 1.9229 1.1491 0.7238 5.4115 1.2346 2.5144 1.0022 0.6771 0.6507 0.8061 1.7574 1.4615 0.4677 0.8008 1.0364 0.6587 1.6911 2.8693 13.7242 0.9001 0.9549 1.4573 0.8824 1.2631 1.3089 2.1269 1.0000 0.3984 1.3552 1.0309 2.2024 1.2290 0.5098 3-methylhistidine 0.1590 0.5418 0.2754 2.1696 1.0603 2.3649 0.4779 2.5031 0.0736 2.4080 0.0887 0.5452 0.0970 0.0846 2.1950 0.0977 4.3665 0.0647 5.3910 1.2421 0.4082 0.0778 0.5938 0.5278 0.2934 0.7870 3.0927 0.8580 0.0599 0.2844 2.7112 0.8236 1.0000 0.0649 0.1285 0.2427 1.1418 2.2745 1.3925 0.6765 0.6801 0.1988 0.0999 0.1146 5.5131 0.0637 3.6784 4.2891 8.4406 1.1983 1.4244 0.2308 3.4546 2.4469 2.4938 0.5482 0.5750 0.1896 0.4915 0.0480 2.7268 2.8868 0.0903 1.3518 0.9798 3.0829 2.2484 0.1056 0.8187 0.3053 2.6405 2.4869 2.2955 0.7211 0.0700 3.1774 2.3954 0.7970 3.9881 0.1177 3.3561 4.6982 2.2543 0.4778 0.1751 0.6651 2.7649 2.1649 0.0611 1.4203 5.9340 0.8609 2.3482 0.0493 8.4958 1.9551 2.1282 2.6836 0.2417 1.0866 1.0036 2.7464 0.8340 0.1644 1.1381 0.7778 4.4345 1.2637 0.4843 1.3319 0.8918 2.1793 0.4056 0.3239 6.2840 0.5975 5.4761 2.8134 0.9941 1.9458 3.3359 0.2877 3.3855 9.3292 1.6797 4.6108 4.0099 2.2427 0.4487 0.0788 0.0754 3-methylxanthine 2.8995 0.8528 1.0590 0.0820 0.0799 4.4579 2.7129 1.0873 5.4705 1.3959 1.7774 0.4391 3.5486 4.1422 0.3798 2.2450 0.0799 0.6661 0.5945 1.2375 2.3285 0.4044 0.7977 0.6353 0.5213 1.3864 0.1429 0.4223 0.1990 0.2416 0.3910 2.2251 1.1709 1.8921 0.9345 1.5342 2.9675 0.4035 1.5023 0.0799 0.2336 0.6063 1.2923 1.7327 2.4414 1.7322 0.7984 0.0799 1.3918 0.7704 3.9445 4.5586 2.4504 1.7562 3.4779 2.5604 3.6560 1.5640 1.8265 0.5226 1.1762 4.2061 3.8933 0.9052 1.5660 1.1384 1.5273 0.9655 0.4483 0.3882 3.5699 0.5297 1.5630 0.8620 1.0982 0.5870 3.0143 1.6603 3.4880 5.4138 2.4107 1.2099 1.8613 0.7524 2.2829 0.7170 0.7470 0.6561 1.9812 4.1435 5.3050 0.5135 1.2425 0.5528 6.3011 1.0000 0.1580 0.0799 0.3849 0.8155 0.7105 0.6836 2.7361 0.6020 0.6334 0.5574 0.3477 0.7582 0.3788 0.6953 0.3524 0.0799 2.1335 0.7357 0.7048 1.3702 1.2260 0.1471 0.1187 0.7890 0.0799 0.4418 0.0877 0.4459 0.1605 0.1920 0.3201 0.5908 0.9271 2.3992 2.6131 3-phenylpropionate (hydrocinnamate) 0.2988 0.1601 0.1601 0.7861 0.1735 1.1963 2.5550 0.1601 1.0477 0.8664 0.2995 0.1601 0.5861 0.1601 1.7120 0.5500 0.1601 0.1601 0.1601 0.1603 0.9909 0.7418 1.6021 0.3803 0.2364 0.1601 0.5346 0.2217 0.1601 0.3670 0.1601 2.7422 0.1601 0.1601 0.1601 0.3504 0.9322 0.3847 0.3698 0.2609 0.1601 0.1601 0.2255 0.4016 0.8917 0.5705 1.0000 0.1601 0.5292 0.1601 1.0245 1.6743 2.4214 1.9201 5.3410 5.6801 1.3522 0.1601 2.1515 0.1601 0.1635 1.8827 2.1601 0.5865 1.5000 2.1024 5.8181 1.8224 1.7099 5.5355 1.1203 0.2829 1.1875 5.4062 0.7369 4.7446 0.8593 2.5792 2.0487 2.8938 1.9238 0.7250 2.1919 0.9394 2.3323 1.6756 2.0484 0.7214 6.1370 2.7764 1.0633 6.3743 3.3434 1.2803 1.6394 0.6521 0.1754 0.4431 0.5084 0.1601 0.1752 1.8700 1.5164 1.5529 0.1601 0.6605 0.3916 0.7888 3.0780 1.7466 0.7388 0.7488 2.8613 0.1601 0.2842 0.1601 0.2356 0.1773 0.9707 2.0304 1.5326 0.8931 0.7606 0.1601 3.2131 1.2052 0.6690 0.1601 0.1601 0.9742 2.1022 3-phosphoglycerate 0.5685 0.4359 0.6087 0.2237 0.1314 0.3837 0.2537 1.3409 0.2747 0.4338 0.5237 0.7073 0.8467 4.1169 0.6305 6.7343 0.4157 1.1953 0.4198 6.2560 1.1450 1.4018 7.8777 1.6623 1.7689 4.4078 0.6762 1.4980 0.9817 2.8691 1.0503 1.6632 2.9139 2.1941 1.2230 0.8422 1.6079 1.7420 1.5231 1.6758 2.8054 2.3888 2.5199 1.5310 0.9207 0.9611 1.1043 1.8206 1.4864 1.8907 1.0706 1.2722 1.0094 0.3590 1.1010 0.5504 0.8703 0.1933 0.6098 1.7415 4.1368 1.4395 1.1033 0.3948 1.0220 0.6428 0.5449 0.6238 0.4026 0.7885 1.0915 3.3927 0.6663 1.6265 0.8006 1.8301 1.5669 1.8771 1.0212 1.9055 1.9737 0.6635 1.4408 1.0328 0.3875 1.2480 0.9962 2.2965 0.5591 1.5358 0.1531 0.3903 0.8341 0.2474 0.6603 0.1314 0.2292 0.8837 1.6999 1.1627 3.4801 0.6611 1.0000 0.1314 0.2984 0.4270 0.1314 0.7966 2.6252 0.4562 1.8225 2.8388 0.9673 1.0657 0.4077 0.1887 0.6858 0.5639 0.3402 1.4799 0.2223 2.3931 0.7054 0.2890 0.1314 0.5723 0.3742 0.5583 0.1630 0.4257 1.7882 3-sulfo-L-alanine 0.5861 1.0113 1.6052 0.8950 11.8315 0.2668 0.5593 0.2668 1.2566 0.2668 0.2668 0.9674 0.6606 0.2668 2.0183 0.2668 0.8964 1.0380 0.2668 0.2668 1.4213 0.2668 0.2668 0.2668 1.2825 0.2668 2.0574 0.2668 1.1586 1.7318 0.8981 0.2668 1.1081 0.2668 0.6031 0.8002 1.6279 0.2668 0.6027 0.2668 0.2668 0.9280 0.2668 0.6470 1.7342 0.2668 1.6522 0.8574 0.2668 0.5833 0.2668 0.8730 0.6639 0.5604 1.8335 1.3286 1.1727 1.0403 0.2668 0.2668 0.2668 0.2668 0.2668 0.6164 0.6107 1.4740 1.1062 0.2668 1.3914 0.7616 0.2668 0.2668 0.7485 0.2668 0.9284 0.9652 0.5264 0.8251 1.5528 1.2812 1.2425 0.2668 2.1453 1.9310 0.2668 0.2668 0.5836 2.2003 1.1738 2.3959 2.5464 0.2668 1.1520 0.2668 1.1591 1.5656 0.8592 0.9554 0.9969 0.7499 1.1069 1.2180 0.9821 0.2668 0.2668 0.2668 0.7260 0.2668 0.2668 0.2668 0.2668 0.9077 1.0268 0.2668 0.2668 1.3696 0.7419 0.4615 1.0031 0.2668 0.8787 0.8449 0.2668 0.4830 0.7294 1.2504 0.7572 0.9511 1.0145 0.2668 1.0458 3-ureidopropionate 0.2780 0.7601 0.2780 1.0592 1.6580 0.7625 1.1375 1.6852 0.8683 0.7835 1.3513 0.8540 1.0214 0.7601 0.9839 1.1106 1.7902 1.7802 1.2073 0.9192 1.2252 1.4489 0.8506 0.7044 0.8939 0.9350 1.2470 1.3317 1.4614 1.4848 0.5675 0.6703 0.8487 1.3191 1.5804 1.5614 0.6221 1.3153 1.1204 1.3425 0.5581 1.0088 0.8980 1.7440 0.7764 1.6654 0.7954 0.6983 1.8412 1.3859 0.2780 0.9936 0.2913 0.6571 0.6005 1.1218 0.8523 0.7986 0.8904 1.1623 0.5945 0.6721 0.6551 2.6873 1.0689 0.8843 1.2785 0.4619 0.3928 0.7901 0.6741 0.2780 1.5877 1.1910 0.4895 1.2693 0.5577 0.9518 1.2904 0.6392 0.9736 0.7118 0.7507 0.8463 1.0506 1.3173 0.7215 0.7417 1.1803 0.7876 0.6764 0.9144 1.2112 0.9314 0.9692 1.2601 0.8733 1.0840 0.6628 1.1464 1.4478 1.2605 0.8874 0.8693 1.1726 1.5915 1.5089 1.2019 1.3256 1.3700 0.7520 0.8628 1.1068 0.7948 1.0064 2.8023 1.2432 2.4378 1.0679 0.7533 1.0973 0.9136 1.2467 1.5294 1.0291 2.0367 1.0307 1.1936 0.7349 0.8378 0.8623 3b-hydroxy-5-cholenoic acid 0.5364 1.0060 0.5364 0.5364 0.8821 0.5364 0.5364 0.5364 1.6409 0.5364 1.3868 0.7045 1.1586 0.5364 0.5364 1.0288 0.5364 1.0475 0.5364 0.5364 0.7310 1.4691 0.5364 0.5364 0.5364 0.7581 0.5532 0.5364 0.5364 0.5364 0.5364 0.5364 0.5364 0.5364 0.5364 0.5364 0.7096 1.3432 0.5364 0.7295 0.5364 1.0991 0.7918 1.0762 0.5364 0.8726 0.8941 0.6703 0.5364 0.5364 1.6925 0.7481 0.5364 0.5364 0.9546 0.9901 1.0578 0.5364 0.5364 5.5055 1.2666 0.5364 0.7051 0.6439 4.9511 0.5364 1.2405 0.9564 0.7283 0.5364 0.5364 7.2780 0.5364 0.9328 0.6217 1.6089 0.5364 0.7492 2.0065 0.5364 1.4121 0.9959 0.6906 0.9611 0.5364 0.8604 0.5364 2.2349 0.6911 1.1391 1.9627 1.0041 1.6267 0.6158 1.1604 0.8905 1.8680 0.5364 3.9218 1.5522 0.7761 0.5364 0.5364 0.5364 0.5364 2.3962 0.7629 0.7118 0.5364 1.8289 0.5364 0.8418 0.9275 0.5364 2.3345 0.7344 0.5364 0.5364 0.5364 1.2678 0.5364 2.3130 1.6278 0.9434 0.6699 0.5364 1.9943 0.5364 1.9612 0.6912 1.4646 3beta,7alpha-dihydroxy-5-cholestenoate 0.8970 0.8954 1.8829 1.0000 1.5787 0.9462 1.0194 2.1464 0.4817 1.2409 0.8995 1.2000 0.8746 1.1322 0.5738 0.8375 1.5772 1.2693 0.8680 1.3238 1.2636 1.5906 0.9262 1.0520 2.0858 0.9456 1.0505 0.7935 0.6748 0.9023 1.0862 1.0318 1.3735 0.8891 1.4768 1.1049 0.6280 2.0343 0.8637 1.3878 2.9335 1.3427 1.5586 1.8541 1.0710 0.7660 0.8201 4.9712 1.3530 0.8844 1.9491 1.7554 0.4843 0.5313 0.5395 0.9698 0.4705 0.9352 0.7799 1.2223 0.5790 0.6884 0.6572 2.1493 0.7281 0.7224 1.2731 1.0473 0.8220 1.6141 0.8817 0.9782 0.7486 1.1107 1.0034 1.5590 0.8267 1.5722 0.8353 0.8023 0.7315 1.6137 1.1054 1.1159 0.8076 1.0111 0.6788 1.3466 0.7714 0.6862 0.9518 1.0474 1.2060 1.1294 1.1326 0.9063 1.3883 0.3230 1.1947 0.7823 1.5284 1.2386 0.7481 0.7581 0.7364 1.1266 1.0789 1.2894 0.8000 0.8728 1.0613 0.9923 0.9895 0.8027 1.2294 0.9836 0.4583 1.0977 0.6958 1.0481 1.0996 0.8257 0.2463 1.2149 0.4779 0.9231 1.2175 0.3412 1.5804 0.4310 1.0519 3beta-hydroxy-5-cholestenoate 0.7172 1.3854 1.2496 0.7848 1.3708 0.5517 0.8608 0.8693 0.5422 1.0669 1.2699 0.9999 1.2256 1.0240 0.7736 1.1271 0.9360 0.7696 0.4126 1.2802 0.8719 1.2557 0.8279 0.5591 0.7035 1.3225 0.9889 0.4632 0.8473 0.7061 0.5552 1.0572 0.8122 0.6685 0.3471 0.8052 0.7689 1.1589 0.6419 1.0774 0.8160 0.7839 0.9542 1.3607 0.4080 0.4790 1.2240 1.0446 0.5459 0.3679 0.9241 0.6391 0.4866 0.7662 1.0339 1.2125 0.9230 1.0660 1.1124 1.1545 0.7321 0.8320 1.0463 1.5318 1.1064 0.8918 1.7282 1.1346 0.8965 1.2035 1.2221 0.8287 0.6820 1.9123 1.7964 2.2609 0.7579 1.6726 1.6047 0.5844 1.4141 1.2705 1.8696 1.4600 0.9942 1.3693 1.1424 2.1671 1.2751 1.3959 1.3996 0.9828 1.5571 0.8824 1.0000 1.5455 1.2841 0.4756 2.0572 1.1265 1.3458 0.7286 0.8571 1.4905 0.7096 0.7047 1.7969 0.8564 1.0159 1.2176 0.9262 0.8170 1.7269 0.5635 0.8689 1.1015 0.4796 1.0255 1.0013 1.1472 1.3241 1.0697 0.8808 1.2504 0.8155 1.4329 1.5648 0.8082 1.2253 0.7440 0.8815 4-acetamidobenzoate 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 1.7934 0.4990 0.4990 0.4990 0.4990 1.0000 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 10.6309 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.5826 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 0.4990 4-acetamidobutanoate 1.0636 0.8347 1.0684 1.4344 0.4804 1.5525 0.9240 1.4378 1.1901 1.2913 1.1674 1.3993 0.6239 1.1568 1.0447 1.3282 1.1166 0.6188 0.0296 1.0154 1.0917 0.7649 1.5539 1.6219 1.2628 0.8532 1.6007 0.5485 0.4571 0.6029 0.6795 0.0296 0.0296 0.7187 1.4506 0.4079 0.8664 1.2391 0.7746 1.0446 0.9518 1.4235 0.7715 0.6957 1.2454 0.5782 1.2194 0.6839 2.4784 0.6339 1.5642 1.1728 0.5023 1.4988 0.8935 0.9190 0.8077 0.6700 1.2313 0.0296 0.9640 1.4045 1.0314 0.7736 0.7284 0.9638 1.4393 0.6321 0.5080 1.5485 0.9320 0.8367 1.2067 0.5514 0.4303 0.8246 0.9856 0.6640 1.1853 0.7414 0.7711 0.9437 0.8979 1.0145 0.7366 0.0296 1.2430 1.0353 1.9610 1.3753 0.5972 0.0296 0.9266 0.7169 1.4798 1.3438 0.6208 0.9872 0.6183 2.2038 0.1162 1.1054 1.2695 0.9446 1.4389 0.9538 0.9317 1.2308 1.2761 1.2542 0.9334 0.0296 0.9694 1.0128 0.3080 0.0296 2.4742 1.1085 1.3233 1.1733 0.8946 0.0296 1.0312 1.1626 0.8209 1.4273 0.0296 1.3582 1.0270 0.9294 1.0794 4-acetamidophenol 0.4857 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 1.0000 0.0827 0.0827 4.9994 12.1993 0.0827 0.0827 0.0827 0.0827 0.4250 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0946 3.9601 0.6922 0.0827 0.0827 0.0827 2.6982 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.4348 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 1.3597 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 9.1872 0.0827 5.6336 0.0827 0.0827 0.0827 0.0827 24.6025 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.3099 0.0827 0.0827 0.0827 141.2303 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.2800 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.4101 0.0827 1.3184 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.0827 0.2444 0.0827 4-acetamidophenylglucuronide 1.5333 0.0540 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.1442 0.0474 2.3432 0.0474 0.0474 18.1295 33.2022 0.0474 0.0474 0.0474 0.0474 1.6000 0.0474 0.0474 0.0474 0.0474 0.0765 0.0474 0.0474 0.0474 0.0633 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.1469 20.1724 1.6111 0.0474 0.0474 0.0474 4.8098 0.0474 0.0640 0.0474 0.0474 0.0474 0.1375 0.0474 0.0474 0.0474 0.1292 0.9485 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 1.6268 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 12.7292 0.0474 4.0925 0.0474 0.0474 0.0474 0.0474 35.0815 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.1780 0.4355 0.0474 0.0474 0.0474 120.7704 0.0474 0.1272 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.6540 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 1.0515 0.0474 2.8344 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.0474 0.5501 0.0474 4-acetaminophen sulfate 8.4875 0.7337 0.1176 0.1176 0.1176 0.1176 0.1176 0.4813 0.1176 1.0387 0.1176 24.5807 0.1176 0.1176 77.9821 153.2044 0.1176 0.1176 0.2349 0.1176 6.5897 0.1176 0.1176 0.1176 0.1176 0.5120 0.1683 0.1176 0.1176 0.2810 0.6639 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 0.2859 0.1176 3.0981 68.1249 15.0290 0.1176 0.1800 0.1176 28.3872 0.1176 1.1683 0.1176 0.1176 0.1176 0.5939 0.1176 0.1374 0.1176 0.9613 7.7693 0.6781 0.1176 0.1176 0.6500 0.1176 0.1176 0.1176 0.1176 0.1176 0.3628 0.1176 8.9356 0.3062 0.1176 0.1176 0.1588 0.1176 0.1983 0.1176 0.1176 0.1176 75.5354 0.1176 64.9046 0.1382 0.1176 0.1176 0.1176 195.5051 0.1176 0.5951 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 2.0553 3.8208 0.1176 0.1176 0.1176 382.5533 0.1214 1.4037 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 0.2629 7.9552 0.1176 0.1176 0.1176 0.1176 0.1346 0.1176 4.5258 0.1176 20.3147 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 0.1176 4.8533 0.1176 4-acetylcatechol sulfate (1) 1.1945 0.3544 0.3544 1.2365 0.3544 0.8988 0.9283 0.6316 0.8470 1.1556 0.7268 2.8955 0.3544 0.3544 0.9801 0.4061 0.9149 0.3544 0.3544 0.3544 1.0429 0.3544 0.3544 1.1444 0.3544 0.3544 1.0307 0.3544 0.3544 0.3544 0.3544 1.6044 0.3544 0.3544 0.3544 0.3544 0.8626 0.4592 0.3955 0.3544 0.3564 0.3544 0.3544 0.3544 0.9799 0.3544 0.7224 0.3544 0.3544 0.3544 0.5899 1.8902 2.7737 0.7364 2.2425 1.8385 1.4752 0.7157 2.3382 0.7553 1.1813 1.8080 1.1188 0.8817 0.8033 1.0302 1.0511 0.9917 1.1464 0.7883 0.4475 0.3544 0.4076 2.7391 0.7585 2.3114 0.3544 0.9239 0.8950 1.8458 0.5942 0.6595 0.8113 0.3544 2.0155 1.4158 1.0000 0.4541 4.2917 2.7729 1.5861 1.0970 1.7077 1.1022 8.9321 0.3544 0.6017 0.3544 0.3544 0.8947 0.5784 12.0747 1.5281 1.2045 0.3544 3.6893 0.4527 0.3544 0.5977 0.8068 0.6477 0.5101 1.8323 0.7579 0.3544 3.1196 0.4215 0.3544 0.7797 0.5444 2.9790 0.3544 0.4950 1.4746 1.2018 1.0321 0.3544 0.3544 1.3834 1.3455 2.7660 4-acetylphenol sulfate 0.3811 0.3811 0.3811 0.7936 0.3811 0.9718 0.3811 0.6728 0.3811 1.2703 0.3811 2.9528 0.3811 0.3811 0.9658 0.3811 0.9996 0.3811 0.3811 0.5187 0.3811 0.3811 0.8583 0.3811 0.3811 0.3811 0.3811 0.3811 0.3811 0.3811 0.3811 1.2071 0.3811 0.3811 0.3811 0.3811 0.3811 0.3811 0.3811 0.3811 0.7802 0.3811 0.8699 0.3811 0.6351 0.3811 0.3811 0.3811 1.6540 0.3811 2.6389 9.8002 0.3811 0.3811 0.8763 1.1198 0.3811 0.3811 0.9823 1.0000 0.6176 2.4384 0.3811 0.3811 0.3811 0.8668 3.5359 0.8884 1.6645 0.3811 0.7741 0.3811 0.3811 2.5801 27.0442 5.7200 0.6825 0.5947 0.3811 0.5441 0.8827 0.3811 1.8675 0.3811 2.4297 1.2639 1.1664 0.3811 1.1626 4.6049 9.3780 1.0237 1.3977 4.1120 1.4547 0.3811 0.7196 0.3811 0.8641 0.7288 0.6280 1.4022 0.3811 0.3811 0.3811 1.3875 0.7685 0.3811 0.8309 1.4549 0.3811 0.3811 0.8825 0.3811 0.3811 1.6545 0.3811 0.6174 0.3811 0.3811 1.6095 0.3811 0.3811 4.5632 0.3811 0.3811 0.3811 0.3811 0.3811 0.3811 0.7491 4-allylcatechol sulfate 0.1027 0.1955 0.1027 0.8387 1.2702 0.9987 2.2633 2.1542 0.5110 2.5706 1.9128 0.3851 0.3711 0.3715 0.2019 0.1027 2.7543 0.1480 1.5794 5.9365 0.1870 0.2524 0.1027 0.2123 0.1027 0.1027 0.3750 0.1732 1.6654 2.3789 0.5866 2.7917 4.1381 0.4538 0.6531 0.1027 0.1027 0.5834 0.2705 0.7777 1.7668 0.1027 0.1027 0.3626 0.3583 0.2031 0.1178 0.3072 1.0013 0.1461 0.2955 1.2212 1.6281 0.3021 1.5242 0.5749 1.8926 1.4809 0.4606 36.9233 0.9028 0.6642 1.1049 3.6127 1.1302 1.3601 5.5000 0.3221 1.1854 5.7547 0.2761 0.1241 0.7691 3.8578 1.8773 1.8571 0.4644 0.5750 4.0344 0.2681 1.4831 0.3551 1.9997 0.1641 0.5958 1.3912 0.4999 1.7259 19.5574 1.6422 0.5292 1.3450 4.6328 0.9794 1.1218 2.3356 0.6294 1.2789 0.6872 3.3739 1.0669 0.8194 1.9297 5.2352 1.4952 2.1969 0.2675 2.1574 1.9748 0.7823 0.2561 1.5808 1.0637 0.8165 0.6488 5.1003 2.9492 1.6288 0.2531 0.7010 10.4006 0.5148 0.2949 4.5761 2.0342 2.2902 3.0727 0.5565 0.1468 0.1772 2.4731 4-allylphenol sulfate 0.3116 0.8553 0.2351 1.3911 4.4758 4.1498 1.7609 1.1333 0.5280 1.0000 0.5942 0.9182 0.4994 0.4088 1.0313 0.2221 9.7733 1.0310 1.0613 1.7418 0.8722 0.3723 0.1133 0.2667 0.1759 0.2981 0.4583 0.4174 0.9190 0.8929 0.8634 1.6510 1.1569 0.1322 0.1840 0.4706 1.5457 0.5392 0.4376 0.7385 0.7265 0.3694 0.5216 1.0150 1.2460 0.5755 0.7950 1.1680 2.3773 0.4440 0.5090 0.4638 1.1381 0.1961 1.4845 3.4023 0.4129 0.4492 0.2926 5.0856 7.5157 0.9051 1.1363 16.0701 1.7971 0.6548 12.4628 0.7481 2.8137 3.2772 0.6722 1.1424 2.4409 1.8766 1.8179 4.0414 1.2674 0.5148 1.3016 0.9515 0.6608 0.5604 7.1928 0.7762 4.9406 13.6863 3.3384 7.3237 9.7798 0.7104 8.4041 1.4982 2.1191 0.8516 0.9885 4.0133 0.7328 0.7581 5.8028 4.0180 0.9171 1.1041 3.0998 4.6398 0.7367 1.9972 0.2959 1.4886 4.0352 2.7921 0.5346 1.5080 1.3225 0.1017 0.5480 2.3280 1.7621 3.2701 0.4687 2.5385 8.4734 0.5182 0.9066 4.8314 1.5015 0.4751 2.6385 0.7973 0.1791 0.6967 12.5274 4-cholesten-3-one 1.5057 0.3624 3.9383 0.9405 0.3624 1.2524 0.3624 1.1058 0.3624 1.0849 0.9549 0.3624 0.3624 0.3624 0.3624 1.6391 0.3624 1.0901 0.6489 0.7443 0.3624 1.3530 0.7068 0.9495 1.0984 1.4722 0.3624 0.9676 1.0674 0.6655 1.0547 1.0558 0.3624 0.3624 1.1301 0.7575 0.3624 0.3624 0.3624 0.3624 0.7442 0.6296 0.8381 0.8331 1.7699 1.0179 0.3624 1.6257 0.6941 0.3624 0.3624 0.5241 0.3624 0.3624 0.3624 0.4170 0.3624 0.3624 1.0975 0.3624 0.6622 0.5975 0.3624 0.3624 0.3624 1.4467 0.8434 0.8114 0.3624 0.3624 0.4843 0.6993 0.3624 0.3624 0.3624 0.3624 0.3624 0.3624 1.5748 0.3624 0.3624 0.3624 1.0050 0.3624 0.3624 0.8510 0.3624 1.3496 0.3624 0.3624 0.4984 1.0574 0.3624 0.3624 0.3624 0.3624 1.3729 0.3624 0.7667 0.7709 0.3624 1.1175 1.0217 0.3624 1.0665 0.8284 0.6423 0.3624 1.3111 1.0817 0.8606 0.3624 0.9038 1.0528 0.3624 0.9950 0.8463 0.7447 0.3624 1.0124 0.7922 0.3624 0.3624 0.9862 1.7201 1.4453 1.0688 1.0719 1.0404 1.1517 0.6512 4-ethylcatechol sulfate 0.1550 0.1550 0.1550 1.3897 0.5140 0.1550 0.8766 0.5634 0.8663 2.9794 0.4255 8.8710 0.1550 0.1550 2.6647 0.1550 0.1550 0.1550 0.1550 0.6857 0.4536 0.1550 1.4706 0.1550 0.1550 0.1550 0.8961 0.1550 0.1550 0.1550 0.1550 4.3098 0.5606 0.1550 0.1550 0.3343 2.4486 0.1550 0.1550 0.1550 0.1550 0.1550 0.6530 0.1550 0.3275 0.1550 0.1550 0.1550 1.0671 0.1550 1.2904 6.0161 0.6389 1.4187 3.9875 1.7979 0.8883 0.2839 5.2069 1.0161 2.9150 2.7832 1.8830 0.1550 2.8485 0.8602 4.4428 1.2407 1.0000 1.7943 1.4446 0.1550 0.1550 1.7574 0.6880 4.5207 0.1550 1.0673 0.5916 0.6527 0.7104 0.6389 1.7052 0.7127 4.2084 0.1550 1.8564 0.9934 1.5221 5.0014 5.1385 0.5828 5.4811 1.4865 0.5962 1.6381 0.8747 0.1550 4.2904 0.1550 0.6366 28.8241 0.7216 0.6266 1.3140 0.1550 0.2833 0.5542 0.1550 2.6040 0.6262 0.3112 2.3213 0.1550 0.4882 0.8010 0.1550 0.1550 0.1550 1.1630 1.0162 0.3879 0.5758 0.1550 0.8522 0.1550 0.1550 0.1550 0.6317 0.3791 0.6080 4-ethylphenylsulfate 0.1599 0.1219 0.3811 4.7253 0.9564 1.4450 0.9502 2.1583 5.6719 20.4475 1.0782 6.0588 0.8866 0.7728 9.1487 0.9679 1.1228 0.9951 0.9875 0.2400 0.9369 0.3125 21.0987 3.3088 0.5529 0.1334 0.9388 0.5092 0.5279 0.5099 0.2464 6.6789 0.5124 1.1829 0.3596 1.2595 2.3289 0.3083 0.5748 0.8942 0.8709 0.6832 13.0759 0.5533 1.5165 0.8317 0.5727 0.4743 6.5885 0.3512 36.1834 70.7161 1.1476 1.5908 19.9079 2.7014 1.5761 1.0000 1.7462 1.0555 2.4481 38.1586 2.3359 0.5827 1.0007 9.3614 36.9091 1.5724 8.9482 1.6900 9.0389 0.4605 0.4741 1.7013 0.8966 66.6386 4.0651 1.2209 0.8034 0.4658 0.4566 0.8358 17.3887 1.4658 15.4957 0.4524 4.2188 0.3432 0.3321 40.6194 101.6031 0.5957 2.4297 41.3598 2.5974 1.7482 18.5793 0.3987 10.3628 0.2647 0.6603 0.8738 0.8765 0.8043 0.7677 0.8492 0.3570 0.6999 0.7660 12.8744 0.7305 7.4598 1.7675 0.3200 0.1736 0.7290 1.3496 6.3814 0.1975 6.4828 37.2226 3.8117 0.8961 1.1380 1.0466 0.3500 0.8490 0.1334 0.2408 1.6639 1.3858 4-guanidinobutanoate 0.2890 0.2153 0.2153 1.0006 1.0263 1.1032 1.0972 1.1405 0.9462 1.1683 0.2408 1.2895 0.2153 0.2153 0.4677 0.2153 2.7120 0.2831 0.6209 0.9994 1.3422 0.2153 1.0599 1.8605 0.2153 0.6868 0.2153 0.2153 0.4491 0.2153 0.2153 0.8318 0.2153 0.4311 0.2153 0.2153 0.4903 2.2995 0.2153 0.2153 1.7160 0.3920 0.2153 0.2660 1.7447 0.2153 2.6561 0.2153 6.9638 0.2153 0.7942 1.6091 1.8110 2.1056 2.8966 1.0307 1.9411 0.5387 0.2269 0.2153 3.9369 1.3246 1.5497 0.4406 0.7748 0.6118 0.7833 1.9792 0.6843 1.0983 2.6017 1.6173 0.2153 2.9582 0.2153 5.4107 0.5081 0.8521 0.2893 0.4484 0.4494 0.3995 0.8847 0.4320 2.9951 0.5934 1.7420 1.6835 2.1460 1.0883 0.6507 0.2153 1.2110 0.7874 2.7335 0.2153 0.5187 1.7633 0.8629 1.3889 0.2153 3.1738 0.6471 0.2153 0.8688 2.3388 1.1134 0.9052 3.6934 0.5198 1.0189 0.4410 0.2153 1.5573 0.6112 3.0729 0.8699 0.9223 1.0939 0.9942 0.2958 0.2153 0.9022 3.4179 0.6845 1.3514 0.2153 0.3599 0.3910 0.3030 1.1728 4-hydroxy duloxetine glucuronide* 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 2.6513 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.4876 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 1.0042 0.2834 0.2834 0.2834 0.2834 1.0000 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 0.2834 4-hydroxy-2-oxoglutaric acid 1.4696 0.4518 1.1126 2.2418 0.2272 2.0321 0.6623 0.3615 2.0057 0.7976 0.9885 1.9678 0.8128 1.5977 1.6792 0.5213 0.9258 0.7206 0.6643 0.5520 2.6015 0.4965 0.9316 0.4989 0.2968 0.7442 0.7387 0.3766 1.1362 0.8121 1.3542 0.8765 1.2377 0.5277 2.1431 0.7462 1.0040 1.0610 0.8448 0.9701 1.0231 0.6457 0.7176 0.5935 1.2291 0.5566 0.8061 0.4572 0.6795 0.4608 2.7476 0.6062 0.7116 0.8989 0.8380 1.0106 1.7986 1.2710 0.9671 1.8557 1.4090 1.0281 0.6531 1.3809 1.5728 1.3035 0.8406 0.8416 1.0033 1.1682 1.0000 0.8236 0.9016 0.8776 1.2095 0.3709 0.2848 0.5838 0.8026 0.6672 0.7187 0.9390 1.9456 0.7891 0.5411 1.6707 0.3030 0.8212 1.9456 0.5894 1.4758 1.6611 0.9210 2.3388 0.4226 1.1619 0.9753 1.2087 1.4665 1.4204 2.3339 0.8609 1.1521 1.6948 2.9162 1.3815 1.0193 1.5671 3.1009 1.2440 2.4019 2.2604 1.3101 1.4461 0.9115 4.1492 3.1643 1.0556 1.6581 1.9432 1.4032 2.1620 0.5293 0.5513 3.2779 1.6798 1.9054 0.9821 2.6211 0.4201 1.6854 4-hydroxychlorothalonil 0.3834 0.5972 1.1875 0.8794 0.7756 0.7196 1.0441 1.2537 0.5777 1.1273 1.3797 0.6859 2.5298 1.4241 1.1562 1.1370 0.3785 1.9434 0.3263 0.5878 1.4860 1.0426 0.9243 0.5519 1.1347 0.7372 2.1428 0.9607 0.5846 0.8916 0.4955 1.3111 0.4090 0.2788 0.7914 1.0027 0.7364 0.9631 0.4369 0.7562 1.4054 1.2628 2.3318 1.7617 1.7336 0.8830 1.1641 0.9329 0.1935 0.8851 1.0000 1.1342 1.0256 1.9535 1.0086 0.7412 6.4900 0.4539 1.0661 0.5597 1.2692 0.8907 0.8314 1.2648 1.2333 0.9815 2.6001 0.9225 0.6662 1.1384 0.8598 0.4247 0.7281 1.3012 0.7429 0.8430 0.6609 0.7525 1.3663 1.0179 2.1504 1.6243 0.6266 0.8263 0.4509 0.5496 1.3364 3.5936 1.5110 0.4241 1.3085 0.7618 1.3198 1.2055 0.5732 1.4692 0.4165 0.5271 0.5133 1.1676 1.0909 1.2092 0.7302 0.4821 1.1060 1.3631 0.8878 1.7732 1.2161 0.7450 0.4860 0.8122 1.0487 0.5814 1.0097 1.1372 1.0577 1.0751 0.7650 1.3526 0.7974 1.1002 0.5823 0.5287 2.3185 5.1370 1.0782 1.0920 0.7833 1.2327 1.2999 4-hydroxycoumarin 0.1788 1.4725 0.1788 0.1788 1.2358 0.1788 4.8329 0.1788 0.5807 0.1788 0.1788 0.8026 0.1788 0.1788 1.6912 1.3813 0.1788 0.1788 0.1788 3.4410 5.4918 0.8176 0.1788 0.9385 0.1788 0.1788 0.4778 0.1788 0.1788 0.5064 0.1788 0.7530 0.5493 0.9239 0.7932 0.4114 2.6766 0.3380 0.6367 0.1788 1.3858 0.1788 0.1788 0.1788 0.3575 1.4980 0.1788 0.1788 0.3535 0.1788 0.9117 1.1059 1.5681 1.5867 3.3445 2.0869 2.4304 0.1788 0.7845 0.1788 0.1788 0.5806 2.4014 0.5770 1.2762 1.1965 8.4553 2.1270 0.5170 0.3606 0.5170 0.9004 0.3770 0.4906 0.1788 1.2153 17.3572 3.2180 1.6863 2.5575 0.3714 0.1788 2.7648 0.1788 1.6796 0.7020 1.1592 0.6833 4.4795 2.2887 1.0036 1.0782 1.6779 0.1788 0.6441 0.1788 0.1788 0.4899 0.3031 0.5625 0.1788 0.8018 1.0975 0.9816 0.1788 0.1788 0.1788 8.4752 0.1788 0.7049 0.1788 0.7511 3.2940 0.1788 0.1788 0.1788 5.6841 0.8228 0.9973 0.5430 4.0722 0.1788 0.6922 0.1788 2.5805 0.4403 2.3392 0.1788 0.1788 0.1788 1.0027 4-hydroxyglutamate 0.3400 0.3400 0.3400 1.7926 2.7307 1.5437 0.3503 0.4230 2.1841 2.4028 0.3400 2.7279 0.3400 0.7375 1.8514 0.3400 4.9654 0.9036 0.9176 0.3400 0.5867 0.3400 2.0228 0.3400 0.3400 0.3400 0.3400 0.6484 0.3400 0.3400 5.8290 3.2401 1.1518 0.3400 0.3400 0.3400 0.3400 1.7381 1.2561 0.3400 0.6678 0.3400 0.3400 0.3400 3.0820 0.3400 0.8801 6.5038 3.4888 0.3400 1.8795 3.2586 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3459 0.5716 0.3400 0.3400 0.3400 0.3400 0.3400 1.4077 0.3400 0.3400 0.5015 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.6462 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.3400 0.4386 0.6589 0.3400 0.8444 0.3400 0.3400 0.3400 0.3400 0.7402 1.0443 0.4625 0.8415 2.0097 2.2119 0.3400 0.3400 1.3756 0.3400 1.0000 3.2429 0.5709 0.5490 0.4126 0.3400 0.9838 0.3400 0.3400 1.2177 0.3400 0.3400 1.6147 0.3400 0.3400 0.7864 0.3400 1.2961 0.3400 0.4010 0.3400 0.7891 0.3400 0.8757 4-hydroxyhippurate 0.9643 0.7059 0.3679 2.2286 2.0659 2.1292 1.0400 2.5881 0.6054 1.9709 0.4495 9.1856 0.8057 1.1034 0.6615 0.8653 1.3215 1.0000 5.8260 2.4714 1.8945 0.2862 0.7639 0.7752 0.1492 1.0215 1.8852 0.2844 1.2003 1.4439 1.9301 2.4337 0.4906 0.7333 1.1319 0.9563 0.8515 0.4862 1.6113 0.8841 4.8717 2.4108 0.5344 0.3624 1.5185 0.3481 0.6484 0.2436 2.3476 0.3897 0.7122 1.3773 0.7140 1.0032 0.6813 0.5867 0.9243 1.8068 0.6944 7.4319 2.0179 2.0528 0.7969 0.5362 0.5790 0.8006 1.8026 0.6369 1.2719 0.9106 0.9675 1.5694 0.6482 3.2100 0.3497 0.8341 0.4277 1.0947 0.8533 1.8295 0.6850 0.4894 0.3792 1.1811 1.1081 0.9647 1.5822 1.6178 2.1695 1.7664 0.7291 1.0580 0.4903 0.8675 0.9312 1.1157 5.2552 1.2509 0.2443 3.2731 2.0725 1.6969 1.9960 0.6627 3.6602 7.9399 4.1468 1.4692 1.3610 0.8707 0.5408 0.6367 0.8295 2.0014 0.4060 5.9531 3.1092 1.4327 1.3485 0.6552 0.4889 0.8219 0.6588 2.7999 0.8212 1.5306 0.5488 2.1610 2.0087 0.8802 4.0256 4-hydroxyphenylacetate 1.1137 0.5931 2.0661 1.1666 1.0000 4.0488 2.6669 1.4065 0.2713 0.2713 0.6475 2.9769 0.9314 0.2713 1.5380 0.2713 5.5699 0.7250 0.9434 0.2713 0.9245 0.5621 0.2713 0.2713 0.2713 0.2713 0.2713 0.2713 1.6886 0.9778 1.0512 1.1319 0.2713 1.9523 1.1468 1.0478 0.6432 1.2803 5.4450 1.0324 0.8972 3.3080 0.2713 0.9508 1.9995 0.2713 1.7527 0.8836 2.5460 0.2713 0.8296 0.2713 0.2713 2.5804 0.7443 1.0895 0.5804 1.4900 0.2713 1.1759 0.8083 1.0534 1.0351 0.6762 0.2713 0.7096 1.3822 0.7639 0.7867 1.6139 0.6119 0.2713 1.0136 1.5582 0.2713 0.9676 0.2713 0.8319 1.0058 0.5841 0.4827 0.7441 0.6842 0.2713 0.5730 0.2713 0.9684 1.2035 0.8362 2.9191 0.8821 0.2713 0.7332 0.8534 0.9581 1.3664 0.8655 1.3036 0.2713 0.5643 4.0655 1.2691 0.6524 0.5562 1.4362 1.9306 0.2713 0.7867 0.9886 1.2332 0.2713 0.2713 1.0357 1.8115 1.1568 1.5174 5.4414 0.2713 0.9938 0.7158 0.7326 0.2713 0.8526 0.7681 0.2713 1.1060 0.6325 0.6816 0.6678 0.2713 2.4612 4-hydroxyphenylacetylglutamine 1.8309 0.8164 1.8150 1.4689 0.7784 4.3131 2.0572 1.1301 1.0000 0.8401 0.6329 3.6367 0.7752 0.7662 1.0907 1.0422 5.7737 1.2856 5.6168 0.3991 1.7921 0.5405 0.4529 0.8649 0.3991 0.3991 1.2944 0.3991 1.0813 0.8162 2.4670 1.7232 1.7184 2.5157 1.8045 0.5792 0.7847 1.2879 6.2896 0.7131 1.2380 4.5028 0.3991 0.6387 2.4744 0.6269 3.7183 5.1052 6.7388 1.0885 0.9484 1.3744 0.3991 2.6873 0.4234 0.9009 0.8107 1.1685 0.7460 1.1966 1.6936 0.9373 0.9809 0.5782 0.5119 0.3991 0.8965 0.5873 0.3991 1.3724 0.3991 0.9290 0.7175 0.7629 0.3991 1.5463 0.4211 1.0467 0.5965 0.3991 0.7693 0.3991 0.7373 0.6887 0.8278 0.5244 0.6277 0.7459 0.9520 1.9469 1.3467 0.6955 0.7178 0.5739 1.1442 1.4231 0.4587 1.5461 0.3991 0.6798 2.0175 1.3109 1.2873 0.3991 1.3543 2.1135 0.6707 1.5768 0.8773 1.3678 0.4951 0.3991 0.7399 0.7528 0.6585 1.4598 11.8949 0.3991 1.2974 1.3371 0.5582 0.4644 2.1592 0.4578 0.3991 1.6405 0.8435 1.7200 0.6464 0.7649 3.5994 4-hydroxyphenylpyruvate 0.9531 1.0043 1.0949 1.2676 1.4914 1.7198 0.8829 1.2048 1.7685 1.3873 0.9464 1.5208 0.9482 0.6034 0.9206 0.7912 1.9542 1.2192 1.1789 1.0754 1.4303 1.0636 0.6935 0.8205 1.3280 0.6894 1.1317 1.2411 1.0359 0.8053 0.7302 0.8827 1.1644 0.7193 1.0322 1.0248 0.7499 0.8980 1.0687 1.1518 1.4725 1.1201 1.2326 1.1869 1.5637 1.2146 0.8333 0.6493 1.2421 1.0181 0.8861 1.5409 0.5592 0.6305 1.0548 1.1504 0.8175 0.5709 0.4853 0.6072 0.8962 1.0410 0.8568 0.9016 1.0000 0.7843 0.9027 0.6937 0.8252 0.8685 0.8723 0.6836 0.5059 0.9633 0.6874 1.1617 0.7611 0.9269 0.8687 0.9456 0.8381 1.1053 0.7554 1.1385 0.8303 1.0280 0.7913 0.8341 0.7068 0.6028 0.6410 0.6099 0.8488 0.9264 1.2687 0.8473 1.2005 0.9528 1.1494 1.2527 0.8586 1.6455 2.0052 1.4243 0.7646 0.7669 0.7893 1.4221 1.7336 1.4215 0.9175 0.7657 1.6523 1.6315 0.9668 1.0719 1.9988 1.0705 0.7373 1.2947 1.0273 1.2414 1.0168 1.2672 0.7429 0.9047 1.2206 1.0667 1.7560 1.1107 1.1438 4-methoxyphenol sulfate 0.8009 4.3941 1.5275 0.7524 0.6273 1.3341 0.4506 0.5444 0.8755 1.0896 0.3034 2.4371 0.3034 0.3034 0.5852 0.3034 0.8397 0.3034 0.7401 0.6758 1.0647 0.3034 0.3034 0.6720 0.8344 0.3034 0.9690 0.3034 0.3034 0.4782 0.5708 3.7901 1.3633 0.3034 0.5643 0.3034 0.6266 1.0558 1.3495 0.3034 1.8585 0.3034 2.7465 0.6177 2.6263 0.3034 1.8674 0.3034 2.4317 0.3219 0.4467 0.3332 1.5150 0.5026 4.7064 1.5757 2.1529 0.3034 0.3034 0.3383 2.0564 1.2289 0.3034 1.7909 0.8431 4.5262 2.7001 1.9569 2.1073 0.4014 0.9372 2.5211 0.3034 2.9920 0.3034 0.9675 0.8396 2.1841 1.4020 0.9448 0.5137 0.6880 0.5937 0.5930 5.2963 1.0102 0.6201 2.3677 0.8954 2.3143 0.8488 0.8053 1.2777 1.2792 1.7344 2.1791 0.7439 0.4137 1.3718 1.2400 3.3940 5.0871 0.9898 0.7358 0.9886 1.1888 1.5715 1.9704 0.5924 1.4651 0.7848 0.7683 1.6419 0.3034 0.4463 2.9468 1.5150 0.9757 0.3034 0.7039 1.6203 0.5115 1.8318 1.2380 0.8955 1.6471 0.5454 0.3034 0.7635 0.3221 1.1790 4-methyl-2-oxopentanoate 0.5332 0.9562 1.5241 1.2054 0.9823 0.7688 0.9803 1.0885 0.5872 1.1386 1.1178 0.9600 0.8830 0.7987 1.2851 1.2216 1.0066 1.5519 0.9857 0.8660 1.2784 1.7542 0.9731 0.8867 1.4942 0.7576 0.8678 1.2436 1.4915 1.6703 1.1232 0.7718 1.3550 1.4173 1.4213 1.2073 0.8309 1.2610 1.0849 1.2115 1.3228 1.2282 1.3746 1.9716 1.6476 1.7180 0.7818 1.5468 0.9277 1.0929 0.8117 0.9760 0.5949 0.5677 1.3030 0.9753 0.8295 0.5285 0.9172 0.6363 0.9816 0.6545 1.1645 1.2234 0.7827 0.8522 1.2828 0.7809 0.9763 0.8768 0.6578 0.6428 0.8301 0.9268 0.9703 1.1496 0.7396 0.9457 0.8110 0.5438 0.7852 1.0507 1.6254 0.8255 0.7786 1.0525 0.9813 1.3477 0.9803 0.9710 0.9212 1.0262 1.2570 1.0280 0.6582 1.3037 1.4452 0.9143 1.2291 1.0569 0.8613 1.3254 0.9141 0.7920 1.1125 1.2271 1.3457 0.9421 1.8954 1.1685 1.0000 1.2140 0.8263 1.1325 1.6415 0.6499 1.5041 1.6172 1.0839 1.1444 0.9235 0.9771 0.9706 1.1547 0.8385 1.3852 1.0798 0.7470 0.6352 1.2557 1.0068 4-methylcatechol sulfate 1.2756 1.1063 0.5137 0.4269 1.1282 1.5116 2.1378 0.7430 1.3170 3.3266 1.8239 1.0000 0.9998 4.2796 1.6231 0.9672 0.5605 1.1567 2.6745 0.2557 3.4867 0.5104 2.0295 1.2037 0.3996 2.2825 1.5904 0.4882 0.1808 0.5990 1.5334 1.9469 0.2864 1.3137 3.5273 0.7316 2.8830 0.6999 0.5056 0.6411 0.2373 1.9878 0.6254 0.8332 2.6456 0.8779 0.7108 0.2335 3.4980 0.2895 0.6782 2.7019 0.6502 1.2304 3.8138 0.5007 1.5419 0.1417 0.5650 1.3052 1.0781 1.2465 1.2600 1.5153 1.4408 1.0928 8.3969 0.7129 5.3391 1.3506 0.7823 0.4045 0.8646 2.9214 0.2864 0.7899 0.3530 0.4433 2.0942 1.3505 5.9688 0.5280 0.5617 0.5969 2.0900 0.5892 2.6520 0.7934 2.1480 2.6371 1.6790 3.0974 1.0472 0.7108 2.0330 1.7172 0.5126 2.5372 0.4194 0.4081 0.9387 1.1490 0.8131 1.0487 1.4793 0.3549 0.7781 2.7951 0.5398 1.7117 0.4277 0.3902 0.8280 0.0146 0.2931 0.6111 0.7086 1.8409 1.1183 2.5581 0.4188 0.3128 0.9837 0.5486 0.8628 1.2441 0.4817 3.6801 1.1501 2.9459 0.2457 4-methylguaiacol sulfate 1.2426 1.1320 0.2579 0.3777 0.7209 1.7267 2.7616 0.5205 1.4169 4.7465 0.7925 1.1301 1.0452 5.9797 1.8813 0.2236 0.9781 1.4642 3.4968 0.2236 4.7496 0.2236 1.2364 1.2373 0.2930 3.0207 2.4517 0.2741 0.2236 0.3467 1.6287 1.8001 0.2380 0.5598 3.4322 0.4498 3.8952 0.3637 0.3572 0.5333 1.0002 1.8079 0.5611 0.3777 2.3145 0.6312 0.7671 0.2236 6.4425 0.3296 0.6121 2.7216 0.2236 1.3381 2.6120 0.2236 1.2858 0.2236 0.5243 0.8397 0.8092 0.5953 0.8837 1.0456 1.0929 0.4734 9.6523 0.6798 9.3281 0.5331 0.5077 0.3202 0.2236 1.4181 0.2236 0.4934 0.2236 0.2236 0.7440 0.7985 7.6072 0.2236 0.2964 0.5127 1.5177 0.2236 4.7300 0.5571 1.1488 2.5535 1.7401 2.3681 0.5091 0.8102 1.7113 1.6609 0.2236 2.8527 0.5738 0.3088 1.0757 0.9761 0.3373 0.3957 1.2904 0.2236 0.6764 2.3125 0.2773 1.0000 0.2236 0.2236 0.4262 0.2236 0.2236 0.2236 0.5725 1.2703 1.0972 1.8023 0.2236 0.2236 0.6672 0.2236 0.3735 0.9582 0.4223 5.6920 1.2759 3.5266 0.2236 4-methylnonanoylcarnitine 0.5568 0.2589 0.9539 0.2589 0.2589 0.5845 0.8764 0.2589 0.2589 0.9581 1.0247 0.9823 0.2589 0.2589 0.8037 0.2589 0.2589 0.7007 0.2589 0.6565 0.2589 0.2589 0.2589 0.2589 0.5487 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.2589 0.8993 0.2589 0.2589 0.2589 0.2589 0.2589 0.6817 0.9617 0.2589 0.2589 0.2589 0.7253 1.2594 0.9235 0.2589 0.2589 0.5507 0.2589 0.2589 1.3482 1.4262 0.2589 0.7991 0.6943 0.2589 1.1729 0.2589 1.7529 0.2589 0.7878 0.2589 1.9389 0.2589 2.1954 1.0403 0.2589 0.2589 0.2589 0.2589 0.2589 1.3677 0.4807 1.1839 0.2589 0.3393 0.8569 0.2589 0.2589 0.2589 0.2589 2.3513 0.2589 1.2094 0.9024 0.8259 1.1317 1.0065 0.8315 0.2589 0.5843 0.2589 0.2589 1.0602 0.2589 2.1176 0.7103 1.1899 0.2589 0.2589 1.0790 0.2589 0.2589 0.2589 0.5996 0.2589 1.2189 1.0719 2.6036 1.0830 0.9935 1.0857 1.4235 1.2450 0.8076 1.2238 0.2589 0.2589 0.9155 1.2152 1.2192 0.8860 1.1508 1.0638 1.8598 0.2589 1.5461 4-vinylphenol sulfate 1.1124 0.3560 0.5714 3.6120 0.7538 0.5169 0.6029 3.5653 0.3578 1.0618 0.2164 20.5035 0.1124 0.2666 4.8887 0.2062 0.9359 0.1236 1.0654 1.8458 0.5570 0.0520 2.1730 1.7306 0.1581 0.1762 0.5653 0.0358 0.2418 0.1180 1.4553 4.0055 0.2697 0.1178 0.2183 0.0906 1.3152 0.4233 1.7584 0.0836 2.2097 0.1423 0.2546 0.1103 0.5134 0.0460 1.5423 0.9990 2.7482 0.0789 0.3330 3.7180 1.2593 11.0514 3.1353 3.9407 0.6664 6.5751 0.4595 7.6420 2.6878 1.0000 2.2271 0.3697 2.3809 0.2550 4.0637 1.6586 3.4461 6.0619 1.1556 1.4221 0.2062 13.8504 0.1892 2.2085 0.9657 4.0819 0.4700 5.4014 0.3776 0.2623 1.8106 1.9405 3.9063 5.6154 1.1751 0.3812 0.6871 2.8538 1.2576 1.6286 5.3513 2.6150 0.6296 5.2876 1.3337 0.2300 2.6039 3.1192 1.1332 0.6949 3.3389 0.4465 4.5199 18.6571 0.5319 1.1801 0.8318 7.7542 1.4904 0.6473 2.0296 3.0222 0.5169 4.7044 2.4265 0.4982 2.0415 0.2841 0.5811 0.2200 0.8499 0.8791 0.3165 1.4359 0.3770 0.0675 0.6407 0.2952 8.6835 5,6-dihydrothymine 1.1201 0.8885 0.6995 1.8615 1.2398 0.7258 0.9280 1.1211 0.7796 1.0040 1.5965 1.0893 0.9665 1.1533 0.7724 1.1568 1.1626 1.3538 1.0000 1.4127 0.7908 1.2759 1.1942 1.1561 0.9193 1.5041 1.0310 1.6049 0.6712 0.9028 0.6151 0.8052 0.5057 0.7187 1.1470 1.2102 0.7800 0.9699 0.7998 0.9706 0.9557 1.1955 0.6586 1.2878 0.7126 1.3193 0.7699 0.7058 0.5460 1.0713 0.9794 0.8988 0.6550 0.6514 0.9900 1.2638 0.7488 1.1071 1.1525 0.7144 0.5421 1.4006 0.7664 1.0076 0.9955 0.8831 1.2213 0.8270 0.6980 1.0633 0.9832 0.8494 0.7704 0.9117 1.2792 1.1105 0.8470 1.1236 1.3547 0.9677 0.8513 0.9889 1.3155 1.0046 0.7384 0.5927 0.7147 0.8109 0.8227 0.8294 0.6465 0.6458 0.6545 0.9178 0.8029 1.5277 1.2088 0.8769 1.1905 1.9316 1.0026 0.7143 1.4759 1.3530 1.2040 1.1003 1.0720 1.2717 1.1910 0.8014 1.0436 1.2897 1.3193 1.1262 1.0147 1.1809 1.0742 1.3903 0.8121 1.2901 1.0559 1.0178 1.2371 1.3760 0.8698 1.2428 1.0561 0.9162 1.1598 0.9722 0.9198 5,6-dihydrouridine 1.1750 1.0825 0.9184 1.3598 0.7982 1.9739 0.7244 1.0688 1.0360 1.0325 1.0620 1.2218 1.0219 1.3026 0.9843 1.3906 1.0518 1.0000 1.6236 0.9417 1.3940 0.9790 0.8740 0.8405 0.9444 0.9875 1.3500 1.1930 0.9667 1.0568 0.8516 1.1871 1.1293 1.4223 1.9744 1.0767 1.0819 0.8873 1.5030 0.7723 0.8116 1.4232 1.0266 0.8781 1.5251 0.7475 0.8003 0.9098 2.1418 1.2648 1.5467 0.6558 0.8459 0.7307 0.6920 1.2160 0.8207 0.8264 0.8467 0.8610 1.2703 1.0179 1.0302 0.8389 0.8375 0.7652 0.9921 0.9299 0.6621 0.8972 0.7089 0.9211 0.7285 0.7638 0.7527 0.8901 0.6875 0.8276 0.8067 0.8431 0.7692 0.8566 0.9798 1.1595 1.1734 0.9988 0.6739 0.8465 1.0595 1.0259 1.1346 0.7798 1.0296 0.6837 0.9718 1.3452 0.6101 1.1542 0.9621 1.3224 1.1651 1.1341 1.1618 1.0177 1.0483 1.0980 0.9397 1.1823 1.1402 1.2042 0.8838 0.9462 1.3473 0.7997 0.9506 1.4993 1.6779 0.8804 1.1111 1.0915 0.8054 0.8431 1.0048 1.2342 0.8347 1.2804 0.9000 1.2318 1.4180 1.0970 1.3573 5-(galactosylhydroxy)-L-lysine 1.7490 2.2247 1.1460 0.9903 1.4953 0.6901 1.0426 0.4621 1.1713 0.9575 0.2318 2.1413 2.4586 1.2006 0.2318 2.5865 2.1080 1.2064 1.1885 0.9785 1.9247 0.2318 1.4624 0.8563 1.9482 0.8974 3.4695 2.4406 0.8629 0.2318 0.7079 0.5512 0.2318 1.2708 2.6926 1.0774 0.2318 1.5160 2.5371 0.7877 1.3153 1.9634 1.8314 1.5324 1.0812 1.0671 0.2318 0.2318 4.4339 2.3431 1.7429 0.9523 0.8184 1.0272 0.8558 0.2318 0.2318 0.2318 0.8243 0.2318 0.5198 0.9064 1.0627 1.0047 0.6743 0.2959 0.6367 0.3914 0.4945 0.3515 0.2318 1.0130 0.2318 0.3250 0.2318 0.6783 0.2318 0.2318 0.3525 0.6017 0.7121 0.9726 0.2318 0.7028 0.7097 0.2318 0.3947 0.9322 0.7372 0.8321 0.2318 0.2318 0.2318 0.2318 1.2628 1.6971 0.6045 1.3939 0.8520 1.3451 0.3016 0.7780 0.6510 1.1792 0.6687 0.8028 0.8601 2.5656 0.2318 2.4773 2.1541 0.2318 1.3542 0.6372 0.2318 0.2318 1.9371 1.0971 0.9953 0.2318 0.3761 0.2318 0.2318 0.2318 0.2318 0.8837 0.4341 1.3201 3.0965 0.9919 1.6066 5-acetylamino-6-amino-3-methyluracil 1.7570 1.3355 0.0346 0.1050 0.1116 1.5574 2.9357 2.3019 3.6308 0.8520 3.2119 0.9190 0.1204 1.3153 0.8264 0.7154 0.1302 0.1575 2.1382 1.1805 0.1417 0.0302 0.7191 2.3477 0.0282 0.4775 0.8489 0.0640 0.0192 0.0192 1.1996 3.7215 4.1141 0.8489 0.1260 1.6652 5.0509 0.0856 1.0361 0.0192 0.9533 1.1436 0.0859 0.0889 2.6871 0.1761 1.5188 0.0302 4.0616 0.8074 4.1472 3.1350 0.6828 3.3550 6.8176 3.6894 1.7695 0.5850 0.8021 0.0664 0.4891 1.5328 1.8774 0.1195 1.8951 0.4700 0.2483 0.2595 0.4873 0.9918 3.4053 0.8282 0.5612 1.1461 1.5586 0.9402 2.5760 3.2562 5.5706 1.4517 2.3290 2.6803 3.3897 1.1928 1.8348 0.0542 1.3936 0.0747 5.5422 0.5948 1.7249 1.0000 0.6760 0.7429 0.3637 2.6903 0.0508 0.4477 1.1973 0.1763 4.3499 2.5823 0.2181 2.3589 4.8464 0.8529 2.0102 0.1900 2.0652 1.0992 2.1642 0.0626 2.7471 0.9536 4.2859 4.1242 3.0904 0.8997 0.7507 1.6237 0.3092 1.9180 0.2651 1.4752 0.2712 0.6439 2.2964 0.0730 3.8800 0.1165 0.1679 5-acetylamino-6-formylamino-3-methyluracil 1.1013 1.0462 0.1020 0.2245 0.1020 0.9538 2.2972 2.3014 4.6653 0.7211 4.2689 0.6445 0.1413 1.3651 0.3194 0.3486 0.2649 0.1107 1.0522 1.2093 0.1020 0.1020 1.6895 6.1612 0.1020 0.5896 0.4535 0.1217 0.1020 0.1020 1.4452 6.4378 4.5277 0.4874 0.1833 1.3884 4.1730 0.1020 0.6259 0.1020 0.7055 0.3024 0.1249 0.1020 2.3707 0.2648 1.1915 0.1020 1.3142 1.1277 5.1298 3.0763 0.4990 2.4014 9.8995 1.2768 0.3898 0.3082 0.5010 0.1746 0.5277 1.4918 1.6669 0.1020 1.2937 0.3599 0.2789 0.1709 0.4996 0.6064 4.6502 1.1805 0.8720 1.6770 0.7816 0.7270 1.6214 4.1236 6.2037 0.6150 4.0210 2.7760 1.7313 0.4667 3.9217 0.1020 1.1609 0.1652 9.9156 0.6990 0.5691 0.6717 0.8757 0.3043 0.3031 1.3756 0.1020 0.4752 0.6121 0.3254 7.0304 1.5906 0.2104 1.4768 6.5737 0.5591 2.8754 0.1020 1.7039 0.7523 4.9621 0.1020 1.3587 0.8090 3.2370 4.1189 2.5852 1.6282 0.7760 0.7790 0.3134 3.4861 0.1020 1.8018 0.2243 0.2558 3.1788 0.1276 3.0616 0.1020 0.1467 5-dodecenoate (12:1n7) 0.9479 2.5715 1.8326 0.7984 0.9717 1.0089 1.1236 0.5528 0.8409 1.1506 2.2701 0.7322 1.5246 1.8893 1.1763 1.3159 0.4901 0.7698 0.4114 2.2619 0.6707 1.0017 2.0770 0.5988 1.0180 1.0000 0.7206 0.7711 0.9259 0.5145 0.6183 0.5300 1.4834 2.7281 1.1163 0.9350 1.2849 0.4138 0.5809 0.8331 0.3955 1.3907 0.6185 0.9360 0.6116 0.8955 0.7475 1.1550 0.2781 1.3621 1.4867 0.2653 1.3468 0.8103 0.8143 1.0538 1.1853 1.0351 1.3994 1.4772 0.6005 2.4379 1.6339 0.7008 1.0660 1.0769 0.8781 1.1608 0.4464 2.8041 3.2867 2.6232 0.7085 1.6371 0.7971 0.2315 1.9170 1.1479 1.9130 0.9474 2.3128 1.4112 1.8963 0.7969 0.8862 0.3773 0.8779 1.0766 0.9229 0.3817 0.6961 0.5537 0.7312 0.6862 0.3286 1.3255 3.0003 1.2000 1.2958 0.9504 0.8590 0.4488 0.9669 1.4997 0.6883 0.8371 0.8425 1.2453 0.8848 1.9074 1.6181 0.9998 1.2464 1.2049 1.1634 2.2795 0.7160 1.0504 0.8866 0.8291 2.0978 1.8942 0.6697 0.9117 1.0594 1.1799 1.1588 1.0973 3.5875 1.4434 0.6745 5-dodecenoylcarnitine (C12:1) 1.3801 2.4682 1.1236 1.0000 1.0114 1.0544 1.1527 0.4314 0.9840 1.3170 2.1116 1.0111 1.3810 1.1765 0.7934 1.0277 0.7009 1.9611 0.5688 1.1028 0.7224 1.9861 1.3237 0.2836 0.7567 0.3659 1.9330 0.6528 1.1236 0.2114 0.4448 0.7733 0.8462 1.7179 1.7821 1.0633 1.8478 0.2114 1.0221 1.1919 0.7576 1.3749 0.4600 1.6838 0.5133 0.9402 0.2815 0.8515 0.4433 1.5053 2.1345 0.2114 0.7816 0.7242 0.3340 0.5095 0.3016 1.3221 1.2577 0.2114 0.4018 1.4232 0.6946 1.0511 0.2761 0.7514 0.4654 0.7258 0.2545 0.9616 1.8272 1.4172 1.3532 1.0067 0.9184 0.2114 0.4371 0.5384 0.7625 0.4130 0.9798 0.9928 0.7801 1.1688 0.5216 0.9483 0.6616 0.6347 1.1388 0.5300 1.0278 0.9727 0.2729 0.2603 0.2539 1.5546 2.1338 0.6796 1.1891 2.5179 0.8121 0.9812 1.2242 2.4590 0.8987 1.7953 1.2682 1.5769 1.4115 2.1605 1.9628 1.2551 1.7664 0.6978 1.8681 2.1234 1.0715 1.0530 0.8495 0.8944 1.6079 1.1025 0.8840 0.9031 1.1725 0.8165 0.9351 1.8061 3.7086 1.6800 0.8223 5-hydroxy-2-methylpyridine sulfate 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 2.4678 0.3869 0.7107 0.3869 0.7689 0.3869 0.3869 0.3869 0.3869 0.4416 0.3869 1.0416 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 2.4718 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.5163 0.3869 0.3869 0.3869 1.0704 0.3869 0.3869 0.3869 1.4438 0.3869 0.3869 0.3869 0.6450 0.3869 0.9487 0.3869 0.3869 0.3869 0.3869 0.3869 5.4861 0.3869 15.4703 0.3869 1.0000 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 1.0919 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3941 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 1.0827 0.3869 0.3869 0.8207 3.0161 0.3869 0.3869 53.9347 0.3877 0.6531 0.3869 0.3869 0.3869 0.3869 0.3869 0.9682 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 1.3121 0.3869 0.3869 5-hydroxy-6-methoxy duloxetine sulfate* 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 1.1556 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 0.8444 5-hydroxyhexanoate 0.5581 0.3140 0.3140 0.5746 2.1807 0.3140 0.3140 1.1285 0.7362 0.3140 0.3140 0.8878 2.3265 0.3140 0.9168 0.8034 1.4725 0.3140 0.3140 0.3140 1.2387 0.3140 0.3140 1.0002 0.3140 0.3140 0.7741 0.3140 0.7232 0.3140 0.3140 0.9445 0.3140 0.3140 0.3140 0.3140 1.0193 0.3140 0.3140 0.3140 1.2267 0.3140 0.3140 0.7996 3.8170 0.3140 0.7755 1.1058 1.7081 0.3140 1.9680 0.3140 1.0000 0.3140 1.5686 1.4527 2.6352 0.3140 2.5003 1.3153 0.5052 0.3140 0.3140 0.3140 1.3230 0.6471 0.3140 0.3140 0.3140 0.9436 1.6555 0.3140 0.3140 0.8955 0.3140 0.3140 0.7703 1.0706 0.6628 0.3140 0.3140 2.0712 1.3666 0.7778 0.8326 0.3140 1.8056 0.4325 0.3140 0.3140 0.3166 0.3140 1.9319 0.3140 1.1246 1.4453 0.8572 0.6378 0.3140 0.3140 0.3140 0.6995 0.3140 1.3301 0.3140 0.3140 1.7329 1.3634 0.3140 1.7781 0.3140 0.3140 1.8846 0.3140 0.3140 0.4957 0.3140 0.3140 0.3140 0.9734 0.8854 0.3140 0.3140 0.5761 1.2939 0.3140 0.7518 0.3140 0.6689 0.3140 0.5307 5-hydroxylysine 1.5048 1.0698 1.5484 1.0136 0.9349 1.0280 0.6573 0.5840 1.3235 2.9631 1.1434 1.1471 1.5585 1.1547 1.4084 1.1695 1.1321 1.3636 1.1541 1.0717 1.4916 1.3859 1.3000 0.5594 1.0104 1.3138 1.5368 1.2065 0.7593 1.2379 1.0330 1.0880 0.7459 1.1406 1.4197 1.2672 0.7545 1.2322 1.0033 0.4706 0.7659 1.1595 1.4375 0.9492 1.9303 1.7263 0.7995 2.1396 6.1734 1.6809 1.2992 0.7415 0.4973 1.0534 0.2084 1.3666 0.6965 0.2084 0.6617 0.2084 0.3844 1.0105 1.3288 0.3378 1.3661 0.2084 0.4690 0.4233 0.3120 0.4097 0.3737 0.6076 0.3254 0.4262 0.8028 0.3152 0.8457 0.7010 0.5574 0.8797 0.5885 0.6732 0.5914 1.7188 0.5533 0.3494 0.6458 0.6730 0.4276 0.7846 0.7544 0.2084 0.2084 0.3748 1.7548 0.8196 0.6230 1.1177 0.4822 2.1876 0.2084 0.8341 1.1485 1.0638 0.9695 0.5471 0.9392 1.6644 0.6180 4.3443 0.8177 0.2084 1.3019 1.0924 0.2084 0.5958 0.9967 1.9195 0.7869 1.4106 0.3932 0.4964 0.9373 0.5644 1.8021 0.9763 0.2084 1.3809 1.9700 0.8988 1.0413 5-methylthioadenosine (MTA) 1.0221 0.7014 1.1626 1.0626 1.1435 1.1282 1.2996 1.1622 0.9394 0.9809 0.9067 1.4933 0.6493 0.5924 1.3364 0.3922 1.6670 0.8634 1.3133 0.7740 0.8286 0.7794 0.4527 1.1415 0.7026 0.4047 1.2194 0.8570 1.0313 1.0208 1.2165 1.3591 1.2499 1.0431 1.7915 1.0998 1.1446 0.8818 2.1297 0.2812 1.0661 1.0479 0.9167 1.2088 1.9458 0.8871 1.0354 0.9216 2.1392 1.1418 1.2163 1.0363 0.5389 0.6056 0.5504 0.7975 0.4946 0.6268 0.5896 0.3158 0.6233 0.6009 0.8725 0.5654 0.7824 0.6580 0.6163 0.6931 0.4515 0.5656 0.5548 0.3489 0.8058 0.6658 0.7525 0.6630 0.6980 0.7294 0.6892 0.5299 0.6965 1.0315 0.6584 0.7799 0.8541 1.0270 0.5099 0.7994 1.1325 0.9161 0.9069 0.6389 0.5953 0.5536 1.0909 1.5039 0.8298 1.4678 1.0000 1.5301 0.5675 1.6084 1.2094 1.3857 1.3569 1.1001 1.3216 1.6999 1.4725 1.8996 1.5381 1.0289 1.7189 1.2493 0.9577 1.5771 1.6355 1.9395 1.3138 1.3026 0.8047 1.2487 2.0316 1.6406 0.9677 1.1294 1.2667 1.9358 1.6630 0.9941 1.4800 5-methyluridine (ribothymidine) 0.7138 0.8632 1.0377 1.1107 1.1112 1.4760 1.0081 1.1111 0.8191 0.9355 1.1377 1.0537 1.0043 0.7585 0.7763 0.8200 1.2647 0.9448 1.2004 0.7971 0.9265 0.9637 0.9462 0.8149 0.9648 0.9249 1.1515 0.9221 1.1173 1.1285 0.8782 0.8723 0.9347 1.1038 0.9987 0.9400 1.2082 1.0857 0.7751 1.0467 1.0049 0.7178 0.7472 0.9072 0.7462 0.8987 0.9343 0.8944 0.9294 0.8594 0.8208 1.0997 0.8304 0.8826 1.1663 0.9636 1.0728 1.0882 1.0792 1.1831 1.0937 0.9221 1.1166 1.1313 0.9626 1.0023 1.1181 1.0080 0.8042 0.9514 1.0000 1.1610 0.6042 1.1322 0.9333 1.2487 0.7591 1.0877 0.8907 0.8000 0.8612 0.9952 1.1689 1.0411 1.0654 1.2835 0.6236 1.2561 1.1401 1.0791 1.0782 1.1209 1.2176 0.9017 1.5704 1.3236 1.1300 0.8518 1.3223 1.2504 0.8261 0.8854 1.0207 0.9541 1.1761 1.0478 0.9995 0.9211 1.2238 1.1193 1.5219 1.2790 1.1096 0.9314 0.9072 0.7957 1.3204 0.9429 1.3670 0.7838 1.0000 0.9009 1.2934 1.1926 0.7718 0.8614 0.9350 1.4423 0.9772 1.3320 1.0927 5-oxoproline 0.8911 0.8744 0.8911 1.3034 1.2010 0.8641 0.9684 0.8273 0.9016 0.9774 1.1868 1.0965 1.0913 1.0538 0.9713 1.3315 0.9815 1.0920 0.9692 1.1478 0.8407 1.1737 1.1744 1.0530 0.6838 1.2784 1.1203 0.6752 1.0216 0.9155 1.1322 1.2029 1.0329 0.9686 1.2269 1.0048 1.4255 1.3840 1.0087 0.8160 1.2096 0.8303 1.0129 1.0858 1.2897 1.1168 1.3054 1.0131 0.9780 0.9926 1.2691 1.0246 0.7449 1.2407 0.9269 1.0084 1.0818 0.8669 0.8395 1.3106 1.0491 1.1174 0.7224 0.9910 1.0762 1.0174 1.4654 0.8346 0.9973 1.0531 0.9792 1.0764 0.7015 0.8577 1.0234 1.3302 1.4523 0.9183 1.2718 1.0993 1.2104 1.0010 1.5604 1.1607 0.8916 0.8995 0.9973 1.3243 0.8799 1.1613 1.2315 0.9843 0.9985 0.7461 0.9948 0.9940 0.5805 0.8434 0.7989 1.1157 1.0443 0.9771 0.6826 0.7797 0.9934 1.0477 1.1351 1.0087 0.8941 1.0546 0.8848 1.0000 0.8137 0.7469 0.9546 0.9968 0.7791 0.6817 1.0777 1.0259 0.6624 0.9205 1.0949 0.8536 0.7884 1.0356 0.6443 0.8465 0.8693 0.9100 0.8438 5alpha-androstan-3alpha,17alpha-diol monosulfate 0.3899 0.3899 1.8449 1.1903 0.3899 0.3899 0.3899 0.9894 0.3899 0.3899 0.3899 0.3899 0.3899 0.3899 0.3899 0.3899 0.7244 0.3899 0.9797 0.3899 0.3899 0.8481 0.3899 0.4873 0.3899 0.6607 0.3899 0.3899 0.3899 2.3181 2.7442 0.7857 0.8048 1.1557 1.1957 0.6212 0.3899 0.3899 1.3668 0.6143 0.3899 0.3899 0.6011 1.8728 1.8324 0.8289 0.9413 0.8125 2.1827 1.0224 0.8337 0.3899 0.6713 1.2383 0.5228 0.3899 0.3899 0.3899 0.3899 0.3899 0.3899 0.3899 0.3899 3.4299 0.7528 1.0789 1.4656 1.0000 0.3899 1.2711 0.6571 0.6568 0.4457 1.1239 0.3899 1.5837 0.3899 1.0829 0.6038 0.5064 0.3899 0.3899 2.0734 1.8578 1.4885 0.8436 0.3899 0.3899 0.3899 0.3964 1.7471 1.2719 2.8167 1.3978 1.1350 0.7296 0.4252 0.3899 0.3899 0.3899 0.3899 1.2018 0.4893 1.5854 1.0456 0.7009 0.3899 0.5603 1.1110 2.6285 0.3899 0.4579 1.2285 0.8173 1.0999 0.3899 0.4373 0.6913 1.1428 0.3899 0.3899 0.3899 1.0867 0.3899 0.3899 0.9072 0.3899 0.3899 0.3899 0.6307 3.5151 5alpha-androstan-3alpha,17beta-diol disulfate 0.2840 0.2840 2.3627 2.2125 0.2840 0.2840 0.2840 0.8445 0.2840 0.2840 0.2840 0.2840 0.2840 0.2840 0.2840 0.2840 1.2260 0.4086 0.3687 0.2840 0.2840 4.6119 0.2840 4.3219 0.6071 1.3235 1.8935 0.2840 0.2840 2.4931 2.3063 0.2840 0.6335 0.5923 0.9625 0.3209 0.2840 2.9144 0.8956 0.2840 0.2840 0.2840 0.2840 0.7656 0.9672 0.9845 0.2840 0.4909 0.3857 1.3837 0.2840 0.2840 0.9186 2.8241 0.2840 0.2840 0.2840 0.2840 0.2840 0.2840 0.2840 0.2840 0.2840 2.6644 0.2840 0.2840 1.7873 0.2840 0.2840 0.2840 0.4058 0.2840 0.2840 0.2840 0.2840 0.4539 0.8065 0.2840 0.2840 0.2840 0.2840 0.2840 3.5729 0.2840 0.6541 0.2840 0.2840 0.2840 0.4133 0.2840 0.2840 0.8632 1.8482 0.2840 0.2840 0.7483 2.8049 0.2840 0.2840 1.2767 0.2840 2.1557 0.2840 0.2840 0.7109 1.3338 1.1517 0.2840 0.2840 0.2840 0.2840 2.2289 0.2840 0.9466 0.8905 0.2840 0.8682 1.0155 1.5461 0.8010 0.2840 0.2840 2.0234 0.2840 0.2840 1.4348 1.1942 0.2840 0.2840 0.2840 1.7737 5alpha-androstan-3alpha,17beta-diol monosulfate (1) 0.7636 0.7158 5.7489 1.1545 1.1002 0.1144 0.4682 1.3205 0.5840 0.9026 0.2761 0.4467 0.1144 1.2337 0.5666 0.8811 0.3300 0.1144 1.5816 0.7252 0.1144 1.4491 0.3143 0.6655 1.3991 0.9192 0.1144 0.6183 0.1144 4.3653 5.1881 1.3212 2.2926 2.5392 1.0838 0.6333 0.1144 0.5707 4.2261 0.4451 1.3581 0.5982 1.8698 4.3354 1.1307 0.3540 1.3758 1.9535 2.0893 2.9100 1.2229 0.1144 0.7541 1.2360 0.6252 0.3081 0.1144 0.3379 0.7516 0.2334 0.1144 0.4676 0.6716 4.3044 0.5857 1.2871 1.2467 0.6944 0.3698 1.0073 0.8123 0.4435 0.6685 1.4592 1.5868 1.5018 0.7473 1.7033 0.6270 1.2870 1.0969 0.9927 2.0266 2.3356 1.8128 2.1744 0.1987 0.2552 0.4535 0.5587 1.3672 1.4002 2.6661 1.5645 1.4875 0.5401 0.4203 0.7207 0.7958 0.6035 0.5367 2.0270 0.6043 2.1066 1.2591 0.6462 0.9249 1.1194 1.7030 3.4934 1.4604 0.3297 1.6951 1.2505 1.0856 0.1144 0.5173 0.7301 1.3030 0.2481 0.1144 0.5761 1.3535 0.2186 0.1423 1.4680 1.3208 0.1144 0.1144 0.7605 5.9766 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 0.1875 0.1875 1.6938 2.2659 0.1875 0.1875 0.1875 0.7288 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 1.5923 0.3542 0.5370 0.1875 0.1875 3.9467 0.1875 3.9562 0.1875 1.6550 2.5955 0.1875 0.1875 1.2989 0.5601 0.1875 0.1875 0.1875 0.4585 0.1875 0.1875 4.5418 0.4700 0.1875 0.1875 0.1875 0.1875 0.4303 0.1875 0.8998 0.1875 0.2065 0.4907 0.1875 0.1875 0.1875 0.1875 2.2831 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 1.4389 0.1875 0.1875 2.2403 0.1875 0.7425 0.1875 0.2272 0.1875 0.1875 0.1875 0.1875 0.6743 0.1875 0.1875 0.1875 0.1875 0.1875 0.1875 4.9875 0.1875 0.1875 0.1875 0.1875 0.1875 0.3528 0.1875 0.1875 0.2487 2.9325 0.1875 0.1875 0.9932 5.0611 0.1875 0.1875 2.9513 0.1875 3.7569 0.1875 0.3732 1.2681 2.9059 0.6294 0.1875 0.2614 0.6598 0.2427 2.7244 0.3138 1.4013 1.0068 0.1875 1.1832 0.6088 1.3419 0.1875 0.1875 0.1875 1.4688 0.1875 0.1875 2.5732 0.4079 0.1875 0.1875 0.1875 0.2453 5alpha-androstan-3beta,17alpha-diol disulfate 0.2610 0.2610 1.9114 2.5946 0.2610 0.2610 2.0638 1.0263 0.2610 0.2610 0.4124 0.2610 0.2610 0.2610 1.1351 0.3788 0.3401 0.2610 1.9397 0.2610 0.2610 0.5084 0.2610 0.6586 0.8611 0.7223 1.4141 0.2610 0.2610 1.6747 3.1090 1.5700 0.5272 0.5154 1.1575 1.8085 0.2610 0.2610 2.1085 0.4399 0.7047 0.2610 0.2610 1.6016 1.6856 4.7716 0.4300 0.7793 3.6513 1.3726 0.5737 0.2610 0.8973 5.0226 1.6993 0.2610 0.2610 0.2610 0.5333 0.2610 0.2610 0.2610 4.6577 1.3952 1.8447 0.2610 1.3904 3.6589 0.2610 0.5323 1.7681 0.4617 0.4533 0.6032 0.2610 1.6370 1.5782 0.8618 0.3034 0.3445 0.2610 2.2846 3.3076 3.5141 0.8930 0.2610 0.2610 0.8879 0.2610 0.2610 2.7445 1.0000 3.6719 0.6395 1.1654 0.6232 0.2610 0.5555 2.6267 0.5124 0.2610 0.7192 0.6482 0.5712 1.3814 0.9912 1.0905 0.8675 0.9699 1.5868 0.5143 2.8846 1.8454 0.5024 0.9788 0.2610 0.3973 0.8764 1.7865 0.5976 0.2610 0.2610 4.6545 0.2610 0.4537 1.4124 0.2610 0.2610 0.2610 0.6728 5.7726 5alpha-androstan-3beta,17beta-diol disulfate 0.9265 0.6668 5.6788 2.4313 0.7332 0.0970 0.6392 1.8598 0.8669 0.9485 0.7739 0.5081 0.0681 1.0301 0.5647 0.2860 1.0837 0.4210 1.5402 0.4360 0.2582 1.6991 1.1058 3.1585 0.9708 2.0994 1.8520 1.0339 0.1525 4.8218 6.3410 1.4659 1.9951 2.3634 2.7055 1.1556 0.2183 2.4142 4.1995 0.7758 2.6010 0.3659 0.8776 1.7853 2.6603 1.0253 0.5681 1.4025 1.8883 3.2548 0.5842 0.1412 0.9747 3.1789 0.5670 0.2842 0.0505 0.2575 0.3741 0.1584 0.1191 0.3230 0.8521 2.1200 0.7273 0.6810 2.1252 0.6340 0.7554 0.8875 0.8175 0.3038 0.7953 0.6180 0.6920 1.7721 1.3469 1.3580 0.2499 0.6563 1.2036 0.5864 3.6268 1.6560 1.3015 0.9638 0.2395 0.4916 0.8674 0.3787 1.5182 1.3387 1.7657 0.4768 1.5860 1.2269 1.5115 0.6691 2.6881 2.7746 0.3437 2.1948 0.7808 0.4898 1.7757 2.5964 1.4746 1.4358 1.7252 1.6245 1.0949 1.6540 1.1475 1.0682 1.2449 0.2175 0.7616 1.6959 2.8179 0.4521 0.0505 0.5538 2.1804 1.1638 0.4922 1.7953 1.7215 0.0610 0.0768 0.3901 5.2119 5alpha-androstan-3beta,17beta-diol monosulfate (2) 0.7526 0.6054 5.3538 0.9743 1.0315 0.2320 0.4523 1.3407 0.6627 0.9428 0.2320 0.4512 0.2320 0.9364 1.1415 0.6940 0.2320 0.2320 1.4189 0.8321 0.2320 1.4288 0.2320 0.8871 1.6617 0.8994 0.2320 0.4965 0.2320 3.4519 3.7760 1.2692 1.7868 2.0455 0.9317 0.6870 0.2320 0.7858 3.0904 0.5236 2.0584 0.5268 1.3535 2.9295 0.8036 0.4791 1.4045 1.3036 2.5644 1.3415 0.7325 0.2320 0.8596 1.3947 0.9295 0.4206 0.2320 0.2320 0.7691 0.2320 0.2320 0.4025 0.6828 2.3803 0.8127 0.9115 1.2178 0.9466 0.5591 0.8819 0.8069 0.2320 0.4409 0.8898 1.4554 1.7663 0.6970 1.8075 0.7892 1.0706 0.6335 1.0257 2.5108 1.8331 1.5205 1.6963 0.2320 0.2320 0.5187 0.4455 1.3682 1.0648 2.1782 1.1795 2.1985 0.7518 0.6050 0.4547 2.4914 0.7134 0.2320 2.3082 0.9395 1.5126 1.6407 1.3191 0.9052 1.1338 1.6469 2.3151 1.3090 0.2320 1.6966 0.9091 1.2315 0.2320 0.5558 0.6605 1.3295 0.2320 0.2320 0.4051 1.3941 0.5335 0.2320 1.5855 1.2939 0.2320 0.2320 0.4842 4.3029 5alpha-pregnan-3beta,20alpha-diol disulfate 0.4394 1.1673 3.0291 0.7487 2.8586 0.1374 0.7460 0.5760 3.8139 0.5562 1.4543 5.6210 0.6785 0.8640 0.7737 0.4087 1.2798 1.1876 1.5030 0.9004 0.9006 0.9803 0.3989 1.0000 6.9938 0.7553 1.3353 2.7473 0.9852 3.7716 1.8856 2.1592 0.5193 1.6703 1.4585 2.3645 1.1261 1.2342 1.4483 1.9175 0.3754 2.6132 0.9017 0.9860 2.2865 1.6534 0.9061 0.3187 2.0354 0.6645 0.9501 0.8403 1.0632 1.5547 0.5858 0.5506 0.4569 0.1676 0.9676 0.9789 0.8602 0.4118 3.4011 3.3616 11.8610 3.4169 0.7905 29.2842 0.4924 1.4815 5.3752 0.4540 0.7307 3.5119 1.2775 1.4937 1.6349 13.8309 0.7257 0.4153 0.5522 1.9299 0.7993 2.7293 1.9141 4.7387 0.3630 0.7317 0.8645 0.2477 1.3526 3.3442 3.0078 0.6966 1.9280 1.1210 0.3691 1.0506 2.6060 1.3038 0.3147 0.4249 1.2316 0.3044 1.0911 1.4770 1.6047 1.8177 0.5944 0.8040 0.7075 1.6004 0.8198 0.5438 1.9677 0.8306 0.7980 1.5736 0.8595 1.9180 0.8163 0.5923 1.8888 0.3807 1.0869 0.6510 0.8318 0.1883 0.8102 1.2290 3.4427 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 0.4426 1.0109 2.6372 0.5329 4.9976 0.2495 0.4205 0.5179 2.4227 0.4032 1.1552 8.0145 0.5987 0.6361 1.2055 0.8435 1.2423 0.7887 1.0250 0.8845 0.3904 0.8963 0.2495 0.7397 3.8454 0.6589 1.4329 1.6928 0.5427 2.4208 0.9516 1.9398 0.2590 1.3996 0.6957 1.5035 1.9628 0.9802 1.0643 1.8272 0.5451 2.3257 0.6502 1.1316 0.8859 1.3204 1.5865 0.2992 2.6747 0.2495 0.6698 1.1479 0.5638 0.8221 0.9623 0.8573 1.3544 0.2495 1.3124 1.4235 1.3665 0.4509 2.5027 2.7804 14.0214 4.2866 0.7217 44.0107 0.6005 1.4087 5.2797 0.6948 0.3140 4.6462 2.4929 2.0724 0.5133 22.4119 2.1501 0.4929 0.3215 2.5088 1.1297 2.7893 1.8163 4.4035 0.4061 0.4778 0.8296 0.2862 1.5420 1.7857 6.2563 1.0812 1.8959 0.8761 0.4571 0.8168 2.4617 1.7157 0.3670 0.7660 1.3201 0.7520 1.3991 2.1779 0.9891 1.6570 0.5653 1.5155 0.7823 1.3563 1.7216 0.4644 2.1345 0.4139 0.5296 0.7657 0.6325 0.8506 1.0152 0.4945 1.0528 0.4611 0.9743 0.8430 0.3638 0.3685 0.8344 0.9311 1.9007 5alpha-pregnan-3beta,20beta-diol monosulfate (1) 0.4408 0.8963 2.2424 0.3672 3.3262 0.2056 0.3498 0.7592 2.5491 0.4045 1.0059 15.5123 0.2688 1.5405 0.8577 0.5038 0.9670 0.8199 0.9212 1.1761 0.7326 0.8594 0.3297 0.4792 4.0562 0.2056 0.6548 1.8790 0.7478 3.7239 0.6566 1.0640 0.5715 1.5814 0.7940 1.0683 1.1934 1.0131 1.1639 1.0305 0.2056 1.5723 0.5797 1.0739 1.1200 0.6641 1.1041 0.9383 0.8205 0.3630 0.7600 0.4042 1.2033 0.8991 0.6870 0.4140 1.2866 0.2056 1.2047 0.9908 1.0779 0.4565 1.6200 5.5079 3.9175 3.3810 0.9855 27.7623 0.6052 2.0703 6.3936 0.4117 0.7492 3.0227 1.0965 1.4456 0.9746 18.2943 1.2724 0.6005 0.4583 2.1799 1.8146 2.9353 1.7344 3.2655 0.2796 0.2056 1.2111 0.2056 1.0574 2.8299 4.0290 1.2353 1.2962 1.2714 0.5736 1.0306 0.6356 1.0843 1.0161 0.5681 0.5637 0.5794 1.2361 1.4306 1.3613 2.4522 0.6482 1.5105 0.8985 0.9561 1.1722 0.5739 3.0066 0.7548 0.9941 0.9439 0.9072 1.4180 0.6874 0.5824 1.3854 0.3009 0.6488 1.3847 0.7274 0.4763 0.4246 0.8562 2.6509 5alpha-pregnan-diol disulfate 0.4752 0.6098 0.4752 0.4752 0.5035 0.4752 0.4752 0.4752 1.7309 0.4752 0.4752 7.8368 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.6222 0.4752 0.4752 0.4752 0.4752 5.2706 0.4752 0.4752 1.1253 0.4752 3.5595 0.6501 0.4752 0.4752 0.9813 0.4752 0.4752 0.4752 0.5104 0.4752 0.4899 0.4752 0.6510 0.4752 0.7261 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.8105 0.7070 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 1.2932 3.3738 1.2501 1.2107 0.4752 15.4516 0.4752 1.1155 2.9070 0.4752 0.4752 0.4752 0.4752 0.4752 0.6660 7.7772 0.4752 0.4752 0.4752 0.7806 0.4752 0.6783 0.4752 1.4312 0.4752 0.4752 0.4752 0.4752 0.4752 2.2112 1.3436 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.9587 0.6306 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.9729 0.4752 0.4752 1.0187 0.4752 1.5927 0.4752 0.4752 0.6432 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 0.4752 1.9092 6-bromotryptophan 0.8165 0.9428 0.8597 1.3326 0.8570 1.2829 0.5638 0.6191 1.0182 0.6918 1.3177 1.1880 0.7468 0.7655 0.7673 0.8491 1.1624 1.0080 0.6793 1.2297 1.3655 1.4106 0.8890 0.4506 0.8820 0.9617 0.9877 1.1189 1.2742 1.3547 0.9987 0.9568 0.5197 1.1214 1.5372 1.3050 0.9883 1.0118 1.3080 0.9103 1.1281 1.1238 0.9291 1.5261 1.1782 1.5679 0.8050 1.2180 0.6058 1.0323 1.0758 0.5815 1.1307 0.7160 0.7321 0.8294 1.0631 0.8343 0.5828 0.9593 1.1569 0.8739 0.7550 0.9718 1.0153 1.1541 1.4320 0.8982 1.2354 1.4111 0.9775 0.7136 0.8555 0.8293 1.0324 1.0976 0.3673 0.6190 0.8263 0.9043 0.6639 0.9745 1.2241 1.2549 0.8614 1.2214 0.8438 1.1125 1.0281 1.1742 1.2855 0.9843 1.1215 0.8561 0.9881 1.2439 0.9326 0.5725 1.2070 1.7116 0.8003 1.0623 0.7225 1.2309 1.1342 1.5733 1.0519 1.3029 1.5837 0.9111 0.8437 1.4948 1.0880 0.6078 1.0000 1.2468 0.6336 0.8314 1.0096 1.0474 0.8481 1.0607 0.9579 1.4025 1.1234 1.1310 0.8891 0.3867 0.9964 1.7931 1.3383 6-hydroxyindole sulfate 1.0427 0.9351 0.8077 0.8629 1.4678 1.5798 1.6024 1.3663 1.1421 1.1306 0.7599 1.6952 0.5865 0.7748 3.2428 1.6844 2.2646 1.4383 1.4653 0.3946 1.4652 0.8123 1.0868 0.9033 0.6396 0.4557 0.9520 0.4265 0.5254 1.0950 1.5398 2.0680 1.5367 0.9533 1.1956 0.7164 1.5977 1.0000 2.9317 0.9120 0.7618 2.0445 0.6718 0.4720 2.3821 0.6105 0.9821 0.4175 4.3669 0.6965 0.8054 1.8675 0.8231 1.1153 2.0497 0.8030 0.9682 0.3053 0.7158 0.9416 1.1591 1.4061 1.2631 1.6249 1.6040 1.0811 2.1234 0.5441 0.7548 1.2761 0.7409 0.5894 0.9531 1.7646 0.4490 0.9569 0.5310 1.2016 1.2611 0.5923 0.8611 0.8009 0.9002 0.8699 1.7853 0.4854 1.8188 1.9697 0.4941 2.2396 1.6871 1.5368 1.2372 1.0091 1.3824 1.9762 0.7231 1.3976 0.9123 0.2162 2.0103 1.4215 0.7162 0.8419 1.4238 1.0014 1.3559 2.2734 1.3924 0.8129 0.3426 0.4954 0.9546 0.1665 1.2808 0.7816 2.5932 1.1673 1.1534 0.7546 0.5974 1.1835 1.5253 0.4958 0.7951 0.8545 0.6464 1.3077 0.8791 1.5670 0.2493 6-oxopiperidine-2-carboxylate 0.7773 1.1440 1.0843 1.0000 1.1099 0.9378 0.8492 0.5755 1.1327 1.0253 1.4428 1.0564 0.8840 0.7713 1.1909 2.6061 1.5500 1.0110 1.7514 0.4863 0.6363 0.9331 1.0783 0.6779 1.1817 0.6821 1.1037 1.0340 0.7956 1.4675 2.2984 0.6377 1.2981 2.0928 1.3080 1.0653 1.1108 1.2765 1.3432 2.1418 0.8655 2.3327 1.2753 1.2327 1.5455 1.2634 1.6011 1.7546 1.5616 0.9734 0.6161 0.9658 0.8539 0.9567 0.6395 0.7424 0.8038 0.6449 0.8314 0.4595 0.8365 0.6552 0.6444 0.7599 0.8001 0.8671 1.0524 0.6412 0.5906 0.9024 0.3848 0.4698 0.7638 1.6920 0.5862 0.8557 1.4924 0.5205 1.0773 0.4432 0.6095 1.0130 1.0263 0.8141 0.2443 0.6865 1.1519 0.8362 0.5638 0.6485 1.1320 0.8492 0.9584 0.5398 1.1081 1.0048 0.8978 1.8573 1.1019 1.1032 1.1491 2.4199 0.4073 0.7923 0.9846 1.0801 1.0272 1.1622 1.1928 0.6795 0.7092 0.6793 0.8558 0.9677 0.8032 0.8057 2.4201 1.2124 1.1013 2.0266 1.0808 1.4239 1.2952 1.0634 0.9474 1.2438 1.2590 0.9186 0.8584 1.0060 1.1070 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 1.0248 1.1800 1.6397 0.7290 1.3452 1.6671 0.8714 0.8332 1.0840 1.0767 1.3462 1.3388 1.1363 1.4506 0.5394 1.2757 0.9651 0.9605 1.2801 1.4587 1.0030 1.5457 1.3099 0.8189 0.7883 1.2690 0.9526 0.8356 0.8617 1.5587 1.7855 0.8113 0.8399 1.3077 1.5169 0.7837 0.9520 1.2870 1.2969 0.4948 1.4187 1.0251 0.9480 1.3630 0.7739 0.8072 0.8430 4.5889 0.6763 1.3302 0.9253 0.6519 0.5182 0.6083 0.5597 1.0617 1.0099 1.1386 0.5558 1.0067 0.6949 1.0531 1.0372 1.4805 0.7554 0.6349 2.2687 1.0348 0.7074 1.2488 0.9215 0.7523 0.4730 1.0176 1.2506 1.8040 0.8012 1.1391 1.0783 0.8735 0.9972 1.0893 1.2110 0.7062 0.8236 1.0559 0.7364 0.9658 0.9600 1.0000 0.8692 0.6451 0.8540 0.8909 0.8474 1.8353 1.3938 0.6467 1.0906 1.1088 1.2120 0.8031 1.0097 0.9019 0.6700 1.3336 0.8270 0.9737 1.2974 0.9742 2.2591 0.9343 1.1165 1.6028 0.9044 1.5733 0.9198 1.6973 0.8527 1.0251 0.8974 0.7400 0.7807 2.2156 0.8640 1.7856 1.5842 0.8161 1.2206 0.8552 0.7360 7-methylguanine 1.0717 1.1932 0.9489 1.1917 0.9769 1.3232 0.9397 1.2592 1.1752 1.0852 1.1862 1.5930 0.9963 1.3475 0.9032 1.0670 1.7061 1.0595 0.9321 1.2888 1.3822 0.9399 1.2717 0.9499 1.0892 1.0262 1.0489 1.0430 0.7871 0.8307 0.9570 1.2199 0.9796 0.8994 1.0522 0.9927 0.9792 1.0210 1.1730 0.7988 1.1816 1.0839 0.8381 0.9389 1.1432 0.9291 0.7551 1.4251 1.2263 1.0543 1.2139 0.9005 0.8030 0.9301 0.9607 1.0364 0.8427 0.7268 0.8764 0.6915 1.1486 1.4645 0.9642 0.9656 1.0526 0.7094 0.9972 0.8944 0.7849 1.0321 1.1812 1.0817 1.0214 0.7611 0.7215 1.1434 0.9188 1.0813 0.8657 0.8537 1.0000 1.0381 1.1787 1.1535 1.2447 0.7811 0.7767 0.8603 1.5200 0.8057 0.8279 0.9900 0.8798 0.7289 1.0723 1.1235 0.9096 0.9261 0.9468 1.4014 1.0625 1.0596 0.9707 0.9736 0.9543 1.0785 1.0116 1.2525 0.9791 1.3060 0.8438 1.0501 1.1761 0.8691 0.8291 1.6420 1.0492 1.0736 0.9307 0.9600 1.0724 0.7865 0.9522 0.9219 0.8179 1.1364 0.9063 1.2666 1.5027 1.0264 0.9631 7-methylurate 2.9995 0.7361 0.9929 0.2770 0.2770 3.6447 2.2761 0.2770 2.5817 1.0963 1.0899 0.7066 1.3656 2.0316 0.8295 2.4321 0.7420 0.2770 0.2770 0.6061 2.2267 0.2770 0.2770 0.2770 0.2770 0.7066 0.2770 0.5792 0.2770 0.4139 0.2770 0.5660 0.8336 1.0790 0.6509 0.2770 2.5097 0.2770 1.5355 0.2770 0.2770 0.2770 0.8650 1.1340 1.0334 1.2303 0.2770 0.2770 2.2803 0.6083 2.5952 4.4119 1.3470 1.3160 4.5144 0.7825 1.6201 0.9562 0.6844 0.2770 0.2770 1.6856 3.3873 0.5881 0.2770 0.2770 1.7065 0.2770 0.2770 0.2770 1.0071 0.8798 0.8574 0.2770 0.2770 0.2770 0.9193 0.6854 0.7661 2.7633 0.2770 0.7128 4.5364 0.4841 0.2770 0.2770 0.5648 0.7797 0.5326 2.9005 3.4962 0.2770 0.4277 0.2770 4.8687 0.7147 0.2770 0.2770 0.5579 1.1256 0.2770 0.8775 1.4186 0.2770 0.6979 0.2770 0.2770 0.9715 0.2770 0.4822 0.2770 0.2770 2.2808 0.5421 0.2770 0.7741 1.6031 0.2770 0.2770 0.2770 0.2770 0.2770 0.2770 0.2770 0.2770 0.2770 0.2770 1.1180 0.7304 1.5409 2.5249 7-methylxanthine 2.5850 0.5457 0.4263 0.1422 0.1422 2.4304 2.8476 1.7056 2.0900 1.0151 1.4046 0.2403 1.6010 2.0926 0.6275 1.5220 0.1422 1.2586 0.1422 1.3670 1.6331 0.3648 0.4875 0.5586 0.5119 1.1313 0.1422 0.3454 0.1422 0.1422 0.1422 0.1422 0.1422 1.5933 0.4918 0.1422 2.1128 0.3447 1.0684 0.1422 0.1422 0.5018 0.5089 1.6967 4.1165 1.1147 0.4509 0.1422 1.1695 0.4215 1.7104 3.4586 1.7602 1.4894 3.4403 2.0938 1.6791 1.2164 0.9914 0.1422 1.0000 2.6859 3.6056 2.1096 1.1224 0.7713 2.0326 0.6652 0.4844 0.3660 2.8176 0.1634 0.6983 1.1590 0.4979 0.3665 1.6590 1.1749 3.1457 5.0886 1.2135 0.7384 1.9381 0.3858 1.5169 0.1422 0.8846 0.7750 0.9610 3.6398 5.8811 0.1422 1.0011 0.6765 7.3424 0.7106 0.1422 0.1422 0.6026 0.4447 0.1422 0.8821 2.4500 0.4330 0.6285 0.5206 0.3089 0.3601 0.2930 0.3609 0.2031 0.1422 1.3538 0.9070 0.2898 0.1422 0.8297 0.1422 0.1422 0.3225 0.1422 0.1422 0.1422 0.5895 0.1422 0.2483 0.1422 0.2617 0.7228 1.7586 1.4158 8-methoxykynurenate 0.3511 2.1892 1.0911 1.8393 0.3511 0.3511 0.7782 1.1633 0.5232 0.7435 1.5881 0.9347 1.1962 1.2973 1.4578 0.3511 2.0159 0.8860 2.4289 0.6076 1.8188 1.2972 0.9963 0.3511 2.1517 0.8226 1.5161 1.4580 0.3511 0.9971 1.2517 0.4939 0.7632 0.9244 1.1316 1.3759 0.6101 2.5392 1.1753 1.0305 1.0473 0.9920 0.3511 2.9946 0.8949 1.6879 0.5642 2.0893 2.3619 1.4915 0.9411 1.0841 1.4875 0.3511 0.6299 0.5676 0.3511 0.3511 0.5834 0.3511 0.5002 0.3511 0.6725 0.6169 0.4708 0.3511 0.3511 0.6109 0.3511 0.4956 0.5909 0.3511 1.5090 0.3511 0.6342 0.7761 1.0166 0.5946 0.3511 0.3511 2.1348 0.9930 0.4117 1.0029 0.3511 0.5486 0.8960 0.5929 1.4382 0.3977 0.3511 0.9199 0.4875 0.3511 2.1004 0.9237 1.2382 0.7110 1.0523 1.7943 0.6770 1.2722 0.8376 0.7146 0.7604 0.3511 1.1888 1.0400 1.2865 1.3172 0.6259 0.6279 0.9024 0.6122 1.3454 1.5318 2.0313 1.4773 0.3511 2.8874 1.1161 0.4900 0.6854 0.8011 0.3511 1.6435 1.2277 0.3511 1.1566 0.8734 1.1275 9,10-DiHOME 0.2729 1.0904 0.2729 1.0284 1.2025 1.4139 0.2729 2.9575 0.5985 1.1549 1.2310 3.3254 0.2729 0.9726 0.6186 0.8753 0.9407 0.2729 0.2729 0.4923 0.2729 0.6464 1.6947 0.7182 0.2729 1.1681 0.9245 0.2729 0.6022 0.2729 0.3471 0.2729 3.1514 0.2729 0.7765 0.6375 0.2729 0.2729 0.5955 0.8850 0.9104 0.2729 0.6526 0.2729 1.1841 0.8998 1.6313 6.0482 4.2109 0.2729 0.5730 0.2729 0.9156 0.7541 1.1989 1.6717 0.8478 0.8830 1.2611 2.9438 0.4064 0.5709 1.1435 1.0661 0.4585 1.0378 1.4801 0.6979 1.1833 1.1846 1.8374 1.5472 0.8432 3.0717 1.0218 1.0529 1.4472 1.5175 2.6869 0.2729 1.2005 0.6125 1.8351 0.6920 1.4036 0.2729 0.2729 1.5829 0.2729 0.8599 1.7528 0.7196 1.3001 0.8067 1.8204 1.6130 0.7662 0.4417 0.9577 0.7776 1.1309 1.0884 0.2729 0.9782 0.2729 0.9533 0.5096 0.8605 0.6038 1.4537 1.5110 0.2729 0.2729 0.7777 1.0257 1.2473 0.7500 0.2729 0.2729 1.2467 0.7835 0.7365 0.2729 0.8591 0.2729 1.0280 0.2729 0.2729 1.4387 0.8573 0.8552 9-hydroxystearate 0.9707 1.6029 1.3878 0.6641 0.8537 1.1576 1.3229 1.0000 0.5851 0.3125 1.6552 1.1059 1.1544 1.5362 1.1693 1.3834 0.4549 0.5887 0.6540 3.6356 1.0965 1.0402 1.8618 0.7640 0.9678 1.3939 0.4422 0.9494 0.7992 0.3125 0.8862 0.8524 1.6072 0.9760 0.7195 0.9970 0.6450 0.4917 0.6817 0.7769 0.5400 1.1296 0.5785 1.5257 1.1680 0.5301 1.2988 1.5232 0.9172 0.9873 0.5442 0.3125 1.4708 1.1801 0.4766 1.7280 1.3065 1.2823 0.3125 1.7219 0.9739 2.8072 2.1648 1.2659 1.9102 1.2343 0.8576 1.1696 0.7229 2.4954 1.9456 1.4721 0.6256 2.1974 0.9199 0.6500 1.3161 2.0719 1.7664 2.1112 1.3669 1.0146 1.3330 0.9885 0.8765 0.8052 0.5481 1.3440 0.9619 0.8046 0.8116 0.5861 0.7338 0.5133 0.3875 1.2998 1.2762 0.9806 0.7825 0.9045 1.1776 0.6024 1.2329 1.2697 0.7635 0.4926 0.6595 1.6697 0.8849 1.3989 1.9029 0.7552 1.5033 0.8953 0.4347 3.8508 2.0293 0.9547 0.8476 0.7214 1.2480 1.1483 0.9300 1.2776 1.5402 0.3125 1.8183 1.2411 2.3406 0.8587 0.8136 acesulfame 0.0122 0.7432 1.0004 5.7470 0.0122 0.0122 0.5434 14.2275 0.6358 4.3374 4.0314 0.0364 0.9996 0.8350 1.4304 3.7497 29.8184 5.5970 0.6117 0.1133 0.1355 0.7022 0.0697 7.5511 0.1912 0.0122 0.9584 3.1279 4.7556 5.1010 0.0122 0.0122 0.0122 10.5874 3.4536 2.9072 0.0122 0.0312 0.7597 4.7871 0.0122 3.4392 0.1572 2.0905 4.3763 1.9560 0.0122 0.0432 10.8927 2.6814 0.1732 1.0536 0.1122 3.1590 12.3698 0.2552 0.0122 0.0122 0.0122 0.0122 1.6970 0.0122 1.7981 0.0122 0.0661 0.0122 0.0738 0.0122 0.0122 1.3579 1.7480 0.6705 0.5849 0.0122 0.2228 0.1641 1.7058 0.3112 0.0122 1.5838 0.0122 0.1342 0.0122 0.0122 0.0122 0.0122 0.0406 0.0122 0.1226 9.2214 0.9363 0.0122 0.1755 0.0122 0.0122 0.0226 0.0122 1.8338 0.0122 0.0497 0.0633 1.2217 0.0122 2.5944 0.0122 0.0122 0.0122 0.0122 0.0122 0.1493 2.9557 0.0694 0.0368 0.0122 0.0122 18.1113 7.9302 0.6670 0.0122 0.0122 0.0122 0.0122 2.8045 2.2878 0.0122 0.0437 0.0122 0.0122 0.3271 0.0122 1.5687 acetoacetate 0.9293 4.7392 1.2190 0.3674 0.8579 0.3129 1.4296 0.9246 1.2458 0.7150 3.8622 0.2011 1.0452 5.0934 0.9933 1.0821 0.2978 1.6151 0.2011 0.3748 0.3791 3.7718 1.0042 1.0000 9.9447 0.4671 2.1955 4.1875 1.5975 2.8182 0.2011 0.2011 0.2011 5.3716 1.2614 0.2011 0.2011 0.2936 0.2419 1.9968 0.3539 1.6279 1.9754 3.6733 1.5542 3.6946 0.8585 1.8657 0.6940 1.4940 0.3861 0.6020 0.3651 1.9753 0.2700 2.1568 0.2011 0.2011 2.9660 0.2011 0.2011 0.2011 0.5426 1.7750 0.3191 0.3439 0.2011 0.3166 0.3596 0.6530 0.7220 1.2431 4.1961 0.7196 0.4129 0.5556 3.5098 0.9492 1.2179 0.2011 0.7056 1.9032 2.3464 0.5977 0.4447 0.2011 0.6085 0.5331 0.4469 0.2011 0.6132 0.2011 0.7127 0.3131 0.2923 4.4845 2.3853 1.7463 1.2646 0.8886 0.2011 1.9215 0.5441 0.5324 0.6341 2.3031 6.0094 0.5830 0.7519 1.0893 1.4523 0.2011 0.5304 0.9138 0.2011 0.2011 0.5985 0.8228 1.2055 1.3737 0.9714 0.2011 4.1435 1.1696 0.7098 5.1279 0.2011 2.2559 1.1217 4.6068 1.4364 acetylcarnitine (C2) 0.8956 1.3620 1.5393 0.7570 1.0195 0.9381 1.0951 0.8983 0.8067 0.6886 1.9385 0.8388 0.6133 1.1062 1.0273 1.0999 0.6125 1.0262 1.1258 0.6259 1.0046 1.0126 0.9265 0.6055 1.6343 0.5499 1.3710 0.8293 1.3136 1.5814 1.1509 0.8620 1.3097 1.9491 1.6563 1.1789 0.9105 0.6047 0.7535 2.0062 0.6553 1.0620 1.1562 2.0131 1.6104 1.1087 0.9579 0.4145 1.5641 1.0024 0.8154 0.6146 0.4876 0.8215 0.4618 0.7130 0.6476 0.9161 1.3211 0.4102 0.7414 0.6666 0.9147 1.1834 0.6711 0.8558 0.7691 0.7246 0.8014 0.7471 1.2580 1.0308 1.3957 0.8844 0.7001 0.7958 0.7944 0.8579 1.4356 0.4241 0.9185 0.9820 1.9927 0.9250 0.6752 0.9390 1.0620 0.9949 0.7503 0.6689 1.0685 0.6372 0.7776 1.0813 0.6575 1.7382 1.3270 0.9544 1.3236 1.0853 1.2908 1.1503 0.6941 1.1007 0.7385 1.4904 1.0033 1.0294 1.6730 1.6898 1.1548 1.0297 1.2858 1.0875 1.5573 1.2422 1.2309 1.0254 1.3499 0.9872 0.6432 0.9708 1.4313 0.9086 0.7751 1.3866 1.0000 1.4111 1.6255 1.5486 0.7180 acisoga 0.8183 0.8256 1.0366 0.7368 1.4009 0.8845 0.4202 1.1883 0.4202 0.4202 0.7447 0.5756 1.0515 0.6869 0.4202 1.1359 0.4202 0.9449 1.6058 0.5412 0.4721 0.9407 0.4202 0.4202 0.4202 0.7062 1.2008 0.9538 1.0402 0.9380 1.1105 0.8201 0.4202 1.5151 2.4241 0.5868 0.4202 0.6701 0.7816 0.9205 0.8072 1.0570 0.6305 1.0517 1.7995 1.0927 0.9536 0.4202 6.5187 1.1521 2.7566 0.4914 0.4202 1.0947 0.4202 1.1130 0.4202 0.9219 1.0727 2.2426 0.4202 0.7866 1.0034 0.6652 1.3727 0.7526 1.2779 0.6878 0.4202 0.4202 0.6016 0.8694 0.4202 1.0391 0.4614 0.6723 0.4202 0.7680 0.5210 0.9836 0.9967 0.5616 1.3115 0.7102 0.4202 1.6165 0.8442 0.8987 1.4622 0.6571 1.0519 1.0218 0.5852 0.6347 0.4202 0.8227 0.7489 1.0154 1.4061 0.7931 0.9918 1.2099 1.2721 0.6723 1.0061 1.6661 1.0204 1.6213 1.3695 1.5467 1.0919 1.2875 1.0828 0.7616 1.3291 2.1436 1.9630 1.6371 1.1402 0.7829 1.1739 0.5295 1.2789 1.8410 0.9155 1.9962 1.7395 1.2935 0.9733 0.4202 0.7694 aconitate [cis or trans] 1.2319 1.3221 1.2874 0.8481 0.3750 0.6515 0.8520 1.2189 0.9652 1.2407 1.4030 1.0225 1.4514 1.0705 0.9299 1.7363 0.9402 0.9199 0.8798 1.1190 1.0308 1.2035 1.2028 1.1856 1.3590 1.0248 1.0744 1.2160 0.9525 1.2447 1.0785 1.1452 1.3450 1.2202 1.1421 1.0869 0.8638 0.9196 1.1709 0.6571 0.7359 1.4495 1.0331 1.3753 1.6188 1.1024 1.0194 1.7123 1.4728 1.2247 1.1507 1.0000 0.6382 1.0881 0.6904 0.9246 0.8071 0.6912 0.7956 0.8563 0.6567 0.9554 0.8681 0.6666 0.8298 0.7882 0.9259 0.9798 0.5399 0.6814 0.7877 0.8880 0.8671 0.8622 0.6016 0.8541 1.2481 0.9028 0.8448 1.0184 1.0647 0.9426 1.2211 1.1706 0.7318 0.6988 1.0784 0.8470 0.7320 0.7725 0.6774 0.9068 0.9092 0.7012 0.7554 1.3709 1.1548 1.1571 1.0354 1.2434 0.9488 1.2799 1.0996 1.0312 0.9021 0.9600 1.0203 0.9490 1.0148 1.0998 0.9921 1.0536 1.2984 0.8054 0.9207 1.3571 1.2353 1.3641 0.7071 0.9564 0.6405 1.0696 0.8581 0.7438 0.8038 1.2316 0.7592 1.8277 1.2857 1.0440 0.9371 adenine 0.8835 1.3628 0.8982 0.5376 1.6866 0.8004 1.9163 0.9300 0.6974 3.2793 0.6675 1.0814 3.8626 0.7367 0.7889 2.2407 3.1529 2.8555 2.2364 1.4444 0.7239 2.8000 1.6995 0.9638 1.1781 3.0087 1.0954 2.7107 0.8265 1.1318 2.3782 0.8210 0.8190 1.5293 0.9928 1.5705 0.9884 1.7072 3.7817 0.4499 0.6566 0.8339 2.6470 1.8326 0.9065 0.6562 0.9826 2.9739 1.1854 3.1712 0.8156 1.5124 1.7210 0.7031 1.7623 2.8675 0.5341 0.5525 0.4548 0.4607 0.7617 1.0315 0.8471 1.3183 1.4683 0.7892 0.5203 1.1831 0.5704 1.1094 0.6042 0.5512 1.5263 0.7938 0.7066 0.8736 1.0961 0.6984 0.9621 1.5654 1.3113 1.7621 0.7919 1.0847 0.8010 1.1389 0.8523 0.9123 2.3663 0.8012 0.6065 0.4340 1.1838 0.4391 1.1774 0.7246 0.8181 0.8039 1.5127 2.3712 0.5790 1.1752 1.2221 1.0758 1.5782 0.5397 0.9978 1.0989 1.1290 0.7884 1.4417 1.2499 1.3500 0.9722 0.8742 0.6849 0.8803 1.0000 0.9016 0.8233 0.7146 1.0235 1.1719 1.1897 0.8881 1.1479 0.8995 1.2311 1.1568 0.7560 1.0336 adenosine 5'-diphosphate (ADP) 1.6531 1.2694 2.1083 0.1784 0.0512 0.0512 0.6162 0.8123 1.0966 0.0512 1.7061 1.3350 0.7207 1.3279 1.4503 2.0046 0.5659 1.7290 0.4766 1.3194 2.1707 1.7588 2.5029 0.1218 1.6818 0.8802 0.7405 1.2932 1.1933 1.5656 1.2727 1.2253 2.0268 2.5316 0.9622 0.7308 0.9297 1.6237 1.4613 0.9341 1.2467 1.1986 1.4911 1.6914 1.3598 1.3589 1.5702 1.3225 0.7085 1.8223 1.1283 0.6839 1.0614 0.5157 1.2220 0.6748 1.2934 0.7832 1.3033 0.6888 1.2073 0.2902 0.8462 0.5806 0.8950 1.0572 0.5667 0.8704 1.1464 0.2092 0.8129 1.1115 0.4427 1.2141 0.6908 1.7927 1.4987 0.2597 0.8789 1.4179 1.9333 0.3158 2.4147 1.3880 0.0800 0.9427 1.7487 0.9310 0.9147 1.0000 0.0512 0.8023 1.6422 0.0512 0.5794 0.3903 0.0512 0.2681 2.4244 1.1445 1.5141 0.2315 0.3980 0.0512 0.3131 0.6294 0.0512 1.0431 2.6232 0.2077 2.0876 0.7053 0.9413 0.6443 0.2488 0.0512 1.0218 0.0512 0.3955 1.3157 1.0820 0.9689 0.9617 0.3013 0.0512 0.6867 0.4302 0.4319 0.1302 0.3329 0.9383 adenosine 5'-diphosphoribose (ADP-ribose) 1.0126 1.0589 1.5868 0.3807 0.2710 0.5297 0.5923 1.0202 1.0001 0.2710 0.7835 1.2919 0.7145 1.4232 1.1756 3.0603 0.4597 1.4682 0.8381 2.3060 1.4337 1.8991 3.7132 0.6324 1.6242 1.5297 0.8574 1.3253 0.9169 1.1754 1.4374 1.1554 1.1168 1.9525 0.9317 0.7182 0.9904 1.1667 1.1433 0.8179 1.5301 0.8344 1.0882 1.8797 0.9633 1.2106 1.3414 1.2954 0.8985 1.5903 0.8984 1.0354 0.9707 0.4172 0.7838 0.8271 0.7376 0.4314 0.9497 1.0982 1.7058 0.7045 1.1596 0.6164 0.7644 0.8741 0.8311 0.9747 0.4780 0.5165 0.9821 1.9635 0.5074 1.2960 0.5195 1.0309 1.1596 0.7106 0.9725 1.3474 1.3492 0.6786 1.4343 1.1631 0.3032 1.1651 1.2686 1.1860 0.9323 1.0273 0.2710 0.9506 1.1467 0.2710 0.6888 0.3707 0.2710 0.5833 1.6208 1.3369 4.1209 0.2710 0.4055 0.3805 0.2710 0.7995 0.2710 1.1086 2.3915 0.6147 1.5704 1.5286 0.7673 0.7462 0.2710 0.2710 0.8231 0.2710 0.3718 1.5785 1.0321 1.3136 0.9999 0.4269 0.2710 0.7636 0.6733 0.2710 0.2710 0.4420 1.1972 adenosine 5'-monophosphate (AMP) 0.9743 1.3126 2.1252 0.2417 0.0169 0.6570 0.5135 0.7372 1.0028 1.2256 0.8840 1.5458 1.4954 1.3038 1.3752 4.1941 0.7874 0.9456 0.7163 1.8861 1.4981 2.3608 3.6351 0.5903 1.4839 2.2610 0.8008 1.2317 1.0824 1.4006 0.9918 1.8667 1.4129 1.7468 0.6541 0.8907 1.4623 0.9934 1.3376 0.4323 1.0070 1.0000 1.3410 1.5062 1.3279 1.0139 1.0518 1.7892 2.4756 2.1280 0.8518 1.3691 0.8977 0.5182 1.2891 1.0888 0.9785 0.4800 1.2021 0.9473 1.9315 0.8323 2.0241 0.7157 1.3210 0.8384 1.1610 1.0322 0.9909 0.6689 1.0862 1.2001 0.6994 1.6171 0.6027 0.8954 1.5140 1.1074 1.3528 1.5226 1.2857 1.0499 1.6100 2.4710 0.3305 1.3883 2.0207 2.9331 0.8457 1.8662 0.2457 0.7868 1.5112 0.2028 1.0283 0.5439 0.4106 0.7152 1.2857 0.5223 3.7674 0.3394 0.3369 0.3803 0.3319 0.5256 0.1488 1.2938 1.3804 0.4371 1.7978 1.1754 0.6873 0.7431 0.4572 0.2548 0.7450 0.3611 0.3659 1.2209 0.8931 0.6814 0.8600 0.3790 0.1738 0.6556 0.4558 0.5726 0.3063 0.4120 0.6164 adipoylcarnitine (C6-DC) 1.6900 2.2072 5.0725 0.6622 0.4780 6.5833 1.4672 1.0957 0.6396 0.5803 1.0990 1.3143 1.1116 1.5963 1.7185 3.4052 1.3572 1.9362 1.4744 0.6750 0.3093 1.3101 0.4881 0.7574 1.7017 0.9507 1.6095 4.8034 5.7956 1.6350 2.6824 1.1376 0.9189 1.5591 3.8799 1.8354 0.9977 0.8916 1.5249 4.7949 0.6329 2.0650 1.0475 2.7661 1.7748 1.1894 1.0305 1.4466 2.7454 1.3058 1.2775 0.2431 0.3581 1.2657 0.2084 0.5348 0.2387 0.5445 1.7264 0.4229 1.1486 0.5034 0.7905 0.8730 0.3723 0.4093 0.4864 0.4764 0.2084 0.2127 0.3559 0.5883 0.5335 0.6200 0.2153 0.6024 0.6531 0.6566 0.6069 0.4096 0.2122 0.2523 2.0639 0.8315 0.4495 1.0232 0.5426 0.6529 0.2182 0.7273 0.4762 0.9656 0.7816 0.3366 0.6545 1.7788 0.6493 1.4250 1.7308 1.2823 1.0856 0.5873 0.8345 1.3805 0.7186 0.8713 2.0842 1.2054 0.7284 0.8729 0.8563 1.6751 1.0680 1.5925 1.4273 0.7581 0.4733 0.4832 1.2506 1.1075 0.4751 1.1150 1.4100 1.0849 0.8201 1.0023 0.8082 2.1762 2.7571 2.1371 1.0846 adrenate (22:4n6) 1.4416 3.1942 3.6558 0.5658 1.8019 1.2398 0.7783 0.6797 0.6144 1.1803 3.9932 0.8823 3.5487 1.7155 1.8266 2.2933 0.2483 1.2358 0.8786 1.3212 0.8134 1.8340 1.3589 1.5947 3.6494 0.7820 0.8683 1.3899 0.6265 1.9992 1.0480 0.8020 0.9798 1.2602 1.5463 0.7926 1.0303 0.5328 0.8126 1.1052 0.4758 2.2044 0.9679 1.0999 0.8467 1.3405 0.8664 1.2617 0.4788 1.0000 0.9554 0.5718 0.5996 0.3673 0.4923 1.4561 0.9432 0.6721 0.6659 0.5605 1.0752 0.7967 0.7710 0.4442 1.2096 0.9905 1.0670 0.8027 0.6519 1.2409 1.0357 0.4628 0.8003 0.7893 0.4841 0.4019 1.6658 0.7486 1.3655 0.4684 1.0483 0.8206 1.0872 0.8197 0.7091 0.4269 1.2945 1.2040 0.6868 0.8019 0.7312 0.3674 0.8357 0.2155 0.1674 1.6074 3.2381 1.1629 1.5204 0.6652 0.9736 0.6766 0.6297 0.9650 1.1697 0.8119 2.2403 1.2047 1.0887 1.2517 1.3329 1.3898 1.0595 1.9362 1.3056 1.2633 0.8928 2.3730 0.8218 1.7276 0.9652 1.2504 0.7557 1.4370 0.8688 2.1000 1.5508 1.8648 1.7307 1.5784 1.7664 alanine 1.3270 0.8223 1.0884 1.0470 1.3291 1.0301 0.9573 1.1562 0.9581 1.2659 1.1407 1.2095 1.0921 0.8980 0.9432 1.0009 1.0580 1.0039 0.8499 1.0495 1.0918 0.9892 1.0250 1.1992 0.7108 1.0909 0.9647 0.7893 0.8013 0.8720 1.1794 1.0814 1.5012 0.8985 1.1632 0.9763 1.0812 1.0269 1.1857 0.8169 1.1736 1.1140 1.1867 1.0635 1.2595 1.0598 1.1359 1.5350 1.4043 0.9349 1.3511 0.9880 0.7473 0.6187 0.8876 0.7924 0.9865 0.6804 0.7418 1.0567 1.4282 1.2012 0.8198 0.8748 1.0700 0.8214 1.0144 0.8079 0.9371 1.2079 1.0750 0.8121 0.6648 0.9920 1.0780 0.9086 0.7102 0.8457 0.8220 0.9888 0.9033 0.9799 1.0404 0.8069 0.8249 0.9295 0.7997 1.0434 0.9173 0.9459 0.8065 1.1095 0.7868 0.8756 1.1718 0.9498 1.1197 0.9940 1.0655 0.8952 0.9771 0.9732 1.2531 1.0208 1.0971 0.9600 0.7609 1.1228 1.3276 1.2575 1.1277 1.1064 1.1008 1.0925 0.7890 0.9135 1.0928 1.1416 0.9325 1.0000 0.7526 1.1119 0.8285 0.7753 1.0216 0.9205 1.0303 0.9126 1.1608 0.8596 0.8826 allantoin 0.9732 0.9660 1.0979 1.2008 0.3098 1.1879 0.9485 0.9956 0.9977 1.0000 1.1010 1.0969 0.8411 1.0625 1.2588 1.0757 1.0506 1.0848 0.9776 0.9123 1.2415 0.9802 1.0327 0.7598 0.9246 0.9357 1.1562 0.9589 1.0399 1.0069 1.0049 0.8939 0.9242 1.1084 1.1903 0.9943 0.9642 0.9627 0.9311 0.8731 1.0644 0.7176 0.7604 0.9932 1.2602 0.9604 1.2261 0.6472 1.5867 0.8482 0.9855 0.7695 0.6205 1.0537 0.6884 0.9961 0.9799 0.9903 0.9960 1.0231 1.1728 0.7197 0.8874 1.0597 0.9260 0.7993 1.3166 0.8060 0.7886 0.8002 0.7497 0.7188 0.7679 0.6207 0.5954 0.9408 0.6533 0.6761 0.9734 0.7401 0.7278 0.8735 1.2548 0.8245 0.7513 1.0697 0.6913 1.0729 1.0485 1.1244 1.1930 1.2786 0.8350 0.9841 0.9075 1.2083 1.2110 1.1425 1.0703 1.2239 1.5830 0.9425 0.8047 1.0410 1.2499 1.1617 0.9600 1.1165 1.3069 1.1098 0.9834 1.3981 1.5005 1.0071 1.1389 1.2162 1.2036 1.2703 1.4211 1.0187 1.1712 0.9453 1.3161 1.3488 1.1615 1.9486 1.2627 1.1214 1.2628 1.0126 1.2642 alliin 0.0655 0.0655 0.0655 1.9350 1.0285 0.0655 2.0398 0.1608 0.3978 0.0655 0.0655 1.9379 0.0655 1.4840 0.0655 0.1893 1.3885 0.0655 0.0655 0.2678 9.4356 0.0655 0.0655 0.1706 0.0655 0.0655 0.5803 0.9080 0.8934 3.6633 0.0655 0.2597 0.0655 0.0655 1.5439 0.0655 0.0655 5.6897 0.1635 0.2263 0.2727 0.0655 0.0655 0.6100 0.7950 0.0655 0.3423 0.0655 2.3474 0.4807 0.1383 0.2919 5.4253 0.0655 1.6337 0.0655 0.0655 0.0655 0.0655 0.1637 0.4596 0.2958 2.5168 1.3700 1.0000 0.0655 0.6725 0.0655 0.3751 1.5958 0.1848 0.0655 2.5760 0.1912 1.1751 1.5788 1.2066 1.1125 2.4864 1.3521 0.3756 0.0655 0.9008 0.3843 1.2816 0.3051 0.6373 8.7921 10.7912 0.0655 5.0213 0.2903 0.5862 6.2096 1.9375 2.4280 5.6698 0.0655 0.0655 2.8894 0.0655 0.0655 1.0891 0.0655 0.0655 5.2473 0.0655 0.9535 0.0655 0.2005 0.0655 0.0655 2.1806 0.1253 0.0655 0.8072 0.0655 1.2866 0.0655 0.0655 0.5905 0.0655 0.1206 1.7657 0.0655 1.8323 2.3887 1.3799 0.0655 0.0655 0.3445 allo-threonine 0.9791 0.7116 1.0272 1.1253 1.1132 0.1591 0.7055 0.9945 1.1871 1.6211 1.2260 1.3521 0.1591 0.9012 0.8362 0.5580 1.5455 0.6494 1.0950 0.7513 0.8843 1.6145 0.9163 0.1591 1.1032 0.8544 1.1944 0.7769 1.0849 0.1591 0.1591 0.9726 0.7142 0.8775 1.1477 0.3895 0.4305 0.9618 0.4594 1.0293 0.1591 0.3745 1.4697 0.4623 0.8612 0.9783 1.4821 0.4870 1.9840 0.9362 0.1591 0.1591 0.1591 0.8918 1.2016 1.3328 1.2732 1.1710 1.2429 1.3925 1.0614 0.1591 0.1591 0.8590 1.4580 0.4133 1.0095 0.8473 0.1591 0.1591 1.0438 1.0887 0.9508 1.1881 0.8388 1.1426 0.1591 0.8631 0.9112 0.1897 0.9653 1.0228 0.7669 0.1591 0.4580 1.1030 0.3089 0.4513 1.2916 1.0470 1.4773 0.6380 0.1591 0.9460 1.2107 1.5123 1.1011 0.4426 1.1827 1.1670 1.2303 0.5093 0.3987 0.8753 1.4464 0.9367 0.6762 1.0031 1.7157 1.3024 1.3246 1.6187 0.3747 0.3988 0.9969 1.0093 0.4579 0.3234 1.5717 1.0888 1.0968 0.1591 1.7718 1.3107 0.1591 1.2172 1.0401 1.1008 0.9852 0.7519 0.7937 allopurinol 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 allopurinol riboside 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 alpha-CEHC sulfate 1.1993 0.2941 5.3064 0.9022 0.2941 2.0342 0.2941 0.2941 0.7744 0.2941 1.8458 0.2941 0.4368 0.2941 0.2941 2.3680 0.7090 0.2941 1.7344 0.2941 0.2941 0.5876 0.9724 0.2941 0.2941 0.2941 0.2941 0.4733 2.0687 0.3918 1.9498 1.0645 0.8088 0.2941 0.7486 1.6498 0.2941 0.2941 1.7681 1.0276 0.2941 1.1690 0.2941 0.4922 1.0481 1.7735 0.2941 1.3144 0.2941 1.1635 0.5748 0.5069 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.7454 0.2941 0.2941 1.0878 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.6206 0.2941 0.2941 0.2941 0.3936 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 1.6068 0.2941 0.2941 0.2941 0.2941 0.2941 0.2941 1.0868 0.2941 0.2941 0.7312 0.2941 0.2941 0.2941 0.2941 0.2941 0.6695 0.6677 0.2941 0.2941 0.7016 0.2941 0.2941 0.2941 0.2941 0.2941 0.5818 0.2941 1.2992 1.3241 0.2941 0.2941 0.4962 2.9897 0.3225 0.5352 0.2941 1.0767 1.7448 1.0675 0.5613 alpha-hydroxycaproate 0.9315 1.0178 0.8124 0.2497 2.5060 1.2743 0.2497 0.9981 0.8730 0.2497 0.9045 0.2497 0.8282 0.9333 0.2497 0.9765 0.2497 0.2497 0.2497 0.2497 1.7995 1.3375 0.2497 1.3911 0.2497 0.2497 0.2497 0.2497 0.2497 1.1113 1.4792 1.0681 1.7989 1.4372 1.6990 0.2497 0.2497 1.6423 0.9996 0.2497 1.0325 0.7097 0.9178 0.2497 1.0157 1.6138 0.2497 0.8304 0.7922 0.2497 0.9836 1.0809 0.2497 0.9396 1.4115 1.0230 0.2497 0.2497 1.2961 0.4575 0.2497 0.2497 0.8979 0.2497 0.7523 0.2497 0.2497 0.9743 0.7612 0.8840 0.2497 0.2497 0.2497 0.2497 1.4674 0.2497 0.2497 0.2497 0.2497 0.2497 0.2497 0.7893 0.2497 0.7959 1.5172 0.2497 1.7799 0.2497 0.9347 0.2497 0.8824 0.2497 0.2497 0.2497 0.9570 0.7113 1.3258 0.2497 0.2497 0.2497 1.0328 0.2497 1.4088 0.2497 0.5241 1.0999 0.7042 0.7239 0.2497 0.2497 1.0128 1.3277 0.2497 0.2497 1.0004 1.0689 0.2497 2.1320 0.2497 0.8085 0.9771 0.2497 0.7917 1.1168 0.2497 0.2497 0.8306 1.5455 0.2709 1.1437 1.0395 alpha-hydroxyisocaproate 0.5746 0.7531 0.8277 1.4760 1.4958 0.4784 1.4125 1.5793 0.6171 1.2069 1.0656 0.8590 0.6593 0.5607 1.2998 1.5452 1.4564 1.5549 1.0964 0.9606 1.2719 2.3909 0.8490 1.2613 1.5137 0.9700 0.7689 1.0292 1.3532 1.0950 0.5835 0.5066 0.7401 2.2594 1.5745 1.0000 0.7025 1.9991 1.3049 0.8519 1.4791 0.9113 0.6944 2.6745 1.8884 1.7171 0.6998 1.4891 1.0078 0.9753 1.0051 0.9413 0.4924 0.4868 1.1939 0.5767 0.9149 0.4714 0.6101 0.5487 0.9013 1.0736 1.4279 1.1045 0.6602 0.6923 1.5164 0.6485 1.1146 0.7053 0.6240 0.8586 0.4768 1.2908 1.0574 1.3439 1.1624 0.9848 0.7883 0.6187 0.6992 1.4092 1.9759 0.4957 1.0807 0.9712 0.5763 1.4173 0.7600 0.7782 0.4744 0.8484 1.4171 1.1601 0.7900 1.4403 2.1425 1.4218 1.4419 0.9040 1.5136 1.0037 0.9760 0.8816 1.1299 0.5795 1.5419 0.7107 1.9294 1.5350 0.8538 1.8272 1.2943 1.6267 1.1026 0.4106 1.1227 2.6808 0.7766 0.9056 0.9337 0.9582 0.6714 1.4698 0.8187 1.5704 0.9253 0.7113 1.0294 0.9001 1.0420 alpha-hydroxyisovalerate 0.6068 0.8000 1.5615 1.4391 0.8741 0.6036 0.6975 5.0168 0.9022 1.2276 0.8945 0.8919 0.8242 0.8953 1.2255 1.4929 1.4855 2.0636 1.1321 1.1968 1.0261 1.7788 0.9922 2.9762 1.1548 1.1781 0.6125 0.7067 1.3163 1.3266 1.0916 0.8149 1.0568 1.9033 1.9603 0.7212 0.5347 1.3818 1.6095 0.9178 1.3478 1.3195 0.7175 2.6041 1.3530 0.8055 0.3909 2.0852 2.2837 0.9360 0.9782 0.9542 0.5256 0.3731 0.6530 0.8560 0.8502 0.4720 0.4506 0.5626 1.4352 1.7240 0.7514 1.3803 0.8260 0.5781 1.3949 0.6736 1.0540 0.8345 0.4428 0.4849 0.5006 0.7758 0.7114 1.4145 1.4864 1.0065 0.7815 0.4549 1.1383 1.9604 1.2316 0.6035 1.0216 0.7164 0.8173 0.9297 1.0831 0.6274 0.8963 0.8542 1.6595 1.8819 0.7910 0.6942 2.1103 1.4016 1.3431 0.5987 1.3603 0.9101 0.8672 0.7476 1.0000 1.5064 1.0765 1.0614 1.8243 1.3792 0.9662 1.7064 1.2430 1.8771 1.1134 1.1197 1.0604 1.8841 0.5983 3.0604 0.6923 1.3046 0.8241 1.2382 0.6393 1.1359 1.3041 0.8293 0.7511 0.9445 0.7441 alpha-ketobutyrate 0.4540 1.0328 3.2637 0.9141 0.6209 0.6037 1.8052 0.8752 0.7088 1.3540 1.8446 0.5813 1.8683 1.0649 1.5423 1.7341 0.7576 1.6006 1.1425 0.6866 0.9117 2.2885 1.1980 0.7123 2.5216 0.9077 0.5236 2.0825 1.7803 1.6498 1.5563 0.5677 1.0339 2.8963 2.1170 1.4253 0.9463 0.8839 1.2476 1.6684 0.7056 1.3975 1.2076 2.6398 1.4854 2.3466 1.1873 1.7460 0.5294 1.6793 0.9166 0.8906 0.3166 0.4722 0.5426 1.0788 0.5283 0.5630 1.3831 0.3814 0.7092 0.5385 0.9764 0.9451 0.6490 0.4570 0.5745 0.5426 0.5504 0.3166 0.8194 0.3166 1.2420 0.6722 0.5596 0.6234 1.1840 0.6042 0.8139 0.3261 1.0662 1.3674 1.2714 0.7488 0.5279 0.4329 0.9694 0.7487 0.7287 0.3519 0.6016 0.8556 1.2386 0.7191 0.3735 1.0878 1.4177 1.5722 0.9462 0.9445 0.7412 1.0241 0.3566 0.9972 0.9600 1.2911 1.8239 1.1561 2.1436 0.8531 1.1469 1.6431 1.0157 2.0651 1.6467 0.5546 1.0000 1.6852 1.3739 1.6400 0.9121 1.8638 1.2576 1.0592 1.1946 1.7624 1.6561 0.8129 0.8057 1.6379 1.0672 alpha-ketoglutaramate* 1.0361 0.9220 1.1240 1.2792 0.9679 1.1173 0.9072 1.2132 0.7491 1.0105 1.0484 0.9753 0.7994 0.8626 1.1341 0.8319 2.1605 0.8666 2.3359 0.8546 1.3248 0.9208 0.7780 0.7823 0.7858 0.9647 1.5128 0.6727 1.0000 0.8928 0.7922 1.1946 1.0216 0.8321 1.1271 0.9994 0.9225 1.4216 0.9996 0.6542 1.0558 0.9994 0.7525 1.0008 1.9745 0.7099 1.2112 0.9947 2.8505 0.7546 1.3562 1.6792 0.7159 0.8017 0.9611 1.1990 0.9552 0.9593 0.8750 0.9176 1.1413 0.9671 0.7453 1.0780 0.9831 0.9264 1.1373 0.9255 1.1692 0.9202 0.9802 0.7607 0.6765 0.7747 0.8069 1.0241 1.1485 1.0051 1.3417 0.6382 0.9060 0.9670 1.3060 1.2385 0.9919 0.9402 0.9861 1.0989 1.3872 1.0014 1.1752 1.1864 1.3258 0.9301 1.1629 1.2804 0.8187 1.1422 1.0786 1.1637 0.9464 1.8071 0.5796 0.9712 1.2084 1.0274 1.0861 1.3672 1.4331 1.2124 1.0197 1.2120 1.1349 1.1962 0.9969 1.5607 2.5989 1.1342 1.1943 0.9387 0.9408 0.7350 1.0787 0.9316 0.8245 1.4123 0.9106 1.1421 1.0416 0.9232 1.0780 alpha-ketoglutarate 1.2068 1.2546 0.9789 1.1657 0.8641 1.5396 1.5902 1.0888 0.8820 1.8549 0.9385 0.7407 1.4247 0.8093 1.0062 1.4432 1.6956 1.0733 1.0256 1.1904 0.6565 1.2921 0.6770 1.0641 0.2779 1.1113 0.5531 1.0765 0.8760 1.3349 1.5636 0.8890 0.8142 0.9064 0.8580 1.2943 0.3377 0.7320 1.1551 0.8681 1.2221 0.8615 0.9890 1.8745 1.4348 1.0792 1.0000 0.6577 0.5886 1.1517 1.1124 0.8754 0.6653 1.1166 0.7686 1.0608 0.7537 0.8110 0.5267 1.0435 1.0903 1.3610 0.9711 0.7694 0.8331 0.6673 0.7216 0.8190 0.6853 1.0018 0.8887 0.9423 0.9617 0.6759 0.8238 0.6266 0.9806 1.0170 0.7078 0.6886 0.8611 1.2408 0.7417 0.6103 1.0408 0.8040 0.8724 0.6208 0.7260 0.7405 0.8769 0.6663 0.9914 0.8715 0.7750 1.3369 1.3477 1.1801 1.3109 1.6135 1.1938 1.7166 1.3476 1.0445 1.7409 1.0822 1.1343 0.9809 1.0298 1.5627 1.6666 1.4216 1.4508 1.2689 0.8032 1.1126 1.5331 1.6449 0.9146 0.7268 0.6789 1.2787 0.7883 1.2301 1.2554 1.1878 0.9274 1.6195 1.3048 1.2353 0.7539 alpha-tocopherol 1.0117 1.0001 1.7052 1.0974 0.9134 1.2804 0.9364 0.7385 1.0797 0.9489 0.9716 1.1414 0.7203 0.7843 0.8394 1.1133 1.0649 0.8051 0.8099 0.7324 0.9158 1.0898 1.0878 0.8647 1.0517 0.9144 0.9743 0.9480 1.2505 0.8497 1.1964 1.0325 1.1879 1.0683 0.8775 1.3912 0.9878 0.8715 0.9310 0.6634 0.8488 1.0945 1.2707 1.1697 1.1332 0.9280 0.8420 1.1999 0.5581 1.0565 1.0078 1.0788 0.6643 0.8319 1.2297 1.2326 0.9755 0.9150 1.4527 0.9558 0.8975 1.0245 1.0699 0.6782 1.0199 1.1276 1.3935 0.9894 0.9083 1.3169 0.7366 0.7815 1.0109 0.8155 1.0025 0.9865 0.8248 0.8317 1.1134 0.9318 1.0480 1.0641 1.1843 0.9740 1.0549 0.9486 1.2690 0.9625 0.9887 1.1634 1.2821 0.9057 0.9333 1.0988 0.7379 1.0000 1.1774 1.1094 0.7145 0.9868 0.8881 1.0043 0.8555 0.9614 1.3070 0.8774 1.0025 1.0640 1.3128 0.8598 1.3578 0.7613 1.1571 1.1021 0.7715 0.7152 0.7896 0.8180 0.8596 1.2892 0.9383 1.1037 0.9574 1.6664 0.9321 1.2309 1.2202 1.4086 1.1982 1.0280 1.2055 andro steroid monosulfate C19H28O6S (1)* 1.0816 2.6304 3.0517 0.3352 3.5406 0.3126 0.7966 0.4249 1.0000 0.4265 4.8374 0.6592 0.6809 0.5335 2.8991 0.2390 0.7319 2.7389 1.2765 0.9997 1.6840 2.6707 0.2390 0.5502 7.1310 0.3955 3.5931 3.6647 4.1758 2.8219 1.4632 0.3811 1.5235 3.3520 2.6329 0.5760 3.7099 1.2043 1.5376 0.7343 1.2730 0.7179 1.2284 2.0862 3.0290 2.3300 0.8839 2.1904 1.1933 0.2710 0.2660 0.7454 0.8617 0.6405 0.4937 0.9094 0.2390 0.5245 0.3322 0.2390 2.1303 0.2675 0.7527 1.1704 0.4298 0.6518 0.9746 0.7453 2.6848 0.4186 0.4538 0.3067 0.9376 0.8723 0.5028 1.9864 0.6694 1.4183 0.4381 0.2390 0.3049 0.2390 4.1018 1.7994 1.1718 5.7996 0.2390 0.2390 0.6335 0.6066 0.3845 0.9465 2.1566 0.7723 1.5426 0.5143 0.4439 0.2390 2.2797 0.7430 0.7835 0.3555 0.6510 1.3041 1.5140 2.4457 1.4179 1.9384 0.3439 1.4591 3.0590 1.7222 0.7749 1.0809 1.3817 2.1300 2.5968 0.5207 1.6557 1.8124 0.8073 0.3750 1.5882 3.1112 1.7659 1.4911 0.6826 0.5096 1.0024 0.5007 2.4778 androstenediol (3alpha, 17alpha) monosulfate (2) 0.9296 1.1205 1.0695 0.4930 1.6859 0.2377 0.4092 0.6687 0.3521 0.2858 1.3521 0.4100 0.2377 0.4130 0.5017 0.3334 0.8912 1.0276 1.6643 1.9113 0.3539 2.8629 0.2377 0.6848 1.7809 0.9995 1.7198 1.4093 0.9749 1.6201 0.7763 0.7308 0.8648 1.9624 0.8204 0.6877 0.9569 3.0198 1.3421 0.5373 1.6728 0.5003 0.9985 1.5604 0.9474 0.8085 1.3623 1.3428 2.4716 0.3064 0.6371 0.4173 0.9864 1.0037 0.9286 0.8281 0.2377 0.6051 0.4295 0.4603 1.0391 0.5488 1.6156 2.2522 0.8770 0.9413 1.4839 0.9488 1.0276 0.9457 1.0533 0.7486 0.5218 0.4290 0.5110 2.4331 0.3439 1.1846 1.0287 0.7639 0.2377 0.8344 3.6250 1.4159 0.7685 3.5899 0.2824 0.2377 0.7256 0.7236 0.5005 1.1633 3.3148 1.8544 1.1238 0.7064 2.1894 0.4961 0.5353 1.4491 1.2977 1.1681 1.3850 2.5344 2.5245 3.5104 1.2611 1.8517 0.6085 2.6455 1.4388 1.5528 2.1100 1.9826 2.1044 0.9295 1.7284 1.3544 1.1362 0.4103 0.3102 0.9059 1.1376 1.1261 1.5339 2.0493 0.4929 0.2377 1.0000 1.0763 3.1366 androstenediol (3alpha, 17alpha) monosulfate (3) 0.4005 1.0000 2.4465 1.0059 1.3659 0.0805 1.3788 1.5456 0.5212 0.3946 0.6394 0.4372 0.2247 0.9683 0.5505 0.5909 0.7076 0.1843 1.6448 1.0856 0.2866 1.5690 0.7269 0.8288 1.3690 1.7168 0.2766 0.7477 0.2577 3.7222 1.4729 1.6343 1.8922 2.0387 1.5190 0.9525 0.4763 1.7908 2.2177 1.0437 0.2628 0.5522 1.1043 2.4545 1.0296 0.6677 0.6984 0.8969 1.2006 0.9956 0.7895 0.2834 0.6411 2.4485 0.8504 0.4407 0.0710 0.3197 0.3795 0.4778 0.5541 0.7489 1.3765 8.0551 0.9126 1.4568 2.5147 1.3756 0.6456 2.0025 0.8458 0.5952 0.6327 1.0469 0.8483 2.0289 0.7644 1.5051 0.4422 1.2418 0.6212 1.1475 1.4281 1.6285 2.4883 3.4451 0.4208 0.2684 0.4497 0.5887 1.7933 1.2803 3.3214 1.4565 1.7573 0.7964 0.7443 0.6620 1.1911 0.7394 0.7126 1.4361 1.0381 1.0768 1.1670 0.8176 2.0525 1.0748 1.0638 1.1423 1.0586 0.7340 1.2743 1.6606 1.5284 0.2289 1.3410 2.4166 1.7713 0.5752 0.0740 0.9677 2.7591 0.2452 0.3723 1.4492 1.5100 0.2000 0.2191 1.3101 3.2721 androstenediol (3beta,17beta) disulfate (1) 1.0531 1.3690 4.0592 0.7735 1.3409 0.2957 1.1392 0.7586 1.5896 1.0380 2.0223 0.4900 0.0994 1.0357 1.2840 0.3636 0.3378 0.3806 1.7058 1.1459 0.6637 2.1990 1.2476 0.8739 2.6183 0.8392 0.4503 1.7921 0.8832 3.7353 5.0357 0.8915 4.3896 3.2000 3.2283 1.0000 0.5103 1.9429 2.6962 0.5428 0.8352 0.9165 1.2445 2.5186 3.2089 0.8026 0.6525 3.7423 0.8186 1.9595 0.3772 0.2133 0.7016 1.2746 0.7283 0.3211 0.0179 0.2100 0.7772 0.0666 0.5872 0.5643 1.3903 2.3375 0.6714 1.0634 1.6142 0.8388 1.1004 0.6733 0.7558 0.2308 1.2065 0.5495 0.6569 1.5287 1.8282 1.4174 0.2393 0.5740 1.4076 0.8526 2.3035 1.0571 1.2321 1.9050 0.2099 0.2978 0.6611 0.5705 0.8702 1.0683 1.1773 0.6094 1.1386 0.3320 0.6789 0.3483 1.6089 1.0048 0.6046 0.7119 0.5506 0.5888 2.0433 1.6845 1.8407 1.5432 0.5868 1.1660 3.2163 0.8893 0.9274 1.2704 1.7918 0.3035 2.9831 1.6024 1.3551 1.2199 0.1135 0.9592 3.3750 1.8945 0.9132 1.3627 5.2087 0.0798 0.2475 0.8546 3.6078 androstenediol (3beta,17beta) disulfate (2) 0.7395 1.6767 2.7875 0.8217 1.2825 0.1245 0.6851 0.7403 0.8163 0.3847 2.2813 0.3568 0.1990 0.6921 0.7196 0.3302 0.7323 1.1493 2.4941 1.1630 0.4960 1.9871 0.2716 1.0000 3.2763 0.9319 1.2591 1.9786 1.3378 1.8121 2.0404 1.0147 1.4205 1.8135 2.3118 0.9993 0.8921 2.4574 2.1185 0.9220 0.9162 0.6687 0.8657 1.8570 3.0060 1.2752 0.9428 2.1201 2.2084 1.0082 0.5135 0.4940 1.1735 1.2445 0.7478 0.6559 0.0739 0.3445 0.4937 0.2905 0.9549 0.5208 1.2315 2.2452 0.6594 0.9354 1.5221 0.9232 0.7083 0.9008 1.0715 0.5681 0.9486 0.4597 0.3831 1.9518 1.2243 1.1579 0.5827 0.5948 0.5858 0.6688 3.2557 1.6518 1.2964 2.4439 0.1801 0.1336 0.7029 0.5993 0.5326 1.6563 2.2103 1.1839 1.2966 0.6981 0.7872 0.4386 0.8881 1.2405 0.6948 0.6308 0.9214 1.0187 1.7687 2.0424 1.9661 1.7318 0.6400 1.9816 1.8800 1.4162 1.1999 1.4619 2.2530 0.9334 1.7873 1.4614 1.4782 1.0320 0.1832 0.7154 2.1513 1.0943 0.9553 1.7249 1.1444 0.1497 0.5804 1.1790 3.2333 androstenediol (3beta,17beta) monosulfate (1) 0.8668 1.4838 3.8962 0.4813 2.4928 0.1251 0.6960 0.4991 0.9350 0.8643 0.7873 0.4501 0.0759 0.9522 1.6900 0.5302 0.4488 0.2239 1.7883 2.2258 0.3633 5.2638 0.2271 0.6553 5.6093 1.0000 0.3395 1.0274 0.3868 3.1391 2.2797 0.7534 3.3427 3.4125 1.1627 0.5544 0.5961 2.3744 1.9631 0.4595 1.6894 1.0710 1.9333 4.2442 0.9909 0.5182 1.2134 2.0809 1.1526 0.6687 0.5492 0.3429 0.7731 0.9068 1.0134 0.5828 0.0269 0.2537 1.3039 0.1186 0.5522 0.6391 1.4221 3.4423 0.7068 1.9284 1.3867 1.4209 1.6602 0.9113 1.0700 0.3746 0.9981 0.7360 1.1552 2.6770 0.9038 1.8315 0.8076 0.8986 0.8660 1.3577 3.1113 1.2510 1.5797 3.4519 0.4276 0.0541 0.6165 0.7546 0.6214 1.0481 2.7224 1.4849 1.5012 0.4183 1.2769 0.2600 1.4659 0.9382 0.9368 1.4272 0.7804 1.9702 2.8220 2.2975 1.4409 1.5790 0.4386 2.1101 3.4545 0.5758 1.4938 2.2334 2.5252 0.1598 3.1450 0.7806 0.7257 0.9082 0.1541 1.1377 2.1502 1.2653 0.4668 1.8099 3.3964 0.1328 0.2419 1.0774 3.7774 androstenediol (3beta,17beta) monosulfate (2) 2.0205 1.2927 4.6504 0.4172 0.0910 0.3726 0.4311 0.3936 1.7266 0.7253 1.8337 0.5058 0.1275 0.8463 1.1596 0.4835 0.2130 0.4723 1.4313 1.4909 0.4528 0.6728 0.8483 0.5689 1.5476 0.6218 0.6711 1.9434 1.0235 1.6644 6.1706 1.3694 2.7930 3.4092 1.9810 1.0160 0.8931 1.6574 4.1369 0.3882 0.8411 1.0547 1.0232 1.1427 1.7942 0.4959 1.0013 3.3931 0.7123 1.5404 0.3722 0.1214 1.0618 0.6197 0.7971 0.6675 0.0910 0.5144 0.7905 0.2001 0.7655 0.8350 1.2312 1.0041 1.1074 1.5580 0.9860 0.9869 1.0000 0.8946 1.8997 0.5169 1.1227 0.7193 0.8542 0.0910 1.2276 1.9529 0.8758 1.1063 1.3038 0.7739 2.4763 1.6325 1.1901 2.3697 0.2882 0.3108 1.0964 0.9268 1.2231 1.6517 0.9695 1.0489 1.1823 0.0910 0.4334 0.3515 0.7824 1.0079 0.6281 0.3314 0.9245 1.6516 1.5490 1.4011 0.6312 2.2105 0.3924 2.4752 1.6031 0.7216 1.9243 1.0699 0.9966 0.3700 0.9246 0.8562 0.9875 0.6868 0.1479 1.2570 1.8338 1.6593 1.5285 1.4429 2.2529 0.0910 0.4367 0.9761 2.4706 androsterone glucuronide 1.0458 1.9178 3.0773 1.1344 1.3749 0.1134 0.5817 1.5589 0.7302 0.2144 0.7720 0.7310 0.4048 0.6576 3.7674 0.4213 1.5775 0.8970 2.6320 1.3316 0.4260 1.7634 0.1134 0.6338 3.8357 0.7249 1.9390 0.9073 0.2744 1.7310 1.7141 0.7900 0.9443 2.0269 0.6812 0.4446 0.6820 5.5690 2.1206 0.5243 1.9931 0.5048 0.9196 1.5598 2.0298 0.7001 0.7825 1.7753 4.4298 1.0678 1.6789 0.8512 1.5799 0.7818 0.9301 0.6636 0.1134 0.3933 0.3305 0.3393 0.2915 0.4539 1.3811 1.8915 0.5688 0.5580 1.5588 0.7403 1.6974 0.7209 1.5400 3.0249 0.6974 1.1887 0.3594 1.6986 0.2515 3.8943 0.7124 0.6988 0.2642 0.3988 2.1893 1.3885 0.5113 3.5464 0.1980 0.1134 1.6629 0.5020 0.1682 1.6803 2.7006 1.5453 1.5669 0.8825 2.4232 0.4408 1.1662 1.1318 0.6334 1.4387 1.3054 2.0606 2.3628 3.9494 1.0165 2.1573 0.9481 3.0268 1.4604 1.4201 2.0674 0.7573 2.6979 0.3323 2.7784 0.8584 0.9835 0.5002 0.3149 0.5407 1.5594 1.4302 2.3369 1.9409 0.5428 0.4668 0.1599 0.5720 2.1258 androsterone sulfate 0.6040 0.8974 3.6167 1.5408 1.3470 0.0794 0.5200 1.0577 0.6967 0.6666 0.3421 0.4216 0.1068 0.8592 0.6051 0.6945 0.4504 0.1052 1.4423 0.6172 0.1772 1.1495 0.5848 0.5417 1.4220 0.8890 0.1344 0.5637 0.0915 3.4252 4.0689 1.5691 1.4656 2.3991 1.0862 0.8982 0.3225 0.8471 3.0686 0.9785 1.2156 0.5197 1.2538 3.1525 1.1612 0.3432 1.3838 1.1485 2.2174 2.0316 1.1797 0.1244 1.7154 2.3116 0.9507 0.4582 0.0382 0.6421 0.5979 0.5411 0.1839 0.8118 1.0572 5.6941 1.1519 1.7497 2.1078 1.2290 0.3581 2.5060 1.3616 1.0277 0.9432 2.0249 1.4976 2.3290 0.7979 2.5770 0.7006 1.1522 0.8316 0.7841 2.3047 3.4136 2.3527 3.7038 0.2688 0.3214 1.1028 0.8076 2.1871 3.0397 3.9951 2.3344 2.5902 0.7179 0.4502 0.7988 1.2900 0.7749 0.5142 1.0211 1.0969 1.8966 1.3321 0.6779 1.3129 1.3039 1.5906 3.2719 1.3555 0.4230 2.0764 1.0000 1.3287 0.1243 0.4919 0.9811 1.5058 0.3296 0.0547 0.5028 1.5634 0.2546 0.2482 1.5259 0.6116 0.1272 0.0624 0.8874 5.5432 arabinose 1.3026 0.2011 0.0694 1.0459 1.2425 1.0386 0.0694 0.0694 0.8299 1.7975 1.0747 1.4042 0.9990 0.8997 0.9779 1.1337 1.4732 0.9048 1.6528 1.2125 1.6444 0.0694 0.9624 1.2921 0.9363 0.8985 1.1279 0.9555 0.0694 0.6871 1.1346 1.1907 1.3291 0.0694 1.2400 1.0813 0.0694 0.0694 1.4526 0.0694 0.0694 1.1107 0.9565 0.0694 0.2767 1.1044 0.0694 1.4060 2.0837 1.3251 0.0694 1.2868 0.0694 0.8355 0.0694 1.0080 0.0694 0.0694 0.0694 0.0694 0.8618 0.7370 1.0010 0.0694 0.0694 0.0694 0.0694 0.9880 0.5507 0.0694 0.9294 0.0694 0.0694 0.9765 0.6466 0.9876 0.0694 0.0694 0.0694 0.8772 0.7311 0.6901 0.0694 0.8190 0.8614 0.9539 1.1135 0.8703 0.8767 0.7488 0.0694 0.7882 0.7835 0.5958 0.1648 1.2083 0.0694 1.0141 0.0694 1.1109 0.0694 1.2059 0.8125 1.2358 1.1957 0.0843 1.0016 0.0694 0.4592 0.0694 0.7562 1.1152 0.0694 1.5120 0.8924 1.0954 1.4669 1.0561 0.0694 0.0694 1.0150 1.0920 0.0694 1.0667 1.1995 0.5392 0.8316 0.2350 1.6371 0.9269 0.9289 arabitol/xylitol 1.1779 1.0550 1.1908 0.9914 0.9704 1.2974 1.1420 1.1768 0.9073 1.3516 1.1358 1.3447 0.9376 0.9228 1.0745 1.5352 1.7442 0.8698 1.5462 1.0567 1.3697 0.8203 0.7740 1.3187 0.8712 0.8376 1.3442 0.9372 0.9464 0.9579 1.0345 1.5840 1.1759 0.9273 1.3292 1.1899 0.9218 1.1058 1.1122 0.7631 1.1479 1.1397 0.8533 0.9832 1.6477 0.7594 1.0312 0.9595 2.1063 0.9624 1.1688 0.8806 0.6875 0.8344 1.0000 1.0335 0.8874 0.9836 0.9018 0.7530 1.4253 1.3179 1.1934 1.1243 0.8342 0.7404 1.2184 0.7883 0.8424 0.8378 1.1711 0.9272 0.8477 0.7763 0.6994 0.9451 0.8418 0.9386 0.9017 0.9552 0.9245 0.7894 1.0408 1.1327 1.1036 0.9067 0.8308 0.9037 1.1386 1.0536 0.9021 0.9010 0.9572 0.7365 1.9785 1.2709 0.9298 0.8550 0.8884 1.1776 0.8928 1.1962 0.9976 1.0424 0.9776 0.9543 0.8829 1.1757 1.1103 1.4632 1.1693 0.9664 1.3041 1.1092 1.1209 1.4306 1.8098 1.1306 0.7886 1.3028 0.9294 1.0125 1.2420 1.3868 0.9632 1.1851 0.9652 1.3018 1.4420 0.9237 1.1638 arabonate/xylonate 1.1197 0.9072 1.0883 0.7029 1.1511 1.5965 0.6328 1.0643 0.9039 1.5624 0.8461 1.4091 0.9337 0.6207 1.0131 1.2094 1.6087 0.7527 1.5053 1.0172 1.6972 0.7532 0.5653 0.7366 0.6483 0.5325 1.0868 0.6158 0.8213 0.9028 1.0191 1.5935 0.7826 0.9571 0.9552 1.0986 0.7719 0.8653 0.8471 0.4748 0.9477 0.9544 0.9309 0.7380 1.8816 0.6262 1.1250 0.9617 2.4111 0.8552 1.1957 0.7222 0.6144 0.7835 1.0680 1.2216 1.1227 1.2010 0.8935 1.0302 1.1355 1.3787 1.4011 1.0217 0.6808 1.0000 1.7364 0.8349 0.8963 0.9947 1.2019 0.9291 1.0507 0.9115 0.6112 0.8748 0.6813 0.9022 0.9291 0.7955 1.1786 0.7802 1.1564 1.1990 0.9456 1.2463 0.7304 1.0318 1.4122 1.3130 1.3784 1.2103 1.1775 0.6318 1.0846 1.2073 1.0549 0.8717 1.3519 1.2441 0.8913 1.1783 0.7195 1.0851 1.0045 1.0423 0.6630 1.1585 1.0708 1.7137 1.4169 0.9484 1.1787 0.7753 0.7349 1.5193 1.6260 1.2625 0.6607 1.0081 0.7599 0.9365 0.9551 1.3405 0.9984 1.1219 1.2751 0.9984 1.1790 0.6551 0.9728 arachidate (20:0) 0.9399 0.8470 1.1697 0.7726 0.8201 1.0447 1.2352 1.2943 0.6020 1.7253 1.0000 1.7688 0.6618 0.8610 1.2121 0.6752 0.6108 0.9676 0.5881 1.3741 0.8114 0.6808 0.7768 1.2999 1.2764 0.7702 0.6588 0.6357 0.6670 0.7159 1.2197 0.8647 1.4027 0.6333 0.7084 1.1735 0.7572 0.6938 0.8168 0.7765 0.7439 1.1834 0.6598 0.8750 1.1859 0.6008 1.2549 1.8664 1.1321 0.6422 0.7118 0.6186 0.8192 2.1754 1.0533 1.9087 0.6278 1.3245 0.7548 1.8677 1.1751 0.8226 0.6941 1.0086 1.1596 0.7584 1.0012 1.2526 0.8092 1.8428 1.4875 0.7980 0.8528 1.2457 0.8196 0.5764 2.2039 0.7898 1.8005 1.2043 0.9610 0.9200 1.5008 0.8438 0.8186 1.3905 0.7698 1.4302 1.5213 1.2768 0.7777 0.9291 1.0316 0.7315 0.6717 1.0631 1.6311 1.3626 0.9719 1.0372 0.8187 1.3098 0.5711 1.1417 1.2330 1.0498 0.7901 0.5918 1.2721 0.6672 0.8808 0.9920 1.3042 1.6536 1.2839 0.8366 0.7332 1.2632 1.2232 0.8446 1.0287 1.2839 1.2151 1.2919 1.2735 1.0970 1.1574 1.3157 1.0643 1.2291 1.6867 arachidonate (20:4n6) 0.8473 2.2509 2.8053 0.6268 2.5509 0.7651 0.4898 0.5826 0.8029 0.8455 1.9561 1.0880 2.0556 1.0135 1.5989 1.5250 0.2016 0.8775 0.6954 0.7425 0.6092 1.4872 0.9318 0.8761 2.1254 0.7647 0.9953 0.7660 0.7880 1.6182 0.7073 1.1004 0.8212 0.7792 0.9394 0.7316 2.5167 0.6402 0.7613 0.7805 0.5351 1.2619 1.3404 0.8872 1.0796 1.0283 1.1904 1.0707 0.4351 0.9810 1.2124 0.6782 0.6120 0.4283 1.1913 1.3888 1.0412 1.1410 0.8947 0.9519 0.8726 0.9605 0.7125 0.4663 1.1827 1.3993 2.0868 1.0934 0.9852 1.4516 1.1978 0.5334 0.8617 1.1838 0.8674 0.6076 1.1518 0.9883 2.1604 0.9422 1.3378 1.0569 1.1423 1.2923 0.7846 0.5066 1.9231 2.0699 1.0542 1.6467 1.6239 0.4719 1.5282 0.4692 0.4290 1.4510 1.5934 0.7557 1.3078 0.5598 0.8158 1.3058 1.0000 0.7098 1.4874 0.6848 1.7971 0.7849 1.0335 0.8881 1.4176 0.9008 1.2478 0.9879 1.6527 1.0073 0.8183 1.2863 1.1064 1.0350 1.4127 0.8254 1.0568 1.0690 0.9296 1.2104 1.0654 1.2904 0.9579 1.1191 0.8943 arachidonoylcarnitine (C20:4) 0.7879 1.1667 1.1498 1.5160 2.1440 1.4440 0.7640 1.0016 0.5591 0.8589 1.4466 0.7287 1.3039 0.5301 1.0456 1.2209 0.8124 3.3044 1.6132 0.8460 0.8822 1.1639 0.6450 0.5067 1.0061 1.8639 1.4244 0.7675 0.6848 1.8298 0.9582 2.0877 0.4436 0.7460 2.1573 0.8771 1.5490 1.3392 0.8454 1.0260 0.8093 1.1221 1.1798 1.1312 0.6487 1.0100 1.5219 0.4190 1.1801 1.0775 1.2963 1.2790 0.3546 0.7801 1.3137 1.3361 1.1043 1.5421 0.6479 0.6088 0.5629 0.6672 0.6053 0.9463 0.7078 1.1063 1.6557 0.7851 1.0000 0.4977 1.2586 0.7861 0.6730 0.5613 0.5433 1.2616 0.4080 0.7317 0.9147 1.4182 0.9249 1.2123 1.0018 1.0147 1.3618 0.8300 1.1748 1.2305 0.5238 0.9388 1.0364 0.4667 1.2022 0.3987 0.4507 1.1669 1.4450 0.7044 1.6676 1.7649 1.5040 1.6612 0.7134 0.8697 0.9506 0.9791 0.9557 0.8550 1.6256 1.1758 1.1187 0.6853 1.4924 0.7921 1.2495 1.0244 0.8888 1.2893 1.1674 0.6757 0.5927 0.7063 1.2666 0.8695 0.7483 0.9442 0.8652 0.8658 1.3107 1.2377 0.7166 arachidonoylcholine 0.3204 5.4595 1.2317 0.4471 1.6378 0.0411 0.0550 0.0469 1.9070 0.0837 0.3508 0.9042 1.1140 0.4572 1.8100 1.3257 0.0460 0.7032 0.0909 0.1732 0.1627 1.3509 0.3886 0.2245 0.7083 1.1425 2.6303 0.3067 1.0000 2.9358 0.4309 2.1697 0.1433 2.0514 0.5502 0.5941 7.1424 1.0350 0.5295 0.0411 0.2673 0.8854 1.7243 0.6025 0.8153 0.2790 2.1941 0.1390 0.0709 1.1596 1.0681 0.8575 0.2972 0.5847 6.0299 4.5174 2.3850 0.9642 1.6317 0.9638 0.6990 1.0627 0.6933 0.6394 2.3691 2.9185 5.3534 1.2990 2.0383 0.9006 0.8000 0.0411 1.4106 0.7217 1.2909 1.2264 0.7641 1.9177 3.3951 4.4772 2.2494 1.6416 1.6583 2.9345 1.2193 1.1460 5.4507 6.0538 1.4842 5.6467 5.8506 0.6362 5.4927 0.5118 1.5132 1.6288 0.1173 0.2046 1.7372 1.7903 0.3210 2.2156 1.0777 0.6973 1.6554 0.1129 2.3483 0.3976 0.8322 0.5897 0.7942 0.2854 2.5022 0.0990 2.7851 0.8675 0.2125 0.1406 1.0106 0.9258 2.3999 0.4967 0.9515 1.0031 1.2564 0.9956 0.7476 2.5832 1.7180 0.8469 2.6082 arachidoylcarnitine (C20)* 0.7768 0.7869 1.2772 1.4664 1.0265 1.1114 1.3919 0.8357 0.3641 1.1886 0.4068 1.8122 0.5310 0.5248 0.5679 0.8900 0.9089 0.4414 1.0344 1.0135 0.8381 0.5600 0.4798 0.5411 0.8568 2.1720 1.1640 0.4141 0.5821 0.4840 1.1165 1.3858 0.9539 0.6474 0.3965 0.9856 0.8889 1.0892 0.7611 0.3963 1.0746 0.6197 0.6599 0.5021 0.9726 0.4413 1.4972 0.4019 0.7035 0.7181 1.4430 0.9895 0.3641 4.4891 2.6968 2.0597 1.0754 2.0291 1.0397 1.9135 1.6751 1.4005 1.1076 1.3125 1.6031 1.4046 1.3733 1.0403 1.2853 1.0000 1.0819 1.1597 0.8710 2.0866 0.9077 1.4406 1.6053 0.9163 2.2533 1.0939 1.0486 1.9112 1.5547 1.5450 1.3555 1.9817 2.2523 1.0263 0.6384 1.4888 0.3641 1.0262 1.8848 1.4234 1.1558 1.1783 1.5389 0.4033 0.8623 0.8983 0.9604 1.8873 0.9012 0.7673 0.6742 1.8565 0.9002 0.9809 1.8465 0.9434 0.8590 0.7175 1.2532 1.0323 0.6480 0.6812 0.5573 0.8707 0.5800 0.4044 0.7399 0.7538 1.0740 1.3748 0.6111 1.0660 0.8575 1.5658 0.9888 0.9003 0.6585 argininate* 0.1396 0.1606 0.8296 1.5121 0.9725 0.2072 0.8000 1.3425 0.3677 1.0683 1.6566 1.0443 0.3872 0.3816 2.6487 1.4928 3.7622 0.9457 2.7975 0.4684 1.8365 0.7785 0.8397 1.0829 0.3374 0.8521 1.0147 1.0297 1.0961 0.8133 0.9762 1.3915 0.1208 1.7054 1.4153 1.5505 0.4671 2.1403 1.1809 0.7854 3.4053 1.2172 0.3490 1.9040 1.2719 0.8356 1.1222 0.9455 2.9660 1.0593 0.5317 1.6513 1.0625 0.3126 0.7517 1.0420 0.3951 0.1208 0.1208 1.4293 0.4763 1.3157 1.6016 0.9321 0.4017 0.9955 1.4877 0.4195 0.5437 1.4153 0.3115 0.2607 0.3380 0.3372 1.0750 1.5308 0.8430 0.3830 1.0000 0.7986 0.5754 0.7456 0.3122 0.9023 0.4837 0.4397 1.0619 1.0783 2.8966 1.5379 0.6536 0.3229 1.5607 0.6657 1.2973 0.9856 1.1122 3.1480 0.3393 0.4377 0.7012 1.2265 1.3861 0.5790 2.7032 1.2124 0.7031 1.4366 1.9092 1.4135 1.1871 0.7738 1.8444 1.0201 0.6894 1.2201 2.7640 0.9607 1.1867 1.1237 0.7693 0.7150 0.9817 1.0902 1.2598 1.0219 1.6543 0.7974 0.6565 0.3542 1.1225 arginine 0.6355 0.9064 0.7970 0.9311 1.6160 0.7155 0.6974 1.0071 0.8877 1.1492 0.8263 1.0243 0.8506 0.7794 0.6486 0.5964 1.2372 0.8884 0.9823 1.0914 0.8160 1.3293 0.8001 0.6115 0.8968 1.1562 0.9844 0.8036 0.9054 0.8488 0.8000 0.7761 0.7936 0.9716 0.5087 0.7796 1.0291 0.8049 0.7909 1.1532 0.9483 0.8288 0.9264 1.0593 0.8822 1.1481 1.0711 0.6786 0.8814 0.7188 1.0662 1.0361 0.8537 0.8787 0.9337 1.3067 1.1510 0.8368 0.8810 1.5613 1.0914 1.1754 0.9991 1.0255 1.1997 1.3460 1.1641 0.7626 1.0617 1.2425 1.1828 1.1520 0.6857 1.2439 1.1221 0.9595 1.0909 0.9924 1.2933 1.1857 0.8791 1.0601 0.8799 1.0779 1.2754 1.2481 1.2787 1.1202 1.1448 1.0871 1.1666 1.2488 1.2315 1.4156 1.3557 1.1744 0.8825 0.8888 1.0457 0.8851 1.0344 1.1880 1.3752 1.0753 1.0471 0.8345 1.1282 1.2885 0.9743 1.1829 1.0621 0.7480 1.1540 1.0352 1.0000 1.2927 1.0693 1.0114 1.3978 0.9718 0.7020 0.7378 1.3145 0.9688 0.9401 0.8817 0.9190 0.9516 1.2520 0.9701 0.9862 ascorbate (Vitamin C) 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 ascorbic acid 2-sulfate 1.1554 1.1235 1.1933 0.7021 0.9714 1.6734 0.6169 0.5274 1.1741 1.0183 0.8356 1.2327 1.5810 0.8191 1.4601 1.4112 0.9583 1.2214 1.7821 0.5644 0.9407 1.3961 1.0027 0.7339 1.1329 0.8010 0.9801 0.9184 1.2449 1.3648 0.9149 1.5090 0.8835 1.2052 1.3506 1.1958 0.9071 0.7623 1.3989 0.5105 0.7132 1.5142 1.0884 1.1251 0.9391 1.0149 0.8917 0.6328 0.7979 1.3377 1.0836 1.0894 0.6737 1.1328 1.0285 1.2902 0.8168 1.8539 1.2452 1.2797 0.9408 1.2832 1.0487 0.7341 0.8471 0.5788 0.9375 0.8273 0.7966 0.6510 0.7268 1.0317 0.9288 1.1554 0.7290 0.9592 0.9120 0.9547 1.2907 1.0027 0.8367 1.1236 0.8200 1.2225 0.9391 0.9179 1.2447 1.1693 1.0706 1.0948 1.3893 0.6562 0.8417 0.7012 0.6048 1.2088 0.5757 1.5214 1.2451 1.2464 0.9918 0.7956 0.6885 0.9137 0.8553 1.0707 0.9681 1.0890 1.1529 1.2709 1.0481 0.8876 0.6055 0.7701 0.7679 1.6944 1.2076 1.0000 0.8376 1.1198 0.8705 0.6693 0.9838 1.0037 0.9676 0.8025 1.0969 0.7716 1.0531 1.1236 1.2179 ascorbic acid 3-sulfate* 0.8269 0.7389 1.3931 0.9724 1.0000 3.0946 1.3726 0.5081 1.0805 0.7183 1.1250 0.8876 1.5401 0.3757 1.4956 1.1364 2.5305 1.1110 2.1527 0.5642 1.3647 1.6269 1.4547 0.7760 0.3678 0.8311 0.6090 1.0032 0.8098 0.7840 0.8558 1.1369 0.5492 1.0652 1.2281 1.1592 0.4328 0.7942 0.9101 0.6336 0.4108 0.7052 1.1434 2.2869 1.1830 2.0224 1.1037 1.4370 0.5501 0.7049 0.6050 1.8443 0.4792 1.3618 1.3190 1.2540 0.4195 1.2176 1.0739 1.3533 0.7359 1.2814 0.8959 1.4843 0.4889 0.4308 3.1636 0.4649 0.7400 0.8032 0.6006 0.6471 0.6234 0.8642 0.5294 0.8930 4.7728 0.8517 0.8073 0.7664 0.8058 0.8844 1.3851 1.1972 1.0488 1.3377 0.9333 0.7032 1.1894 1.6425 0.9352 0.5841 1.0745 0.8439 0.6497 1.7785 1.1146 3.1887 1.6374 2.1200 0.7338 0.9601 0.5876 0.9093 0.6667 1.0943 0.9386 1.0754 2.5165 1.1025 1.3270 1.2428 0.9867 1.7782 1.2806 2.2368 1.3138 4.6616 0.6603 0.8136 0.6509 0.6775 1.8522 1.6863 1.0897 0.5256 1.6933 1.4539 0.7852 0.7317 1.1944 asparagine 0.9438 0.9029 0.8916 0.9150 1.3193 0.7030 0.8781 0.9968 0.7042 0.9067 0.9642 1.0269 1.0123 0.7365 0.8657 1.0040 1.1440 1.1298 0.9047 0.8893 0.7871 0.8863 0.9297 0.7956 0.8080 1.0173 1.0212 1.0233 0.9096 0.8624 0.7433 0.8533 0.8121 0.8886 0.8166 0.7587 1.1136 0.9015 0.9123 0.7543 1.0507 1.0491 0.9870 1.0973 0.9541 1.1592 1.0731 0.7678 1.2604 0.7979 0.8452 1.2396 1.0151 0.8744 1.2490 1.2271 1.4915 0.7881 0.8300 1.3188 1.2053 1.2259 1.1659 0.9040 1.4717 1.0737 1.2571 0.9857 0.9513 1.7313 1.2130 1.0112 0.7569 1.5616 1.0177 1.2097 1.0624 1.0342 1.1227 0.8575 1.1586 1.1339 1.1000 0.9329 1.1175 1.3570 0.9779 1.2795 1.2874 1.1822 1.1374 1.2606 1.0000 1.3767 1.6234 1.1314 0.8166 0.9834 1.0419 1.0379 0.9535 2.2940 1.0000 0.9509 1.2929 0.9069 1.0083 0.8805 1.2586 0.9021 0.9225 0.8307 1.1753 0.9923 1.2475 1.0117 0.9011 0.9679 1.1350 0.9799 0.7267 0.9434 1.2210 1.0324 0.9075 0.9257 0.9300 1.2090 1.0209 0.9410 0.9381 aspartate 0.8836 0.6843 0.9881 0.9214 3.8860 0.6759 1.2057 1.2035 1.1675 0.7072 0.9597 2.2647 0.8074 1.2595 1.5485 1.6791 1.1743 1.8598 0.8409 1.6930 1.6397 1.1795 2.9220 0.7602 1.2023 1.0165 0.9529 1.4559 1.0215 1.6186 1.4539 1.6226 1.4694 1.1761 1.0593 1.4417 2.0349 2.0002 1.4329 0.7888 1.7672 1.1240 1.5948 1.4929 1.3989 1.0960 1.1815 1.4561 1.3325 1.9311 1.0492 1.3353 0.9050 0.4386 0.7396 0.6776 1.0447 0.7482 0.6954 0.7607 1.0846 0.5634 0.9721 0.9306 0.9613 0.9179 0.5603 1.3136 0.5188 0.8230 0.7748 1.1820 0.4923 0.9306 0.7117 1.2939 0.5785 0.6186 0.6263 1.3614 0.8984 0.5718 0.7468 1.0479 0.3953 1.1562 0.8695 1.2034 0.9562 1.1730 0.6705 0.6932 0.9078 0.3464 0.5999 0.5683 0.6964 0.8084 1.1218 1.3412 1.2125 1.1954 1.0000 0.7990 0.6982 1.0326 0.3936 1.7869 1.9244 0.6391 1.2328 1.2068 0.8869 1.1962 0.5909 0.4872 0.6790 0.7425 0.6076 1.5842 1.3033 1.0724 1.2004 0.7293 0.6291 0.9159 0.9224 0.5191 0.4296 0.5913 1.7098 atenolol 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 azelate (C9-DC) 0.3891 1.7893 0.3891 0.6706 126.6679 0.7313 0.4089 4.9760 0.3891 1.5608 0.3891 2.2597 1.2724 0.3891 0.3891 1.3942 2.2489 0.8857 1.0861 0.9713 0.3891 0.6778 0.8597 2.7862 0.5956 0.8443 1.1669 0.8914 0.3891 0.3891 0.3891 1.2168 0.6605 1.1918 0.9686 0.4296 0.3891 1.2263 0.3891 1.5020 0.6254 0.3891 0.5851 1.3205 3.7961 0.3891 1.7524 3.3530 3.3578 0.3891 0.3891 1.4479 1.0000 1.4781 0.7180 0.5236 0.3891 0.3891 0.5650 0.3891 0.8634 1.5254 1.6149 0.8027 0.6395 0.3891 0.3891 1.4070 0.8747 0.6339 0.3891 0.9360 0.7176 0.3891 0.3891 0.3891 1.7792 0.3891 0.3891 1.2633 0.3891 0.9923 0.8822 0.3891 1.2569 0.7785 1.9575 0.5479 0.3891 0.3891 2.7244 0.3891 0.3891 1.3015 1.7603 0.3891 0.3891 0.7497 0.3891 0.3891 0.3891 2.9143 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.3891 0.8687 0.3891 0.4761 0.3891 0.3891 0.3891 1.1461 0.3891 2.3964 0.3891 0.9396 0.7712 0.3891 0.3891 behenoylcarnitine (C22)* 1.0560 0.8654 1.1648 2.7116 0.9463 0.9714 0.9490 1.2635 0.6581 1.3485 0.4189 5.0566 0.4189 0.7279 0.8623 0.4635 1.1577 0.4189 0.7437 0.7362 0.6111 0.5463 1.0539 0.5859 0.5600 1.2271 0.6526 0.4999 0.4577 0.6040 1.0827 1.7518 1.2003 0.6228 0.4189 0.7370 1.0937 1.1119 0.4189 0.4189 0.5188 0.5694 0.4189 0.4189 0.9077 0.5902 1.1749 1.1362 1.0525 0.7710 1.5458 1.3360 0.4189 6.2937 2.9279 1.8583 0.4189 1.5641 0.8663 3.6799 0.7615 0.8430 1.7703 0.8598 1.7536 1.1711 1.7653 1.0162 1.0636 5.5073 0.9869 0.6752 0.9292 4.4576 0.5405 1.0000 1.6557 2.0328 0.9341 2.1725 0.8486 1.1022 0.9659 1.2417 1.0866 3.4969 1.3594 0.5172 0.5496 1.0159 0.7266 1.7021 2.2341 1.9743 1.2298 1.1549 1.7629 0.6690 0.8027 0.8684 0.8708 1.5973 1.9070 0.9070 1.3542 4.4748 0.7269 0.7722 1.4926 1.5096 0.8432 0.6067 0.8474 1.5535 0.4189 0.8631 0.6268 0.8709 0.8190 0.7491 1.1283 1.0108 0.6943 1.1330 0.5560 1.0396 0.8747 1.2870 0.8375 0.7489 2.4598 benzoate 0.8453 0.9211 0.6676 1.0134 0.9946 0.9514 0.9057 1.5219 1.2703 1.1823 0.8795 0.9406 1.0656 1.0871 1.3844 1.1068 1.4773 0.9462 1.8543 0.9526 1.0937 0.9702 2.3583 1.0198 2.1844 0.9407 1.1481 1.0042 1.0679 1.1945 0.7806 1.1305 0.9122 3.0769 0.7892 0.8099 0.8374 1.0846 1.0892 0.8931 1.1487 1.1271 0.7106 0.7895 1.0844 0.9898 1.3126 0.9060 0.9653 0.9449 0.7498 0.8792 1.2103 1.1293 1.0000 1.3434 1.1141 0.9430 0.7846 0.7341 0.8159 1.1237 1.7294 1.0474 0.7876 1.1060 1.1865 0.9311 1.0861 1.1132 1.2951 1.0119 1.3730 0.8731 0.9519 1.3719 1.2509 0.9199 0.9244 2.5111 1.1401 1.3338 0.9389 0.8572 0.9741 1.2148 0.9862 0.9420 1.2927 0.8801 1.1172 1.3345 0.8961 1.0774 0.8753 0.8978 1.0003 1.1471 0.5394 2.4245 3.2631 1.3220 0.9572 0.9557 0.9391 0.8229 0.8786 0.8802 1.1007 0.9149 0.9123 1.0760 0.8078 0.9912 0.8999 0.9997 1.4797 1.2144 0.8396 0.9185 0.9726 0.9404 0.9899 1.0082 1.6085 0.6675 0.9395 3.7412 1.0920 1.0851 1.0586 beta-alanine 1.1370 1.0024 0.3465 0.8901 1.9779 0.9826 0.9562 1.5749 0.9230 1.3979 1.1673 1.5614 0.7001 0.7934 1.0654 0.7598 1.6633 1.1561 0.9976 1.1844 0.5597 1.6619 1.2974 0.7462 1.0189 1.2153 1.1719 1.2157 1.0987 0.9819 1.3263 0.8485 0.4796 1.6769 0.7896 1.1220 0.8807 1.9900 1.2925 1.0154 1.2556 1.3195 0.7034 0.8136 1.0762 1.5265 1.4364 1.2647 1.6208 0.8236 1.1575 1.2405 0.9885 0.6840 1.1722 0.1226 0.1226 0.5340 0.8341 0.1226 0.1226 0.6748 0.7754 0.8352 0.1226 0.8785 1.5943 0.5891 0.9146 0.9076 0.7854 0.9243 0.9472 1.1773 0.6584 1.3255 0.7991 0.8967 1.0132 0.9818 0.8592 1.2280 1.4377 0.8342 0.5854 0.7945 1.1359 1.4500 0.5377 0.6143 0.7802 0.1226 1.3234 0.2418 1.1952 0.8142 0.6404 0.8453 0.8875 1.0167 0.9157 1.1369 0.8617 1.0838 0.7184 0.7726 1.4851 1.4173 1.1851 0.9331 1.0787 0.9597 1.2190 0.8206 1.4218 0.1226 1.5040 1.1548 0.8301 1.1172 1.1547 0.2671 1.3162 1.3269 0.9711 1.3091 1.4193 0.9336 1.0969 0.1226 0.7797 beta-citrylglutamate 0.8841 1.2115 1.3733 0.8627 0.2693 0.9024 0.5506 0.6985 0.9489 0.6306 1.5574 1.1815 0.9313 1.2989 1.4687 2.9010 0.8455 1.2316 1.1929 1.3443 1.3705 1.4313 1.6116 0.8502 1.8742 1.1905 0.9976 1.1745 1.1736 1.8181 1.0736 1.5727 1.4843 1.6011 0.9368 0.8512 1.1955 1.0787 1.1730 0.6757 1.2360 1.0177 1.1071 1.2427 1.1514 2.0885 1.8720 0.9607 0.7218 1.5412 0.7861 1.0284 0.6804 0.6524 1.4727 0.6636 0.8186 0.8738 1.5705 0.6435 0.8779 0.4345 0.7107 0.5347 1.0000 0.6702 0.5097 0.8191 0.4845 0.5862 1.0097 1.0320 0.5292 1.0868 0.9382 1.4477 1.3905 0.9407 1.3281 0.9758 0.7263 0.7326 0.8170 1.2007 0.5312 1.6117 1.3440 1.2259 0.6069 1.1594 0.5924 0.6481 0.8315 0.5881 1.1607 0.8646 0.6185 1.0018 1.2048 1.5608 2.1305 0.6435 0.6758 0.8421 0.9635 1.0116 0.7833 1.4601 2.8039 0.9633 1.3213 1.5322 1.8195 0.5614 0.7636 0.7830 1.1463 0.8375 0.7983 1.2117 0.9721 0.9482 1.2757 1.3801 0.5351 1.0918 1.3960 0.4180 0.7574 0.7590 1.5964 beta-cryptoxanthin 0.1895 0.7838 0.4504 0.5879 0.6185 1.2311 0.7683 0.0668 0.4281 0.5453 0.3604 0.4736 0.5639 0.3284 0.9509 1.1183 2.2468 0.4181 1.0143 0.5733 0.6455 0.4945 0.2252 0.2391 1.3065 0.7163 1.0686 0.9223 0.3000 0.4826 0.5858 0.8697 0.0343 0.2156 0.2043 0.9057 1.1926 2.6650 0.4584 2.4909 0.3455 0.7585 0.6479 1.2318 0.4105 0.6365 1.8066 0.5153 0.3022 1.3089 2.0108 1.3786 1.1649 4.3070 1.3389 4.8168 0.5806 1.6074 1.3239 4.5958 1.6065 1.1848 4.7868 2.4114 1.2878 2.8590 2.0089 1.4503 1.8727 1.6438 1.0000 0.7332 3.1329 1.6810 3.2319 2.0392 3.8388 1.6422 2.6062 1.1645 1.9556 1.4357 2.5750 6.4289 3.7347 1.9556 2.9063 1.0681 2.0144 0.9376 1.9114 3.3789 3.8749 3.8356 1.3607 0.9461 0.7351 0.5586 2.1932 1.0016 1.2178 1.0057 0.5158 0.9720 0.6092 1.3736 1.8814 1.3037 0.6159 0.7629 1.1690 0.2479 0.9564 0.8198 0.4842 2.3163 0.4505 0.6192 1.6061 1.1889 1.3078 0.2834 0.1690 0.5421 0.7699 0.4141 0.5306 0.2322 0.2369 0.3884 0.4680 beta-hydroxyisovalerate 0.6230 0.9849 1.6271 0.9186 0.8009 0.6601 1.7358 1.6037 0.2462 1.1422 1.0838 0.4461 1.0189 1.0757 2.1438 1.8513 1.7954 1.5654 1.7621 0.5663 0.8132 1.1430 0.8615 0.6447 2.8326 0.6231 1.2564 0.8339 1.1983 1.5846 1.2704 0.6992 0.3613 1.5367 1.4780 1.8124 0.9171 1.7956 1.1435 1.6800 1.7947 1.2817 1.1499 2.1519 1.9076 1.7584 0.9796 1.6824 1.2917 1.0272 0.9239 1.0896 0.6197 0.2789 0.9785 1.1107 0.8057 0.4909 0.6320 0.1770 0.9110 0.5485 1.2726 1.0642 0.2873 0.8596 0.5548 1.1618 0.6627 0.6363 0.7657 0.8790 0.7465 1.0000 0.5625 1.4046 0.2796 0.9636 1.0913 0.3425 0.7321 0.9198 0.8094 0.8669 0.6761 0.8202 1.3795 1.1123 1.1210 0.8059 0.9772 0.7588 1.5031 0.7899 0.9417 0.5114 2.3510 0.6034 1.5132 0.9148 0.9963 1.7757 0.5563 0.6880 1.0908 1.3490 0.9768 1.0555 1.8363 1.1914 0.8446 1.4441 0.9267 1.4213 1.5970 0.4633 1.2158 1.5560 0.9517 0.6685 1.0848 0.6709 0.8917 1.8989 1.0008 1.0551 1.1348 1.0985 1.3188 1.4196 0.8884 beta-hydroxyisovaleroylcarnitine 0.8558 1.1124 1.7063 0.9825 0.9531 0.9175 1.1159 1.3649 0.7764 0.5851 1.5109 0.8119 1.5319 0.5947 1.7044 2.1927 1.0472 1.2649 3.1951 0.8040 1.1298 0.7642 0.7201 1.1590 2.1542 0.7688 1.6115 1.1349 1.2040 1.6120 0.7912 0.4577 0.2700 1.6426 1.3935 1.5420 1.6515 1.3797 0.8947 2.4135 1.2458 1.0000 1.2763 1.1568 1.1232 2.0369 1.1697 0.7106 2.0243 0.8911 0.7872 1.3954 0.9073 0.7293 1.8849 0.6495 0.9742 0.9848 1.0419 0.3065 0.9838 1.0659 1.2351 1.3168 0.6031 0.9225 1.0563 0.5165 0.5596 0.7089 0.7859 0.8531 1.2306 0.8427 0.6364 1.1127 0.8358 0.8123 1.0924 0.5671 0.6320 0.7826 0.5383 0.4578 0.5323 1.1239 0.9939 1.1606 0.7246 0.8163 1.1568 0.2378 1.7360 1.1766 1.0853 0.9327 1.0957 0.8648 1.3682 1.2638 0.1943 1.5915 0.8238 0.8373 1.0811 0.8814 1.0813 0.7264 1.1560 1.6799 0.6807 0.2711 0.9691 1.4640 0.1943 0.1943 2.1435 0.9008 0.8824 0.7606 1.1640 1.2842 1.0289 1.2475 1.0414 0.7963 0.2543 0.9846 1.1818 1.1780 0.7395 beta-sitosterol 0.2792 1.0522 0.9933 0.2792 0.4698 1.4066 0.8296 2.3917 0.3012 0.2792 0.2792 0.3215 0.2792 0.2792 0.2792 0.2792 2.7050 0.2792 0.2792 0.2792 0.4632 0.2792 0.2792 0.2792 0.2792 0.8040 0.2792 0.2792 0.2792 0.2792 0.3592 1.3261 0.2865 0.2792 0.2792 0.4373 0.2792 0.2792 0.2792 0.2792 0.5524 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 1.5779 0.2792 0.3861 3.6168 2.2331 0.8056 3.3452 0.2792 1.8689 0.6047 1.8880 1.5734 0.7037 0.6968 0.5852 1.2815 1.3848 0.9752 1.4892 0.2792 0.8081 0.3122 1.2488 1.2596 0.2792 0.8187 2.6738 1.9316 0.9202 0.3375 1.8797 2.2205 0.2792 1.7737 1.4297 1.3085 0.4507 1.1157 1.4365 0.3631 1.2301 1.0595 2.7124 1.1384 0.2792 0.2792 0.2792 0.2792 0.4217 1.0067 0.2792 0.4229 0.2792 0.6889 0.5421 0.2792 0.2792 0.4922 0.2792 0.4091 0.2792 1.5694 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.2792 0.9696 0.2792 0.2792 0.2792 1.1575 0.2792 0.2792 0.2792 betaine 0.8142 1.1644 0.7151 1.0158 1.6369 0.6045 0.9425 0.9611 1.0432 1.1868 0.6069 0.7616 0.7941 0.8088 0.8081 0.6370 1.0109 0.9861 0.9891 0.7383 1.0574 0.7529 0.7221 0.8262 1.1118 1.2467 1.0486 0.6396 0.9199 0.6873 0.8429 1.3486 0.6817 0.8259 0.9274 0.8182 1.0254 1.1505 0.8687 0.6808 0.9591 0.9641 0.7398 0.8899 1.0973 0.5993 1.1116 1.3050 1.4818 0.7320 1.0588 0.9338 0.4911 0.8058 1.0191 1.3074 0.6769 0.9165 0.6737 1.9553 0.8110 0.8260 1.0563 1.1412 1.1128 1.0591 1.4173 0.7739 1.0884 0.4010 0.9813 0.9027 0.6241 1.2947 1.1168 1.1754 0.5971 1.2056 0.8112 0.8755 0.8624 1.3800 0.9384 0.8074 1.0532 1.1441 1.4050 1.0235 0.7468 1.0497 0.9147 0.7268 1.2549 0.9205 1.1358 1.1459 0.9462 0.9613 1.2068 1.4947 1.1305 0.6707 1.2109 1.0015 0.8480 1.1488 1.4295 1.1820 1.2731 1.1448 1.0207 1.3151 1.1161 0.7044 1.4000 1.3427 0.6370 1.2717 1.2332 0.5354 1.1463 1.0000 1.5688 1.0502 1.0076 1.5150 1.1399 1.0972 1.3760 0.9257 0.7870 betonicine 0.3344 0.0633 0.1396 1.4408 0.8644 0.3897 3.5375 1.9460 0.0633 1.3390 0.0633 2.6124 0.2679 0.3585 2.1183 0.0633 6.9941 0.4530 0.0633 2.7494 2.9764 0.0633 0.0633 0.4544 0.0751 7.1453 0.2530 0.0633 0.2833 0.0633 0.5124 0.8478 2.0457 0.0633 0.0633 0.0633 0.1540 0.6935 0.0633 0.0633 0.0633 2.5428 0.0633 0.0633 0.5341 0.0925 0.0633 0.3300 80.0980 0.0633 1.8078 1.0723 0.1396 3.1224 0.5914 0.0633 0.3277 0.0633 0.4492 0.0633 0.5025 0.0633 15.8343 0.5735 0.0633 0.0633 1.9465 0.3450 0.8054 1.8225 4.0251 0.4583 0.0633 3.8580 0.0633 1.6444 0.2784 2.1393 1.3923 1.6714 0.0633 4.8082 18.3415 0.0633 0.7798 0.0633 0.3068 1.2784 0.0633 7.7532 0.1981 1.3142 1.4202 10.9137 1.4770 0.9134 0.5322 0.0633 0.9176 0.0633 3.3712 0.0633 1.2539 0.0633 0.9277 3.1703 0.6908 0.4095 0.0633 1.5131 0.0633 0.8169 1.0855 2.0961 0.1037 0.0633 0.0633 0.0633 3.2412 0.0633 0.2162 0.0633 0.3057 2.6474 0.0633 0.0633 0.0633 0.0633 0.0633 0.0633 2.9363 bilirubin (E,E)* 0.8255 1.8219 1.3401 0.7920 2.9725 0.7894 1.1961 1.1153 0.4393 0.8462 0.9083 0.6587 1.4212 0.3034 0.4856 0.2816 0.8940 0.9649 2.1589 0.6752 0.7313 1.1997 0.7730 0.2574 1.1172 0.7759 0.6447 1.0421 0.6186 1.0294 1.8594 0.6560 0.2163 0.4385 1.4203 1.6327 0.3458 1.4718 1.1676 0.2336 0.8540 1.4040 0.8272 2.8943 0.5726 1.0219 0.6775 0.7409 0.2677 1.0691 0.7339 0.4945 1.0382 2.1614 0.6964 1.0768 0.3531 1.3081 1.1422 0.3433 0.3397 0.5835 0.6633 1.6072 0.7888 0.6011 0.5830 1.6949 0.7646 0.6851 0.4494 0.5466 1.0071 0.7795 1.3594 0.8166 1.9059 0.4164 0.6813 0.8319 2.2032 3.5228 1.3649 0.6698 1.7415 1.3082 0.8109 0.6356 0.9929 1.1875 0.6526 0.7812 1.0691 0.3284 0.6099 2.2321 1.6023 0.7295 1.4212 1.9069 0.2163 0.8919 1.1291 1.6785 3.9505 1.2577 4.6513 1.4360 2.7031 0.4694 3.0582 0.5991 1.8382 2.6629 1.3755 1.7080 0.7866 3.3434 1.5675 0.7376 1.8880 0.9489 2.8080 1.7159 1.1869 1.4050 2.0976 1.9209 2.7805 2.4702 1.0703 bilirubin (E,Z or Z,E)* 0.5003 1.2074 1.6474 1.0227 2.3858 0.8684 1.0357 1.0056 0.4484 0.5838 0.8670 0.4913 0.5760 0.3153 0.5079 0.2181 1.0726 0.9905 1.7727 0.2640 0.9059 1.2319 0.3314 0.2311 1.0293 0.4382 1.0114 1.0739 1.0297 1.0011 1.3834 0.5871 0.4345 0.3813 2.4031 1.7524 0.5837 1.5753 0.8209 0.5422 1.8631 1.5816 0.9231 2.4925 1.0461 1.4209 0.9016 0.6516 0.3802 1.0534 1.2246 0.5090 0.9298 1.1070 1.2624 1.1226 0.7736 0.9292 1.2906 0.2691 0.3007 0.4643 0.5772 1.5870 0.9953 0.9964 1.0724 1.3874 1.0448 0.5958 0.7434 0.4515 1.2151 0.8538 2.1342 1.4971 1.2145 0.4261 0.7819 0.6751 2.1303 3.1213 1.8200 0.8442 1.7859 1.1766 0.7142 1.3293 1.1187 1.5100 0.6358 1.0010 1.5190 0.5522 0.6631 1.9733 1.7761 0.5191 0.7220 1.3286 0.2181 0.6866 0.9679 0.9032 1.8347 1.1869 2.0373 0.6097 1.9889 0.5946 1.1816 0.2181 1.2350 0.7344 1.1776 1.0096 0.4986 1.5093 1.0396 0.5620 1.1185 0.5309 0.8302 1.0000 0.5839 0.7891 1.2174 0.5062 1.0653 1.2204 0.9091 bilirubin (Z,Z) 0.5454 1.1551 1.6485 1.5310 1.7150 0.8487 0.9646 0.9094 0.4386 0.6851 0.8190 0.6168 0.8014 0.9950 0.5453 0.6854 0.9178 0.9016 1.8908 0.6978 0.9085 1.0488 0.8990 0.2806 0.8465 1.9014 1.0703 1.0502 1.0177 1.1500 1.4639 0.8067 0.4628 0.4688 2.5302 1.5082 0.7933 1.3554 0.9710 0.8985 1.8181 1.6358 0.9126 2.9438 0.7982 1.4140 0.8291 0.6937 0.4455 1.0599 1.2885 0.5277 1.0138 0.9408 1.2532 1.2401 0.8957 0.9777 1.3056 0.7943 0.8713 0.7812 0.7569 1.3324 1.0355 1.1138 1.0058 1.4738 1.1212 0.6857 0.9268 1.1044 1.0842 1.0250 2.1203 0.9961 0.8987 1.0369 0.8461 0.6670 2.4369 3.2369 1.6599 0.9978 1.5545 1.0737 1.0375 1.6547 1.2200 1.3821 0.8925 1.0285 1.4718 0.7971 0.8179 1.9590 2.1701 0.6154 0.8268 1.3204 0.9392 0.6218 1.0805 0.8748 2.0503 1.1507 2.1698 0.9324 2.1898 0.9292 1.3067 1.1990 1.1297 1.0762 1.1099 0.9835 0.6047 1.5572 1.0000 0.7241 1.1958 0.7341 0.8596 1.0917 0.6255 0.7642 1.1906 0.6624 0.9887 1.1578 0.8230 biliverdin 0.7007 1.4495 1.1288 1.7654 2.3932 0.9739 0.9130 1.6644 0.3353 0.7443 0.9920 0.3404 1.2925 2.0735 0.4200 2.4812 0.6771 0.6895 2.0879 1.8234 0.5068 0.8756 1.8618 0.3246 1.0626 5.7862 0.9638 0.7676 0.5909 1.0588 1.3386 0.4546 0.2949 0.3093 2.3279 1.1775 0.4020 1.3759 0.7767 1.3687 1.8727 2.1704 0.5778 2.3984 0.5328 1.2742 0.8364 0.4434 0.4034 0.7304 1.2333 0.2232 0.9346 1.2538 0.7744 1.1816 0.7289 0.9077 1.3869 1.3593 1.2213 0.8324 0.3977 1.2238 0.6195 0.8799 0.5424 1.2929 0.7921 0.4536 1.0186 2.4241 1.0054 0.6899 1.7922 0.7468 1.2679 2.1336 0.5047 0.5155 1.9467 3.4696 1.4496 0.5739 1.2852 0.8748 0.5450 1.6972 0.7265 1.1188 0.6578 0.7078 0.8187 0.6848 0.4296 2.1830 2.8509 0.3321 0.8437 1.4282 8.7501 0.5245 1.1828 0.6496 2.3054 1.0573 2.6164 0.8881 1.2993 1.1789 1.5025 3.0992 0.8018 1.2351 1.1606 1.0282 0.3275 1.7984 0.9271 0.4830 0.9650 1.0057 1.0000 0.8245 0.3218 1.1474 1.3488 1.1957 1.4920 1.0320 0.9525 branched chain 14:0 dicarboxylic acid** 0.0400 0.0400 0.0400 0.3839 0.3187 0.4020 0.1597 0.8686 2.2785 2.3778 0.3900 3.0798 0.7189 0.1625 0.9979 0.0400 0.0400 0.2873 0.0690 0.8648 1.0672 0.7266 0.4640 0.3270 0.2037 0.3864 1.6744 0.1705 0.0400 0.0400 0.3408 0.5401 0.1771 0.0400 0.0400 1.2245 0.5373 0.6058 0.1210 0.3610 0.0400 0.4343 0.1051 0.1964 0.3250 1.3497 1.5558 0.0400 0.2823 0.0400 0.3221 1.1832 1.2119 1.3740 1.0881 7.4253 0.8233 0.0400 2.0328 8.3350 1.1556 0.8929 1.6924 1.4180 0.8417 2.3417 1.9913 4.5433 1.9314 7.2644 0.7497 0.3749 0.5323 0.5342 0.9751 2.4494 0.2952 2.2683 1.1031 0.5404 3.1440 1.0659 2.4052 2.4768 3.5435 1.9013 3.9590 1.7741 4.4369 1.4511 1.6228 3.6470 1.8694 1.2862 1.9619 0.8868 2.5002 2.3620 0.5687 1.1414 0.7488 1.7379 0.4442 0.6903 1.5049 1.9792 2.3070 0.6447 2.3699 3.1532 1.4708 1.0021 2.1143 0.2255 0.1529 1.3337 0.0693 0.9823 0.8826 1.7351 2.2551 1.1226 0.9493 0.2162 0.9109 1.4889 0.8405 0.0400 0.9671 0.1472 1.2056 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* 0.7059 2.6483 0.7117 1.3031 0.7159 0.9228 0.8605 1.0859 1.3805 1.9223 0.7527 0.6203 0.4131 1.5650 0.6307 1.0876 1.5709 0.3434 0.2489 2.2253 0.9208 0.7061 2.3791 0.4586 0.5270 0.3630 0.2395 0.8449 0.6347 0.2313 0.8056 1.5216 4.4172 0.8133 0.3474 1.1262 1.1602 0.3491 0.5803 0.3933 0.6139 0.7496 0.6243 1.4938 1.4920 0.4686 1.1937 4.4616 1.1220 0.8809 1.0391 0.4243 2.1744 1.5876 0.9092 1.0355 1.3887 1.0032 0.9112 0.6032 0.8462 2.7715 2.6234 0.7494 1.6865 1.1266 0.4126 1.6680 0.9650 3.3012 2.6815 3.7827 1.1117 3.2286 0.7346 1.3575 2.9343 1.8788 2.3398 0.5632 1.9586 2.4639 1.8097 1.0586 0.6986 1.1666 0.6184 1.1810 1.3963 0.3272 1.5932 0.7847 0.4056 0.9455 0.6221 2.4584 1.3879 0.6709 0.7496 1.0797 1.5288 1.9698 0.5705 0.8057 0.3685 1.4115 1.1030 1.4227 0.8114 1.1455 1.4949 0.6763 1.4042 0.9469 0.5423 3.0437 0.5879 0.6360 0.6203 0.4365 1.3078 0.9008 1.1162 2.0793 0.8276 0.6245 1.4055 0.5241 3.3041 1.4336 1.0000 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* 0.5710 1.5404 1.2921 1.1969 0.9033 0.4105 0.7280 1.1915 1.3033 2.0354 1.4787 1.0132 1.0859 2.3094 1.5207 0.8938 1.2703 1.0830 0.4981 1.1039 0.2213 0.2213 0.2213 0.6449 1.4981 0.3913 0.2213 1.2098 0.2213 0.2213 1.0470 0.8705 0.9759 0.9821 0.2213 1.0123 0.2213 0.7483 0.7429 0.2213 0.2213 0.9353 1.1759 1.4531 0.5376 0.2213 0.6791 2.6987 0.8701 1.3302 0.2213 0.5201 0.2213 0.4567 0.3120 0.8069 0.2213 0.7669 0.5862 0.2213 1.0000 0.9664 0.7703 1.0024 0.8555 0.2213 0.9894 1.1206 0.2213 1.2132 0.6932 0.4902 1.0121 0.2213 0.8664 1.1212 1.0550 0.2213 0.6384 0.6123 0.6269 1.6861 1.3612 0.2213 0.5260 1.3646 0.4328 0.6958 0.8745 0.9067 1.8591 0.6714 0.3992 0.2213 1.0922 0.2213 0.8058 0.5449 1.1287 0.9754 2.8992 1.1324 0.2213 1.0801 1.4831 0.2213 0.8506 0.2213 1.1803 0.2213 1.4616 0.7831 1.5988 1.0925 1.4182 2.3843 0.7025 1.5453 0.6392 0.2213 1.8599 0.7438 1.1931 1.5334 0.6667 1.0629 0.9357 1.0961 2.1881 0.9913 1.0947 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (3)* 1.3031 1.7638 1.7730 0.6075 0.5151 0.7358 1.3009 0.1798 0.1798 1.4512 1.9704 0.1798 0.1798 0.1798 1.2914 0.1798 0.2708 1.2708 0.1798 0.1798 0.4063 0.1798 0.1798 0.2790 1.1483 0.1798 0.1798 0.9129 0.7051 0.1798 0.9713 0.1798 0.1798 0.1798 0.5726 1.4621 0.1798 0.1798 0.1798 0.5222 0.1798 0.9378 0.1798 0.1798 0.8945 0.6543 0.6108 0.1798 0.5348 0.1798 0.1798 0.1798 0.4059 0.7762 0.1798 1.3418 0.1798 2.1158 0.9401 0.5178 0.5440 0.8937 1.0314 0.1798 0.7074 0.1798 1.3129 1.5911 0.1798 1.4883 2.9275 0.7823 0.1798 0.1798 0.1798 0.1798 0.1896 0.1798 1.3727 0.6528 0.5326 0.1798 2.0389 0.1798 0.1798 0.5860 1.0000 1.1572 0.5565 0.4219 0.1798 0.7497 0.1798 0.1798 0.1798 0.1798 7.2001 0.1798 2.7195 1.2109 0.1798 1.6363 0.1798 1.6748 0.9145 0.6339 0.7156 0.1798 1.4565 0.1798 0.1798 0.1798 1.2497 1.6327 2.2187 0.1798 0.1798 1.3223 1.1132 0.1798 2.9846 1.3548 1.2764 0.1798 0.8853 1.5631 1.0511 0.9272 1.3796 1.7389 0.6258 branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* 1.0924 2.1509 1.8330 0.8230 1.3306 0.3807 1.0544 1.0230 0.7111 1.3586 2.0301 0.6572 1.8411 1.4315 1.0985 1.5969 0.5644 0.3007 0.5513 1.3831 0.7120 0.9347 1.2835 0.8787 1.4720 0.7561 0.6929 0.8127 1.0767 0.6638 0.8369 0.3629 1.0448 1.7003 1.1277 0.9424 0.8385 0.5881 0.8218 0.7308 0.5140 1.0122 0.8417 0.7917 0.4912 1.2872 0.8902 0.8307 0.3350 0.8145 1.0060 0.3058 1.0000 0.7609 0.4490 1.3314 1.1276 1.7933 1.1178 1.2063 0.6508 1.0400 0.9567 0.9705 0.9452 0.7110 1.2074 1.2985 0.6280 1.4401 1.8440 1.4186 1.2137 0.7324 1.2119 0.3978 1.0563 0.8715 1.2407 0.5252 1.8466 1.5159 2.3392 0.6584 1.1308 0.6703 1.0140 1.2696 0.7274 0.2505 0.7242 0.5569 0.6104 0.9235 0.0927 1.4409 2.0770 0.6934 1.9611 0.9662 0.9960 0.4252 0.8244 1.1830 0.9558 1.0940 1.3054 1.0002 1.3425 1.5631 1.5202 1.0867 1.3338 1.3067 1.6157 1.7699 0.4296 1.1305 0.9524 0.8193 1.8648 1.1494 0.6930 0.7386 0.7909 1.8950 0.9160 1.4507 2.2147 1.4694 0.6525 butyrate (4:0) 0.7109 0.2870 0.6880 0.4787 9.7203 0.7781 2.8234 1.0772 0.7262 1.0507 0.2870 0.7641 0.7372 1.0209 1.1065 1.1232 0.2870 0.6277 0.8876 0.8300 1.3281 1.2132 0.8904 0.7777 1.0144 0.7871 0.8525 0.7573 0.9655 1.4457 0.9505 1.6653 0.8773 0.8740 0.9262 0.7565 0.8431 0.4900 1.6756 0.9859 1.3691 1.0427 1.2439 0.8097 4.1878 0.8762 0.8430 0.2870 2.0321 0.6520 1.2528 2.0211 0.9573 1.3690 0.8055 1.0297 0.8762 0.5713 0.9366 1.0378 1.4690 0.9499 0.2870 0.9410 0.7418 1.5320 1.2344 0.8011 1.0616 2.3088 0.9426 0.4444 0.6993 1.7323 0.6067 2.5175 0.5222 1.5854 0.6881 0.5352 0.8155 2.4071 1.2966 2.7751 1.2093 1.3648 1.3055 1.5897 1.7302 1.1682 0.9458 1.3746 1.6600 0.8438 0.2870 0.9732 1.7587 0.2870 0.8302 1.6187 2.5601 1.5832 1.0061 0.8641 1.4263 5.2075 1.0223 1.0599 1.0965 1.3749 2.1317 1.1180 0.7732 0.9019 0.8456 4.8950 0.9599 1.0675 1.0000 1.5126 1.0289 0.7328 0.9062 0.8525 1.5608 1.9042 0.6895 0.7888 0.8711 0.9353 1.5288 butyrylcarnitine (C4) 0.6990 0.8454 1.3080 1.1420 1.3289 1.2657 0.9458 1.2146 0.6367 1.4209 0.9602 0.8875 0.8190 1.0692 1.2186 0.8855 1.2038 0.8879 0.2435 0.9369 1.4315 1.2993 1.2242 0.4194 0.5126 0.8393 1.1990 1.3272 1.2704 1.2681 1.7618 2.0572 1.0451 1.3174 1.6147 0.8922 0.8590 0.6043 1.0928 0.9477 1.3769 0.7452 0.8356 1.4366 1.9103 0.9692 0.7185 0.2435 1.7468 1.2346 1.2054 0.2435 0.2435 0.5298 0.6748 0.8253 0.6023 0.4930 1.7549 0.8216 1.0000 0.9182 0.4968 1.0957 1.7392 0.8818 0.5281 0.3733 0.7810 0.4479 0.7515 0.7657 0.7048 2.5360 0.5834 2.1497 0.3891 0.4024 1.1886 0.5767 0.8109 0.8570 0.6666 0.5268 0.4335 0.6986 0.5737 0.5865 0.8382 0.7689 1.9960 0.5955 1.1347 0.9100 0.2435 1.1444 2.3793 1.1923 1.0171 0.9825 1.1671 3.1929 0.6068 1.2222 2.2778 9.0503 0.9499 1.3446 2.2824 2.0634 1.0681 1.9255 1.1809 1.2246 0.7604 1.6099 2.9948 0.7711 1.2308 1.0028 0.6660 1.1821 0.6319 0.7996 1.0787 1.0526 1.1740 1.0483 5.3027 1.4204 0.6331 butyrylglycine 0.7590 0.5686 0.5787 0.6110 0.7073 1.1493 0.2398 0.2398 0.8974 0.2398 0.6714 0.7039 0.2398 1.3140 0.6918 1.0247 0.2398 0.6567 0.2398 1.3160 0.6951 1.0648 0.2398 0.6574 0.2398 0.7301 0.8993 0.9543 0.6000 0.7733 0.2398 1.6412 0.6220 1.1256 1.1399 0.4568 0.7306 0.5989 1.0241 1.1443 0.2398 0.7911 0.9061 0.2398 0.2398 0.7014 1.7082 0.5237 1.2450 1.0038 0.4525 0.2398 0.5970 1.1848 0.2398 1.8231 0.2398 1.1254 2.6280 2.0422 0.2398 0.9968 1.9363 1.3350 1.3975 1.3145 0.8353 0.7317 0.2398 0.8661 0.7350 0.5482 0.9762 1.5104 0.9247 1.6927 0.2398 1.0338 2.1652 1.0040 1.2630 1.8748 1.2430 2.3201 1.1874 1.2939 1.1990 1.6930 1.2909 3.0339 1.2406 2.0912 1.5799 0.4574 1.0287 0.6677 0.7114 1.0235 0.4751 0.9202 0.8908 1.5588 0.6986 0.6907 1.0718 1.2091 1.0188 0.4810 0.8547 1.4799 0.8261 0.7554 0.9543 1.5099 1.1516 1.2987 0.6921 0.9680 1.0032 0.2398 0.9094 1.0322 0.8609 0.7991 1.3660 0.2398 1.5107 0.2398 1.5164 0.8698 0.2398 C-glycosyltryptophan 1.1033 1.2847 1.1046 0.8393 0.8482 1.2251 0.7955 0.9763 0.8781 1.0444 1.1651 1.2445 1.1397 1.1619 0.9158 1.4528 1.0765 1.1387 1.8330 0.9418 1.3197 1.2195 0.9957 1.0642 1.3040 0.9294 1.6385 1.1357 0.8715 1.0505 1.1902 1.2354 1.0344 1.3465 1.7987 1.3681 1.1346 0.9598 1.3069 0.7261 0.8992 1.4776 1.0805 0.9566 1.6712 0.9724 1.0282 1.0152 2.2980 1.5463 1.2050 0.7981 0.6584 0.7169 0.6456 1.0494 0.8557 0.7549 0.8521 0.6711 0.9694 1.0430 1.1243 0.6691 0.8658 0.7172 0.9937 0.8795 0.5451 0.7228 0.7118 0.8430 0.7635 0.5970 0.6705 0.7319 0.6863 0.8627 0.9633 0.8656 0.8654 0.7968 0.9136 1.1993 0.8342 0.8299 0.8786 1.0087 0.9929 1.0102 0.9096 0.7917 0.8600 0.5332 0.8015 1.1837 0.6615 1.1440 1.1582 1.6750 0.7161 0.7813 0.8927 1.0050 0.9770 1.0879 0.8175 1.3215 1.1591 1.4481 0.9117 1.0000 1.1852 1.0035 0.8658 1.2645 1.6363 1.2247 0.9185 1.1285 0.9881 1.1107 1.1589 1.1047 0.8404 1.2340 0.9306 1.2682 1.4763 1.0752 1.4412 caffeic acid sulfate 0.7544 1.3527 0.1465 2.2234 0.1465 2.1344 2.0352 5.3158 0.2808 2.9101 0.1465 7.0415 0.1465 0.1465 0.8689 0.1465 17.9711 0.1465 1.0132 0.7386 11.0001 0.1465 0.5110 0.4801 0.1465 0.1465 0.3596 0.1465 0.3054 0.4430 1.7818 6.6985 0.3221 0.1465 0.1465 0.2550 0.1465 1.6339 0.6310 0.1465 3.0970 0.1465 0.1465 0.1946 15.6426 0.1465 0.4362 0.9824 6.8578 0.1465 0.1465 1.2704 0.5200 0.4979 0.9708 1.0648 2.0048 1.1382 14.6245 2.1017 1.2215 1.0979 0.4864 0.6064 0.7199 0.7552 11.7335 0.2379 1.9752 0.6294 0.4833 0.1465 0.2326 5.5337 0.1465 3.3122 2.7538 0.6764 0.3575 0.8563 4.1658 0.4898 1.2120 0.1465 0.5446 1.9721 0.6433 1.1035 4.2882 1.8717 0.3300 0.6480 0.5252 0.9868 1.4608 0.4505 0.6237 0.1465 0.2996 3.3148 2.6558 57.4375 1.3827 0.2392 3.6540 3.5463 0.6874 0.4860 2.0357 1.5485 0.5764 0.4884 1.9851 0.8330 0.6264 3.2301 1.9402 1.5253 0.8416 0.6096 0.7714 1.7195 0.6535 9.4570 3.0441 1.1122 0.1465 0.2113 6.7728 0.1465 0.9606 caffeine 1.4428 0.6346 0.0714 0.0620 0.1424 1.1122 1.8699 6.8389 8.4087 2.8708 4.2437 8.9768 0.7259 4.0802 0.0715 0.1849 0.0902 0.4895 0.0583 2.2276 0.1362 0.0469 3.3065 0.9233 0.0904 0.2723 0.2625 0.0213 0.0128 0.0128 0.4473 3.9498 2.2600 1.0000 0.0128 1.6432 1.9116 0.0128 1.0007 0.0128 2.0659 0.3722 0.1550 0.0540 1.7372 0.3278 1.3245 0.0907 1.7210 2.3662 4.0405 5.0552 1.5254 0.4577 1.2280 2.0611 1.4535 0.1731 0.2324 0.0128 1.6441 1.6792 0.7168 0.1496 1.9280 0.7878 0.1174 0.0845 0.0844 1.4276 1.1653 0.3264 0.2975 0.2278 0.8369 5.1756 16.3028 2.3499 1.8297 0.6380 8.0573 4.0464 4.6336 0.9584 1.6510 0.0128 2.6412 0.0128 16.0943 0.1887 0.4514 3.6083 0.0712 0.3374 1.1239 10.1027 0.0228 0.3888 0.2507 0.1593 5.4195 6.2936 0.3294 2.5427 2.2543 1.3496 1.4870 0.1404 1.2861 2.0281 2.2671 0.0128 5.2265 0.4929 0.4384 10.6883 0.4937 1.1823 0.3787 3.1878 0.1433 1.1660 0.0147 1.2306 0.2846 0.1992 0.9546 0.0303 4.5871 0.1741 0.1725 caprate (10:0) 0.7642 1.3083 0.8962 0.8937 0.8591 0.9943 1.0409 0.5052 0.8870 1.1914 1.2024 0.8053 0.9028 1.1740 1.0224 1.1000 1.0660 0.6353 0.4278 2.3941 1.5014 0.8061 1.4433 0.7452 1.0000 0.9590 1.4710 0.8123 0.8243 0.5483 0.9693 0.6262 8.1501 2.4518 0.6710 0.7630 0.8291 0.6141 0.5879 0.7855 1.2914 0.8133 0.5380 0.9237 1.8384 0.8060 1.3377 0.8670 0.8377 0.6624 2.1254 0.3610 1.6263 1.2486 0.6196 1.2665 1.4059 1.3739 1.3410 1.4005 1.2210 1.8420 2.3180 1.0129 1.3159 1.1558 1.0688 1.2792 1.2508 1.8913 2.5568 1.8635 0.8776 3.4182 0.9983 0.5051 2.0725 1.2994 2.6262 0.6395 2.5319 1.4596 1.9027 1.1902 1.3438 0.9633 1.3155 1.1328 1.2767 0.5380 0.8865 0.6976 0.7786 1.1305 0.2367 1.5292 7.1043 1.3303 1.1164 0.8595 0.6538 2.2287 0.8875 1.3136 0.7923 0.7257 0.8992 1.0289 0.6210 1.2549 0.9249 0.7600 1.0668 1.0320 0.8995 1.5877 0.8244 0.9521 0.6979 0.8296 4.2018 2.3137 0.8096 0.8867 0.8393 0.9129 0.8983 0.6715 1.6471 1.6871 0.6319 caproate (6:0) 0.8124 1.2012 1.0056 0.8494 1.0827 0.9354 1.3879 0.8470 0.9759 1.0363 0.8210 1.0006 0.8487 1.0350 1.2435 0.9969 1.2667 1.0248 0.8327 1.0326 0.9809 0.8566 1.8965 0.9788 0.9594 1.0526 1.6696 1.0011 0.9667 0.8581 1.1420 0.6991 1.1213 2.9218 0.9897 1.0061 1.2040 1.1489 0.9249 0.8860 0.7579 0.9887 0.9542 1.1014 1.9842 0.9476 1.1295 1.0000 1.0385 0.9017 1.4236 0.5721 0.7501 1.0664 0.9478 1.4591 0.9187 0.8834 1.0301 1.0859 0.6815 0.9854 1.1997 0.8545 0.9273 1.0297 1.0632 0.9213 0.7080 1.3481 1.4510 3.0964 0.8045 1.2920 0.8973 1.0861 0.8268 0.8840 1.1155 0.9412 0.8031 0.9090 0.9798 2.6595 0.9705 0.8881 1.2334 1.2266 1.2816 0.7665 1.1173 1.6530 1.1330 0.9919 0.6587 1.3171 3.7256 0.7500 0.9010 0.9278 1.1376 1.1465 0.9300 0.9692 1.0889 0.9087 1.2474 1.2088 0.8838 1.1377 0.8675 0.9990 0.7814 0.9001 1.0872 1.0000 1.3580 1.0177 0.8578 0.9238 1.1539 1.2199 0.8636 1.2090 1.1047 1.5752 0.9815 0.7627 1.4633 0.8584 1.4607 caprylate (8:0) 0.8841 1.2962 0.8052 1.0201 1.1443 0.8959 1.3443 0.6679 0.9527 1.2816 1.1272 0.9648 1.0892 1.1680 1.0121 0.9198 0.9489 0.9071 0.6266 1.2408 1.1374 1.0000 1.6266 0.6579 0.8689 0.8095 2.6219 0.9265 0.8443 0.7970 0.8961 0.7388 4.2454 2.7207 0.9528 1.0042 1.3661 0.9244 0.7903 0.7639 1.0048 1.0081 0.8642 1.0273 1.6062 0.8085 1.1333 1.6310 0.9967 0.9751 2.7750 0.5831 1.1249 0.8674 0.7904 1.4441 0.9754 1.2181 1.4731 1.1929 0.7230 1.1462 1.6899 1.1175 1.2368 0.9380 0.9720 1.0092 0.8480 1.4233 2.0960 1.4143 0.8066 3.3676 0.8164 0.8147 1.0552 1.0817 1.5511 0.7645 1.7330 1.2748 1.8443 1.3336 0.8673 0.7648 1.1005 1.5595 1.0037 0.6297 1.0506 0.9241 0.8427 0.7940 0.6194 1.4002 10.4375 0.9785 1.1089 0.9269 0.6769 2.2977 0.8909 1.5755 0.7177 0.8481 1.0303 0.8989 0.9663 1.1175 1.0530 0.9752 0.9981 0.9814 0.9873 1.4302 1.2148 1.1387 0.7442 0.7878 3.1872 1.6269 0.7444 0.9491 1.0062 0.7962 0.8466 0.6582 1.6036 1.3084 0.6993 carboxyethyl-GABA 1.1724 0.9183 0.1884 0.1884 0.1884 1.2558 0.1884 1.9075 0.1884 0.1884 0.1884 0.9539 0.8628 0.1884 0.8300 0.1884 0.1884 0.7031 0.5708 0.1884 0.7159 0.6011 0.1884 0.5409 1.0967 0.9357 0.1884 0.1884 0.1884 1.0428 1.4061 0.1884 0.7714 0.1884 0.5404 0.1884 0.1884 1.1150 1.1256 0.9243 0.1884 1.0881 0.1884 0.1884 1.5518 0.7141 0.1884 1.3861 1.2866 0.2358 1.1926 0.1884 0.7503 1.1041 1.2414 0.8606 0.7724 1.5275 1.0729 0.1884 0.1884 1.2814 1.0669 0.8879 0.8242 0.5710 0.1884 0.9902 0.6802 0.9181 0.1884 1.1897 0.1884 1.0950 0.9226 0.4085 1.4728 0.8963 0.5964 0.8286 1.2537 0.6846 0.7818 1.5265 0.6758 0.1884 0.7256 0.2272 1.1206 1.2601 0.5967 0.1884 0.1884 0.1884 2.0314 1.0484 0.7894 0.6967 0.9873 1.2067 0.1884 1.2318 0.8607 0.8575 0.1884 0.1884 1.1176 1.0000 1.1604 0.8649 1.0936 1.0581 1.0922 1.2646 1.2046 0.1884 0.6064 1.1860 0.2211 0.2187 1.2611 0.1884 1.0345 1.5221 0.1884 0.3509 1.2697 1.0431 1.2285 1.0464 1.4208 carboxyibuprofen 0.2249 0.1952 0.1952 0.7163 0.1952 0.4166 23.6691 65.6755 8.4714 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.2049 0.1952 0.1952 0.1952 0.1952 29.2989 0.3508 0.1952 0.1952 0.1952 0.7514 0.1952 0.1952 0.1952 0.1952 0.1952 137.5180 0.1952 0.1952 0.2488 0.6929 0.1952 0.1952 0.1952 0.4265 0.8293 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 1.1707 0.1952 0.6394 0.1952 79.9832 0.1952 0.1952 0.1952 6.1404 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 30.0976 0.1952 0.1952 0.1952 0.1952 0.7876 8.5516 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 91.9314 0.1952 0.1952 0.1952 0.1952 0.1952 2.8929 79.1833 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 0.1952 carnitine 0.6179 0.9464 1.0009 1.1035 1.1626 0.9623 1.0422 0.9551 0.8009 1.0249 0.9389 0.7785 1.0702 0.6124 1.0172 1.4249 1.1926 1.1880 1.3010 0.8455 1.2234 1.2865 0.9579 0.4225 0.7687 1.3999 1.0871 0.7666 0.9495 1.1203 1.2293 1.1374 0.8730 1.2695 1.1542 0.9528 1.1768 1.0244 0.9025 1.2170 1.0790 0.7003 1.1847 1.4197 1.1924 0.9241 1.2341 0.3940 1.1149 1.0224 0.9414 0.9988 0.8170 0.6137 1.0673 0.8368 0.9896 0.8004 0.9061 0.4643 1.0843 0.9673 0.8564 1.1433 1.0106 1.0716 0.8412 0.8168 1.0318 0.7589 0.8436 1.0501 0.9055 0.9426 0.9467 1.0031 0.4013 0.8982 0.8162 0.8905 0.8617 1.0393 1.0745 0.7979 0.8228 0.9644 0.9265 0.9736 0.8720 0.9063 1.1596 0.6953 1.1679 1.0000 1.1930 1.0062 1.3155 0.8940 1.2526 1.0598 1.3294 1.2536 0.9392 1.0471 1.1581 1.3404 0.8196 1.1332 1.3424 1.4070 1.0100 1.0313 1.1755 1.0196 0.9292 1.1222 1.2807 0.8813 1.4393 0.8938 0.8372 0.9156 0.8936 0.8359 1.1288 0.7546 0.9859 0.9599 1.1242 1.0018 0.8584 carnitine of C10H14O2 (5)* 1.1714 0.9868 1.5683 1.6626 0.9525 1.5378 0.4184 2.4444 0.9856 2.6486 0.4184 1.8521 0.5998 0.9929 0.9347 0.9803 2.7088 0.4184 0.7469 0.4184 0.8714 0.4184 0.4184 0.8056 0.4184 0.4184 0.9822 0.4184 0.4184 0.4184 1.7620 2.0497 0.7985 0.5125 1.2285 0.7580 0.8102 0.9155 1.2413 0.4184 0.4184 0.6264 0.4184 1.2936 2.6543 0.4184 1.4926 1.4260 2.4089 0.8047 1.2160 0.7858 0.4184 0.4184 0.4184 0.4184 0.4184 0.5935 0.6547 0.4184 0.4627 0.9249 0.4184 1.0335 0.7218 0.4184 0.7075 1.2579 0.4184 0.4184 0.4184 1.5586 0.5385 0.4184 0.7504 0.7326 0.4184 0.7414 0.4184 0.7821 0.4184 0.6074 2.1475 0.4184 0.4184 0.8516 0.4184 0.8638 1.0416 0.4948 0.9137 1.0246 0.4184 0.4184 1.0819 1.2057 0.9136 1.2637 1.0929 1.2687 3.3983 2.7099 0.4184 1.0071 0.6664 1.2017 0.4184 0.8972 0.4184 1.6265 1.7933 1.0318 1.2221 0.8646 0.4184 1.7743 3.0177 0.8256 0.6017 0.4184 1.1295 0.5083 1.1221 1.6679 0.9766 0.7366 1.0825 2.1728 2.7439 0.5943 1.4035 carotene diol (1) 0.4451 0.8168 1.1808 1.1444 0.9496 0.9892 1.2119 0.6667 1.1643 0.6632 0.5325 1.3262 0.4844 0.9213 0.6527 0.3436 2.4516 0.5486 0.9253 0.7082 1.6291 0.6940 0.7017 0.4459 0.6212 0.5850 0.7276 0.6610 0.6476 0.4705 0.6356 1.2767 0.6648 0.4170 0.2665 1.4887 1.3087 1.5129 0.6352 0.5073 0.7077 0.9297 1.2132 1.0372 0.7305 0.5864 1.0652 0.6784 0.3642 0.8176 1.0000 1.2439 1.3308 0.9783 2.2896 2.9445 2.3695 0.8642 7.8741 3.2811 1.4878 1.8704 2.4630 0.8989 0.8667 3.0665 2.9200 2.0938 1.4902 1.6578 0.7743 0.5876 1.0560 1.5714 2.8553 1.7931 1.2671 1.0418 3.4068 1.0533 5.8932 2.0549 3.1129 1.6681 2.4110 1.1432 6.1112 0.9748 3.5461 1.2334 1.2130 1.7330 3.6770 3.6867 1.2812 1.0882 1.7544 1.1252 0.4873 0.5694 0.8904 1.1196 0.5103 0.5442 0.8290 1.0460 1.8476 1.4064 1.1885 0.5460 1.3365 0.4043 0.9967 0.9883 0.7821 0.8967 0.8314 0.8974 0.9692 2.3763 1.5365 0.4993 0.7248 0.9368 1.0273 0.8639 1.4524 0.7834 0.4412 0.2918 1.0359 carotene diol (2) 0.4135 0.8944 1.1739 1.7007 2.1912 0.9891 1.0216 0.6548 1.2662 0.6121 0.5708 1.2451 0.9479 1.7198 0.5880 0.3984 1.9274 0.7103 0.6368 0.7582 1.0461 1.3849 0.7052 0.3200 0.8358 0.5990 0.6618 0.6694 1.0581 0.9218 0.3853 0.7638 0.5957 0.4818 0.1847 1.5175 1.3421 1.2668 0.6351 0.6466 0.8107 0.9412 1.2227 1.0151 0.8645 0.5175 1.0586 0.5696 0.3520 0.7465 0.9370 0.9779 2.7026 1.0541 1.4553 2.6769 1.9406 0.9251 14.2770 5.9479 1.3606 1.2941 1.8606 1.0000 0.9493 2.3524 2.5118 1.9857 2.1452 1.5373 0.9353 0.7012 1.0538 1.9366 2.7666 1.7454 1.2255 1.4161 3.2044 1.2353 5.7850 1.9167 2.7962 1.8841 2.1145 1.1486 6.3089 1.2507 6.4575 1.2853 1.3434 1.5713 3.2596 3.0975 1.2991 1.0512 1.4583 0.9103 0.3840 0.8861 1.2181 0.9259 0.9502 0.5014 0.6246 0.9846 1.5989 1.2700 0.8523 0.5379 1.2809 0.3468 0.9224 0.7677 0.8118 1.9173 0.6925 0.7601 0.8300 1.4114 1.3004 0.5079 0.6471 0.8977 0.5451 0.8476 1.2387 0.7135 0.6151 0.3059 0.9347 carotene diol (3) 0.3405 0.8665 0.8661 0.0977 0.0977 0.6190 1.0772 0.4067 0.7910 0.2712 0.4813 1.4110 0.0977 0.0977 0.6393 0.5514 2.9268 0.5441 0.8363 0.9644 1.8932 0.0977 1.0171 0.2623 1.0000 0.6860 0.6205 0.7299 0.0977 0.0977 0.4681 1.2127 0.4604 0.4204 0.0977 1.1610 1.5245 1.7562 0.5301 0.9119 0.6771 1.0820 1.1229 1.4838 0.6475 0.5747 0.8014 0.8272 0.4100 0.8648 1.1388 0.9856 0.0977 0.9976 2.3344 4.2995 2.6126 1.0208 0.0977 0.0977 1.1180 1.2497 1.3287 1.1877 0.9962 2.3899 2.8637 1.3592 0.0977 1.2672 0.7548 0.8430 1.0757 1.3776 2.4176 1.7267 2.0070 1.2319 2.3128 0.7057 5.7165 3.3043 3.0793 2.8088 2.5127 1.0008 5.0704 0.8856 0.0977 1.1819 1.3601 1.8339 3.8218 4.5889 1.3609 1.4888 1.2518 1.0471 0.6424 0.0977 1.2272 0.8572 0.0977 0.5717 0.5768 0.8906 1.3864 1.0996 1.0020 0.4701 1.1084 0.3183 0.8232 0.7445 0.6322 0.0977 0.8529 0.6769 0.5633 1.6079 1.5565 0.5499 0.5668 0.6665 0.4935 0.5591 1.0307 0.5055 0.3108 0.0977 1.0580 catechol sulfate 0.8923 0.4857 0.1331 1.1373 0.6160 1.0516 1.5774 1.0000 1.1043 1.5265 0.8006 1.1880 0.5150 0.5080 1.4642 0.4106 0.4703 0.3910 0.7480 0.7774 1.2083 0.2343 0.5364 0.3519 0.1023 0.2301 0.8286 0.1371 0.3740 0.7498 0.5275 3.3877 0.5518 1.2744 0.5358 1.0745 2.2665 0.6816 0.7245 0.2315 0.3690 0.5463 0.2286 0.7217 1.1017 0.6830 0.7363 0.0644 0.6237 0.1337 0.4832 1.7716 1.0759 1.6414 5.0745 1.9045 1.8589 0.8865 2.0872 4.2036 1.0999 1.6881 1.2261 0.7991 0.9038 1.2852 4.7568 0.9044 1.0435 1.7504 1.3122 0.8516 0.3927 8.2794 0.5489 2.2539 0.3094 1.1182 2.1092 2.0221 3.2948 0.6002 1.5535 0.7583 2.2490 1.1725 0.8381 0.7979 2.5100 2.7913 1.5536 1.5076 1.4986 1.0540 2.7269 1.1369 0.9860 0.4466 0.8786 1.1584 1.1739 5.7741 1.6145 0.8859 2.0627 1.9220 0.8173 0.7763 1.4016 1.8531 0.7096 1.7545 2.6550 0.3200 0.6072 2.5821 0.7029 0.9079 0.9544 0.7431 0.9020 0.7062 1.5923 5.2117 9.9883 3.2734 1.4040 0.3521 3.1695 1.5352 2.4502 celecoxib 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 cerotoylcarnitine (C26)* 0.5619 1.2551 0.6032 1.8812 0.7619 1.0000 1.0156 0.9497 0.6884 0.9917 0.5878 1.4168 0.4996 0.8856 0.4451 0.9027 1.6123 1.0647 0.7881 0.9792 0.5899 1.1777 0.8373 0.5329 0.9107 1.5674 0.7768 0.6532 0.9128 0.7141 0.8180 1.0740 1.2072 0.6990 0.7504 1.4455 0.6656 1.5118 0.9551 0.6076 1.2009 1.2174 0.5908 1.1614 0.7199 0.9865 1.2843 0.7333 0.4162 1.0642 1.0556 1.1510 0.3188 1.3666 1.8903 1.4456 0.7194 1.2268 1.1315 1.0986 0.7306 1.0351 1.1655 0.8239 1.0141 1.3788 2.2823 0.9584 1.2359 0.8499 0.9810 0.7990 0.8472 1.2951 0.8658 1.1459 0.9141 0.8087 1.2032 1.2017 0.8979 1.5712 1.1741 1.2415 1.0482 1.3551 1.5736 0.9396 0.5360 0.9792 0.6864 1.2283 1.6373 1.4225 0.8152 1.0197 1.7329 0.6304 1.1740 1.4860 0.9515 1.4036 0.6209 1.2907 1.3748 1.4816 1.4400 0.9267 2.1156 1.1012 1.0741 1.0291 0.4917 1.0971 0.6056 0.8063 0.8525 1.0373 0.8222 1.1770 0.8620 1.0322 1.3423 1.2587 0.9687 0.8800 1.5924 1.1079 0.9569 0.9092 0.9282 cetirizine 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 1.1846 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0967 0.0703 0.0703 0.0703 0.0703 1.5942 0.0703 0.4799 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.8394 0.0703 10.1814 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.4035 0.0703 0.0703 1.1606 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 1.3071 0.0703 0.0703 0.0703 0.0703 0.0703 2.4182 0.0703 0.0703 0.0703 0.1370 0.0703 0.0703 0.0703 0.0703 1.7481 0.0703 0.0703 0.0703 0.0703 0.3181 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 3.9723 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.7521 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 0.0703 chenodeoxycholate 2.1719 1.1825 1.8689 2.6685 1.6366 1.2464 1.1421 2.3608 0.6694 0.9607 1.0507 0.5656 0.5751 1.3124 0.6109 0.7322 0.9189 0.9193 0.4430 1.0061 0.8781 1.5916 0.9472 0.9469 1.1318 0.8716 1.3675 0.3120 2.2589 1.8950 1.3973 0.7943 1.7623 0.4316 1.5322 0.5580 0.7239 2.6492 1.2404 1.9138 7.7941 1.6145 1.6331 1.4950 4.8557 0.9778 3.0552 0.2507 0.2940 0.7153 1.7279 1.6259 0.5580 1.2046 1.1501 0.1860 0.1860 0.9650 0.1860 1.1411 0.9891 1.0074 0.7570 2.3863 0.3583 1.0286 1.2447 1.1068 0.8942 0.7704 0.7456 0.8846 0.5101 1.3858 0.7993 1.6744 0.4452 1.3987 0.6234 0.6013 0.6600 1.6432 0.5107 0.1860 1.0362 0.5477 1.2544 0.8787 0.4108 1.5114 0.8561 0.9729 1.8720 0.1860 1.2418 0.1860 1.0828 0.3614 0.9301 0.7330 6.0056 0.6783 0.5533 0.7311 0.9939 0.1860 0.5882 0.1860 1.9911 0.1860 1.7045 1.0154 0.9318 1.7899 1.9245 1.7795 0.1860 0.9530 1.1999 2.2469 0.4066 1.2182 1.4418 1.4863 0.5275 0.9927 0.5990 0.9422 2.0790 0.2285 0.4146 chiro-inositol 0.1972 0.1972 0.1972 0.1972 0.1972 0.3774 0.1972 0.7825 0.1972 0.1972 0.1972 1.7665 0.1972 0.1972 3.1393 0.1972 0.6588 0.1972 0.1972 0.5644 0.1972 0.1972 0.1972 0.6353 0.1972 0.3109 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.7126 0.1972 0.4071 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.6934 1.1515 3.2720 0.1972 0.9203 0.1972 0.1972 0.9733 0.1972 2.9789 1.7121 5.0843 0.1972 0.1972 0.1972 9.9941 0.1972 0.1972 0.1972 0.1972 0.5496 0.1972 0.2369 0.1972 0.8185 1.0530 0.1972 0.1972 0.3522 0.9968 0.1972 0.3165 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 1.7917 0.6565 1.4982 0.1972 0.1972 29.8146 0.8009 0.1972 1.1734 5.3936 0.1972 0.1972 0.1972 0.1972 1.0435 0.1972 0.4906 0.1972 1.1002 0.3238 0.1972 2.0708 2.3865 0.7645 0.1972 0.5243 1.6386 3.4477 0.1972 1.2842 1.7384 0.1972 9.9603 0.6826 1.9368 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.1972 0.6464 2.3367 0.1972 1.0032 chlorthalidone 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 cholate 2.0258 0.5946 0.8383 12.4699 0.9627 0.9994 5.8874 0.8528 0.3548 6.6041 0.8094 3.0878 0.4423 2.1132 0.4411 0.2250 0.8731 0.7926 0.6993 8.3915 0.8002 0.7390 1.3519 0.5068 1.0209 0.7325 3.2237 1.2806 1.3891 2.4276 1.7139 9.0573 2.3229 0.3201 0.6554 0.6487 0.5250 19.7311 1.0000 4.4041 10.8846 0.7833 0.9846 0.4255 37.1419 0.6913 27.6718 0.9032 0.5827 1.6885 1.2791 1.8593 0.3714 8.7884 3.3644 0.6236 0.3746 0.9418 0.3788 0.7338 6.5997 2.6330 0.4031 2.1780 0.7713 1.6238 1.4347 1.5770 3.0938 1.1900 3.1566 0.5113 0.4650 2.9625 1.5607 19.4643 0.5607 0.8934 0.9536 0.7828 0.9327 0.9068 1.0366 0.9020 2.9328 1.5074 6.3482 0.9132 0.8629 7.1380 0.5159 0.9028 2.9978 8.4288 8.2719 0.9887 0.6585 0.3956 0.4924 0.6983 4.8404 1.4632 0.3709 0.4419 2.1350 0.8590 1.2466 2.3957 3.3998 0.5917 2.6450 2.2680 1.0616 1.3595 0.7451 1.8153 0.5479 0.9424 14.6561 30.5087 10.6004 0.7184 1.3629 1.0354 1.0245 0.8918 0.8117 1.0185 11.0921 0.2054 0.6679 cholesterol 0.9573 1.7569 1.1214 0.7816 0.7380 1.0443 0.8333 0.7016 0.7583 1.1674 0.8477 1.1838 0.6359 0.8935 0.7197 1.3771 1.2349 0.7633 0.7668 0.9497 0.7525 1.2001 1.0555 0.6870 1.1536 0.9723 0.7783 0.8643 1.0316 0.5287 0.7656 1.1216 1.1703 1.4323 0.5805 1.2148 0.8893 1.0450 0.8699 0.5377 1.0143 0.8391 0.9575 1.2139 0.8310 0.6928 0.8475 1.3910 0.5333 1.1070 1.0991 0.8717 0.6133 0.6118 1.4457 1.0989 1.1977 0.9611 1.1676 1.0070 1.1195 1.5325 1.2806 0.6581 1.2100 1.1006 1.4171 1.0000 0.6584 1.2819 0.7453 1.0048 0.8288 0.8502 0.9326 0.9953 0.6619 0.8650 1.2863 1.0262 1.1645 1.0795 0.9072 1.1598 0.9043 1.0001 1.6398 1.2080 1.1284 1.0935 0.9389 0.9126 1.2306 0.9490 1.0480 0.9234 1.3207 0.9456 1.0086 0.9269 1.0003 1.1256 0.6918 1.2573 1.1610 0.6865 1.0084 0.8864 1.0823 1.2080 1.1816 1.0852 1.3775 1.0434 0.6504 0.8200 0.9345 0.9125 0.6933 1.4069 0.9493 1.0687 0.7690 1.1362 1.2723 0.9771 1.1375 1.4219 0.9961 0.8150 0.9612 choline 0.9043 1.0507 0.9217 1.2062 1.1178 1.0899 0.8614 1.2134 0.9829 1.0431 0.6994 0.8432 0.5665 1.2683 0.8589 0.7911 1.3277 0.6085 1.2029 1.1086 1.1866 0.6494 1.2539 1.3421 0.7542 1.1643 1.1993 0.6072 0.7889 0.8493 1.0359 1.2151 0.9621 0.6945 1.2094 1.2043 1.0198 1.0217 1.1790 0.5853 1.1480 1.5098 0.7509 0.8665 1.0704 0.6456 0.7735 0.9462 1.3740 1.0108 0.8726 1.0557 0.6428 0.5727 0.8555 1.0279 0.9386 0.7565 1.0726 0.6027 0.9639 1.3052 1.1897 0.7635 0.9499 0.8585 1.1093 0.6881 0.8521 1.0000 0.7846 0.8630 1.1153 0.9118 0.8001 0.8792 0.5187 1.0071 1.0953 1.1099 0.9449 0.9620 1.0169 0.8608 1.0025 0.8539 1.0873 1.0118 0.9417 0.8563 0.7513 0.9014 1.0338 0.5415 1.1839 1.1963 1.0311 0.7443 1.0452 1.5402 0.7461 1.5263 0.9903 0.9421 0.8591 0.9633 0.9559 1.4137 1.5549 1.1050 0.9364 0.9207 1.2293 1.1770 1.0971 1.0998 0.9489 1.1738 0.9890 1.3161 0.8752 1.2348 1.4953 1.2235 0.9214 1.0057 1.2283 1.2286 1.6957 0.6719 1.1199 choline phosphate 0.9046 1.0915 1.4530 0.8173 0.0859 0.6283 0.9266 1.3132 0.8253 1.1052 0.9650 1.6317 0.5603 0.7814 1.5775 0.7767 0.9949 1.0000 0.5648 1.4133 1.4591 0.9944 2.4302 0.9522 1.5235 0.6578 0.9266 1.0649 0.8790 1.4904 0.7945 0.9147 0.8401 1.4025 1.0506 0.6434 1.2446 1.3112 1.0921 0.5086 1.7047 0.9379 0.8397 1.5831 1.2372 1.1262 1.0337 1.6448 1.3667 1.2684 0.8488 1.8404 1.0480 0.7119 1.6340 0.8407 1.0156 0.8129 0.9864 0.6458 1.3485 0.7010 1.4463 1.0457 1.1943 0.9508 1.3564 1.3585 1.1644 1.0741 1.2068 0.9595 0.7863 1.4478 1.0444 1.5004 0.7648 0.8441 1.4060 1.1252 1.0697 0.7100 1.5145 0.8774 0.6210 0.9408 1.6821 1.4109 1.2011 1.3834 0.8647 0.5400 1.2930 0.5654 1.0404 0.6469 0.9172 0.9511 1.6208 1.1143 0.7387 1.3387 0.7670 0.8244 1.0391 0.9507 0.4677 1.2766 2.6958 0.7288 1.6621 0.3972 1.4305 1.1958 0.5565 0.2607 1.2462 0.9019 0.8706 1.5750 1.2144 0.6959 1.7445 0.7926 0.6974 0.7046 0.5388 0.5807 0.5849 0.7834 1.2830 cimetidine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 cinnamoylglycine 0.4172 0.1492 0.0685 1.0103 0.0685 2.7621 1.1271 0.1829 0.4943 0.7024 0.4974 0.0685 0.6285 0.1416 1.0126 1.8634 0.0685 0.0685 0.0685 0.0685 0.6491 0.2948 0.6396 0.9425 0.4672 0.0685 0.8695 0.0685 0.0685 0.0685 0.0685 6.1571 0.0685 0.0685 0.0685 0.2479 0.3638 0.1650 0.2863 0.0685 0.0685 0.0685 0.0685 0.1468 0.2361 0.3520 3.2079 0.0685 0.4368 0.0685 1.6175 0.6567 1.4499 1.3386 3.1778 10.7886 1.3662 0.2131 5.4601 0.0685 0.0685 2.9847 3.2788 0.5653 1.4675 1.6777 3.3537 3.0528 0.6255 3.8537 2.5043 0.1134 1.5255 2.3609 1.2613 2.0258 0.7753 7.5977 4.0164 4.2944 2.2542 2.1267 2.8948 1.3890 2.8860 1.3250 1.1792 0.8505 2.7234 1.7486 1.4713 1.1932 1.2675 0.5288 0.5146 1.0113 0.0685 0.3707 0.4068 0.0685 0.1548 1.1267 1.5936 1.8729 0.0685 0.2029 0.0685 0.6240 0.7840 3.4042 0.6717 0.6686 2.1446 0.0685 0.1857 0.0685 0.0685 0.0685 0.7863 0.8369 2.3157 0.9691 1.0000 0.0685 0.8990 1.7911 0.5820 0.0685 0.1849 0.7882 0.6159 cis-4-decenoate (10:1n6)* 1.0235 1.1283 0.9461 0.9636 0.8572 0.7092 0.9312 1.1706 0.8034 0.9949 1.1069 1.0189 1.6464 1.2187 0.9680 1.5054 0.3691 1.3024 1.0941 1.1696 0.8523 1.8187 2.0079 0.8433 1.1605 1.0387 2.9187 1.0519 1.1488 1.1316 0.8221 0.7993 0.5059 2.5207 1.3558 1.3330 1.3654 0.9627 0.4372 1.4584 0.7311 0.7181 0.8810 1.8100 0.9396 0.9402 0.9023 1.3105 0.7231 1.0000 2.7652 0.3123 0.4167 0.6557 0.6224 1.2353 0.2540 1.3467 0.5774 1.1585 0.3952 0.9982 0.9653 0.9218 0.4684 0.8641 1.5080 1.2084 0.5365 1.1198 2.3334 1.1098 0.7099 2.1915 0.8773 0.3332 0.4793 1.2275 1.5294 0.7565 0.3823 1.6633 1.3990 1.4564 0.6630 0.3881 1.3130 0.7174 0.7248 0.6082 0.7386 0.7055 0.6079 1.6199 0.1821 2.6743 12.2802 0.6122 2.0112 1.1018 0.8802 0.8780 1.3262 1.2690 0.7355 1.7377 1.0614 1.2687 0.8820 2.1076 1.3316 1.1614 0.6516 1.3854 1.9553 2.2862 0.3535 1.1730 0.7942 1.0379 3.3542 1.1227 0.7128 1.1312 0.7055 1.3267 0.8349 0.6525 3.0601 0.9806 0.4746 cis-4-decenoylcarnitine (C10:1) 1.0000 1.5723 0.8234 1.5210 1.1358 1.1378 0.7857 1.1285 1.0035 1.6767 0.6262 0.7886 1.1513 0.7160 0.4889 1.3201 1.2860 0.9367 1.1124 0.6172 0.4267 0.7642 0.9761 0.6184 0.5525 1.1537 3.2337 0.3686 0.8636 0.4266 0.8227 1.2644 0.5043 1.7591 1.5473 1.0050 1.3568 1.7861 1.0859 1.8204 0.9816 0.7375 1.1679 1.5561 0.7409 0.7201 0.6370 0.7383 1.5324 1.0661 3.0013 0.5725 0.5379 0.5129 0.7487 1.2753 0.4226 1.2411 0.4740 0.7976 0.3819 1.1181 0.9189 1.9001 0.3758 0.7759 1.1701 1.1884 0.4965 0.4825 1.6551 1.4039 1.1838 1.1033 1.1153 0.8847 0.4047 1.1332 1.2774 0.5191 0.7083 1.0239 1.1529 1.4848 0.9512 0.8125 1.2270 0.6867 0.6645 0.8055 1.1474 1.0007 0.8341 1.1176 0.5444 1.6997 4.0838 0.5119 1.7890 1.4908 1.0143 0.8590 1.2242 2.3543 0.5295 1.9937 1.2345 1.4300 0.6248 2.0044 2.1642 1.1218 0.9273 1.0515 1.9416 2.3297 0.9250 0.6116 0.7894 0.6922 1.8766 0.7970 0.8271 0.8120 0.6417 0.6423 0.6791 0.9992 3.5241 1.2601 0.5821 citalopram N-oxide* 0.3537 0.3537 0.3537 0.3537 0.9866 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 1.1104 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 1.0134 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 0.3537 citalopram propionate* 0.1671 0.1671 0.1671 0.1671 0.8124 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.8155 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.8631 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.8786 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.6824 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 2.0481 1.0000 1.4099 0.1671 0.1671 0.1671 0.1671 1.5582 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 2.6430 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 2.1302 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 3.6100 0.2604 0.1671 1.1053 0.1671 0.1671 0.1671 0.1671 0.8526 0.1671 0.1671 0.1671 0.1671 1.4394 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 0.1671 citraconate/glutaconate 1.7290 0.5158 0.6024 1.1005 2.4315 2.8723 0.9400 0.6244 0.4923 2.5885 1.3219 2.4405 0.5970 0.4963 1.3685 0.6790 0.9652 0.6508 4.4494 2.2729 1.5362 0.4380 0.4454 1.4727 0.5364 0.3720 0.8661 0.5680 0.8292 1.1172 0.7123 2.1733 1.5941 0.6498 0.7522 0.6017 2.3044 1.6879 0.6379 1.1246 0.8684 1.5667 0.7281 0.2554 0.9940 0.8736 1.2966 0.5643 2.7717 0.7705 0.4690 1.4249 0.5141 2.9834 2.1154 1.6929 0.4989 0.5550 20.7709 0.5398 0.7576 2.2992 0.9432 0.8934 0.8790 0.7756 0.5729 0.6020 1.3941 0.7019 1.0143 0.6712 0.6227 0.8434 0.3945 0.8290 0.3203 0.9691 1.7209 0.8111 1.7875 0.6430 1.8265 1.1457 2.3921 1.7880 1.8376 1.0000 1.9620 0.8499 2.3843 1.7253 2.2451 0.7448 1.5895 2.4573 0.4918 1.2482 1.2928 1.0734 1.0945 57.1500 1.2732 0.9620 1.5098 0.8977 0.8418 1.0202 1.4518 1.2387 0.7186 0.2554 1.0608 0.7051 1.5124 6.5263 1.0838 0.8514 0.3723 1.4190 0.9204 1.4076 1.0423 1.3729 2.2233 1.0531 1.4228 1.0000 7.6713 0.6828 0.3566 citrate 1.0331 1.1378 1.0405 1.0199 0.3045 0.8327 0.8959 1.1959 0.9679 1.2783 1.3178 1.0014 1.3554 1.0776 0.8383 1.3719 0.8455 0.9561 0.9591 1.1007 0.8787 1.0290 1.0291 1.2891 1.0849 1.1119 1.0630 1.0862 0.9582 1.0257 0.8535 0.9528 1.0491 0.9182 1.0285 1.0197 0.8285 0.9823 0.9250 1.0559 0.9059 1.2588 0.9127 1.0918 1.1491 0.9775 0.9967 1.1297 0.9624 0.9548 1.1358 0.8771 0.7900 1.1820 0.9450 1.0926 0.9818 0.9984 0.9721 1.1383 0.9524 1.1567 0.9985 0.8849 0.9133 0.9586 1.0990 1.0673 0.7770 0.9262 1.0015 1.2002 1.0391 0.9563 0.9277 0.9453 1.1227 1.0913 0.9842 0.9424 1.0376 1.1352 1.2041 1.0779 1.0258 0.8782 1.1967 0.9561 0.8496 0.7836 0.8612 1.1191 1.0654 1.1421 0.8400 1.2159 1.1833 1.0251 0.9293 1.1033 1.0000 0.9861 0.9403 1.0180 0.8325 0.9956 1.0839 0.9316 0.8777 1.2608 0.9463 1.0122 1.1064 0.8173 0.9748 1.0927 1.0565 1.1781 0.8741 0.9493 0.8398 0.8878 0.9886 0.8541 0.7478 1.2070 0.8438 1.1995 1.1177 1.2046 0.8919 citrulline 0.7536 0.8249 0.8590 1.4678 0.9736 0.8650 0.8782 0.9424 0.8496 1.3571 0.9572 0.9178 0.7604 0.8916 0.7952 1.0393 1.2046 0.8188 1.4581 1.0291 0.6678 0.8235 0.7413 0.4750 0.7290 1.0830 1.0212 0.8115 1.2745 0.7955 1.0306 1.0024 0.7404 0.8593 0.5924 1.0078 0.9656 0.9307 0.7170 0.8560 0.9630 0.9941 0.3671 0.8834 0.7312 0.7317 1.3805 0.6029 1.0288 0.6652 1.1200 0.8765 0.6021 0.9998 0.8809 1.3606 1.0196 1.2194 1.0379 0.9383 1.0905 1.0665 1.0719 1.1131 1.0645 1.1075 1.1095 1.0430 0.7844 1.0078 1.0557 1.0628 0.8138 0.9239 0.9674 1.1257 0.7764 1.0209 1.2613 1.2672 0.9745 0.9717 1.0633 1.7453 1.2174 1.0038 1.1974 1.0012 1.0099 1.1987 1.0000 0.9386 1.1119 0.9740 1.3374 1.0750 0.6843 0.6905 1.0354 1.0934 1.0717 0.7226 1.4748 1.1338 0.8360 0.6467 0.9223 1.0372 0.9581 1.1406 1.0111 0.7444 1.1281 0.9723 1.0152 1.2996 1.0691 1.0745 1.0323 0.9844 0.7331 0.5342 1.4330 0.9922 0.9312 1.0832 0.7414 1.0901 1.1658 1.0712 1.1879 cortisol 1.0657 0.3864 0.7740 0.4851 1.0986 0.4238 0.5372 1.0878 0.5430 1.2370 0.8643 1.0439 0.9962 0.8763 0.6808 1.2885 1.0612 1.1122 0.7131 0.5800 1.2271 0.6724 2.4907 0.9173 0.4379 0.8259 1.3088 0.6963 0.9256 0.9741 0.4751 0.6547 1.3320 0.8636 0.8790 1.4043 0.7326 1.0487 0.4775 0.8036 0.9575 0.8099 1.1772 0.5537 0.4585 0.7044 2.1375 1.4010 1.1310 1.3268 0.7173 0.8512 1.0849 1.0000 1.4669 0.8902 2.1191 0.7171 1.2161 1.0246 1.7403 0.8556 0.9787 0.4648 1.0025 0.7492 1.0392 0.6107 0.7488 2.1857 0.5644 1.0535 1.8647 0.7403 0.4268 0.8213 1.1343 1.1357 1.0918 0.7007 1.2410 0.5772 1.0113 0.9498 0.6725 1.2471 0.6820 0.0966 2.4331 1.1369 1.0404 3.5221 1.1612 0.8818 1.1352 1.1343 1.5896 1.5408 0.7423 1.1650 1.2591 1.2204 0.8877 0.7761 0.5830 1.6873 1.1906 1.3483 1.5090 1.3447 0.4893 1.0985 1.0280 1.1614 1.1998 1.7681 1.5477 1.1830 0.8703 3.5484 1.1345 0.8911 0.6880 1.5924 0.9834 1.3752 0.5810 0.8075 2.0575 0.9539 0.8185 cortisone 0.7166 0.4604 0.6454 0.7461 1.2133 0.2631 0.6399 1.3711 0.3884 0.8249 0.7242 1.0167 0.7517 0.6090 0.7183 0.8374 1.0268 1.0364 0.6085 1.0197 0.8856 0.9971 1.4788 0.9450 0.5436 0.7449 0.9177 0.7957 0.8099 0.7457 0.4689 0.4696 0.9279 1.0580 0.7887 1.3117 0.5622 1.4581 0.6452 0.6217 1.1933 0.6264 1.1861 1.4729 0.2400 0.6112 1.5153 1.4649 0.5437 0.9657 0.7239 0.7661 1.0563 1.0029 1.1546 0.9558 1.3485 0.5394 1.0520 1.0589 1.1578 1.0922 1.3523 1.3053 0.9411 0.8610 1.0723 1.0239 1.0878 2.0920 0.8068 1.3285 0.8906 1.1103 0.8076 1.4207 1.0869 1.1618 0.7018 0.6856 1.4542 0.7373 1.0337 0.7848 1.0392 1.8005 0.8328 0.2400 1.4290 0.9411 0.8417 1.5627 1.2733 1.2002 1.2864 1.1237 2.0675 1.1512 1.1877 1.3009 1.4370 0.9532 0.9545 0.8792 0.9899 1.5843 1.1490 0.9739 1.2278 1.2489 0.9701 1.0247 0.8527 1.3222 1.1827 1.2657 1.1841 1.5369 1.0857 1.5450 0.9504 0.8814 0.8560 1.6569 1.2483 1.1811 0.5190 0.8121 0.6404 1.0570 0.9680 cortolone glucuronide (1) 1.7382 1.7286 1.5992 1.6343 1.6748 0.2686 1.0672 1.1616 0.7515 0.7986 2.0338 1.2802 1.0741 1.0395 1.1497 1.3941 1.6357 1.2976 1.5538 1.5498 1.4121 1.0049 1.2629 1.3227 0.4671 0.9341 0.8302 0.8758 0.7575 0.8313 1.2047 1.2764 1.5247 1.9333 1.9120 1.6216 0.7034 1.4972 1.7568 1.0353 0.8115 1.0614 1.3228 1.7531 0.9458 0.6680 1.4101 1.8575 2.0225 1.0642 1.8982 0.5386 0.5963 0.6107 0.4335 0.6265 0.2686 0.3320 0.4863 0.4141 0.5075 0.9540 1.2385 1.1307 0.5938 0.4348 1.2200 0.6043 0.4928 0.5803 0.5266 0.3979 0.5643 0.4379 0.5304 0.7549 0.3939 0.5638 0.2875 0.7710 0.6941 0.6883 0.6579 0.7226 0.3929 0.8929 0.8514 0.2686 0.5202 0.7788 0.7641 0.4286 0.7673 0.5392 0.9546 1.5875 0.9924 1.2457 1.3861 1.5114 0.9593 1.4889 1.4666 1.8086 1.6081 0.9427 1.1972 1.9270 1.1829 1.5205 1.6447 0.5905 1.1429 1.4623 1.3521 1.2616 2.8533 0.8208 1.3460 0.6755 0.8430 0.9469 0.9181 1.2211 1.4517 1.0758 0.7161 0.8441 0.7005 1.0000 1.3429 cotinine 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 1.7738 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 4.1696 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.2262 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 0.0051 creatine 0.6923 1.4278 1.6004 0.6917 1.5441 0.4819 1.1241 0.8179 0.3890 0.5883 1.0276 0.3756 0.5991 0.9684 0.8071 1.7170 3.0604 1.0425 1.7099 1.4967 1.1666 0.6095 2.0568 0.5564 0.9957 1.2237 1.1992 1.9546 0.6449 1.1200 1.8510 1.8967 0.6585 0.9064 1.6243 1.7374 0.7607 0.5167 1.3743 1.9526 2.4632 0.7566 1.7839 2.6539 1.5619 2.2256 1.9136 1.3638 0.4021 1.8882 0.9869 0.9798 1.3676 0.4638 0.4407 1.1008 1.3740 0.7032 1.2527 0.7355 0.7175 1.7815 0.9149 0.6672 1.1194 0.8101 0.5799 0.3990 0.7478 1.9473 0.3868 0.4914 1.7596 1.1438 1.3487 0.4667 0.7647 0.8801 1.6446 1.2670 1.2054 2.0323 0.2457 0.9499 0.3857 1.0846 3.2539 0.6674 0.8143 0.7402 1.1130 0.5215 0.5214 0.7384 1.7601 1.5311 1.0130 0.9901 0.4377 0.5169 2.1350 1.4789 0.6308 1.0000 1.5414 0.9496 0.7828 1.9701 2.9046 1.1774 0.5482 1.0191 1.5488 1.3853 1.5976 0.5043 1.7597 0.7656 0.9987 1.4487 0.6060 0.7262 0.9638 0.6133 0.8522 0.5652 1.5755 1.4627 1.0784 0.3659 0.6587 creatinine 0.7470 1.2240 1.0028 1.1405 0.9594 1.1057 0.9969 1.1996 0.8262 0.9609 0.9387 1.2152 1.0574 1.0421 0.9688 1.2872 1.6755 1.0186 1.6244 0.8961 0.9762 1.1098 0.8904 1.1599 0.9130 0.9778 1.5544 0.8482 0.9521 0.9984 0.7909 1.0736 0.9022 0.9559 1.0101 0.8089 0.9688 1.3366 1.0963 0.8820 1.1744 1.0424 1.0294 1.1069 1.0000 0.8336 1.1112 0.7583 1.4536 0.9087 0.9888 1.0206 0.9101 0.9209 1.1808 1.0566 0.9388 0.8301 0.9612 0.7341 1.0014 0.9896 0.8339 1.2013 0.8441 0.9079 1.2635 0.9830 0.9130 1.0006 0.8572 0.8351 0.9905 0.8938 0.8320 1.3566 1.1203 1.0706 1.0650 0.7273 0.8731 1.0908 1.2488 1.0026 0.9789 0.9246 1.0441 1.0111 1.1778 1.0151 0.9636 0.9802 1.4620 0.8885 0.8897 1.2105 0.9519 0.8273 1.1754 1.0292 1.0868 1.2144 0.9467 0.9791 0.8965 1.0346 1.1860 1.0474 1.1270 1.2316 0.9040 1.0116 1.0014 1.0169 1.1779 1.0478 1.4930 1.1199 0.8006 0.9469 0.9999 0.7163 1.2837 1.2609 0.8282 1.1481 0.9842 0.8276 1.1118 0.9094 0.8355 cys-gly, oxidized 1.1201 0.8732 0.4418 1.9570 0.4418 0.9699 0.7223 1.0720 0.7013 1.5660 1.8527 0.9351 0.9572 1.8863 1.0713 4.4424 1.0000 1.1603 0.5288 2.8334 0.9957 1.0676 2.9916 1.7215 0.6325 1.2833 0.4418 0.8649 0.4418 0.6185 1.8177 0.9035 1.3805 1.3820 0.8144 1.0344 1.2719 1.3763 1.0942 0.8308 1.7478 0.8639 0.8487 1.2266 0.8298 0.8244 0.4418 1.2746 0.6562 0.7474 1.4403 0.8662 1.1995 1.0490 0.8427 1.0014 0.8211 0.6469 0.4418 0.6437 1.2302 1.4763 1.6835 0.7262 0.5417 0.8663 2.8375 1.0203 1.0145 0.7108 1.7899 1.6270 0.8435 0.8164 1.0072 1.1838 0.7704 1.3703 0.9265 1.0310 0.8452 0.7510 2.4600 0.4418 0.9983 1.2750 0.4418 1.1371 0.8329 1.1456 0.7989 1.3308 0.9265 0.4418 0.9948 0.4703 0.4418 0.6447 0.9895 1.6499 1.0476 1.0139 0.8423 0.9526 0.6028 0.4418 0.4572 0.7386 1.1467 1.1968 1.6656 1.2093 1.2079 0.8651 1.8453 1.2625 0.5754 0.5366 0.6674 1.5216 0.7490 1.2448 0.7892 1.1711 0.6966 1.3559 0.7323 1.1154 0.7410 0.6682 0.7419 cystathionine 0.3496 0.3496 0.3496 0.3496 0.3496 0.3496 1.0380 0.5831 0.3496 0.3496 0.6910 0.3496 0.3496 3.9083 1.0204 2.2310 3.5034 0.3496 1.9866 0.5939 0.3496 0.3496 0.3496 0.3496 0.5029 1.0306 2.4094 0.7578 1.0146 3.7340 1.2963 1.0922 0.3496 0.9249 1.4225 0.3496 0.3496 0.9100 1.6018 0.3496 2.5355 1.0181 0.3496 0.3496 2.8400 0.7247 1.5417 1.2074 2.2406 0.8479 0.3496 2.0716 1.0513 0.7517 0.5164 0.5624 1.0743 0.7531 0.3496 1.7209 0.3496 1.2729 1.8086 0.5745 0.3723 0.3496 0.4405 0.3496 0.4271 0.3496 0.7023 0.5889 0.4320 0.4236 0.4377 1.3294 0.3496 0.3496 0.3496 0.4293 1.3438 0.3496 0.3496 0.6799 1.4570 0.3496 0.3496 0.9344 0.3496 0.3496 0.7080 0.3496 0.3496 1.1461 1.8594 0.3496 0.3496 2.0867 0.7636 0.3496 0.7805 1.9300 0.9388 0.3496 1.3659 0.3496 0.6926 1.5796 0.8104 1.2154 0.3496 0.7816 1.1172 3.7294 0.9755 2.4507 2.8868 1.2635 0.5491 0.9854 0.3496 0.9683 0.9283 0.4524 0.8889 0.3496 0.3496 0.6392 0.3496 0.3496 0.3496 cysteine 1.1301 0.9110 1.3652 1.1095 1.7149 1.0635 0.5609 1.9714 1.0000 0.6305 1.2184 1.3139 0.5537 0.9774 1.1740 0.4273 0.9357 0.7851 0.7250 0.4594 1.4707 0.8566 0.4820 0.7110 1.5070 0.4488 1.9136 0.8192 1.2651 1.6907 0.6468 0.8898 1.6368 0.9763 1.4956 0.8446 1.2453 0.8727 0.6953 1.0950 1.6737 1.1832 0.8225 0.9944 1.1549 1.3031 1.3934 0.6473 1.5911 0.7638 1.1030 0.7404 0.4360 0.6649 0.8123 0.6517 1.3459 1.0532 0.9863 0.9492 0.6464 0.7407 0.8210 0.9045 0.7939 1.3562 1.3933 0.5937 1.2171 0.7032 1.0503 0.5466 0.7084 0.9758 1.0124 1.9213 0.5363 0.8312 1.0862 0.7399 0.8804 0.7692 1.3405 1.4989 0.7025 0.9938 0.8097 1.6156 0.7347 1.3469 1.5269 1.0621 1.1566 1.5958 1.0865 1.3980 1.8808 0.9734 0.7104 0.8551 0.8700 1.1107 0.9658 0.9903 0.9707 1.8806 1.0517 1.4925 1.4734 1.5258 0.8213 0.7023 1.0550 0.8700 1.8039 1.5508 1.7537 1.0116 2.1086 0.6852 1.2282 0.7691 1.8227 1.1080 0.7890 1.6736 1.5162 0.9361 1.3232 1.2411 1.3956 cysteine s-sulfate 0.8802 1.3144 0.9447 1.0610 0.5780 1.0000 1.3301 1.0712 0.7602 1.3988 1.1638 1.0637 1.8539 0.8109 1.2601 1.3161 1.2670 1.8678 1.1053 0.7888 1.3037 0.7373 2.9893 1.5753 1.1787 1.1918 1.0709 0.6876 0.6607 1.0216 1.4611 1.4050 1.8423 1.9635 1.8739 1.6306 1.2256 0.9520 1.3816 2.6441 1.1229 1.6050 1.8012 1.9606 1.8149 1.4743 1.3754 1.1926 1.6161 1.0094 2.6730 1.3232 0.5953 0.8721 0.9751 0.9442 1.1212 0.5927 0.5960 0.5073 1.1229 1.0186 0.7176 0.5718 0.8111 0.7423 0.5928 0.8032 0.5699 0.8888 0.5137 0.6933 0.5055 1.1679 0.4547 0.8098 0.7482 0.9113 0.9510 0.6130 0.5136 0.8117 0.7148 0.6552 0.8529 0.6128 0.7244 0.6595 0.6676 0.9588 4.4415 0.8117 0.7380 2.6786 0.6384 1.0970 1.4257 1.0737 0.8460 0.7827 0.5506 1.7765 0.7665 0.5097 0.9112 1.0740 0.9218 0.8866 1.3457 0.9946 0.7257 1.0711 1.0654 0.8638 0.7938 0.8947 1.4657 1.1865 1.0218 1.4154 0.8352 1.6720 2.2527 0.9315 1.2369 0.9890 0.8746 5.3699 1.3276 0.8428 1.8127 cysteine-glutathione disulfide 1.2701 0.7638 0.3199 0.2081 0.1073 0.1073 0.3583 0.1073 0.1073 0.1073 0.7183 3.2426 0.6690 1.4226 0.1073 0.7410 0.2918 0.7058 0.2975 1.2392 0.1073 0.5178 1.0529 0.1073 0.1073 2.7811 1.3988 0.6311 0.1073 0.2203 0.3718 0.5304 0.3756 0.4473 0.1073 0.3570 0.7935 0.7156 0.3106 0.1073 0.1073 0.7249 0.4060 0.5671 0.1073 0.6593 0.1073 0.1671 0.8295 0.1788 1.0000 0.1073 0.7042 1.1659 1.1357 1.3749 0.1073 0.4656 0.5032 1.3085 5.6755 1.0689 0.9565 0.6492 1.3048 1.4287 0.8266 1.3825 1.0650 0.6807 1.2238 5.9252 0.7900 1.0886 1.2173 0.8115 0.9018 2.1941 2.1260 1.0319 1.6227 0.9520 1.3818 0.6826 1.3088 1.2848 0.1073 0.9454 0.9163 0.1073 0.4551 0.8660 0.6215 1.4178 1.0194 1.6982 0.3134 0.5766 0.9047 1.5415 22.4406 0.9451 0.9081 1.3571 0.6483 1.7843 0.9761 1.8149 1.9917 2.5464 2.3561 5.5678 2.3654 1.4091 1.3369 1.2922 1.2739 0.9413 1.7002 1.1814 0.1073 2.1646 1.5798 1.4587 0.3035 0.1073 1.1437 1.1857 2.2928 1.4005 2.1841 cysteinylglycine 1.3432 0.8944 1.2420 1.5807 1.9054 0.8305 0.4706 1.7906 1.0637 0.9099 1.3420 1.3479 0.4849 1.2846 1.0630 0.6015 0.7211 0.9450 0.3676 0.8358 1.0666 0.8163 1.0767 1.0683 1.3320 0.5416 1.4220 0.5821 1.2307 1.2822 1.3010 0.9520 1.5367 1.1551 1.1244 0.6849 1.5283 1.3072 0.8232 1.0161 2.0664 0.9970 0.8372 0.9145 1.0965 1.1768 1.5723 0.8527 0.9066 0.5365 1.6903 0.7398 0.7053 0.7319 0.7855 0.6256 1.1116 1.1108 0.9151 0.9507 0.7860 0.9422 1.0407 0.6617 0.6765 1.3333 2.8986 0.6903 1.3982 0.6953 1.6002 0.6456 0.8129 1.0685 1.1052 2.3628 0.4989 0.8371 0.9675 0.9250 0.6603 0.6530 1.7753 1.4717 0.8708 1.1956 0.6070 1.8989 0.6775 1.7156 1.4181 1.1234 1.2710 2.0101 1.5205 0.9304 1.2680 0.5688 0.6293 0.9831 0.7801 0.8839 1.0033 1.1766 0.5644 1.2237 0.6729 1.1737 1.2366 1.2293 0.9920 0.6877 0.9442 0.6366 1.6959 1.0907 1.0000 0.5439 1.3074 0.3778 1.3033 0.8919 1.2838 0.9923 0.5596 1.8167 1.1457 0.9599 0.6457 1.0784 1.3801 cysteinylglycine disulfide* 1.0455 1.1342 0.9705 1.0726 0.8418 0.8162 0.8042 1.0229 0.7724 1.3413 1.1258 0.9559 1.1021 1.4349 0.8329 2.6755 1.1687 1.0595 0.7119 1.5058 0.8758 1.0783 1.6256 1.2883 0.8061 1.4298 1.2255 0.8791 0.9008 0.8795 1.1995 1.1503 1.2843 1.3764 1.0880 1.0996 1.1892 1.1233 0.9778 0.9759 1.3634 1.0683 1.1718 1.2640 0.9325 1.0343 1.0431 1.1047 1.0734 1.0084 1.2678 0.8414 0.8606 0.8662 0.9763 0.9542 0.7961 0.4640 0.4522 0.3935 1.0258 1.3144 1.1494 0.7818 0.6535 0.7010 1.2541 0.8669 0.9483 0.7059 0.8621 1.1319 0.8648 0.7914 0.9477 1.1132 0.7407 1.1549 0.8944 0.9623 0.9427 0.9101 1.2082 0.9149 1.0411 0.8607 0.3682 1.0000 0.9335 0.9838 0.8729 0.9429 0.8519 0.7573 0.7835 0.7572 0.7981 0.8694 1.0678 1.3822 1.1261 1.0860 1.1098 0.8419 0.8306 0.8048 0.7051 1.1594 1.0236 1.3695 1.4204 1.3992 1.3017 1.0016 1.2080 1.3879 0.9417 0.7334 0.9742 1.2003 0.6906 1.0186 0.9612 1.0641 0.8199 1.1305 0.8475 1.0626 1.2602 0.9078 1.0289 cystine 1.4746 0.9174 1.3989 0.5692 0.8351 1.1440 1.2027 1.1438 0.7781 1.4815 1.6000 0.7816 0.7614 0.9412 1.4334 1.6017 0.9291 0.9755 1.2489 0.7740 0.9082 0.9418 0.7281 0.9083 1.1154 0.8790 1.9429 0.9392 0.7166 1.1882 1.3894 1.3855 2.5413 1.3970 1.3947 1.6113 1.1376 0.7778 1.1227 0.8095 0.9835 1.4977 1.2920 0.9738 1.5626 1.4701 1.2545 1.5836 2.7054 1.8016 0.8125 0.6354 0.7792 0.9721 0.9431 0.8018 0.8174 0.4702 0.5938 0.3517 0.9708 0.8517 0.9245 0.4804 0.8068 0.5140 0.6263 0.6775 0.8768 0.6773 0.6965 0.6355 1.0000 0.6858 0.8198 1.0020 0.6140 0.7703 0.8829 1.0944 0.8072 1.0194 1.7821 0.6298 1.0015 0.6748 0.3008 0.8085 0.7056 0.8372 1.0272 1.2432 0.5303 0.4651 0.5242 0.9682 1.2084 1.4837 0.9823 1.1312 1.3383 1.5191 1.0734 0.8256 1.6059 1.1778 0.7072 1.5179 1.7464 1.2581 0.9030 1.1402 2.0571 1.1718 2.7075 1.8446 1.4969 1.8480 1.7126 0.9645 0.9684 1.0772 1.6749 1.3290 1.4043 1.1605 1.3460 1.0273 1.5745 1.2061 1.7780 cytidine 1.0591 1.0906 0.5852 2.0039 1.4761 0.5852 0.5852 1.3660 1.6653 1.0859 1.0133 1.1462 0.5852 1.1434 0.5852 0.7778 0.5852 0.8090 0.9276 0.5852 1.0745 0.5852 0.5852 0.5852 0.8436 0.5852 1.1135 0.8123 0.7563 0.5852 0.5852 0.9222 3.1308 1.1999 2.6571 0.8828 1.9059 0.5852 1.2760 0.5852 0.5951 0.8447 0.9650 0.5852 1.5131 0.5852 0.5852 0.6343 1.1404 0.9171 2.3461 0.5852 0.5852 0.7769 0.5852 0.9230 0.6204 0.8042 0.9117 1.0340 0.7199 0.5852 0.7516 0.5852 0.5852 0.5852 0.5852 0.5852 0.5852 0.9547 0.5852 0.5852 0.5852 0.5852 0.5852 0.9586 0.5852 0.5852 0.5852 0.5852 0.5852 0.5852 0.9341 0.9502 0.5852 0.5852 0.5852 0.5852 0.9029 1.0286 1.2038 0.5852 0.5852 0.5852 1.1455 2.5092 0.5852 0.8631 0.5852 0.8237 1.1273 2.7559 0.7955 0.9157 1.4361 0.9135 0.9687 1.1185 0.9205 0.5852 1.0000 0.9692 1.6414 0.5852 0.8986 1.6316 2.7417 0.5852 1.7259 0.8353 1.6936 0.5852 1.0250 0.9051 0.5852 0.9904 0.9453 2.0003 1.0354 1.0807 1.1887 decadienedioic acid (C10:2-DC)** 0.6527 3.1716 2.3739 0.8565 0.8546 1.3254 1.9094 1.5446 0.8424 1.0970 2.9142 0.9408 1.4946 1.4319 0.2828 3.1048 0.3419 0.8419 1.3185 1.0746 0.7539 1.0478 1.4701 0.4795 2.7879 0.6775 1.2850 1.5246 1.5773 0.8618 0.5403 1.3236 0.5699 2.7505 4.4189 1.5501 1.4845 0.5018 1.5328 1.0784 0.6876 1.6212 1.5210 0.4378 2.9594 0.6011 1.0803 1.2497 2.3882 4.7019 1.0675 0.6361 0.7082 1.0920 0.9119 0.9137 0.5826 0.9661 1.9191 0.6444 0.4350 0.2708 0.3721 0.5250 0.8496 0.1730 0.1622 0.6310 0.3806 0.2381 1.7210 0.8630 0.9728 0.5887 0.6912 0.5337 1.6761 0.9856 0.2955 0.2537 1.3241 1.1538 1.4719 1.0492 0.5614 0.5045 0.6268 0.8840 1.3929 0.1178 1.3115 0.5399 0.5867 0.0754 0.5022 1.7277 0.4657 1.0527 1.1757 0.4442 0.4230 0.9264 1.1057 1.0335 0.8155 0.5091 1.2655 1.8471 2.6626 1.5348 1.9373 1.1328 0.4582 1.0748 2.3898 2.6879 0.8411 0.2982 1.3892 0.6971 0.3240 1.0000 2.4057 1.2800 0.8976 2.5949 2.2825 1.3211 3.4458 1.8172 0.6576 decanoylcarnitine (C10) 1.0786 2.4029 1.0652 1.1920 0.8831 1.0233 1.1949 0.8526 1.0000 1.1092 0.6484 0.6842 0.9908 0.3959 0.4102 1.2803 0.4424 1.5945 0.9522 0.7386 0.6076 1.4348 0.9833 0.8396 0.6197 1.1523 7.4513 0.4393 0.8608 0.6454 1.1854 0.7138 0.8287 4.3856 1.3432 1.4236 1.2216 1.2679 0.9328 1.6521 0.8413 1.1170 0.9945 1.4365 0.8872 1.2545 0.7056 0.7182 0.9633 0.8656 7.4155 0.4487 0.7585 0.9099 0.5106 1.1039 0.5700 1.4545 1.1527 0.7397 0.7015 1.3426 1.7975 1.8593 0.5301 0.9225 1.4070 1.6623 0.2576 0.9470 2.6145 1.6695 1.2049 2.6342 0.8332 0.8101 0.3161 0.8555 1.8951 0.4349 0.9151 0.8618 1.1400 0.8434 1.2441 1.4754 2.2431 0.9858 1.0909 0.7903 0.7828 1.4000 0.9379 1.2561 0.1010 1.2599 12.0563 0.7354 2.2257 2.6393 0.3498 1.4640 1.3494 4.5436 0.5621 1.6217 1.1022 1.1754 0.7042 1.6638 1.0919 0.8319 0.9984 1.2824 1.4435 0.9174 0.8269 0.6328 1.2026 0.3788 4.0174 2.1813 0.7734 0.9806 1.0572 1.0131 0.5344 1.4299 3.5246 3.0630 0.7342 dehydroepiandrosterone sulfate (DHEA-S) 0.5879 1.6430 1.9577 0.5681 2.1855 0.1368 0.7073 0.4032 0.8809 0.4473 1.0158 0.3613 0.1796 0.6220 1.4600 0.4287 0.4999 0.3803 1.4886 1.4424 0.3624 3.5391 0.2575 0.4373 4.4474 0.9868 0.4403 0.8948 0.5347 2.3827 1.5634 0.6911 1.4014 2.9489 1.0350 0.6070 0.7129 2.4975 1.2508 0.7417 1.0000 0.7809 1.2292 2.7269 1.0561 0.5094 1.1168 1.1278 1.0943 0.4101 0.5383 0.4267 1.3454 1.0829 1.4249 0.8335 0.0545 0.4878 0.8840 0.3220 0.5981 0.7630 1.8855 3.7863 0.9943 2.1430 1.8394 1.6826 1.1790 1.5611 1.5547 0.6284 1.1674 1.0739 1.1479 2.7346 0.7358 2.1545 0.7787 0.7491 0.6630 1.0047 2.9017 1.8077 1.9532 4.3805 0.3752 0.0973 0.9475 0.8157 0.8833 1.6899 3.7190 2.2719 1.8414 0.4827 1.0803 0.2862 1.3398 0.9446 0.8165 0.6667 0.9404 1.6335 2.4014 1.5939 1.8103 1.3326 0.3904 1.8356 2.8639 0.6073 1.4259 1.5600 2.8885 0.2307 2.0729 0.9514 0.8100 0.8862 0.2060 0.8692 1.6662 0.9218 0.5687 1.6393 1.4720 0.1161 0.2593 1.2990 2.8935 delta-CEHC 1.3928 0.4299 0.7877 1.4418 1.3653 2.0485 0.6303 4.6734 2.0051 0.8419 0.6769 2.2920 0.4540 1.4312 0.9476 0.4299 1.3019 0.4299 0.4299 0.9365 0.4299 0.4299 1.3386 1.4020 0.4299 0.6948 0.9654 0.8955 0.4299 0.4299 1.6386 2.7025 1.5502 0.4299 0.7985 1.1687 1.8208 0.4299 1.9306 0.4299 1.1579 0.5131 0.4299 0.6015 0.6342 0.4299 2.8061 3.0468 4.4534 0.5156 3.0028 1.0208 0.4299 0.4299 0.9334 0.4299 0.5303 0.4299 0.4299 0.4299 0.8643 0.6191 0.4299 1.5955 1.3142 1.6238 0.7142 2.7947 0.4299 0.4299 0.5631 1.1499 0.9370 0.6764 0.5267 0.4299 0.5678 1.3869 0.4299 0.7565 0.4299 0.4299 1.0806 1.0681 1.3772 0.8110 0.4299 1.4680 0.5033 1.4963 2.8523 0.9792 0.5777 0.4299 4.4506 1.5043 0.4299 1.7900 0.5326 0.5957 5.7739 1.2437 0.4299 0.5956 0.4420 0.9553 0.4299 2.4064 0.4299 1.2083 0.8313 0.5288 1.0731 0.5785 0.4299 1.1924 2.0765 0.5765 0.5187 0.6836 0.6016 1.2686 1.2832 0.6032 0.5719 0.4299 0.4299 0.9362 2.1358 0.7585 0.7642 deoxycarnitine 0.5057 1.3393 0.8493 1.2646 1.1706 0.7070 1.2025 1.5213 0.8652 0.8269 1.0564 1.1363 1.0600 0.7563 0.7785 1.3699 1.8437 1.0643 1.3261 0.9827 0.8428 1.1156 0.8383 0.0170 0.9193 1.4617 1.9267 0.6804 0.9962 0.9520 0.8531 1.0020 0.6174 1.3166 0.8311 0.8110 0.9727 1.6287 0.6853 0.8627 1.2038 0.9565 0.8974 1.2588 0.8473 0.6806 1.2791 0.6890 1.6803 0.7938 1.0322 0.8576 0.7748 0.6045 1.1915 0.7537 1.1159 0.6899 0.8371 0.5501 1.0837 0.9837 1.0244 1.3441 1.0375 0.9787 1.2837 1.0753 1.0127 0.8581 0.8522 1.0130 0.9081 1.1982 0.9598 1.4301 0.5386 1.2275 0.9480 0.8278 0.8913 1.1516 1.3748 0.8337 1.0409 1.0736 1.0131 1.2082 0.9066 0.9250 1.0802 0.6894 1.8956 0.7923 1.4137 1.0321 1.0761 0.7700 1.5751 1.1853 1.3738 0.8736 0.8163 1.1888 1.0946 1.1897 1.0951 1.2619 1.1975 1.4493 1.0930 1.1762 1.4506 0.9552 0.9873 0.9851 1.2954 1.2752 0.9694 0.5449 0.9661 0.7721 1.0860 1.1020 0.6963 1.2095 0.9307 0.7166 0.9343 1.0000 0.6433 deoxycholate 1.9009 0.3301 1.7998 0.3301 0.8967 1.6390 2.4059 1.4523 0.8011 2.0340 0.8670 1.1683 1.0745 1.5442 0.4450 0.6630 0.3301 1.8559 0.8407 0.6772 1.1972 2.7462 0.7846 2.0325 0.6475 0.7044 1.1080 0.4220 0.3301 0.3301 0.6243 1.0928 2.0842 0.6920 2.0304 0.8051 2.2077 1.9947 0.8736 1.3479 0.3301 1.9047 0.8586 0.9268 12.0950 1.5393 1.5819 0.4628 0.5216 1.2216 2.2205 2.0126 0.3301 0.6013 0.5691 0.5566 1.7098 0.3301 0.7123 0.5100 1.3834 0.8390 0.4755 1.2532 1.4285 0.6564 1.2968 1.2126 0.7975 1.3974 1.0000 0.6645 0.3301 0.3301 0.5650 1.5303 0.5264 0.9814 0.4164 0.8858 1.0184 0.5939 0.5340 1.2517 0.4063 0.7510 0.4586 2.5789 0.8304 1.1345 1.2738 1.1085 0.6782 1.6610 1.2067 5.2513 1.6775 2.1523 0.8919 0.8906 0.3301 1.6665 0.3835 0.5715 1.4191 2.5998 0.7371 1.8848 1.9211 3.4906 1.3694 0.9150 0.7445 0.7937 1.9141 1.3822 0.6024 2.2144 0.8194 2.3286 0.8482 2.2567 0.9990 0.5190 0.6719 1.5183 0.8516 0.7150 0.7062 0.5285 1.0963 deoxycholic acid (12 or 24)-sulfate* 1.1939 0.1886 2.1842 0.3772 0.9355 1.9292 2.0499 1.3535 2.0993 5.1810 0.6497 2.1896 0.3448 2.1235 0.3570 0.4406 0.1886 2.0633 0.8758 0.8681 1.5886 4.3257 1.0352 8.1590 0.1886 0.4897 0.3903 0.8384 0.5486 0.2630 0.1886 0.6889 1.7467 1.9740 11.3507 0.9731 1.4456 0.4257 1.0880 0.3251 0.5766 5.0979 0.1886 0.6078 11.1941 9.2045 0.3310 0.1886 1.3222 3.1420 5.0625 1.2165 0.1886 0.1886 0.1886 0.4654 0.4498 0.1886 0.7368 0.1886 0.6374 0.2377 0.2546 0.4847 1.6138 0.1886 0.8402 1.3382 0.3417 3.3262 0.7142 0.1886 0.3676 0.1886 0.1886 0.1886 1.0269 0.1886 0.1886 1.1969 1.3302 0.1886 0.3516 1.2952 0.3457 0.4248 0.1886 2.6109 0.8909 0.3490 0.7205 3.5404 0.1886 0.1886 1.3115 5.0384 2.9468 2.5656 1.2321 0.2990 0.5260 2.3520 0.1886 0.3220 2.3585 1.5636 0.6065 0.4411 1.3351 4.2316 0.8108 0.6510 0.2936 0.1886 2.0089 4.6955 1.0610 6.4415 0.7400 2.9493 0.6623 5.0396 0.8424 0.2957 0.7494 0.7338 1.5527 0.8364 0.2389 1.0879 6.1721 deoxycholic acid glucuronide 0.7880 2.6426 0.7985 1.2161 0.7617 0.1976 1.0752 1.5630 0.6634 3.1845 0.5763 1.9176 1.1152 1.9152 0.2816 0.3458 0.7677 0.8980 4.1797 4.0133 0.1975 4.7455 1.2158 2.6782 1.5435 1.0620 1.2286 0.9612 5.8725 0.4040 0.4374 1.5360 2.8920 0.4320 2.3346 1.7026 0.4968 1.8725 0.8243 0.2256 12.3117 2.3083 0.3790 0.4527 19.0157 3.1503 1.8384 1.0019 1.0290 2.5569 0.9209 0.5859 0.3641 0.1519 0.6463 0.5687 0.6445 5.4608 1.0754 0.3211 0.0840 0.0859 0.6383 0.3364 1.1702 0.3029 2.5803 1.0882 1.3112 0.7917 0.8936 0.3172 0.1781 0.0840 0.2122 2.4818 0.5657 0.3809 0.3305 0.5924 2.2009 0.3806 0.5936 2.0472 0.7345 0.7069 1.2976 5.4401 0.7839 1.4542 0.2397 0.7302 0.5608 0.0840 0.0840 3.0493 2.1241 1.5528 1.5585 0.8320 5.7016 3.0658 0.4012 0.4526 2.4622 1.2856 0.8440 0.7069 1.8414 1.5443 1.7687 0.8670 0.1034 0.3152 1.1716 1.8110 0.6465 0.5340 1.4637 4.5759 0.9981 1.3243 0.6570 2.1397 1.2354 1.4664 1.6999 0.1509 3.1806 0.2768 3.9986 desmethylcitalopram* 0.2908 0.2908 0.2908 0.2908 1.0714 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 1.2389 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.3611 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.5108 0.2908 0.4625 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.5735 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 2.8467 0.9189 0.8985 0.2908 0.2908 0.2908 0.2908 1.1400 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 2.0745 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 1.0000 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 2.7569 0.5493 0.2908 1.1725 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 1.7312 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 0.2908 desmethylnaproxen 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 1.9458 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 1.0000 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 0.3355 desmethylnaproxen sulfate 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 1.0000 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 2.4858 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 1.2457 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 9.9065 0.1103 0.1103 0.1122 0.1103 0.1103 0.7827 0.2288 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.2876 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 45.8916 0.1103 8.9824 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 2.3991 28.5630 0.1103 0.1103 0.1103 0.1103 0.9213 0.1103 0.1103 0.1103 0.1103 0.1103 0.1103 0.5730 didesmethylcitalopram* 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 3.7644 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 2.7269 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8983 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 1.0000 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 0.8921 dihomo-linoleate (20:2n6) 1.4127 2.0285 1.7145 0.5908 1.1566 0.8461 0.8994 0.6520 0.5940 1.4051 2.8744 0.8580 2.2401 1.6402 1.5618 1.3685 0.3575 1.0251 0.8105 1.7118 0.7410 1.3834 1.3434 1.0704 2.8317 0.8232 0.6588 1.3642 0.6648 1.2931 1.1008 0.6038 1.0736 1.4277 0.8559 0.7741 0.7306 0.3803 0.8140 1.1562 0.3349 1.9831 0.7155 1.0753 0.7669 1.0301 0.6861 1.0639 0.5078 0.9022 0.7814 0.3663 0.8170 0.7802 0.4416 1.5416 0.5458 0.7947 1.0596 0.9153 0.8407 0.8919 0.7352 0.7700 1.0209 0.8740 0.9523 0.9539 0.5435 1.7442 1.1885 0.7490 1.0927 0.8320 0.7434 0.2620 2.0325 0.9230 1.3029 0.5138 1.1672 1.2946 1.5550 1.2370 0.7194 0.5135 0.9189 1.1071 0.9384 0.5868 0.5490 0.5253 0.6544 0.4323 0.1315 1.8295 2.2778 1.0474 1.3076 0.8077 1.2043 0.4500 0.5031 0.9888 1.0557 1.2357 1.8439 1.1448 1.1547 1.0221 1.4720 1.1471 0.9893 1.3189 1.4389 1.4868 0.9631 1.2868 0.9302 1.4237 1.1096 1.0000 0.8054 1.2691 0.9529 2.0418 1.5337 1.4632 1.7077 1.1700 1.3032 dihomo-linolenate (20:3n3 or n6) 1.0229 1.8322 2.1795 0.6272 1.7622 0.8057 0.6632 0.5097 0.7216 1.1611 2.3291 1.0111 1.9733 1.7490 1.6226 1.4164 0.2870 0.9456 0.5664 1.1346 0.7767 1.4340 0.9858 0.9202 1.9679 0.8080 0.6799 0.7628 0.7954 1.2771 0.7718 0.6910 0.8753 1.1126 0.7711 0.6738 2.3370 0.4725 1.0879 0.6336 0.4436 1.2488 1.0419 1.1548 1.1144 1.0033 1.0815 0.9471 0.3021 1.0874 0.9577 0.4974 0.8860 0.3549 0.8569 1.5312 0.8652 1.0000 1.0029 0.7861 0.7915 0.8355 0.6697 0.4222 0.8730 1.4523 1.4268 0.8622 0.7100 1.9583 0.8549 0.5105 0.7989 0.9251 1.0592 0.4343 1.3051 0.9027 1.5884 0.7250 1.8272 1.0913 1.0089 1.5819 0.6428 0.6466 1.0569 1.6567 1.0704 1.7533 1.0973 0.4463 0.7432 0.5073 0.3007 1.6041 1.7317 0.7905 1.0865 0.7468 0.9842 0.8101 0.7429 1.1427 1.9331 0.7764 1.4464 0.9680 1.2891 1.1499 1.5204 0.9434 1.0761 1.0732 1.0318 1.1957 0.9440 1.0349 1.0824 1.7767 1.2942 1.1735 0.8963 0.9895 0.9797 1.6348 1.2851 1.9648 1.3352 0.9002 1.3806 dihomo-linolenoyl-choline 0.2980 2.3356 0.6822 0.3025 1.2008 0.1456 0.1456 0.1456 1.6788 0.1456 0.2374 1.0000 0.3065 0.6527 1.7817 0.9471 0.1456 0.4684 0.1456 0.2270 0.1457 0.9871 0.4150 0.2201 0.2977 1.0708 1.2960 0.2211 0.8994 1.6476 0.2233 1.1077 0.1456 2.0747 0.2540 0.4372 8.2856 0.9684 0.7570 0.1456 0.2158 0.7789 1.4031 0.7779 0.8338 0.1765 2.0034 0.1456 0.1456 1.3126 0.8019 0.6133 0.5045 0.2830 6.1449 5.1727 2.0822 0.8490 1.6462 0.8416 0.5506 1.1160 0.6336 0.4751 1.5925 3.7407 4.1807 0.9639 1.6480 1.1555 0.5661 0.1456 1.2384 0.4849 1.8312 0.9400 0.4662 1.5634 2.4229 5.1575 3.8971 1.6812 1.1916 4.2521 1.4952 1.4436 3.0338 5.1812 2.0085 8.4340 4.3316 0.4947 2.8083 0.5107 1.3516 1.6905 0.1456 0.2487 1.1170 2.6239 0.1802 1.4787 0.8906 1.3420 2.4035 0.1456 1.0978 0.4003 0.9824 0.5379 0.6878 0.2477 2.7550 0.1456 0.9941 1.2614 0.1794 0.1456 1.1402 1.6202 2.2996 0.8128 0.5707 0.6370 1.6650 1.0106 0.9474 5.5844 1.5749 0.3659 3.6691 dihomo-linolenoylcarnitine (C20:3n3 or 6)* 1.0255 0.7957 1.0251 1.3339 1.7206 1.3274 1.0659 0.8723 0.4937 1.0471 1.6430 0.9195 1.0433 1.0302 0.9392 1.0453 0.9948 2.8573 1.4896 1.1864 1.0000 0.9444 0.6587 0.5936 1.0103 1.6198 0.8728 0.7028 0.5812 1.3141 1.0762 1.2456 0.6939 0.9386 1.9133 0.9056 1.1737 1.1655 1.2734 0.7137 0.6649 1.1860 1.0373 1.2680 0.5719 1.1540 1.9167 0.3322 0.8836 1.2854 1.2766 1.1358 0.4875 0.7724 1.2377 1.4307 0.7783 1.5547 0.6253 0.7278 0.4972 0.7933 0.7975 1.1886 0.6508 0.7812 1.0791 0.6497 0.8313 0.5877 0.9632 0.6840 0.5588 0.4016 0.7126 1.2635 0.5021 0.7333 0.7210 1.3761 1.1307 1.3240 1.0200 1.2600 1.1291 1.2593 0.8975 1.0559 0.4972 1.2521 0.8115 0.5111 0.8163 0.4327 0.3498 1.2237 1.2872 0.5609 1.3578 1.8118 1.2275 1.1612 0.6183 1.0414 1.1172 1.0777 0.6454 0.7153 1.9927 1.1349 0.9109 0.9179 1.2958 0.6351 0.7155 0.9449 0.9742 1.0228 0.8086 1.0008 0.5401 0.9133 1.2446 0.8976 0.6937 1.1181 1.1734 1.0887 1.2651 0.7030 0.6120 dihomo-linoleoylcarnitine (C20:2)* 1.1090 1.3184 0.8264 1.1815 1.5837 1.1417 1.4653 0.7242 0.4534 0.9121 1.0967 0.8300 1.2616 0.7668 0.7449 1.0000 0.9861 2.1630 1.3093 1.6070 0.6088 0.7940 1.0677 0.4716 1.1938 1.6009 1.0224 0.9404 0.6675 1.7088 0.9713 1.1365 0.5780 1.1121 1.2941 1.1593 0.7785 1.0066 0.8859 1.0362 0.5380 1.3527 1.0759 1.3260 0.6549 0.8176 1.1082 0.3855 0.9038 0.9720 1.1652 0.6463 0.3341 2.2190 0.9658 2.1107 0.6372 1.6508 0.7014 0.8757 0.7706 0.9717 0.9474 1.3293 0.6546 0.6770 0.9953 0.6771 0.6478 0.6145 0.9285 0.7947 0.9909 0.6170 0.5821 1.2866 1.0972 1.0594 1.0828 1.0663 1.1069 1.7052 1.5887 1.6339 1.1735 1.2198 1.2236 1.2440 0.4464 1.1784 0.7031 0.8878 0.7575 0.5786 0.2732 1.3962 1.4983 0.5726 1.1224 1.9443 1.5809 1.1532 0.6305 1.0185 0.9574 1.2866 1.0641 0.8007 1.3983 1.0164 1.2751 1.0917 1.2558 0.5847 0.7761 1.2190 0.7500 0.8088 0.7650 0.5702 0.6318 0.7089 1.2971 1.0814 0.5900 1.3568 0.9643 0.7002 1.7353 1.0126 0.3601 dihydrocaffeate sulfate (2) 3.0313 19.9171 0.1006 2.1635 0.8942 1.7979 1.5292 1.1595 0.3317 1.6373 0.0431 2.3539 0.0431 0.0819 0.0553 0.0431 3.1684 0.0475 0.2753 1.9972 1.1880 0.0480 0.8602 0.2650 0.0617 0.0431 1.2482 0.0431 1.6036 0.7716 2.5678 1.2345 0.0889 0.0513 0.1114 0.0431 0.0431 2.2012 0.2159 0.0431 2.2198 0.0446 0.0431 0.0431 1.0669 0.0593 0.9327 0.2139 1.9052 1.3909 0.1791 0.9251 2.7427 0.4944 0.9994 1.8646 2.6934 1.7993 2.5938 0.7794 1.9515 1.7203 0.9122 1.4339 0.3561 0.7469 10.4751 0.3655 1.2715 1.4127 0.0431 0.0431 0.0431 3.2610 0.0431 1.5074 0.6361 0.0431 1.4818 0.9112 2.4772 0.7216 1.4566 0.0572 0.7326 0.7634 1.0663 4.3231 4.4194 1.9019 0.7777 0.9464 0.8462 1.3100 0.6906 0.0556 0.8720 0.0431 0.4541 3.2347 6.6724 6.5092 0.5472 0.4462 4.9164 1.6828 0.6845 0.0431 4.0562 1.1993 0.5797 0.8424 5.1780 1.1985 0.4705 11.7686 3.2940 1.0006 0.4103 0.7393 0.5107 0.8313 0.0919 0.9845 5.9250 1.9791 0.4894 0.3331 6.7441 0.0431 1.8194 dihydroorotate 0.1442 0.1340 0.1340 1.3521 14.0277 2.2713 0.5822 0.5774 0.1340 0.8273 0.1340 0.2305 0.3933 0.1340 0.1340 0.3553 1.5116 0.3431 0.2597 0.5465 0.1340 0.1340 0.1631 1.2616 0.1340 0.7766 1.0836 0.6631 0.3595 0.1340 0.1340 0.1340 0.5028 0.2014 2.1606 0.9839 0.1340 0.4496 0.1340 0.6917 0.4735 0.5714 0.4317 0.1340 0.1340 0.3778 0.2358 0.1340 1.2298 0.1340 1.0497 0.3200 0.1340 0.6667 0.3152 0.6405 0.1340 0.1340 0.1340 0.1340 0.4229 0.7750 0.3062 0.7070 0.5656 0.3501 0.4602 0.1852 0.4810 1.0000 0.2636 0.2512 1.6433 0.1340 0.5661 0.1340 0.1672 0.7807 0.1340 0.1340 0.1340 0.1340 0.1340 0.1340 3.8855 0.6989 0.1340 0.1792 0.2595 0.3038 1.7900 0.1340 0.1340 6.1433 0.1340 3.8239 4.7312 6.0558 1.3098 4.0437 1.1189 6.6106 5.0312 5.7827 6.0289 4.0274 12.2481 3.4856 1.6226 8.5216 1.4149 5.1863 4.0131 2.4078 8.9484 5.5041 5.6686 9.2710 7.5544 2.5075 0.8308 1.7520 1.2759 6.5955 5.2213 5.0952 3.3546 9.7565 8.9702 7.3940 4.1449 diltiazem 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 dimethyl sulfone 0.3513 0.3011 0.8136 0.3011 0.8910 0.3011 2.2372 1.2664 0.6047 1.8766 0.5396 0.6584 0.3197 0.3011 0.3011 0.3011 0.3011 0.4507 1.1714 0.3011 3.0848 0.5500 0.3011 1.0956 0.3011 0.3011 2.0416 0.6359 0.3011 0.9584 0.3011 0.3011 0.3011 0.3011 0.3011 0.3011 0.3011 0.3011 21.3729 0.3011 0.3011 0.3654 0.9768 0.3011 8.5715 0.9703 4.0909 0.3011 2.3255 0.5186 2.4115 1.0192 0.7107 2.2797 1.6875 0.7709 2.0518 0.3011 0.9281 2.6663 0.3011 1.2594 0.3011 0.3011 0.4165 0.3011 1.3167 0.3011 0.3011 0.3011 0.8961 0.3011 1.2032 1.4383 0.4330 0.7464 0.3011 0.3011 0.6917 0.3588 0.7767 0.3011 0.3011 0.3011 1.6517 0.3011 1.3534 1.7151 0.7098 0.5105 0.3011 0.3011 0.3011 31.5033 5.7675 1.3364 0.3011 0.8599 0.3011 345.0364 8.4835 2.6136 1.2014 0.3011 30.4029 0.4956 0.3270 2.8478 0.5761 0.3011 0.3011 0.3011 0.7649 0.3011 0.3011 0.6774 1.2438 0.5720 2.1455 1.6178 0.7628 0.3011 44.9391 33.2701 0.8504 0.3011 0.3011 0.4954 0.9491 1.0351 1.0000 dimethylarginine (SDMA + ADMA) 1.0455 1.1698 0.8739 1.0569 1.1773 1.0004 0.8574 0.9852 0.8312 1.1666 1.0634 1.0000 1.0083 0.9264 0.9031 1.2001 1.1099 1.0625 1.4905 1.2155 1.0416 1.0004 0.8753 0.7842 1.0110 1.0783 1.2461 0.9986 0.7925 0.9977 0.9844 1.1457 0.8437 0.9717 1.0914 1.0986 1.0171 1.0246 1.0262 0.9380 0.8548 1.1519 0.9917 1.0056 1.0045 1.0231 0.9522 0.7379 1.4069 1.0500 1.0692 0.7442 0.5964 0.8268 0.7813 1.1372 0.9937 0.7616 1.0142 0.7881 1.0492 1.2193 1.0712 0.9133 0.9865 0.8804 0.9596 0.7255 0.8230 0.9340 0.8994 0.9933 0.7920 0.9311 0.8321 0.9927 0.8753 1.0538 1.0150 0.8788 0.8563 1.0572 0.8988 1.1071 1.1159 0.9525 0.9698 1.0567 0.9859 0.8925 0.9774 0.9326 1.0379 0.9213 0.9113 1.1835 0.9574 0.9991 1.1098 1.2845 0.9403 1.0184 0.9839 0.9218 1.0497 1.0369 1.0092 1.2224 1.0168 1.1671 0.9054 1.0289 1.2265 1.0412 0.9917 1.2189 1.0038 1.0566 1.0481 0.9235 0.8030 0.9140 1.1000 1.1359 0.8075 1.1535 0.8954 0.9260 1.4602 1.1476 0.9921 dimethylglycine 0.8289 1.0277 1.0000 0.8662 1.2335 0.7188 0.9234 0.7910 0.8212 0.6778 0.6107 1.0851 0.4159 0.6929 1.5314 0.8399 1.6018 1.3491 0.8774 0.4602 1.2996 0.7848 0.5871 0.8096 0.8417 1.8836 1.3874 0.7321 1.1970 0.7047 0.7282 1.6461 0.8445 0.9359 1.6218 1.0885 0.7971 1.0343 1.3264 0.9308 1.1241 0.8089 0.8236 1.0498 1.5737 0.6079 1.0734 1.1120 1.6977 0.9369 1.2823 2.4398 1.0057 0.7975 1.1354 0.8642 0.5443 0.5613 0.6755 1.2414 0.5678 0.7328 1.8264 1.1707 0.5382 0.7794 0.9189 0.6046 0.8779 0.8730 0.6147 0.9485 1.3728 1.0415 0.8786 0.8244 0.5882 0.7760 0.9539 0.9188 0.8044 0.7521 0.9415 0.8325 1.1480 0.9628 1.2487 1.0025 0.8423 1.0107 0.5937 1.4650 1.4674 0.6885 0.9519 1.3123 0.7910 0.9915 1.3325 0.8903 1.3270 0.8532 1.6413 1.1455 1.4064 1.0885 1.8170 1.3322 1.3609 1.2022 1.1723 1.5059 1.3366 1.2152 1.8301 2.1451 1.4857 1.2942 1.4432 0.8718 0.7510 1.1154 1.7663 1.5320 2.1318 2.7857 1.7395 1.0870 1.5406 0.9000 1.2617 docosadienoate (22:2n6) 1.2558 1.7617 1.7242 0.6108 1.1157 1.0835 0.8950 0.7452 0.6289 1.3814 2.1954 1.0242 1.3583 1.5088 1.4119 1.0000 0.5386 1.2503 0.7777 1.7455 0.6793 1.2357 1.6227 0.9559 2.5434 0.7823 0.6559 1.2023 0.7666 1.0778 1.2252 0.5908 1.4766 1.4998 1.0298 1.0396 0.6211 0.4632 0.9565 1.0329 0.5209 1.8636 0.8211 1.0984 0.9527 0.9595 0.7874 1.6943 0.5036 1.0444 0.7584 0.4198 0.6197 0.8550 0.4338 1.4393 0.5042 0.7828 0.8679 1.0732 0.7573 0.9311 0.6198 0.7386 0.9175 0.8973 0.7686 0.8812 0.5680 1.8179 1.1489 0.8128 0.9263 0.7391 0.7470 0.3495 1.9346 0.9403 1.1327 0.5322 1.3575 1.2280 1.6342 1.1725 0.7418 0.6746 0.8604 1.1096 1.3657 0.7854 0.6557 0.6115 0.6346 0.4937 0.1876 1.5427 2.1531 1.0339 1.1360 0.9718 0.9302 0.6258 0.5302 1.0109 0.9369 1.0758 1.4016 1.0632 1.0581 0.9269 1.2611 1.2192 1.0271 1.6305 1.2975 1.1877 0.9152 1.1669 0.8124 1.4793 0.8675 1.1504 0.8844 1.4802 0.9240 1.7319 1.5126 1.3903 1.4260 1.0712 1.4178 docosadioate (C22-DC) 0.8707 0.5375 0.5969 1.1214 6.7752 0.7023 0.6776 2.7755 0.5777 2.1243 0.3740 2.9365 0.3740 0.6150 0.9094 0.5167 1.7976 0.6340 1.6811 1.7209 0.5919 0.4574 1.1550 3.5103 0.6879 1.0539 1.5020 0.8041 0.3857 0.6120 1.5718 1.2993 0.7482 0.4544 0.5679 0.7109 0.7505 2.0252 1.0268 0.5269 0.8809 0.3740 0.5068 0.4869 1.3052 0.6215 1.9351 3.1377 1.0669 0.6655 1.3281 1.5747 0.7478 1.4453 1.6869 0.7346 0.7355 0.8847 0.8027 1.4365 1.1165 1.4039 1.0000 1.5847 1.4787 1.7174 1.0647 1.1311 1.6328 1.0595 0.8633 1.6260 1.1259 1.0178 1.2094 1.7707 0.5600 1.7128 0.7786 0.9608 0.8971 1.2991 1.8088 0.6870 1.8129 6.6858 1.7671 2.1067 0.9623 1.0890 2.2261 2.3459 2.4764 1.5588 4.3376 0.8394 0.7920 1.0688 0.7570 1.0196 1.3912 1.4472 1.1348 0.7240 0.7080 4.5724 0.6859 0.6494 0.4336 1.5100 0.8739 1.4165 1.4239 0.9862 0.5068 1.5937 1.5688 0.9612 0.5399 0.5745 1.3074 0.6522 0.7204 0.9216 0.9361 0.8409 0.9908 0.7024 0.6742 0.8223 0.9571 docosahexaenoate (DHA; 22:6n3) 0.7384 1.5300 2.8270 0.5538 1.8469 0.7767 0.8262 0.5448 1.2333 0.7836 1.6652 1.0552 1.8455 1.9367 1.0681 1.0145 0.3611 0.7355 0.3378 0.5111 0.6717 1.2800 1.1153 0.9578 1.0535 0.7308 0.7060 0.7611 0.8670 1.0701 0.7999 0.7591 0.6702 0.5544 0.6244 1.0000 2.0932 0.7165 0.6640 0.5413 0.2417 1.0591 0.8418 0.7807 0.8714 0.9407 0.6702 2.1061 0.2352 0.5690 0.9432 0.5862 0.9027 0.7394 0.9644 1.4722 1.9952 1.6342 1.3881 0.4709 0.4934 1.4889 1.7829 0.7271 0.7458 1.1362 1.8889 1.0822 0.9234 2.2334 0.9400 1.1546 1.1867 0.8622 1.7808 0.5573 1.5784 1.1751 4.2185 1.2754 2.3950 0.8109 1.7486 0.8553 0.7552 0.7198 2.6001 2.0355 2.5085 0.7790 1.1213 0.5923 1.6059 1.0846 0.3949 2.0414 2.3016 0.6619 1.2871 0.5027 0.7955 1.0655 0.8305 0.5996 2.2701 0.8776 2.8125 1.4523 0.9192 0.8986 3.1005 1.0929 0.9549 1.8152 1.8611 1.0785 1.0593 1.3008 1.4056 1.7291 1.6671 0.7219 0.8921 1.2476 1.5869 1.3309 1.1437 0.8738 1.7677 0.6769 1.0370 docosahexaenoylcarnitine (C22:6)* 0.5361 0.3701 1.9985 0.3701 0.3701 0.8241 0.9764 0.3701 0.8938 0.3701 1.1959 0.5112 0.8334 1.5403 0.4308 0.3701 0.3701 1.5120 0.3701 0.3701 0.3701 1.0030 0.4547 0.3701 0.3701 1.0771 0.6151 0.3701 0.3701 0.6561 1.4476 0.3701 0.3701 0.4799 0.3701 2.1198 4.0056 1.6529 0.4102 0.4983 0.3701 0.3701 0.8490 0.6212 0.3701 0.3701 0.3701 0.3701 0.5033 0.3701 0.9508 0.3701 1.2605 0.4640 0.3701 0.3701 0.3701 1.8619 1.7160 0.3701 0.3701 0.5482 2.1907 1.0905 0.3701 0.3701 0.8526 0.3701 0.3701 1.2063 0.4283 0.6927 1.1758 0.3701 0.9298 0.6911 0.3701 0.3701 1.7435 1.4398 1.5436 0.3701 1.5308 0.3701 0.3701 0.7577 2.3105 0.7682 1.8576 0.3701 0.4106 0.8868 1.0500 0.5877 0.5997 1.4564 1.1014 0.3701 1.6613 0.5639 0.3701 1.1385 0.3701 0.3701 2.6425 0.4065 2.9556 2.2647 0.9537 0.8692 2.7241 0.3701 0.3701 2.0338 3.9478 0.3701 0.4325 0.3701 1.5043 2.1204 0.6325 0.3701 0.9195 1.4456 1.3663 0.5556 0.3701 0.3701 2.7262 0.9970 1.2156 docosahexaenoylcholine 0.3304 3.7183 1.0025 0.2799 1.0139 0.0815 0.0815 0.0815 2.6022 0.0815 0.1976 0.7269 0.8604 0.5991 0.9975 0.7912 0.0815 0.5467 0.0815 0.0815 0.0949 1.0241 0.2396 0.0815 0.4970 0.7453 1.8295 0.3448 1.1779 1.8811 0.3420 1.3881 0.0815 1.4906 0.2302 0.9535 6.6021 1.1262 0.4326 0.0815 0.0815 0.5734 1.2909 0.4722 0.6803 0.1191 0.8965 0.1556 0.0815 0.7404 0.7413 0.6389 0.4220 0.9862 4.3324 3.7835 3.4302 1.5818 2.3437 0.2945 0.3621 1.1186 0.9906 0.7675 1.2574 1.9508 3.7772 0.9377 1.5741 1.0502 0.4468 0.0815 1.7980 0.4707 2.3159 1.0936 0.8991 1.7938 5.9564 6.0345 2.7103 0.9689 2.1122 1.8821 0.9450 1.2955 7.3363 5.5471 3.7550 3.2425 3.9108 0.5074 5.0017 0.9337 1.3249 1.7988 0.0815 0.2038 1.2402 1.6182 0.2273 1.6068 0.7398 0.4386 2.5650 0.0815 3.4264 0.5036 0.6161 0.3743 1.0805 0.2394 1.5013 0.0989 2.2030 0.7469 0.1592 0.0815 1.1858 1.1209 2.5134 0.3055 0.7523 0.9632 2.0238 1.0591 0.6424 2.3483 1.9904 0.3170 2.1002 docosapentaenoate (n3 DPA; 22:5n3) 1.2369 2.5425 4.0598 0.6223 1.0437 1.0275 0.8038 0.5481 0.8605 1.4065 2.7388 0.9839 2.7969 1.7280 1.6060 2.2136 0.2000 0.7629 0.6204 1.1383 0.4515 1.3557 0.7863 1.3917 2.2797 0.6958 0.6762 1.0204 0.5566 0.9574 1.0244 0.6936 1.0000 0.9708 0.7210 0.7381 1.1294 0.4510 0.5639 0.6893 0.4482 1.4553 0.7893 0.9198 0.6625 0.8408 0.7869 1.2316 0.2900 0.7729 0.8001 0.3812 0.5137 0.5110 0.5534 1.2121 0.7448 1.3624 1.2768 0.6148 0.8764 1.0223 0.8769 0.4397 1.2928 1.2143 1.6454 1.1014 0.7206 1.3973 1.1761 0.7808 0.6572 1.0225 0.7940 0.4022 0.9958 0.9425 1.9942 0.6642 1.9597 1.0516 1.4186 1.1674 0.7754 0.4782 1.1863 1.3993 0.8853 0.8935 0.9252 0.2313 0.8401 0.5422 0.2125 2.1307 2.3860 0.8144 1.0718 0.6323 1.0816 0.6654 0.5728 1.0176 1.7731 0.6402 2.7868 1.4076 0.9885 1.3760 2.0736 1.0925 1.1512 1.6875 1.5127 1.4564 1.1991 1.4797 0.7886 1.0935 0.9632 1.2080 0.6807 1.3107 1.1307 1.5269 1.5525 1.4055 2.4365 1.2923 1.0497 docosapentaenoate (n6 DPA; 22:5n6) 0.6371 1.9047 2.3167 0.6017 2.4691 0.9632 0.5572 0.5473 0.5665 0.8506 2.3445 0.8005 1.8967 1.3135 1.3935 1.5022 0.2406 0.9340 0.7046 0.9333 0.8072 1.1625 1.3234 0.9342 1.2268 0.7659 0.8562 0.7373 0.8700 0.9811 0.7451 0.9986 0.9458 1.0502 0.7889 0.7646 1.7177 0.4227 1.1159 0.8612 0.3008 1.0432 1.1266 0.8986 0.7167 1.6180 0.8473 1.5810 0.2627 0.7966 0.9970 0.6621 1.0413 0.3740 1.0749 1.2075 2.2492 0.8486 0.7350 0.5483 1.0191 0.9116 0.9286 0.5918 0.9031 1.5485 1.4373 0.6949 0.6928 1.3268 1.2211 0.4917 1.0322 0.7985 0.7241 0.3844 1.3434 0.6994 1.3699 0.4557 1.4771 1.0690 1.0079 1.1479 1.1371 0.7109 1.7267 1.1460 1.1101 1.7952 1.0443 0.6704 1.8269 0.5395 0.3143 1.0226 1.7472 0.7275 1.5889 0.5427 1.0031 0.8855 0.7076 0.8120 1.2592 0.7781 1.4155 0.7944 1.2445 1.1772 1.3755 0.8670 1.0454 1.4061 0.9770 1.1404 0.8369 1.6305 1.1674 2.2845 1.2683 1.2733 1.0000 1.0758 0.8457 1.1244 1.2551 1.2959 1.2316 1.1916 1.4503 docosatrienoate (22:3n3) 0.9143 1.7026 2.5321 0.5472 1.2248 1.2559 0.5535 0.3644 0.7678 1.3671 2.5522 0.7049 1.8273 2.9904 1.4478 1.1001 0.4326 1.3405 0.6275 1.9953 0.7225 1.5780 2.6113 1.2317 2.2663 0.1951 1.0964 1.0233 0.5851 1.2803 0.9405 0.1951 1.4880 2.4631 0.9754 1.0355 1.1818 0.3208 1.4477 1.0230 0.4731 1.7381 0.7826 0.7976 0.9940 1.2414 0.7396 2.0884 0.3459 1.5832 0.9315 0.5378 1.0990 0.4581 0.5484 1.6187 0.1951 0.7310 1.0061 0.5659 0.1951 0.7517 0.9630 0.4412 1.0274 0.7135 1.0486 0.7505 0.5063 2.4889 0.6985 0.3489 0.1951 0.9454 0.7462 0.2206 1.4853 0.5080 0.9596 0.3583 1.7287 1.2269 1.2254 1.1689 0.5309 0.6220 0.4556 0.1951 0.9926 0.8124 0.4903 0.4649 0.6968 0.3124 0.1951 2.0575 3.1175 1.0696 0.8429 0.7319 1.3208 0.3662 0.5749 1.2992 0.6566 0.9576 1.4612 1.0759 2.0717 1.0000 1.2258 1.2251 0.6632 2.6798 0.7051 1.0339 0.6760 1.3568 1.1991 2.7722 0.6394 1.4461 0.8551 1.3080 0.6912 1.9640 1.6652 1.5052 1.3048 0.8884 1.2811 dodecadienoate (12:2)* 1.2014 1.5649 1.4738 0.9197 0.8566 0.4760 0.8402 1.5160 0.8070 1.3150 1.3975 0.8939 1.7310 0.9981 1.1025 1.2436 1.2773 0.6290 0.7720 1.2404 0.7599 1.3179 1.3508 1.0232 1.3339 0.6436 0.5444 1.1469 1.1520 0.8533 0.9017 0.6578 0.5846 2.3125 1.0378 1.4498 0.8877 0.7945 0.8021 1.2269 0.5235 1.0473 1.1243 1.1404 0.5595 1.0341 0.8820 1.3713 0.8875 0.9052 1.1905 0.6164 0.6369 0.7749 0.6798 1.2767 0.6525 0.9430 0.6670 1.5167 0.6080 0.9365 1.0585 1.2269 0.8782 0.6650 1.4648 1.2559 0.7178 1.2063 1.4426 1.5362 0.9750 0.6912 1.2190 0.5219 0.9381 1.0413 0.9581 0.5753 1.1261 1.4444 2.1182 0.8726 0.9201 0.9506 0.9208 1.2476 0.8717 0.4398 1.1067 1.0000 0.8747 1.3300 0.2693 1.3050 1.2842 0.6196 1.2805 1.0074 1.2355 0.4882 0.8485 0.6614 0.9504 1.3327 1.2054 1.2025 1.2177 1.3932 1.9461 0.9425 1.2823 1.3447 1.4020 1.6683 0.4812 1.2353 0.8721 0.8925 1.0469 0.7715 0.7561 1.1280 0.7353 2.3127 0.7848 0.8932 1.8012 0.8760 1.0786 dodecanedioate (C12-DC) 1.1231 1.2437 0.6051 0.6837 0.9285 4.7878 0.9618 1.1520 0.6293 0.9036 1.5251 0.7049 1.0690 1.8279 0.6706 1.3292 1.1816 0.5913 0.5615 1.2119 1.0000 0.8324 0.9394 1.2386 1.3510 0.8947 0.6299 1.1776 0.8543 0.5437 0.6967 1.0787 1.3879 0.9075 0.6451 1.3285 0.9420 0.5214 1.1178 1.9818 0.7059 1.2581 0.9500 0.8999 2.4852 0.7524 1.8393 3.8228 1.0120 0.8048 1.3078 0.7416 0.7507 1.1939 1.4528 1.2589 1.0273 1.4603 2.2384 1.1773 0.8689 0.8346 1.4349 1.5310 1.0129 1.0283 0.7932 1.9367 0.4727 0.9549 3.3887 3.6557 1.3933 1.0930 0.5554 0.6767 2.9327 0.9626 1.0616 0.6751 3.5276 1.1464 0.8713 2.2022 2.0905 0.8737 0.9498 3.2063 0.4831 1.0036 1.1089 0.3843 3.3895 0.6046 0.7296 1.9910 0.7855 3.3974 0.9937 0.6277 0.5742 1.0423 0.6852 1.7579 0.4257 0.5239 1.2955 0.7121 0.6756 1.0271 1.0116 0.9926 1.3488 1.4100 0.8767 0.9567 0.4014 0.6651 0.4631 0.9806 0.4515 1.8120 1.8337 1.2498 0.3635 2.1785 0.9590 1.0450 0.9554 1.1158 0.9387 dodecenedioate (C12:1-DC)* 1.2384 3.4007 0.8003 0.6801 1.0102 0.5953 1.1693 3.4294 0.5606 1.1385 2.3717 0.9097 1.9687 1.6382 0.5811 1.8112 0.9840 0.7846 0.3492 2.0498 0.5253 0.8160 1.6685 0.9745 2.4120 0.8549 0.9521 1.8788 1.1552 0.8040 1.2051 0.7286 0.6346 3.1673 1.0061 1.3980 0.7678 0.5649 0.9723 1.7075 0.7067 1.0668 1.9241 0.8770 1.0232 1.0959 0.9996 2.1628 1.0004 0.9331 0.7647 0.4174 0.4794 1.9268 0.5458 1.5011 0.3567 2.0117 1.3124 0.9159 0.5119 0.4487 2.3188 1.1779 0.9040 0.6749 2.2865 0.9575 0.2560 0.6816 2.5994 2.1228 0.8912 0.6708 0.6018 0.2560 1.9990 0.5325 0.8314 0.5311 1.2254 1.2008 1.3347 1.1664 1.1627 0.6698 1.2908 1.3149 0.3103 0.2560 1.3413 0.5208 1.0234 0.5109 0.8479 3.6581 1.0716 0.8893 2.1750 0.7412 0.6592 0.4772 0.3271 1.4554 0.5553 0.8339 3.0302 1.0188 0.9658 1.4737 1.3210 1.1841 0.8096 1.5791 2.5406 0.9312 0.4933 0.7349 0.9974 0.4667 0.4818 1.2726 1.7740 1.0859 0.2560 4.3192 1.3322 0.6453 1.9458 1.3055 1.5479 dopamine 3-O-sulfate 0.5709 0.4510 0.7264 1.0040 1.1575 1.9932 1.0116 1.2527 0.6077 1.0156 0.3900 0.6622 0.4332 0.7457 1.0371 0.5008 2.3393 0.5836 1.0980 0.8805 1.0710 0.5586 0.5011 15.7388 0.3870 0.9319 0.9358 0.4475 0.6993 5.7110 1.2942 1.7883 1.3645 0.4937 0.7135 1.2345 0.7987 0.5531 0.9824 0.4839 1.6464 1.4703 0.5090 0.9401 2.4120 0.7211 1.2900 1.5336 1.9619 0.7745 1.1730 2.1769 1.1420 0.5493 0.8185 0.8630 2.1967 1.0383 0.9304 1.0000 1.0048 1.4469 1.3194 0.7725 0.6779 0.6613 1.4984 1.0982 0.7304 1.8338 0.8193 0.8466 0.7747 1.3181 1.5778 1.5254 0.5758 1.3600 1.2583 1.2146 0.6642 1.4279 1.4177 1.3112 1.0581 1.5154 1.7595 0.7842 1.2525 1.0712 0.8845 1.2377 1.0965 1.0082 1.6766 0.6647 0.7897 1.1008 0.7633 1.0684 0.6029 3.3633 1.4325 1.0029 0.3194 3.1215 0.4328 0.4931 0.9847 1.2190 0.4575 0.6320 0.5756 0.9979 0.6028 4.8638 1.2789 0.4267 2.0699 1.0582 0.7615 0.9032 0.9930 0.9997 1.1220 1.0001 0.6919 0.8452 0.9995 0.6249 2.9151 ectoine 0.1435 0.1435 0.1435 0.5704 0.7480 1.3341 0.1435 2.4374 0.1435 0.7281 0.1435 0.1435 0.1435 0.1435 0.1435 0.4040 3.5681 0.1435 4.5550 0.1435 0.1435 0.1435 0.1435 0.5387 0.1435 0.6101 1.3798 0.1435 0.1435 0.1435 0.1435 0.9423 0.1435 0.1435 0.1435 0.6848 0.1435 1.6396 0.7652 0.1435 0.1435 0.1435 0.1435 0.1435 0.1435 0.1435 0.9942 1.6750 4.9321 0.5564 1.9202 0.1435 1.4536 2.0450 0.5417 0.1435 0.1435 0.1435 0.1435 0.1435 1.6646 2.4855 0.1435 0.9844 0.1435 1.9458 2.2759 0.1435 0.6187 0.1435 2.4141 1.2914 0.3552 0.1435 0.1435 1.3683 0.7753 0.1435 0.1435 0.1435 0.1435 3.2475 0.6462 0.1435 0.9413 0.5731 0.1435 1.0312 0.1435 1.1316 3.5669 0.1435 0.8402 0.1435 3.3611 0.8239 1.0000 2.9579 0.1435 0.7511 0.4721 1.2783 0.1435 0.1435 0.6557 0.4254 1.7483 0.1435 0.1435 1.1280 0.1435 0.4702 0.3418 0.1435 1.1553 0.3510 10.5873 1.9917 0.3351 0.9638 2.4830 0.2229 2.5127 8.4657 0.1435 1.1732 0.2941 0.9173 0.1435 0.1435 0.1435 EDTA 0.9336 0.7573 0.8069 1.3501 0.6585 0.6585 1.2790 1.2640 1.1305 1.2893 1.1452 1.0660 0.9088 1.3578 0.9073 0.9363 1.1531 1.1010 1.1591 1.2094 0.8600 0.9889 1.0091 1.6606 1.0741 1.1247 1.0940 0.9347 1.0043 0.9148 0.8919 0.8561 1.0145 0.7827 1.3827 1.1414 0.9176 1.2223 0.8682 0.6585 1.6268 1.1583 1.0449 1.1566 0.8191 0.9553 1.0916 0.8575 0.8344 0.9323 1.2094 0.8383 0.8227 0.7958 0.9901 1.0237 1.0256 1.0737 0.8665 1.0946 1.2310 1.2217 1.1103 1.1456 0.8698 0.9903 0.9647 0.8735 0.9198 1.1606 1.0007 1.3662 0.9025 0.9113 1.3414 1.0546 0.6585 0.8576 0.9452 0.7489 0.9565 0.9351 0.9693 0.7738 1.2021 1.0824 0.8468 0.9067 1.0604 0.8481 0.9722 1.2426 0.9684 1.1213 0.9987 0.9613 1.3041 0.9835 0.9524 1.1131 0.9958 0.9993 1.0868 0.9933 1.0165 1.4889 0.9878 0.9725 0.9928 1.6031 0.9845 1.1173 0.8733 1.2677 0.9334 0.9153 1.0934 1.1603 1.1065 1.1666 0.9629 0.9477 1.2817 1.3317 0.9239 1.1245 1.0884 1.0599 0.9186 1.1074 0.9778 eicosanedioate (C20-DC) 0.6139 0.5501 0.7546 1.5465 4.9553 1.0342 0.5619 1.9062 0.4680 2.2516 0.3308 2.0370 0.2816 1.2599 0.4405 0.4044 1.9049 0.3004 1.7291 1.7388 1.1024 0.3592 1.0825 1.9682 0.3665 1.1639 1.1960 0.6686 0.7164 0.2787 1.6447 1.8393 1.0500 0.3163 0.6297 0.7727 0.6388 1.7894 0.4764 0.3730 1.8681 0.5341 0.3595 0.4392 0.9637 0.2464 1.9130 4.2475 0.7995 0.3828 1.7639 1.0000 0.6566 0.7076 0.4236 1.4144 0.7339 0.8824 0.8636 1.1084 0.7858 1.1791 0.8817 2.0775 1.7443 1.8201 0.7975 2.3360 1.3454 1.0448 0.7760 1.8537 1.6355 1.4721 0.6066 1.8751 0.9880 1.9981 1.5756 1.5904 0.6105 1.0113 2.6820 1.6504 1.6932 5.1851 1.7931 2.3024 0.8184 0.6201 2.4082 2.5642 2.8469 1.2828 2.3801 1.1089 1.0979 0.4398 0.4459 0.8199 1.1389 1.1892 1.0082 0.6730 0.6547 3.8414 0.7224 0.7644 0.4855 1.0726 0.6918 1.4713 1.4231 0.8522 0.4745 1.7220 1.2216 0.8003 1.3923 0.9737 1.3883 0.6222 0.4120 0.7987 0.6594 1.1486 0.9203 0.3960 0.9073 0.3470 0.5451 eicosapentaenoate (EPA; 20:5n3) 0.8292 1.7647 3.9282 0.8856 1.0694 0.8623 0.8470 0.6577 1.3609 1.4683 1.3429 1.3759 2.2864 1.9461 1.5563 1.5886 0.3080 0.4559 0.4067 0.8708 0.5424 1.4254 0.6722 1.0000 1.4962 0.5980 0.5211 0.7152 0.5440 0.8534 0.7880 1.0941 1.0823 0.6011 0.6003 0.8164 2.7667 0.7297 0.4643 0.4974 0.7007 1.0464 0.6313 0.9805 1.0680 0.6119 0.8686 1.9253 0.3331 0.7005 0.8464 0.6362 0.5640 0.7164 0.9678 1.2776 0.9258 3.5374 1.6715 0.7947 0.9131 1.2557 1.2973 0.3190 1.5418 1.9427 1.9381 1.1454 0.8611 1.5758 1.0877 1.2219 0.6026 1.1044 1.2723 0.6713 1.1165 1.1789 3.5241 1.4095 3.6004 0.6945 0.9780 0.8598 0.6246 0.4626 2.8259 2.0323 1.7124 0.9692 1.3142 0.2588 0.9246 0.8762 0.8349 2.5200 1.7575 0.5895 0.9565 0.5194 0.9467 1.1997 0.6695 0.5740 4.1373 0.5254 5.4476 1.4094 0.7883 1.2331 3.7537 1.0655 1.3041 1.9525 3.3166 1.0817 1.6514 1.1630 1.0273 0.9638 1.1427 1.0073 0.9874 1.3007 1.1212 0.9295 1.4482 0.9416 2.9142 0.8912 1.0657 eicosenedioate (C20:1-DC)* 0.5868 0.3970 1.1749 1.4439 2.4707 1.1027 0.7431 1.8839 0.1949 2.4899 0.3368 2.9434 0.1675 0.9133 0.3971 0.2331 2.1251 0.4612 1.0000 1.7359 0.3712 1.1781 0.6334 1.4237 0.7212 0.8504 1.3403 1.1398 0.8356 0.6015 0.5722 1.4793 0.7019 0.5826 0.6085 1.1484 0.5783 1.6614 0.6260 1.0055 2.6910 0.6862 1.3264 1.3210 0.9633 0.2106 1.4209 1.3289 1.0986 0.3800 1.8251 1.1206 0.4543 0.3227 0.2498 1.4810 0.4293 1.1290 1.0330 0.1685 0.6882 0.9929 0.4965 2.9210 1.3562 0.7137 0.8563 1.5236 0.9358 1.3410 0.7149 0.9594 1.2493 1.1884 0.6932 1.4754 0.5290 1.4903 0.6018 1.7232 0.3652 1.5133 1.4737 1.9447 1.4577 1.3388 1.0749 1.7914 0.4831 0.9875 1.3170 1.4481 2.3987 1.0008 2.7249 1.4174 0.8428 0.1986 0.9559 0.5664 1.7431 1.8114 1.0943 0.4339 0.4126 2.4123 0.6678 1.0197 0.8535 1.6390 1.3733 1.9937 1.2838 1.3186 1.6902 1.8588 0.6922 0.4678 1.2425 0.6301 1.1603 0.3580 0.2902 0.9110 0.3268 0.7024 1.1507 0.2551 0.6696 0.1339 0.4396 eicosenoate (20:1) 1.2255 1.9692 1.3502 0.5770 0.9926 0.7645 1.2195 0.5743 0.6347 1.3639 2.3092 0.8048 1.8187 1.6144 1.3289 1.1196 0.2742 0.9420 0.7213 1.4979 0.6548 1.2814 1.2357 0.8040 2.4497 0.9358 0.7057 1.2005 0.7653 1.3936 1.1351 0.4509 1.1496 1.1369 0.7667 0.7009 0.5974 0.3470 0.6596 0.9757 0.3151 1.6900 0.6742 0.9607 0.7286 1.1505 0.7654 1.1514 0.3997 1.0000 0.6812 0.3400 0.7279 1.4580 0.5620 1.7311 0.4253 0.8324 1.3558 1.2653 0.7419 0.7361 0.7851 0.7297 1.1908 0.7940 0.6944 0.8061 0.5371 1.7430 1.1776 0.8590 1.3254 1.1650 0.8706 0.3268 2.9753 0.9761 2.1586 0.4450 1.6646 1.2965 1.4476 1.0602 0.6940 0.6521 1.0101 1.0931 1.0431 0.4038 0.5156 0.5037 0.7787 0.5702 0.1110 2.0757 2.8915 1.1472 1.1870 0.9403 1.1512 0.4629 0.5233 1.0619 1.0397 1.3855 1.7561 0.9623 1.2512 0.8367 0.9813 1.2927 0.8536 1.6017 1.3418 1.3661 0.9272 1.0910 0.8825 1.1971 0.8519 1.0831 0.9588 1.3963 1.0449 2.3941 1.6471 1.7550 1.3781 1.5578 1.3636 eicosenoylcarnitine (C20:1)* 1.0026 1.5882 1.2658 0.9876 1.0076 0.8933 1.1553 0.6728 0.5074 0.8891 1.4999 0.7930 1.3609 0.6541 0.5865 1.3228 0.5408 1.4943 1.5516 0.8412 0.4801 0.9181 0.8067 0.4948 1.2892 1.4523 1.6637 0.8246 0.8262 1.4087 0.8320 0.7654 0.7242 1.0366 1.0387 1.1884 0.8714 0.8410 0.6732 0.7261 0.4535 1.0823 1.2221 1.0177 0.7710 0.8707 1.2667 0.3803 0.4564 1.1664 1.0528 1.3875 0.2913 2.6987 1.3955 1.4788 0.6706 1.4743 0.9705 0.9309 1.1021 0.6714 0.9491 1.2379 1.0288 0.7815 1.1221 0.7548 0.7808 0.8247 0.8576 0.9215 0.9648 0.8667 0.6072 1.3847 1.5538 0.9013 1.4960 0.6506 2.0241 1.5588 1.6202 1.3240 1.1042 1.2843 1.8774 1.0000 0.7756 1.0434 0.9553 1.0186 0.9287 0.9377 0.4666 1.4014 1.6423 0.5680 1.3184 1.7146 1.2427 1.2463 0.8348 1.0257 1.0406 1.3750 1.7162 0.6951 1.8950 0.9732 0.8937 1.2273 1.1714 0.7770 1.1440 0.6629 0.7252 0.8706 0.8746 0.6909 0.6524 0.6234 1.2496 1.1861 0.7327 1.4887 1.0911 1.7215 1.7353 1.9158 0.4718 epiandrosterone sulfate 0.5931 0.9399 3.4178 1.3505 1.4722 0.0897 0.5207 1.3208 0.6894 0.6514 0.3310 0.3344 0.1594 0.6749 1.3184 0.6499 0.5458 0.1434 1.2970 0.5209 0.1812 1.1785 0.2214 0.7537 1.7092 1.0132 0.2530 0.4896 0.0849 3.3942 3.0770 1.4161 0.9468 2.1759 0.9947 1.0624 0.4368 0.8903 2.4223 0.9656 1.3286 0.4624 1.0028 2.1496 1.0287 0.5889 1.3462 0.7580 2.7181 0.9292 0.8327 0.2003 1.9636 2.2595 1.8537 0.7044 0.0550 0.5519 0.6653 0.5113 0.2008 0.6360 1.3927 3.3881 1.5584 1.3944 1.9214 1.4673 0.4511 1.8092 1.5037 1.0602 0.7004 1.5842 1.9048 2.3728 0.9337 2.8311 0.8508 1.0000 0.5138 0.8368 3.5833 3.1079 2.2947 2.6415 0.2974 0.4256 1.1128 0.5770 2.5181 2.0207 4.2308 1.9334 3.0182 1.0343 0.5947 0.6028 2.8494 0.9425 0.3822 1.1395 1.0983 1.5304 1.7494 1.1670 1.4000 1.1925 1.4728 2.5573 1.2960 0.5040 1.7662 0.8869 1.4525 0.1056 0.5916 0.8828 1.4935 0.3863 0.0483 0.4200 1.2981 0.4769 0.3828 1.6678 0.7848 0.1140 0.0733 0.8643 4.6615 ergothioneine 0.4013 0.2723 1.0691 0.6327 2.5709 0.1894 0.8688 1.5885 0.2029 1.5058 0.7106 0.4638 1.1264 1.2820 0.6623 3.1278 1.0426 0.6212 2.3022 1.1077 1.3503 0.6058 0.5633 0.1065 0.6358 3.2054 1.5945 0.8939 0.3844 2.3186 1.1274 0.3188 0.5239 0.5357 0.4779 0.4591 0.5224 0.6508 0.0780 0.3927 1.1027 0.5953 1.6449 1.6300 2.0196 0.8890 1.6850 1.2349 1.2591 0.2255 0.4372 0.7191 0.9520 0.3055 0.6170 1.3404 25.2478 0.5194 0.8180 1.6162 1.5758 1.0790 1.6298 1.1342 1.6205 0.1660 2.7495 0.6976 1.3419 0.6857 0.8018 0.9215 0.6300 0.4243 1.5404 1.5690 0.7163 0.3902 1.7843 0.3498 3.2661 0.4040 1.1334 0.2618 0.4810 1.0607 1.0847 3.2157 2.6875 0.6061 1.1223 0.4617 1.2353 3.2154 0.9541 1.1023 2.6876 1.5521 0.6049 0.3320 4.2869 1.8327 0.6398 0.4367 1.5225 0.6788 2.1014 1.8155 1.9788 1.1515 1.6634 2.1908 0.3601 1.4741 1.0000 1.5559 3.5250 1.6048 1.4071 0.7495 0.7191 0.4369 0.3331 3.1440 2.9124 2.6828 2.2319 0.8357 0.3607 0.3860 0.9908 erucate (22:1n9) 0.9902 1.9434 1.4685 0.4454 0.6565 1.0662 1.5470 0.9061 0.3732 2.3088 1.7960 1.4495 0.6014 0.8200 1.3994 0.8783 0.6435 1.1856 0.7302 1.4224 0.5049 0.7778 1.4299 1.4692 2.0572 0.7897 0.8103 0.6797 0.6827 0.8218 1.5380 0.9346 2.1033 1.0254 0.8379 1.2248 0.5860 0.6935 0.8652 0.5942 0.5292 1.5654 0.8165 1.0146 1.1469 0.9146 1.0000 1.7796 0.5721 0.8726 0.6130 0.6449 0.8221 2.1251 0.8486 1.8643 0.4395 1.1972 0.6318 3.8492 1.0714 0.9393 0.4510 0.8946 1.2483 0.6510 0.9589 1.2173 0.6723 2.5050 1.3649 0.6766 0.9699 1.1028 0.9461 0.5187 2.4552 0.6858 3.3301 0.6742 4.9183 1.0029 1.8561 0.8577 0.7997 1.1511 1.1097 1.5524 2.1488 0.8901 0.7432 0.8804 0.9093 0.6019 0.2773 1.2991 9.0943 1.1391 1.2067 1.4974 0.7563 0.9550 0.3768 1.1417 1.2742 0.9053 1.1982 0.6991 2.7260 0.7221 0.8079 1.5895 1.1926 1.9623 1.8916 0.8060 0.6907 1.3451 1.0123 0.9270 0.9681 1.3180 1.1552 1.9847 1.1403 1.9223 1.8829 1.4640 1.8872 1.4136 1.6952 erythritol 1.3397 34.4817 1.8125 16.8028 0.8664 2.1177 9.5323 1.0615 0.9281 1.7834 0.9620 1.0053 0.8720 1.0712 0.7990 1.0847 1.5731 0.6943 1.5306 1.1228 1.5397 12.9611 0.6110 1.1372 0.5908 0.8837 1.2792 0.8122 0.9234 1.0000 1.1898 1.3782 1.3660 1.1150 1.3605 4.7511 0.7685 0.9758 1.3755 0.6651 1.0510 1.3694 0.7973 0.7401 5.1305 0.6345 1.0316 1.3511 14.5255 3.9168 1.3385 0.9684 0.4450 0.6647 0.6926 0.7119 0.9851 0.7433 0.7343 0.8476 0.9111 1.4758 5.2312 0.7603 0.6292 0.8115 1.0013 0.7438 0.6472 0.7321 0.9309 0.8353 0.5136 0.5470 0.6892 0.7669 0.7800 0.7330 0.8707 24.3438 1.2346 5.9066 0.6706 1.2214 0.9267 0.7554 0.6405 0.8601 0.7057 0.9295 0.8892 0.8452 0.9030 1.4780 1.0260 0.9344 0.9209 1.0938 1.0167 1.3688 1.0876 0.8158 0.9474 0.8942 0.6911 1.0620 0.7847 1.0480 1.1900 1.7396 0.9647 1.0808 1.0687 1.1652 0.8183 1.3855 1.7040 1.4360 0.8626 0.8888 0.6171 1.0141 5.5676 1.0176 0.7899 1.0037 1.0476 1.0077 1.6017 15.9673 1.1015 erythronate* 1.3334 1.3134 1.5989 1.2724 0.9797 1.4354 0.9903 1.1062 0.8509 1.4716 1.0375 1.0185 1.0577 1.1058 1.0739 1.3140 1.5086 0.8371 1.4618 0.8532 1.2972 1.1609 1.0284 1.1244 0.7290 0.8670 1.2044 0.9698 0.8857 1.0501 1.4331 1.2541 1.2970 1.4353 1.7113 1.2063 0.8303 1.0605 1.4267 0.6701 1.0442 1.4118 0.8999 1.1305 1.8606 0.8729 0.9545 1.5256 2.7645 1.1126 1.1921 0.9056 0.5793 0.7976 0.8150 0.9234 0.8740 0.8870 0.8362 0.8206 1.0000 0.9684 0.8924 0.9885 0.7089 0.7803 0.8652 0.8131 0.6914 0.7233 0.8602 0.8027 0.8104 0.7211 0.7340 0.9264 0.8807 0.8305 0.9346 1.1582 0.8345 0.9890 0.9446 1.2354 0.8150 0.9018 0.9431 0.9063 0.9994 0.8784 0.9622 0.7143 0.9154 0.7357 0.8920 1.0918 0.9092 1.1529 1.1002 1.1611 0.9871 1.0117 0.8840 1.0208 1.0242 1.1176 0.8301 1.0046 1.2699 1.5035 1.1083 1.2986 1.1648 1.2081 0.7927 1.3778 1.6399 1.5905 0.8937 0.7414 0.6654 1.1222 0.9535 1.1763 0.8516 1.0512 1.1189 1.0813 1.2047 1.1131 1.0615 escitalopram 0.3809 0.3809 0.3809 0.3809 1.7365 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.8613 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.4835 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.7028 0.3809 1.8448 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 1.1087 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 4.7115 0.5800 0.5775 0.3809 0.3809 0.3809 0.3809 0.9721 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 1.2814 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.5762 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 4.5897 0.3809 0.3809 1.2848 0.3809 0.3809 0.3809 0.3809 1.0000 0.3809 0.3809 0.3809 0.3809 2.1396 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 0.3809 ethyl alpha-glucopyranoside 0.3478 0.1724 0.1509 0.4380 0.0680 0.2942 0.2517 0.9722 2.0382 0.5833 0.0680 0.3314 0.2811 0.3371 1.7175 0.4410 1.1607 0.1025 0.0680 3.9296 1.0469 0.1415 0.4287 0.0680 0.0680 0.2812 0.4452 0.0680 0.4262 0.0680 0.3888 1.0829 0.8138 0.1137 0.2279 0.2142 0.9214 0.5348 1.7138 0.0680 0.0680 0.4281 0.1606 1.0037 1.5388 1.6713 1.3669 0.4802 3.2197 0.1738 0.4312 1.5199 0.7505 0.4204 2.3719 2.5379 1.2006 1.4544 4.4304 7.1129 8.0613 8.3331 1.9309 2.2851 2.6374 0.8809 0.5772 1.3967 1.6418 1.2703 7.4819 1.5000 3.0078 0.7106 0.4759 1.7378 1.0171 0.8092 0.5627 0.4315 5.0632 1.0000 1.1040 5.6103 7.2759 0.7641 0.4292 0.3803 4.4896 0.8002 2.9318 2.4339 0.3981 1.1721 2.2603 0.6190 0.0680 0.6730 1.4008 1.7507 0.1800 1.1058 0.6215 0.8541 2.1200 2.9181 2.7719 2.0841 3.1922 5.1415 1.6319 0.2622 1.5039 2.2092 1.0292 2.0785 1.5744 0.1348 0.4576 0.5441 0.0680 0.6622 0.3233 1.1702 1.3547 0.5792 1.6464 0.9779 5.5744 0.3010 0.4911 ethylmalonate 1.1131 1.0913 0.8236 0.6184 0.6950 1.3234 1.0105 1.1575 0.6510 1.2785 0.8775 1.5203 1.0878 1.2592 1.2054 1.0367 1.3096 1.0000 0.9459 0.9869 0.9863 1.2664 0.8392 0.8114 0.5559 0.5705 1.1699 2.3417 1.2121 0.7956 0.7656 1.4104 1.4355 1.6374 1.0577 0.8547 0.6893 0.5715 1.9264 0.5944 1.0499 1.1196 0.8288 0.9708 1.8574 0.6819 0.7596 0.7045 1.4318 1.0813 1.7528 0.5957 0.6415 1.8068 0.5347 1.0637 0.6665 0.6303 2.7754 1.9439 1.1282 0.7928 0.6104 1.3470 2.0738 0.8451 0.6703 0.7546 0.8659 0.7415 0.6547 0.6403 0.8061 3.2852 0.6232 2.3168 1.2590 0.4494 1.7192 0.5631 1.0182 1.3571 0.8146 0.7986 0.9965 1.0429 1.4916 0.7158 0.6664 0.9400 2.5268 0.9030 1.1053 0.9337 0.8516 0.9555 1.3485 1.4457 0.7454 0.9434 0.5940 3.6827 0.8403 0.9295 2.4243 4.6883 1.1428 0.7326 1.0112 1.4040 1.0179 2.8561 1.3210 0.9383 0.7303 1.2717 3.7437 1.1537 0.9528 0.8078 0.4760 1.1010 0.7377 1.4155 1.1721 0.8421 1.2704 1.7135 5.0943 1.3955 0.8875 ethylparaben sulfate 0.6832 0.6779 0.2430 0.2430 0.2430 0.2430 0.2430 0.5402 3.2013 0.2430 0.5314 0.4568 0.2430 0.2430 0.2430 6.5957 0.4268 0.2430 0.2430 1.4354 0.3821 0.2430 0.6098 0.2430 0.2430 0.2430 0.6753 0.2430 0.2430 0.2430 0.2430 0.2430 15.4927 0.2430 0.2430 0.2430 0.4122 0.2430 0.2430 0.4846 0.8768 13.5901 0.2430 4.4621 0.6447 0.2430 1.0131 0.2430 0.2430 4.9485 0.2430 0.2430 1.0000 0.2430 0.2430 2.3661 3.9525 0.2430 0.2430 0.6700 6.2890 1.5002 3.4372 0.7416 0.5176 20.7018 0.2430 1.1600 0.2430 0.2430 10.0345 72.1751 0.2430 3.1186 18.1620 0.5462 0.2430 7.1995 9.3443 0.4447 1.7174 22.6228 0.2430 11.9479 0.6516 0.2430 0.2430 0.3083 33.5862 0.2430 6.8017 0.9947 8.6811 0.2430 0.4301 0.2430 0.2430 9.7601 0.2430 9.5433 0.4092 0.6669 0.2430 0.6571 0.2430 0.2430 0.2430 0.4888 0.3138 0.2430 0.2430 0.2430 0.7079 0.2430 0.2430 3.3556 0.2430 0.2430 0.2430 0.2430 0.7674 0.5518 0.2430 1.5466 0.8068 0.2430 3.6658 0.2430 0.2430 0.8355 1.0444 etiocholanolone glucuronide 0.8857 1.0755 3.8646 0.1530 1.9772 0.1565 0.3614 0.9627 1.1135 0.3163 0.6385 0.5444 0.6305 0.7555 3.1562 0.7246 0.2639 0.2543 2.1022 1.1313 0.5186 1.6474 0.1530 0.7005 2.6350 0.4364 0.1530 0.3474 0.1530 0.9422 1.0404 0.8648 0.1530 1.6313 1.0134 1.0166 1.0758 2.0731 0.8236 0.3386 0.1530 0.7712 0.8874 0.7743 2.5437 0.3981 1.9672 1.0367 3.5291 0.6655 1.4048 0.4033 2.0616 0.7680 3.0091 0.8539 0.1530 0.2957 1.1103 0.2708 0.5860 0.7723 1.6221 1.6688 1.5027 2.0070 1.5283 1.4393 0.1530 0.9703 1.6685 2.7077 0.5606 0.4447 0.7283 2.7425 0.6492 4.8516 0.8797 0.7999 0.4671 0.9801 3.4348 1.8337 1.6063 3.5508 0.4676 0.1530 1.4436 0.8107 1.0403 1.3602 3.0351 1.3554 1.7622 0.7453 0.9539 0.3729 1.2739 0.4756 0.4280 0.1530 1.0661 1.7264 1.0870 0.1530 0.9866 1.4018 0.6109 2.4607 0.8063 0.6096 1.6899 2.0010 1.4369 0.5598 2.4167 0.2973 0.6189 0.9622 0.2179 1.2239 1.7283 1.0712 1.4564 1.2236 0.8039 0.1530 0.2741 1.0969 3.3195 eugenol sulfate 0.3544 0.3615 0.1492 1.6677 0.3238 3.1720 1.0453 2.4146 0.5370 17.3084 1.7781 0.3490 1.2875 0.1492 1.5801 0.8387 2.6459 0.2149 0.5449 14.0847 0.7297 0.1492 0.1492 1.1840 0.1492 0.1492 5.5826 0.1492 0.1492 1.3996 0.8301 2.9573 17.4569 0.1492 0.1492 1.2245 0.1492 0.6056 0.1492 0.4840 0.5182 0.1492 1.1480 0.8619 0.2547 0.1492 0.1492 0.1492 11.0026 0.3187 0.1492 1.7525 1.2081 0.1492 1.0356 0.1492 4.0273 0.4497 0.9989 1.0011 1.4713 0.1492 3.9623 0.1492 0.4783 0.1492 1.4688 0.2247 0.7586 0.3274 7.8649 0.1492 0.1492 0.9434 0.1492 0.9108 0.1492 0.7071 3.4615 0.2943 0.1492 0.7739 0.5534 0.1492 0.1492 0.1492 0.3462 6.7644 0.2293 0.2764 1.4521 1.3227 0.1492 0.6881 7.9401 4.2452 1.2220 2.7255 0.3927 0.4970 0.4898 1.5275 0.5318 0.3559 0.4987 0.4658 0.4480 0.5866 4.6101 1.2427 0.2568 2.9601 0.5327 1.7648 1.5843 2.2812 1.9833 0.2533 0.1492 0.1492 0.5571 0.1492 1.2223 1.3662 2.2816 0.1492 1.0240 0.2251 0.1492 1.8068 0.4466 febuxostat 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 fexofenadine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 Fibrinopeptide A (2-15)** 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 Fibrinopeptide A (3-16)** 0.3522 0.3522 0.3522 0.3522 17.6536 1.3080 0.3522 0.3522 0.3522 0.6920 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 0.3522 Fibrinopeptide A (5-16)* 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 Fibrinopeptide A* 0.5774 0.1841 0.1841 0.1841 1.3441 13.4493 0.1841 0.3181 0.1841 5.6588 0.1841 2.7984 0.1841 1.0615 0.1841 0.1841 0.1841 0.2464 1.2633 0.1841 0.1841 3.1890 0.7981 0.6682 1.6116 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.8210 0.1841 0.1841 0.1841 5.1837 0.1841 0.1841 0.1841 2.4677 0.1841 0.7557 1.1551 0.1841 0.1841 0.7027 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.8367 0.9589 0.1841 0.6577 0.1841 0.1841 0.1841 1.1693 0.1841 0.1841 0.1841 1.2776 0.4312 2.0559 0.1841 0.1841 0.1841 0.1841 0.8917 0.1841 1.0411 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.4574 0.1841 1.5538 0.9045 0.1841 0.1841 1.4813 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.1841 0.3851 Fibrinopeptide A, des-ala(1)* 0.9591 0.3670 0.3670 0.3670 357.8964 41.6531 0.3670 0.3670 0.3670 41.5463 0.3670 1.4327 0.3670 1.0471 0.3670 0.5642 0.3670 0.3670 3.1208 0.3670 0.3670 2.9371 2.8314 2.1094 1.0000 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.4782 0.3670 0.3670 0.3670 3.6458 0.3670 0.7092 0.3670 2.4678 0.3670 0.3670 0.7218 0.3670 0.3670 0.4124 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.6753 0.6551 0.3670 2.3509 0.3670 0.3670 0.3670 0.7475 0.3670 0.3670 0.3670 7.0568 0.3670 1.8194 0.3670 0.3670 0.3670 0.3670 0.9296 0.3670 0.5975 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 5.8144 0.5502 1.0424 0.3670 0.6629 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.4445 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.3670 0.7994 Fibrinopeptide A, phosphono-ser(3)* 0.3101 0.3101 0.3101 0.3101 6.5628 9.5843 0.3101 0.3101 0.3101 4.9056 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.9436 0.3101 0.3101 1.0564 1.1043 0.8507 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 2.3207 0.3101 0.3101 0.3101 0.6665 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.4333 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.8705 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 0.3101 Fibrinopeptide B (1-11)** 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 Fibrinopeptide B (1-12)** 0.7057 0.7057 0.7057 0.7057 70.7755 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 1.4966 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 1.1072 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.9432 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 1.0116 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.9884 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 1.0482 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.9079 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.7057 0.8639 Fibrinopeptide B (1-13)** 1.8030 0.3356 0.4913 0.3356 369.4274 19.9376 0.3356 0.7080 0.4854 10.8263 0.3356 3.7217 0.3356 1.1626 0.3356 0.3356 0.3356 0.6941 0.6929 0.3356 0.3356 5.8107 1.8407 0.3356 3.6922 0.3356 0.3356 0.3356 0.3356 0.3356 0.3776 0.3356 0.3356 0.3356 0.3356 1.2426 0.3676 0.3356 0.3356 3.7094 0.3356 0.3356 0.7034 4.7499 0.3356 1.1116 2.1001 0.3356 0.3356 1.3784 0.3356 0.3356 0.4831 0.6074 0.4576 0.5865 1.4425 0.3356 1.0977 1.3599 0.3356 0.4816 0.3356 0.3356 0.3987 1.8786 0.3356 0.3446 0.3356 1.2108 0.5912 2.8350 0.3356 0.5136 0.3356 0.3356 2.1557 0.3356 2.4919 0.3356 0.3356 0.6026 0.6589 0.7145 0.3356 0.9023 0.5593 1.4936 1.2389 0.5039 0.3356 1.8070 0.5758 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3356 0.3824 flavin adenine dinucleotide (FAD) 1.0098 1.0079 1.4558 0.6321 0.6321 1.8322 0.8016 0.7678 0.9294 1.1319 0.8652 1.0319 0.9216 1.1018 1.1532 1.4521 1.0772 0.9727 0.6321 1.3277 1.0000 0.9789 1.3734 1.0754 0.9378 0.9159 0.6321 1.3373 1.1598 0.9804 1.1133 1.2637 1.4673 1.1291 0.6321 1.5673 0.6321 0.7679 0.9679 1.0360 0.7123 0.9675 0.9797 1.6867 0.9952 0.7588 1.0376 2.0969 1.1351 1.3738 1.0671 1.3383 0.7251 0.6830 1.2161 0.9492 1.1944 0.6321 1.0913 1.1069 0.8615 1.0677 1.2320 0.6321 0.8850 0.6321 1.1207 1.0365 0.6321 0.9486 0.7415 1.0227 0.6321 0.6321 1.0330 0.9302 0.8736 1.0050 0.9362 1.0067 1.0145 0.8321 0.8676 0.6321 0.8424 1.1035 0.6321 1.0423 1.2924 0.9156 0.6321 0.9682 1.4987 0.6321 0.6321 0.7950 0.9728 0.8525 0.6321 1.0783 0.6321 0.6321 0.6321 0.9913 0.6321 0.6912 0.6321 0.8654 1.1110 1.3476 0.9769 0.6321 0.6321 1.2599 0.6321 0.7993 0.8446 1.2354 0.6321 1.0398 0.6663 0.7930 0.7324 1.2061 0.8905 0.9434 0.8995 0.9104 0.7211 0.6767 0.8573 fluoxetine 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 0.1211 1.8789 0.1211 0.1211 formiminoglutamate 0.5652 0.7217 1.4334 1.8458 0.7402 0.8955 2.5746 1.7008 0.6944 1.6445 1.0000 0.9864 0.8365 0.4741 2.6318 0.5078 4.2827 1.2730 2.4158 0.3877 1.0672 0.8074 0.6284 0.7797 1.0288 0.4919 1.1931 1.2610 1.3138 1.3875 1.5490 0.7985 0.7240 1.0635 1.3561 2.0243 0.8662 1.4877 1.3246 1.1576 3.9036 1.0613 0.9496 2.0416 2.1502 1.7530 1.9275 1.3303 4.6278 1.1820 0.4892 1.0795 0.6849 0.6859 0.4102 0.7211 0.7010 0.3292 0.8641 0.2324 0.3615 0.2239 0.8590 0.6123 0.2522 0.4131 0.3450 0.3061 0.3411 0.9978 0.3441 0.3452 0.7209 0.3144 0.5169 0.9997 0.2712 0.3898 0.4780 0.2157 0.2802 0.3533 0.6122 0.5624 0.2726 0.5329 0.5632 0.6948 0.9076 0.7477 0.6588 1.5042 0.5907 0.3470 1.2212 1.2933 2.0928 1.6462 1.8207 1.4110 0.5549 2.4409 1.2783 0.7068 1.6564 1.5798 1.1217 1.9346 2.6608 1.2216 0.6931 1.7266 1.1167 1.5149 1.9059 1.4041 2.1386 3.2717 1.8089 1.6230 1.1029 0.5012 2.4017 1.7993 1.2208 1.6795 2.2202 1.3952 1.1848 0.9621 1.3248 fructose 0.9975 0.8980 1.5049 0.8151 4.4330 0.1440 1.1098 2.0679 0.7544 2.1801 0.8498 0.9260 1.0830 0.6650 1.2320 1.0414 1.4743 1.1801 0.9175 1.0209 0.9794 0.8544 0.8226 0.5573 1.1377 0.9477 1.0328 0.8478 0.9503 1.2198 1.2794 1.0804 0.9693 0.6253 1.2740 1.4791 1.0130 3.4350 1.3912 0.1270 0.5147 0.7164 2.4098 1.0141 1.9316 0.6517 0.9606 2.5852 1.0755 1.3667 1.4613 1.3284 0.7223 0.6971 0.8922 1.4841 0.4896 0.6930 1.0168 0.6483 0.6278 0.6901 0.7620 1.0232 0.9003 0.9508 1.1445 1.5737 0.7914 0.9149 0.7195 0.1885 0.6586 1.1185 0.4725 0.4933 0.8189 0.7491 1.0284 0.9899 1.0344 1.2312 0.7618 1.0347 0.6222 1.0890 1.0500 1.0000 1.1022 1.3294 1.1122 0.2860 1.2364 0.6153 0.8271 1.1037 1.8856 1.4731 1.0462 0.6408 0.6735 1.0342 0.8601 1.1432 1.0619 1.3431 1.2261 0.6944 1.4744 0.6229 1.2558 1.4837 1.0959 1.7808 1.0505 0.8776 1.2320 1.4476 0.8999 0.4963 1.1038 1.1684 0.8617 0.5764 0.7955 0.3798 0.9142 1.2513 0.7943 0.6853 0.7982 fructosyllysine 1.9796 0.7946 1.0550 1.1160 2.0919 0.3866 2.3387 1.9044 0.7827 3.2290 0.8179 0.7317 1.7858 0.5432 0.8380 1.9800 4.1724 1.8095 3.7787 1.9196 1.4560 1.6108 2.0448 1.0932 0.7839 1.6674 0.5542 1.8234 1.0120 0.6784 3.6420 1.4651 1.2330 1.2160 1.1287 1.5478 0.4785 1.0560 3.1652 0.2729 0.8185 0.9344 1.5725 1.3463 1.3934 1.3186 0.6932 4.4202 1.6993 2.1782 0.9245 1.8755 1.9906 0.9783 0.8038 1.0000 0.4256 0.4409 0.5642 0.3311 1.1211 1.2457 1.0705 1.3837 0.8711 0.6876 0.4588 1.1442 0.6464 0.8574 0.6954 0.6187 1.1238 0.6410 0.4028 0.8034 1.1015 0.5189 0.4320 0.7886 0.6901 1.2819 0.4489 0.4371 0.9080 0.7974 0.7896 0.4723 1.1238 0.5540 0.5308 0.3433 0.9675 0.4608 0.8062 0.4600 1.5006 1.6844 1.3700 1.3068 0.8242 1.3338 0.8448 1.0552 1.6877 0.7636 1.1872 1.0179 1.0424 0.5780 1.4418 2.9543 1.3395 3.2726 0.4627 0.8488 1.1964 2.5251 1.1361 0.5877 0.3682 2.6247 0.5054 0.9679 0.9879 0.4531 1.0336 0.6143 0.5998 0.8367 0.3977 fumarate 1.4873 1.0350 1.0772 0.9161 1.6619 1.1319 0.7123 1.0532 0.7553 1.0070 1.1330 0.9720 1.1249 0.6483 0.6743 1.2829 1.2160 1.0860 0.7630 1.1036 0.8578 0.9949 1.2378 1.2963 0.7665 0.9235 1.0884 0.9048 0.8260 1.1272 1.1393 0.7338 1.3155 0.8399 1.4966 1.2894 0.7408 1.0000 1.2511 1.0281 1.3462 1.5470 0.9478 0.8899 2.1777 1.0969 1.0643 1.1549 1.1851 1.1540 1.2283 0.9100 0.7274 1.1380 0.9237 0.7440 0.6310 0.8274 0.7102 0.9692 0.7787 0.8883 0.8397 0.6227 0.8694 0.8055 0.9153 0.8328 0.7375 0.8148 0.9466 0.8108 0.9066 0.9314 0.8534 0.9824 1.0596 0.8409 0.7506 0.9155 1.1759 1.2180 1.1162 1.0174 1.0961 1.0138 0.7935 1.0021 0.6898 0.6580 0.8823 0.8357 0.9466 1.0629 0.7622 1.4764 1.1609 0.6763 1.1671 1.4381 0.6898 1.6818 0.8624 1.0152 0.8507 1.3721 1.0922 1.0702 0.9163 1.3036 1.4511 1.0164 1.3212 1.0430 0.8207 1.1804 1.5655 1.4290 0.9554 0.8828 0.8045 0.9058 0.8652 1.2851 0.6224 1.5559 1.0188 1.1101 1.4663 1.1668 0.8739 gabapentin 0.2648 0.1567 0.1567 0.1567 0.1567 0.6313 0.1567 0.1567 0.7267 0.1567 0.1567 1.9575 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.7196 0.1567 0.1567 1.7747 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 1.3421 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 0.1567 1.2733 2.1147 0.1567 0.1567 0.1567 galactonate 0.1292 0.1834 2.1068 1.1839 0.1926 1.0000 0.5100 1.9943 1.1262 0.6113 2.7425 2.0626 0.7957 1.5420 1.3710 3.9612 1.3189 0.9152 2.4986 0.6667 3.8862 1.4701 0.1503 0.5772 1.5317 1.4437 0.1292 1.6306 1.2109 2.0853 0.7206 4.0369 0.1292 1.8360 0.1292 1.0083 1.6026 0.1292 0.4015 0.6599 0.1662 2.5957 1.3328 1.0303 3.3849 1.3358 3.1542 2.2121 6.8900 0.1718 0.1292 0.4176 0.2361 0.6663 0.4370 1.0985 1.2690 2.4086 0.7349 3.7864 0.9210 2.5613 0.8314 0.2876 0.1292 0.8302 1.8820 1.3400 1.2309 0.3721 1.5352 0.3998 0.2966 3.1776 1.0170 1.4246 0.2988 0.9530 1.0117 0.3046 2.3401 0.5119 0.3511 3.4379 1.8167 0.2789 0.2457 1.4196 1.8913 1.5054 1.4417 0.8795 1.8721 0.9072 0.4098 0.5370 1.1821 0.7412 0.6903 0.8367 1.5238 0.6416 1.5646 1.1187 0.9986 0.4092 0.4821 0.4272 1.6642 2.1590 0.2923 0.3797 1.9667 0.5036 0.8385 2.8553 0.6048 0.4015 0.6267 0.2169 0.1292 0.1292 2.0492 0.8867 0.3550 0.3159 0.3730 0.4671 0.6181 2.7591 0.9799 gamma-carboxyglutamate 1.0165 0.2339 1.6556 1.9772 0.2339 0.2339 0.8908 1.2055 0.5369 1.5195 0.4901 1.4622 1.3765 1.0437 0.2339 1.4009 1.4377 0.8023 1.5021 1.1794 1.3602 1.2104 0.8948 1.0241 0.8674 0.7391 1.3707 1.1141 0.7854 1.1943 1.3512 1.3231 1.5211 1.0986 1.5062 1.3500 0.8221 0.4018 1.4528 0.5341 0.8702 1.9444 1.1200 0.6082 2.0547 1.1496 0.9139 1.7355 1.8947 1.1345 1.3778 1.0027 0.6977 0.8668 0.7889 1.2959 0.5291 0.9798 1.0991 0.2339 0.8806 1.1530 0.9973 0.2339 0.2339 0.8253 0.9459 1.0557 0.5999 0.9273 0.6044 0.6439 1.1436 0.7110 0.6069 0.7976 0.9393 0.7542 1.0342 0.8602 0.8328 1.0032 0.6645 1.1413 0.9571 0.2339 0.9143 0.6830 1.1699 1.0218 0.5545 0.9725 0.7077 0.3176 0.8075 1.0303 0.6400 1.3383 0.8045 1.3592 0.2339 1.1010 0.7776 0.9205 0.5457 0.6286 0.5439 1.0643 0.8193 1.0818 0.9667 0.7037 1.2751 1.3973 0.6757 0.2339 1.6993 0.2339 0.2339 1.3158 0.7148 1.0706 0.2339 0.9463 0.7887 1.0615 0.2339 0.8095 2.2003 1.8741 1.8063 gamma-CEHC 1.7113 0.6319 0.7195 1.9149 0.9958 1.7384 0.7481 3.6800 2.0070 1.2908 0.9188 4.6589 0.6856 1.7282 1.7690 0.2736 1.4553 0.6082 0.9197 1.0246 0.5961 0.3880 1.9199 0.8705 0.6847 0.9731 0.5920 0.8892 0.6325 0.6313 1.7159 4.4360 1.3773 0.5402 1.1024 1.4733 1.9118 0.7179 2.0465 0.8608 1.1296 0.7127 0.7353 0.7986 0.8638 0.6358 2.3250 3.3553 4.6858 1.2118 3.0440 0.7209 0.2092 0.2511 1.0178 0.7905 0.8933 1.2232 0.4429 1.1243 1.1240 0.7519 1.1473 2.4405 0.9675 2.6558 0.8305 3.1848 0.6049 0.3386 0.9606 1.5727 0.9333 1.0281 1.0235 0.6495 0.7808 1.8759 0.6367 1.4353 0.4794 1.2854 0.9473 1.8013 1.9224 2.1318 0.8901 1.3467 0.6067 2.7416 2.4074 1.3896 1.6412 0.8751 3.4257 1.3849 0.4846 1.7239 0.5727 0.7773 5.1157 1.0736 0.7065 1.0826 0.6149 1.2020 0.8619 2.1596 0.5240 1.5060 0.8729 1.0000 0.9636 0.8799 0.4450 1.5440 2.0282 0.8297 0.7848 0.9276 1.2987 1.2035 1.9161 0.8833 0.6208 0.4821 0.4383 1.5372 1.9360 1.1751 1.6871 gamma-CEHC glucuronide* 2.3447 0.3854 0.6932 1.5584 0.4785 3.0662 0.3854 3.9420 1.3493 0.7739 0.4573 3.7226 0.3854 0.9397 1.2622 0.3854 1.1831 0.3854 1.0482 0.6761 0.3854 0.3854 0.8775 1.3678 0.4244 0.3854 0.3854 0.4838 0.3854 0.3854 2.1742 3.5305 2.3899 0.3854 0.9668 1.3011 1.0000 0.3854 1.8290 0.3854 0.7680 0.7659 0.3854 0.3854 1.1173 0.3854 2.0835 3.6846 10.3720 1.0056 2.8531 0.4799 0.3854 0.3854 0.8984 0.4286 0.3854 0.4983 0.3854 0.5604 0.3854 0.4202 0.8012 1.2012 0.3854 1.2286 0.3854 1.2265 0.3854 0.3854 0.3854 0.9820 0.6850 0.3854 0.3854 0.3854 0.6864 1.0210 0.3854 0.9561 0.3854 0.6990 0.6449 0.8357 0.9772 1.1577 0.6920 0.9325 0.3854 1.7149 0.9621 1.0034 0.7933 0.3854 1.4219 1.1307 0.3854 1.1228 0.4578 0.3854 2.7806 1.6156 0.6987 0.3854 0.3854 0.6171 0.3854 1.7335 0.3854 1.0163 0.3854 0.6970 0.3854 0.3854 0.3854 1.9761 3.1299 0.3854 0.3854 1.1332 0.7579 0.9309 1.6929 0.8726 0.3854 0.3854 0.3854 0.8569 2.0318 0.5907 1.6921 gamma-glutamyl-2-aminobutyrate 0.3738 1.1207 1.2124 0.1938 0.8921 0.2195 0.1938 0.8908 0.1938 0.8042 1.5982 0.1938 2.3315 0.5357 0.6805 1.5591 1.4268 2.4647 0.6284 0.1938 0.1938 3.0557 1.3263 0.1938 1.8595 1.1349 0.1938 1.8425 1.6931 0.6644 0.1938 0.1938 0.1938 2.2503 1.8277 1.4124 0.8657 0.6942 1.1080 1.5029 0.4832 1.3068 1.6263 2.1597 0.3511 3.4306 0.7911 1.3150 1.2636 0.8289 0.4325 0.6057 0.5062 0.3951 0.4771 0.8369 0.1938 0.8421 1.2203 0.1938 1.0989 0.4755 0.8611 0.1938 1.1067 0.1938 0.7904 0.4910 0.3745 0.5770 0.1938 0.1938 1.4389 0.8871 0.7771 0.8305 1.5050 0.4044 0.4627 0.1938 1.0436 1.9755 0.9644 0.6447 0.6650 0.1938 0.9985 0.5643 0.1938 0.5366 0.7682 0.1938 0.6152 0.3782 1.1484 1.0379 1.5639 1.3379 0.9492 1.2701 0.1938 0.6650 0.6214 0.1938 0.6417 0.1938 2.9731 1.0975 1.3985 1.4364 1.3322 0.1938 1.4546 1.4476 1.4164 0.1938 0.1938 0.1938 2.2362 1.1976 0.5546 0.8684 1.1333 1.6299 0.6450 1.0038 0.4734 0.5948 1.5451 1.1725 1.0015 gamma-glutamyl-alpha-lysine 1.0724 1.0000 0.8851 0.9102 1.0996 1.0130 0.8586 0.9958 0.9900 1.1374 1.1555 0.6531 1.0312 1.1719 0.7582 0.8893 1.6024 1.1990 1.0881 1.0631 0.7118 1.0333 0.8821 0.8411 0.6354 0.9854 1.0061 0.6758 0.9376 1.2342 1.1640 1.0419 1.0670 1.0924 1.1202 0.7739 1.0697 1.0522 1.1871 0.9390 1.1042 1.0952 1.1124 1.0479 1.2924 1.2419 1.3935 0.9345 0.8817 0.8414 1.1018 0.7043 0.5320 0.5109 0.7600 1.1761 1.1686 0.7551 0.8058 0.7708 0.9973 1.1280 0.9275 0.7480 0.8908 0.9674 0.8317 0.5324 0.9692 0.7571 0.7294 0.9230 0.6292 0.7353 0.8453 0.9221 0.5052 0.6877 0.9668 0.6485 0.6885 0.8399 0.9058 0.8931 0.7182 0.9791 1.1652 1.1224 0.7756 0.9782 1.1201 0.8212 1.0102 0.7464 1.3085 1.2097 1.0104 1.0526 0.9891 1.0501 1.1665 1.4746 0.9123 0.9064 1.2528 1.1352 0.8654 1.2901 1.1776 1.2723 0.9586 1.1292 1.1780 1.1100 1.0820 1.1396 1.0362 1.0144 1.2988 1.2437 0.5468 1.1972 0.8009 1.0019 0.9086 1.1579 1.1456 1.0318 1.2174 1.1266 0.8671 gamma-glutamyl-epsilon-lysine 1.1497 0.8797 0.9221 1.0011 1.4358 0.5352 0.8195 0.9390 0.8356 0.7821 1.1090 0.8845 1.0654 1.5013 0.7635 1.3349 1.7369 0.9144 0.5352 1.2211 0.7775 1.0105 0.9989 0.5352 0.7874 1.2913 1.2144 1.0221 0.8193 0.9405 0.5352 0.5352 0.5352 1.0683 0.9477 0.5352 1.0413 1.1762 1.2960 0.5352 1.0136 1.1198 1.4397 1.0275 0.5352 1.3875 1.3440 0.8707 0.9770 0.7571 0.9979 0.8696 0.9510 0.6416 0.7442 0.5352 0.8666 0.7862 0.6685 0.5352 0.7409 1.2158 0.9028 0.9334 1.2823 1.2897 1.0626 0.7064 1.2408 0.7269 0.7397 0.9883 0.7729 1.0938 1.0433 0.9202 1.1072 0.9789 1.1425 0.5689 0.7779 1.0763 0.5352 1.3618 0.7443 0.5352 0.8775 1.2876 0.7840 1.0995 1.0275 0.5352 0.9231 0.8089 1.5042 1.3440 1.1100 1.1905 0.9145 1.0117 0.5352 1.1100 0.7228 0.9335 1.1607 0.8118 1.0466 1.7210 0.9779 1.2717 0.9339 0.5352 1.1491 1.1549 0.5352 0.5352 1.2502 0.5352 1.3438 1.2619 0.7073 0.5352 0.6357 1.0057 0.8781 1.0854 0.5352 0.8396 1.4879 0.5352 0.6891 gamma-glutamylcitrulline* 0.8871 0.7407 0.4314 1.4213 1.3788 0.7176 0.9487 0.7064 0.4239 1.2497 1.1843 0.5789 0.6565 0.8093 0.5726 1.0091 0.8814 0.7507 1.2717 1.0836 0.2406 0.4968 0.4410 0.2044 0.2792 0.7716 1.4393 0.7805 1.0502 0.4945 0.6024 0.6744 0.2150 0.4157 0.3112 0.7193 0.8514 0.9426 0.4793 0.6403 0.5570 0.9085 0.0963 0.6747 0.0963 0.6599 1.5141 0.2866 0.6253 0.2935 1.1263 0.5964 0.6031 1.4677 1.1580 1.8445 0.6726 1.6294 0.9566 0.8726 0.9598 1.3007 1.3480 0.9504 1.0954 1.0049 1.4437 1.2657 0.9052 1.2063 1.0998 1.3293 0.9951 0.7931 1.2478 1.4122 0.5059 1.0473 2.0724 1.4403 1.1672 1.4802 1.5428 2.0243 1.9460 1.4903 1.0256 1.1910 1.0506 0.8399 1.4135 1.2150 1.1751 1.3938 1.7457 1.8893 0.6956 0.5195 1.3779 1.3250 0.9811 0.5539 1.5207 1.7360 0.9732 0.5577 1.1041 1.2498 0.9097 1.4146 1.2210 0.9835 1.7160 1.1228 1.7588 1.8845 0.9441 1.2486 1.4481 0.9849 0.8160 0.3282 2.2658 1.5189 0.8780 1.5287 0.8050 1.6162 1.6836 1.2007 1.5464 gamma-glutamylglutamate 0.9175 0.8480 1.1450 1.5984 0.7523 1.4144 1.6056 1.8417 0.8735 1.3179 1.1906 0.7526 0.8224 1.0584 1.2795 1.2388 1.3513 1.7649 0.6676 1.1428 0.4503 1.2093 0.8098 0.9746 0.5339 1.1615 0.7181 1.0668 0.9991 1.7371 1.7786 1.1871 1.1441 0.8603 0.6838 1.1653 1.0193 0.9424 1.2263 0.7880 1.0337 1.1779 1.1357 1.2268 1.5401 1.2063 2.0135 0.7431 0.8478 1.0225 0.9515 0.8387 0.2587 0.5032 0.6221 0.9511 0.2587 1.2996 1.5911 0.7282 1.0000 0.7298 0.8496 0.5801 0.6173 0.6494 0.7104 0.6637 0.5139 0.4705 0.5531 0.9668 0.4178 0.4461 0.8366 0.6533 0.2587 0.3053 0.8945 0.7363 0.6049 0.4369 0.8963 0.5667 0.3701 0.5932 0.8999 0.8864 0.6768 0.7649 0.6142 0.6434 0.6501 0.4693 0.5310 1.2488 1.5097 1.0834 1.9825 1.6942 1.6499 1.3862 1.0301 0.9592 1.6956 1.8724 0.6610 1.2507 2.5928 1.7962 1.0007 1.5646 1.2457 1.5651 1.0517 0.8975 1.1055 1.4845 1.3119 1.1496 0.6859 1.3751 1.7711 1.5360 1.2189 1.5465 1.3365 1.3651 1.1281 0.8728 1.4225 gamma-glutamylglutamine 1.4600 1.1525 0.4393 0.8863 1.3745 0.7475 1.0076 0.8606 0.6965 0.8583 1.1695 0.6615 0.9775 1.1338 0.5250 0.9669 0.8299 0.9849 0.7481 1.2051 0.4986 0.7393 0.7972 0.7972 0.4908 1.2437 0.9995 0.7837 0.7395 0.7691 0.4783 0.7682 0.4767 0.6245 0.7119 0.5531 1.0845 1.3411 0.7657 0.6874 0.7511 0.8163 0.9562 1.0468 0.5560 1.0226 1.0166 0.5852 0.6892 0.5862 1.2704 0.6554 0.8086 1.0460 1.2264 1.2867 0.8321 0.9263 0.7117 0.8753 1.1940 1.8025 1.2845 1.1165 1.0528 0.9897 1.3410 1.2319 1.0955 1.2537 1.0630 1.3485 0.6877 1.2105 1.2237 1.2525 0.8234 1.0207 1.3559 0.9488 1.1666 1.1268 1.3607 1.1251 1.1738 1.2697 0.9077 1.2467 0.8512 0.8103 1.3997 0.8451 1.1822 1.4436 1.1926 1.3025 0.7603 1.0381 1.4553 1.2945 1.1133 1.0153 1.0060 1.0000 1.0696 1.0353 0.9604 1.1549 0.9116 1.2580 1.1699 1.0224 1.2954 0.9002 1.2562 0.8447 0.6564 0.8811 1.0728 0.9802 0.7633 0.9497 1.3585 1.1256 0.8274 1.2550 0.7405 1.1636 1.1789 0.9337 0.9355 gamma-glutamylglycine 1.3851 1.2706 0.5333 0.8237 0.9465 1.2973 0.7090 0.7965 0.7541 1.2030 0.9338 0.7978 1.0773 1.5442 0.6312 1.4484 1.1270 0.9105 1.1967 1.4195 0.5219 0.7073 0.5499 0.9331 0.5609 1.0271 1.2270 0.7875 0.5819 0.7244 0.6198 1.8110 0.8672 0.8718 0.7139 0.5453 0.6894 0.8425 0.8013 0.7587 1.2843 0.9861 1.1414 0.7101 0.6116 0.6977 2.1595 0.8731 1.5020 0.7406 1.5442 0.7640 0.6351 1.5015 1.2023 1.5878 2.7789 2.2548 1.5874 1.9264 1.1432 2.1393 1.3567 0.8828 1.2991 0.9830 1.0974 2.2123 1.2176 0.8949 1.1027 1.6017 0.5913 1.6835 1.3196 1.1283 0.9396 1.5364 1.6563 1.9079 0.8761 2.0139 1.8351 1.9086 1.1768 1.2677 2.1487 1.0837 0.7506 1.8089 1.8029 0.7876 1.1101 1.1555 1.0448 1.0756 0.5912 0.8624 1.0455 0.9129 1.2685 1.1978 1.0012 1.1840 0.9847 0.6977 0.6977 0.9253 0.8845 1.3003 1.1489 0.6585 1.1658 0.6633 1.0004 1.0678 0.7819 0.5375 0.9240 0.4805 0.9469 0.9594 1.0000 0.8745 0.7416 1.1657 0.7501 0.9403 1.4922 0.8530 0.5792 gamma-glutamylhistidine 1.1163 0.7160 0.5985 1.0369 1.2026 0.6918 0.9910 0.6627 0.9144 1.4676 0.8818 1.3221 1.0821 1.4984 1.2463 1.3141 1.9404 0.8239 0.4220 0.8124 1.0125 1.0000 1.0801 0.4889 0.5924 0.7976 1.5562 0.9800 0.8617 0.5481 0.5057 0.6291 0.3958 0.8049 1.2094 0.4339 1.3147 1.4262 1.4466 0.3803 1.5645 1.0011 1.0785 1.0460 0.5914 1.0408 0.9039 0.8700 1.6422 0.9270 1.7784 1.2294 1.1103 0.7669 0.9463 1.1032 0.9225 0.7981 0.8238 0.5449 0.7633 1.2548 1.4975 1.2808 0.9507 1.0100 0.7913 1.1879 1.1586 0.9063 1.0409 1.5529 0.5203 1.1799 1.2086 1.0817 0.8330 1.2143 0.8585 0.7597 1.2004 0.9533 0.7734 1.3015 0.7414 0.5279 0.9550 1.1377 1.3139 1.1614 1.2250 0.6144 1.3501 1.1040 1.5791 1.2168 1.0206 1.3062 1.0006 0.9318 0.5767 1.0697 0.9482 1.1839 0.9651 0.4624 1.0090 1.7628 0.7167 1.1789 1.4885 0.3839 1.5338 1.1518 0.6999 0.7683 0.7924 0.5631 1.2206 1.2310 0.8856 0.5353 0.8963 0.7671 1.0895 1.4195 0.4477 0.8055 1.1744 0.6306 0.7240 gamma-glutamylisoleucine* 1.1078 1.2026 1.0387 1.2997 0.8083 0.8308 1.3405 1.4899 0.8495 1.5497 1.2479 0.7324 0.9960 0.9544 1.2675 1.5468 2.6541 1.2921 1.7675 1.0047 0.8314 1.1365 0.6945 0.9332 0.7822 1.0000 1.4754 0.9906 1.2445 1.0870 1.4897 1.0837 1.2422 1.4700 1.5375 1.2046 0.7235 1.8530 1.5394 0.9237 1.2876 1.4131 1.2488 1.1960 2.4669 1.1302 1.2665 1.8168 2.1747 1.1838 1.0898 1.3716 0.2548 0.5410 0.5697 0.6788 0.5679 0.6986 0.7730 0.4815 0.6986 0.6977 0.7297 0.6377 0.5811 0.4552 0.6820 0.6384 0.7060 0.3809 0.5082 0.5267 0.4827 0.6518 0.3611 1.0420 0.3987 0.5218 0.3014 0.4644 0.5701 0.9506 1.3671 0.6588 0.7853 0.6481 1.6077 0.7675 0.5437 0.7957 0.8088 0.5112 0.8333 0.3422 1.0469 0.9443 1.0673 1.2877 1.6886 1.0178 0.8808 1.5341 0.8871 0.9645 0.9908 1.2490 0.9145 1.0530 1.3160 1.0622 0.8429 1.0329 1.0160 1.1569 1.1380 1.0342 1.2737 1.2975 1.3247 0.8862 0.7781 1.1513 1.3317 1.4751 0.9471 1.3203 0.8869 1.0693 0.9379 0.9993 1.0007 gamma-glutamylleucine 0.9347 1.1925 0.9834 1.2017 1.0754 0.7150 1.3208 1.3999 0.8229 1.6142 1.2495 0.9508 0.8364 0.9603 1.1294 1.4111 2.4565 1.3615 1.0996 0.9109 0.7465 1.1640 0.6851 0.8036 0.8310 0.9271 1.2861 0.9057 1.2243 1.0868 1.5066 0.9581 1.1945 1.4436 1.4056 1.1328 0.8884 1.4292 1.2575 1.0424 1.4093 1.0911 1.2971 1.3151 1.7766 1.5061 1.0792 1.2754 1.3416 1.0070 0.7714 1.1620 0.4576 0.5428 0.7838 0.8261 0.6456 0.6458 0.8242 0.4155 0.8013 0.7579 1.1679 0.7274 0.6109 0.6243 0.7862 0.6609 0.7553 0.4448 0.6011 0.7206 0.4550 0.6807 0.6718 1.0978 0.4643 0.6706 0.6483 0.5878 0.6158 0.8042 1.2061 0.5510 0.7391 0.8478 1.0000 0.9191 0.6563 0.8226 0.7899 0.5056 0.7993 0.5991 1.0899 1.0971 1.3228 1.3943 1.6289 1.1551 1.0192 1.8400 0.8369 0.8844 1.3456 0.9961 0.9816 1.1681 1.3589 1.2365 1.0551 0.9974 0.9924 1.2151 1.5095 0.7524 1.0658 1.1561 1.2155 0.9447 0.7902 1.0565 1.2919 1.3815 1.1200 1.3809 1.0278 1.0715 1.0924 1.2685 0.9691 gamma-glutamylmethionine 1.0462 1.2145 0.6812 0.9597 1.5695 0.7132 0.9919 0.9703 1.0021 1.1641 1.0906 0.7877 1.0009 0.9611 0.6739 0.8919 2.0421 1.1335 0.9343 0.9770 0.6044 0.9833 0.7531 0.6257 0.7244 0.9365 1.0835 0.6219 0.8214 0.9963 0.9096 0.7667 0.6141 0.7687 0.6943 0.7438 0.8231 1.1797 1.0698 0.8195 1.2811 0.8501 1.0572 1.4151 0.8374 1.1912 1.1932 0.7663 0.9464 0.6812 1.2126 0.9825 0.8442 0.7095 1.2771 0.9520 1.0677 0.9341 0.5492 0.9339 0.8308 1.3023 1.0008 0.9711 1.0299 0.9163 1.0073 0.8669 1.2844 1.0279 1.0000 0.8365 0.5589 1.2209 0.9859 1.0500 0.7177 0.8398 0.7515 0.7196 0.9782 1.0599 1.1286 0.6944 1.1117 1.2315 1.1934 1.2588 0.7954 0.8071 1.2488 0.8904 0.9238 0.9292 1.8574 1.2756 1.0839 1.0611 1.4144 1.0773 1.2058 2.3561 1.0429 1.1000 1.5707 1.0862 0.7940 1.3278 1.2713 1.3066 1.3689 1.1076 1.3627 1.0761 1.6230 1.4448 0.9859 1.1149 1.3085 1.0588 0.8433 1.0757 1.3136 1.2695 0.9794 1.2400 0.9332 1.2407 1.1878 0.9049 0.9664 gamma-glutamylphenylalanine 1.1262 0.9804 0.9353 1.2347 0.6564 1.0229 1.5319 1.2071 0.7315 1.6412 1.4183 1.1320 1.1399 0.8474 1.1749 0.9804 2.0751 1.0272 1.4024 1.4362 0.7688 0.8707 0.6478 0.7379 0.7311 0.9962 1.2207 0.8063 0.9262 0.9043 1.4225 1.0000 0.8487 0.9052 1.3882 1.1165 0.6759 1.3805 1.3893 0.8143 1.6346 1.1122 1.2306 1.0229 1.6520 1.0330 1.5395 0.9460 2.2828 1.0054 1.0916 1.0759 0.5720 0.6094 0.6450 0.8398 0.9120 0.5638 0.5048 0.5951 0.7457 1.1447 1.1107 0.7959 0.7496 0.5905 0.8278 1.0034 0.3708 0.6219 0.7075 0.5429 0.3708 0.6959 0.6989 0.9655 0.6530 0.7735 0.4626 0.8329 0.5897 0.9310 1.0175 0.7637 0.8648 0.7097 0.6172 0.9547 0.6740 0.9973 0.8374 0.5056 0.9330 0.3708 1.0540 1.3929 0.7039 1.2351 1.9396 1.3669 1.0209 2.0428 1.0743 1.3280 1.4919 0.5310 0.7986 1.4530 1.5076 1.6954 1.0532 1.0684 0.9903 1.3021 1.0677 1.2611 1.5237 1.5007 1.2998 0.6581 0.6397 0.6466 1.6022 1.4411 1.0063 1.6097 1.2200 1.1798 1.5172 0.8228 1.2241 gamma-glutamylthreonine 1.0547 1.0474 0.6256 1.2501 0.8569 0.6473 1.0413 0.8653 1.0926 1.3721 1.1833 0.8179 0.7606 1.1217 1.1277 0.7803 1.7394 1.0730 0.9902 0.8950 0.6276 1.0726 0.6932 0.8241 0.8642 1.1995 1.1917 0.8470 1.1330 1.0701 0.8298 0.9658 0.9755 1.0678 1.3950 0.6962 0.9378 1.1616 1.1064 0.8687 1.1672 1.1869 1.0560 0.8063 1.0967 1.0787 1.8764 0.6173 1.9467 0.7138 1.0093 1.0105 0.8596 0.6894 0.9319 1.1645 1.4761 0.9851 0.7865 1.0303 1.0172 1.0978 0.8740 0.5726 1.2529 0.7184 1.1642 0.6215 0.9474 1.7002 1.1218 1.0732 0.6175 1.1343 0.6232 0.9709 0.5146 0.6671 1.3795 0.7762 0.8401 0.9575 1.1907 0.8808 0.7368 0.9125 1.0423 1.1250 0.9405 1.0646 1.4639 1.1650 1.0506 0.6451 1.3472 0.9037 0.6483 1.1147 1.3020 0.9743 0.9613 1.5106 1.1048 0.8515 0.9134 0.6500 0.6531 1.1498 1.0488 1.1140 0.6741 0.9210 1.0318 0.8200 1.2706 1.2836 1.0000 0.6683 1.1283 1.3833 0.7715 0.8741 1.6352 0.9524 0.8281 1.2499 0.8231 1.4312 1.2844 0.7027 0.9932 gamma-glutamyltryptophan 0.8222 1.1933 0.6526 0.9039 0.8485 1.0157 1.0850 0.8216 1.2084 1.3991 1.4073 1.2297 0.9971 0.9623 0.7957 1.0291 2.0941 1.0718 0.8661 1.3910 0.6526 1.0000 1.0545 0.7031 1.0046 1.0646 1.0836 0.8197 0.9794 1.0171 1.0194 1.0098 0.7298 1.1381 0.7458 0.8127 0.7215 1.2442 1.2364 0.6526 0.9666 0.9904 1.2866 1.4097 0.6526 0.8606 1.0748 0.8283 0.6526 1.0329 0.8056 0.6526 0.6526 0.6526 0.6526 0.9729 0.7613 0.6526 0.9559 0.6526 0.9022 0.9787 0.6526 0.6526 1.0194 0.6526 0.7744 1.0943 0.7630 0.9335 0.6526 0.8048 0.6526 0.7871 0.7213 0.8395 0.6526 0.7432 0.6526 0.6921 1.0837 0.7110 0.9510 1.1118 1.0408 0.8479 0.7305 0.9768 1.0278 0.6953 0.7408 0.7640 0.9133 0.6713 0.9688 1.2383 1.1691 1.1520 1.2296 1.0919 0.9791 1.3228 0.6732 1.0753 0.9016 0.6526 1.0636 1.2925 1.2888 1.4972 1.2805 0.9775 1.3166 1.2927 1.2400 1.3277 1.2027 1.2727 0.9203 1.1984 0.6790 0.9024 1.2803 1.2570 0.9801 1.2157 0.9678 1.3757 1.3979 0.8770 1.1466 gamma-glutamyltyrosine 1.0266 0.3805 0.1865 0.1865 0.1865 0.8330 1.1308 1.0287 1.2994 1.9415 0.8297 1.1683 1.0942 1.1727 0.1865 1.0318 0.5394 0.7619 1.0463 1.5973 0.7580 1.1359 0.9176 0.1865 0.3451 1.2408 1.0584 0.6822 0.1865 0.5381 0.1865 1.2473 0.7568 0.7642 1.4400 0.5672 0.1865 1.0185 1.0442 0.4939 2.0931 0.9845 1.2835 1.8400 1.4017 0.4007 0.1865 0.5855 0.8738 0.7136 1.1450 1.0955 0.1865 0.4479 0.9805 0.1865 0.7024 0.1865 0.5563 0.1865 1.0985 1.3703 0.1865 0.4434 0.9409 0.1865 1.0637 0.4579 0.1865 0.1865 0.6286 1.1065 0.1865 0.5703 0.8948 0.7815 0.4626 0.5824 0.1865 0.1865 0.1865 0.6873 0.1865 0.4482 0.7843 0.4488 0.6055 1.2226 0.1865 1.4283 0.5591 0.3368 0.7042 0.1865 1.3444 0.6364 0.1865 0.1865 1.3544 1.6594 1.1426 0.4206 0.9859 1.3024 1.1174 0.9130 1.0021 1.6432 0.8082 2.2219 1.1134 1.0109 1.3478 1.7421 0.1865 2.5176 1.0097 0.5245 0.1865 0.9979 0.7330 1.0594 1.2264 0.1865 1.0415 0.1865 1.4503 0.7781 1.4073 0.9650 1.1518 gamma-glutamylvaline 1.0013 1.2384 1.1350 1.0000 0.9089 0.8644 1.4513 1.2453 1.0371 1.5588 1.6355 0.5635 0.9783 1.1337 0.9519 1.9255 2.2860 0.7634 1.6992 1.2031 1.0016 0.8491 0.7863 1.0310 0.8482 0.9817 1.3014 1.1229 1.4174 1.5481 1.5897 1.3879 1.3268 1.2050 1.6801 1.2745 0.8963 1.8136 1.6610 1.2458 1.6632 1.4490 1.3754 1.4060 2.0689 1.3127 1.4210 1.5633 1.8971 1.2565 0.8836 1.3057 0.4257 0.1212 0.3559 0.5306 0.8596 0.7278 0.9959 0.1180 0.7307 0.6479 0.4760 0.9512 0.3681 0.6310 0.2593 0.3392 0.1674 0.1538 0.2922 0.2784 0.5124 0.4860 0.3492 0.9605 0.4773 0.2187 0.6537 0.2182 0.7303 0.6193 1.0309 0.9739 0.7395 0.4234 1.7954 0.8301 0.2024 0.7566 1.1417 0.4017 0.3801 0.2085 1.0317 0.8727 1.1850 0.4490 1.6941 1.2873 0.9023 1.5163 0.5564 1.0446 1.2234 0.5567 1.1015 0.7595 0.8618 1.3419 0.9675 1.1929 0.3729 1.1827 1.3259 0.3438 1.3421 1.6118 1.2002 1.0563 0.8260 1.3903 1.2361 1.0397 0.5736 0.8744 1.2420 1.1578 1.1026 1.3155 0.5830 gamma-tocopherol/beta-tocopherol 1.3383 1.6396 0.3442 1.4933 1.7952 0.9360 0.7349 1.7659 0.8295 2.1533 0.7369 1.6086 0.7165 1.4110 0.9469 0.1353 1.3773 0.8843 0.5037 1.5138 0.6029 0.8704 1.4430 1.9193 1.4228 1.1298 1.1378 1.0316 0.5052 0.8211 1.1302 1.7707 1.5766 1.4065 2.0085 0.8202 0.9521 1.4443 1.2213 0.4103 1.4568 0.8189 1.2078 0.7974 1.0981 0.4206 1.1454 2.1732 1.4291 1.3250 1.5778 0.8053 0.7204 0.7438 0.8394 0.7366 0.5986 1.2912 0.3632 0.9484 1.1453 1.6828 0.2850 1.0714 1.3836 0.7233 1.5208 1.0918 0.7609 0.5281 0.7289 1.0279 0.5484 0.8714 0.6812 0.9858 0.5137 0.9994 0.4922 0.9782 0.7250 1.0773 0.7064 1.1348 0.9095 0.8253 0.9844 1.0899 1.0152 0.7750 0.8830 0.6450 0.6242 0.9058 1.1945 0.9200 1.3616 1.0437 1.0080 0.8786 1.0000 1.2448 1.2361 0.9655 0.6555 1.3691 0.7025 1.0193 1.2118 1.6145 1.0089 1.1475 1.5781 1.3607 0.7969 1.0582 1.0709 0.9350 0.3619 0.5434 1.4602 1.0975 0.5837 0.3828 1.0539 0.7940 1.5025 0.7673 1.5355 1.1380 0.8100 genistein sulfate* 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 1.5288 2.8206 0.3659 16.8477 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.6654 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 2.3970 0.3659 0.3880 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 7.3383 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.8946 0.3659 2.5114 0.3659 0.3659 0.3659 0.3659 5.8184 0.3659 0.6716 0.3659 1.0000 0.3659 0.3659 0.6347 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.4423 0.3659 0.3659 0.3659 1.0037 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.5816 0.3659 0.3659 0.3659 gentisate 0.3854 0.3095 0.3620 1.6878 1.8856 1.6790 1.8737 2.1284 1.5516 0.3443 1.0051 1.5310 0.3124 0.5385 1.6343 0.5091 0.4215 0.0659 0.4959 0.7265 1.7274 0.2167 0.2071 0.4691 0.1521 0.1880 2.4575 0.3858 0.8942 1.5887 0.7866 2.1681 0.0659 0.3649 0.4528 1.3125 0.8373 0.5956 0.9264 0.3733 0.4177 0.7237 0.2819 0.3804 1.5582 0.4388 0.4888 0.0659 1.3197 0.1598 0.0659 1.9388 0.9726 1.7628 1.0516 0.8650 1.9210 0.7282 0.7201 3.4261 0.6605 1.5262 1.4088 0.6867 4.0076 2.6576 3.2934 0.9908 0.8776 0.7808 1.0220 0.7100 0.5058 0.5649 0.4404 1.5590 0.0659 0.9657 0.8970 1.2682 1.7980 1.4271 0.9194 0.8228 2.3644 0.3737 4.6796 1.8629 4.4828 1.2995 0.6450 3.7551 2.3250 1.6024 1.0451 0.3814 0.5632 0.0659 1.3899 1.3660 0.5827 4.2889 1.5258 1.1900 1.4525 2.1289 1.6580 1.2949 1.1370 1.8980 0.8691 0.8168 2.9212 0.3315 0.2941 2.4561 2.2165 0.8305 1.2037 0.9949 3.7889 0.3490 0.4664 5.5668 1.2258 2.7683 1.5631 1.0284 1.4449 0.7218 1.5291 GlcNAc sulfate conjugate of C21H34O2 steroid** 0.7812 0.8174 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.8516 0.7812 0.7812 2.9038 0.7812 0.7812 7.0143 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 2.1829 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.9246 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 0.7812 1.0754 gluconate 1.8069 1.0929 1.1768 0.7194 1.2194 0.6694 1.0100 1.5693 0.6906 1.8376 0.9748 1.1916 1.0604 1.1323 0.8850 1.4218 0.9988 0.7386 2.2143 0.9190 1.2989 0.7198 0.7503 0.9678 0.6629 0.8627 1.5060 1.0058 0.8975 0.7706 1.2428 1.6234 1.1201 0.9700 1.7348 1.5641 0.7474 0.9742 1.4691 0.6572 0.7025 1.3768 1.2676 0.5063 1.5216 0.7688 0.8246 1.9533 3.7806 1.2908 1.8794 0.9324 0.7526 0.7870 0.6067 1.2391 1.0212 1.0363 0.9416 1.0662 1.1242 0.8921 0.9056 0.7616 0.9661 0.8481 1.0188 1.2260 0.5740 0.7936 0.6483 0.8263 0.7251 0.8180 0.7858 0.7014 0.7474 0.8629 1.1107 0.6716 0.8421 0.9577 0.6370 1.2231 0.7340 1.1037 1.1679 1.2212 0.8440 1.2538 1.1267 0.7391 0.9991 0.7265 0.7636 1.1504 1.7820 1.6640 2.0926 1.1669 0.8941 1.3027 0.9101 1.1515 1.0000 1.4196 0.8303 1.2429 0.9106 1.3092 0.9866 1.2183 1.0845 1.4974 0.6787 1.2049 1.1436 1.0112 1.0853 0.9153 0.9654 1.8238 0.8415 0.7540 0.8731 0.9571 1.0910 1.0127 1.1899 1.3649 1.1885 glucose 1.4068 0.9116 1.6200 1.1664 1.4255 0.8521 1.2076 2.1071 0.8648 1.8761 0.9818 1.0024 1.0071 0.9571 1.1161 1.0458 1.1968 0.9569 1.2163 1.0724 1.4358 0.8988 1.1788 1.1412 1.0117 1.0381 1.3280 1.0208 1.1755 0.9365 1.2826 1.0663 1.4399 0.9831 1.4343 1.2166 0.9162 0.8852 1.2281 0.9770 1.0772 1.0925 0.9838 0.9771 1.4817 1.2116 1.0097 1.8728 1.3956 1.2348 1.4414 1.2073 0.8254 0.8202 0.8142 0.8882 0.9330 0.9018 0.8847 0.9067 0.9898 0.8639 0.9412 0.8646 0.8590 1.0000 1.0020 0.9689 0.8960 0.9070 0.8883 0.7124 0.8060 0.9987 0.8811 0.9383 0.7946 0.9698 0.9101 0.8201 0.8841 0.8268 0.8311 0.9991 0.7698 0.9226 0.9326 0.9623 0.8977 1.0004 0.9541 0.9696 1.0158 0.9774 1.0146 1.0399 2.3741 1.2234 0.9551 0.9661 1.0976 1.0590 1.0644 1.0798 0.9297 1.5156 0.9413 1.2117 1.0495 1.1269 1.0234 1.3379 0.9187 1.6349 0.9733 0.9994 1.4245 1.3512 1.0148 0.9987 0.9885 1.2599 1.0152 1.0611 0.9124 1.0514 1.2003 0.8738 1.0983 0.9196 0.9924 glucuronate 0.9256 1.3140 1.0270 0.8363 1.3357 0.9139 1.9656 3.6841 1.0540 1.4302 0.7312 1.3033 0.7460 0.8307 0.9457 1.1889 1.2995 0.6709 1.6542 1.0002 1.0255 0.8277 0.9542 1.3420 0.6906 0.8619 1.1123 1.7570 0.5678 0.8288 1.2398 1.4175 1.5595 1.0175 0.9120 1.1504 0.6989 1.4311 2.3685 0.3487 0.7789 0.8420 0.9870 1.2465 1.5716 0.7690 0.9320 5.4827 1.9709 1.1215 1.4060 1.4304 0.7954 1.1181 1.1083 0.8127 0.5374 0.9506 2.4950 0.5688 0.7052 0.8045 1.2486 0.8846 0.7020 0.4944 0.6479 0.9972 0.5543 0.7514 0.6673 1.2542 1.0000 0.5150 0.5573 0.6911 1.2683 0.8858 0.7217 0.9248 0.9704 0.8111 1.0119 0.6045 0.7007 1.1042 1.3618 0.8142 1.3465 0.7818 0.4689 0.7551 0.7823 0.4025 1.0837 1.3925 0.8483 3.5510 0.9247 1.5626 0.6948 2.8634 0.7753 0.8792 1.2226 0.8244 1.0946 0.9474 0.7875 1.0807 1.4256 1.1395 1.0549 1.2643 1.2137 2.4456 2.0827 1.3106 1.6714 1.0527 0.7440 1.1688 3.4274 1.4908 0.9976 0.8199 1.1925 5.8598 1.7426 0.5881 1.1950 glucuronide of C10H18O2 (7)* 0.7160 0.3795 0.3795 0.3795 0.3795 0.5339 0.4506 15.6926 1.8564 1.9647 0.3795 0.6832 0.3795 0.3795 0.3795 1.0421 1.6264 0.3795 0.3795 0.3795 1.2589 0.3795 0.3795 8.3115 0.7914 0.3795 1.0950 0.3795 0.3795 0.6922 0.4951 0.9225 6.8739 0.3795 0.3795 0.4851 0.3795 0.6293 0.3795 0.3795 1.0791 0.3795 0.3795 0.3795 4.5806 0.8371 0.6653 0.3795 2.3452 1.6555 7.1173 0.3795 0.3795 1.6378 0.3795 0.9657 0.3795 4.5085 0.3795 1.4176 0.3795 0.5835 0.3795 0.3795 0.3795 0.3795 0.3795 0.3795 0.3795 0.3795 0.8753 0.3795 0.3795 0.3795 0.3795 0.3795 1.0025 0.3795 0.5418 0.3795 0.3795 0.6301 9.9627 1.8084 0.3795 0.3795 0.3795 0.3795 0.9624 0.3795 0.3795 0.6994 0.3795 0.6647 0.3795 0.3795 0.3795 0.8992 0.9896 0.5098 0.3795 1.0369 0.3795 0.3795 0.4395 1.5477 0.3795 0.9165 0.3795 0.4772 2.5649 0.3795 0.6619 1.0000 0.3795 18.4783 2.9571 1.2578 0.3795 1.5735 0.3795 0.3795 3.0306 0.3795 0.3795 0.5405 0.3795 1.3698 0.3795 0.3795 0.3795 glucuronide of C10H18O2 (8)* 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 4.4649 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 1.6213 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 1.8563 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 1.1370 0.4144 0.4144 0.4144 0.4144 0.4144 1.2168 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.6001 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.5551 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.7170 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 2.5196 0.8630 0.4144 0.4144 0.4144 0.4144 0.4144 0.6828 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 0.4144 glucuronide of piperine metabolite C17H21NO3 (4)* 0.4405 1.6518 0.3321 3.5749 3.6660 0.2097 2.1806 1.7659 1.3515 6.7028 0.1890 1.6177 0.1505 0.8689 0.4206 0.1095 7.3134 0.7072 1.9520 4.5860 5.5995 0.2617 0.5591 1.2886 0.3508 1.8577 1.0590 2.2923 0.1974 1.8323 0.9277 1.4938 2.5943 0.1095 1.5709 1.3458 0.5558 4.0617 0.7241 0.1095 2.7864 0.3181 0.2346 0.6151 5.2406 0.1473 0.9450 1.3160 0.6431 1.5180 1.9930 4.2665 0.9150 1.0301 1.4232 1.2625 0.2440 0.2452 0.4134 0.3752 4.7930 8.4960 0.4313 4.2447 0.5666 0.1095 4.6655 0.4477 0.7856 2.2561 2.0095 0.7326 1.0543 0.1822 0.2336 5.4742 0.6924 0.9748 0.3694 0.7084 3.6536 0.7801 0.8196 0.9498 0.1221 0.8793 2.9586 1.0824 3.8554 0.1095 0.9203 0.2931 0.2729 0.1163 2.1188 2.3508 1.0390 1.0521 0.3239 0.8974 0.6109 2.7591 0.8698 1.4287 2.5014 0.7829 0.5476 1.8623 20.5587 0.6455 6.0568 0.7679 3.0937 0.9559 0.8912 2.5649 3.4886 5.7263 1.0000 0.3383 0.9226 0.3992 0.1491 1.2441 3.1523 1.8636 4.7302 2.4017 1.0544 0.3285 0.7958 glucuronide of piperine metabolite C17H21NO3 (5)* 0.2994 1.5861 0.2341 1.8059 1.0761 0.2341 1.2342 1.0889 0.4649 3.8632 0.2341 0.5860 0.2341 0.2341 0.2341 0.2341 3.4760 0.2341 1.0038 3.1563 3.8548 0.2341 0.6285 0.7981 0.2341 0.5686 1.5916 1.3416 0.2341 0.2341 0.6371 0.7208 1.2809 0.2341 0.3751 0.7580 0.2341 1.5818 0.2341 0.2341 0.6279 0.4405 0.2341 0.2341 2.4637 0.2341 0.5479 0.6581 0.2341 0.4064 0.4970 2.4847 0.2341 1.3660 0.5006 0.5403 0.2341 0.2341 0.2341 0.2341 2.9081 4.3222 0.2341 1.0042 0.3997 0.2341 1.6505 0.2341 0.2341 1.1795 0.6004 0.7905 0.6010 0.2341 0.2341 3.1115 0.4062 0.2341 0.2341 0.2341 0.2341 0.2341 0.4594 0.5067 0.2341 0.6511 1.5419 0.3418 1.3529 0.2341 0.2341 0.4809 0.2341 0.2341 0.5143 0.9729 0.3271 0.3026 0.2341 1.3170 0.4170 0.9213 0.5906 0.6057 1.0000 0.2341 0.2341 1.5745 7.9997 0.2341 1.8076 0.2341 1.4051 0.3736 0.2341 1.0272 1.4481 3.5157 0.2341 0.2341 0.2341 0.2341 0.2341 1.8889 3.7059 3.1789 3.5608 1.5422 1.1518 0.2341 0.8429 glutamate 0.6323 0.7490 1.3262 1.5377 1.4616 0.9426 1.1531 1.7101 1.5992 1.7195 0.8009 0.9650 0.8770 1.3591 1.8712 1.0636 1.7344 1.5319 0.9569 0.8993 1.4186 1.4130 1.3637 1.0000 1.0092 0.9171 0.8945 1.2884 1.2111 1.9340 2.0773 1.8405 1.9962 1.5247 1.0232 1.1326 0.8799 0.9844 1.7428 0.7182 1.7382 1.1012 1.4316 1.4751 2.1887 1.2890 1.3380 1.1929 1.3064 1.8485 1.0362 1.5869 0.4532 0.4142 0.4461 0.6265 0.8260 0.7640 1.1206 0.4182 0.4851 0.5538 0.5233 0.8264 0.5629 0.6685 0.5007 0.5682 0.5898 0.4221 0.4376 0.5488 0.4640 0.7581 0.5293 0.6190 0.4086 0.3920 0.3761 0.6800 0.5565 0.6056 0.6502 0.6784 0.3023 0.5240 1.1287 0.6783 0.6044 0.9907 0.4550 0.4412 0.7800 0.2160 0.4358 0.8221 1.2793 1.6059 1.4486 1.3284 1.7450 2.0208 1.5370 0.8940 1.3779 2.0973 0.9532 1.4416 2.1812 1.3453 1.3515 1.5645 0.8841 1.6991 0.8580 0.7660 1.1562 1.4303 1.2007 1.4826 0.6510 1.3059 1.3334 0.9332 1.4032 1.2514 1.1118 0.9950 0.3976 0.8829 1.5243 glutamine 1.2210 1.0821 0.7501 0.9087 0.9842 0.8170 1.0542 0.9215 0.9525 0.9075 1.0444 0.9755 1.0160 1.0097 0.8071 0.9850 0.9534 1.0378 1.0475 0.9414 0.8029 0.9037 0.8392 1.0667 0.7062 1.1971 1.0083 0.8423 0.9499 0.9632 0.8382 1.1165 0.9643 0.8858 0.9011 0.9362 1.2030 1.2091 0.9305 0.8854 1.0532 0.8515 1.1037 1.0602 0.9780 1.0541 1.2010 0.8147 0.9762 0.9281 1.1253 0.9707 0.7649 0.8044 1.0727 1.0212 1.1614 0.9056 0.7028 1.0045 1.1450 1.1641 1.1733 1.0404 1.0854 1.0045 1.0980 0.8885 1.0330 1.1516 1.1166 0.9887 0.6954 1.1230 1.0843 1.2131 0.9040 0.8903 0.9909 1.0446 1.0931 1.0041 0.9596 1.0886 1.0646 1.1026 1.1013 1.1659 0.9152 1.1712 1.0997 1.0391 1.1112 1.0808 1.1540 1.0371 0.7870 0.9450 1.1378 1.1730 1.1645 0.9651 1.0137 0.8079 1.0895 0.9924 0.9747 1.0720 0.9407 1.1149 0.9329 0.9688 0.9680 0.9255 1.1455 1.0504 0.8639 0.8979 1.0554 0.8465 0.8397 1.0000 1.1572 0.9937 0.9812 1.0137 0.9551 0.9028 0.9677 1.1328 0.9429 glutamine conjugate of C6H10O2 (1)* 4.5429 2.2949 0.9854 0.9809 0.5756 1.3772 1.7060 2.4225 3.1601 3.4052 1.7236 1.4683 0.8461 2.4361 0.7409 1.2936 0.9954 0.9707 0.8098 0.7568 0.8986 0.7477 0.5409 3.2950 2.2136 0.3772 1.3511 3.3497 1.2011 0.8693 3.0791 0.9871 9.7132 1.5003 1.0950 1.3310 0.4167 1.0000 1.5881 0.8714 0.3384 2.5315 1.0286 1.4749 4.3210 0.9137 0.6757 3.3204 2.4900 0.8967 1.9477 0.5234 0.2413 5.0282 0.2235 0.8307 0.2235 0.4704 0.3925 0.2235 0.8279 0.9008 1.8725 0.9408 0.6806 0.3463 0.8261 1.3813 0.6018 0.8776 0.7145 1.2586 0.7898 0.8804 0.3523 2.2018 2.5484 0.7471 0.5749 0.7484 0.5169 0.8534 1.9643 2.0565 0.4738 1.5158 2.1319 0.2235 1.3679 0.2920 1.6029 1.7271 0.5657 0.7995 0.2235 3.2355 0.8060 1.3704 0.4587 0.9360 1.5182 1.6004 0.3787 0.9807 0.3866 1.2661 1.6734 1.5538 0.4866 1.3922 1.4305 1.0794 1.2343 1.1290 0.6513 2.1594 1.7574 0.6297 0.5217 0.8032 0.5589 0.8823 1.0935 1.3885 0.5300 1.8754 0.4299 1.3698 3.1510 2.4721 4.7967 glutamine conjugate of C6H10O2 (2)* 11.1066 5.0868 1.6860 0.7020 0.2887 1.2753 1.7838 3.0629 4.5838 3.4397 2.2759 1.0548 0.9233 3.5904 0.6225 1.3536 0.5486 1.6410 0.6431 0.6903 0.5211 1.2000 0.6192 4.8705 4.4544 0.2933 1.2814 5.3217 2.2881 1.0529 2.8695 0.4230 11.1891 1.8327 1.9775 1.5333 0.2840 0.4918 0.8123 1.5210 0.1496 4.1422 1.6899 2.3135 3.7095 1.6103 0.4363 4.4149 1.9125 1.5338 2.6465 0.3182 0.1855 10.2209 0.1087 0.6353 0.1087 0.4929 0.4593 0.1191 0.2808 0.5572 1.0962 0.9189 0.5196 0.1551 0.2083 0.9490 0.3360 0.5792 0.8291 2.0875 1.3645 0.5348 0.1737 0.8172 5.4579 0.4978 0.4875 0.1166 0.2710 0.8245 2.0591 1.9964 0.4291 0.6138 2.3573 0.2240 0.2392 0.1088 1.2332 0.7723 0.2667 0.7819 0.1087 4.0893 1.0000 1.4493 0.6123 0.8458 1.4968 1.1889 0.3095 1.0281 0.1925 0.7499 2.1703 1.2116 0.4250 0.4198 2.4150 1.3537 0.8642 1.6330 0.9057 2.2388 1.1582 0.5043 0.5542 0.7968 0.3384 1.0173 1.2755 1.7346 0.3282 3.2019 0.3200 2.0820 4.0778 2.7418 2.1698 glutamine conjugate of C7H12O2* 3.9751 4.0977 1.3572 0.7066 0.2930 0.9817 1.7367 1.0560 4.4803 4.5511 2.2438 0.9676 1.0167 4.0695 0.8018 1.4153 0.6517 0.9539 0.6650 0.9214 0.9092 0.7356 0.7341 4.3400 3.2262 0.3514 1.7294 4.7127 1.2451 0.6632 3.3939 0.5772 12.7582 1.0515 1.0623 1.5435 0.3225 0.8302 0.5935 0.6727 0.2456 3.0816 1.0859 2.0385 5.1428 1.0112 0.7667 2.9830 1.9038 1.0477 1.9993 0.3471 0.2415 3.9733 0.1809 0.5456 0.1809 0.7101 0.4724 0.1809 0.3991 0.7239 1.7356 1.0357 0.5773 0.2520 0.3134 1.6454 0.7567 0.8639 0.8469 1.6383 1.2560 0.8281 0.1809 1.2199 3.4934 0.4699 0.7781 0.1809 0.3155 0.8104 1.6870 3.0922 0.5128 1.0564 2.4532 0.3073 0.1809 0.1809 1.3129 0.7770 0.2083 0.5912 0.1809 4.4236 0.6491 1.3577 0.6879 1.0678 0.9888 1.9960 0.3167 1.1434 0.2687 0.5325 1.7567 1.1181 0.5414 0.6916 1.6697 0.7943 0.8259 1.3174 0.6557 1.9871 1.1157 0.6060 0.5332 0.9376 0.6005 1.1640 1.2767 1.9190 0.2996 2.4343 0.3630 1.4658 4.5000 3.8493 1.8047 glutarate (C5-DC) 2.2230 1.0190 2.9661 1.1502 3.4846 0.9243 1.4773 5.2176 0.9495 0.5593 1.4359 0.8657 0.5837 0.6642 0.7115 0.9442 7.0242 0.8083 1.2328 0.5557 0.9613 0.8939 1.2538 1.2020 0.7431 3.9630 2.2088 0.9398 2.5211 3.8728 3.2949 1.1797 0.5341 4.7777 0.5760 0.5788 0.8504 3.0829 5.9817 1.4497 3.4519 11.5477 0.5323 0.9682 0.9345 0.8672 1.2192 1.3022 1.2660 1.0755 2.8637 2.8761 0.5399 0.9861 0.7441 0.8875 1.2080 6.6637 0.6314 0.8454 1.3243 2.2821 0.3595 2.4828 0.7131 1.1829 2.8801 0.6280 1.5863 0.9544 0.9808 2.4273 1.1043 1.6486 0.7335 1.8473 0.8580 0.7769 1.2291 0.6272 1.2235 1.1731 0.6133 1.0906 1.0198 1.4395 2.2572 3.0414 0.6070 0.6457 0.5019 1.0117 0.9170 0.6463 0.8732 0.9258 1.4469 0.6117 0.7965 2.5082 3.4817 1.5644 0.4448 0.4415 1.4085 7.4529 0.8260 0.9871 0.8066 0.7990 1.9707 1.0159 0.7704 0.5149 0.5173 1.2120 0.9850 1.0000 1.2859 0.7605 0.6700 1.6482 0.6842 0.5558 0.5122 2.5298 0.6180 3.6034 0.6880 1.0135 0.6286 glutarylcarnitine (C5-DC) 0.2923 0.9407 1.4218 1.0289 0.4266 0.8228 0.9725 0.8276 0.2923 0.4673 1.6864 0.6804 1.0872 0.6073 1.1417 1.3070 1.8681 0.8647 1.9029 0.5375 0.6077 1.0658 0.4933 0.3378 0.7322 0.9264 4.2372 0.4504 0.6766 0.4643 0.4151 0.7514 0.4876 1.3618 0.9228 1.3522 1.7082 1.5807 0.7823 1.0509 1.3067 1.0167 0.5471 1.1192 1.0808 0.8174 0.9910 0.2923 1.7754 1.0659 2.0369 0.5636 1.0785 0.2923 0.5280 0.5212 0.4783 1.0686 1.0563 0.7468 1.1440 0.7556 0.7703 0.6751 1.1826 0.4219 1.7992 1.0990 0.7933 1.1285 0.8045 0.6920 0.3721 1.7268 0.4794 1.1742 1.2713 0.6048 0.9685 0.5117 0.9083 0.3592 1.6469 1.0806 1.0568 0.9346 1.4134 1.0231 0.8663 0.7281 0.4276 0.9033 1.5540 0.3943 0.7468 1.2811 1.0953 0.7222 1.2475 1.4680 0.7438 1.8621 0.7618 1.6085 1.0897 0.9301 1.2443 1.2325 1.3919 1.8313 0.8263 0.8308 1.0069 1.0532 1.7900 1.7607 1.7125 0.9184 0.7820 0.9931 1.3332 1.0090 1.7545 1.0137 2.2937 1.8449 1.0772 0.7901 1.4619 2.0087 0.7403 glyburide 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 glycerate 0.9967 0.7772 0.9977 1.0670 1.0378 1.2126 0.8780 0.4302 1.2106 0.8848 1.0996 0.9145 1.4048 0.7274 1.5301 0.8726 0.9475 1.0327 0.7726 0.4999 1.4339 1.1462 1.0631 0.4371 0.6624 0.8885 0.8224 1.1920 1.3317 1.2237 0.9091 0.8149 0.5846 1.1250 1.2027 1.3167 1.0000 0.8796 0.8311 0.5832 0.6423 0.8499 0.8501 1.1054 1.1166 1.2186 1.1949 0.5859 0.4427 0.9195 0.6287 0.9566 0.7259 0.9814 1.1491 1.5710 1.3426 1.8495 1.5191 1.9821 1.0197 0.8145 0.8988 1.0865 0.7314 0.9816 1.4378 0.7316 0.9479 1.1964 1.0314 1.0176 0.8396 0.9371 1.0792 0.9019 0.9354 0.8088 1.3831 0.8327 1.1774 1.2199 1.4714 1.2705 0.8343 1.5392 0.9364 1.2545 1.2603 1.0304 1.4674 1.3556 1.0128 1.1129 1.0011 1.2175 0.8156 1.1308 1.0211 1.0393 0.9103 0.5844 0.4991 0.9025 1.1590 0.9617 0.8786 0.7565 1.5068 0.7832 1.0884 1.0113 0.9125 0.7354 0.7702 1.0330 0.6157 0.8992 1.1049 1.2079 1.1835 0.8755 0.9725 1.0411 1.0604 1.2345 1.1231 1.0214 0.9625 0.7566 0.8278 glycerol 2.3319 1.8603 1.7027 0.7736 1.0228 1.0000 0.9897 0.6012 1.0595 2.4426 2.2284 1.3089 2.7261 1.6121 1.2625 1.7748 0.6468 0.9731 0.6748 2.4666 0.9169 1.2804 1.4452 1.2655 1.4518 1.2544 0.7289 1.1344 0.4913 0.6529 1.3166 0.7747 1.2230 1.2540 1.1425 1.1053 1.1138 0.4635 0.9067 0.9860 0.3706 1.4435 0.7936 0.8798 1.0339 0.7033 0.7863 1.1411 0.8934 0.9658 0.9182 0.3676 0.6772 0.6822 0.3094 1.2475 0.7606 0.7740 0.6812 1.4581 0.8583 1.8948 1.5295 0.3375 1.5936 0.7219 0.8321 0.6853 0.4567 2.1383 1.1515 0.7360 0.6512 1.0066 0.8647 0.2747 1.9056 1.1788 1.6786 1.2433 1.0782 0.9669 1.0514 0.8567 0.6160 0.3429 0.4971 0.6914 0.7190 0.4661 0.4003 0.4886 0.4318 0.4246 0.3125 1.3061 0.8882 0.8393 1.4962 1.3554 1.0467 0.4345 1.4508 1.2782 0.8440 0.9690 0.8555 1.6925 1.0122 1.7541 2.0703 0.9479 1.7689 1.1529 0.7818 1.5260 1.5283 0.8597 0.6750 1.2840 1.3825 1.1886 0.5224 0.8925 1.2355 0.8630 1.0677 1.2245 4.3642 1.1781 1.1476 glycerol 3-phosphate 0.4049 0.4049 0.4049 0.4049 2.7336 0.9027 0.4049 0.4049 0.4049 0.6275 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4905 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.4049 0.8419 0.4049 0.4049 0.4049 0.4049 0.4049 1.1097 0.4049 0.4049 1.2526 0.4049 0.7986 1.0340 1.0081 0.4049 0.4049 1.2378 3.0200 1.0796 1.1179 1.1395 0.4049 0.8946 0.4049 0.4049 1.0397 0.6465 0.7735 1.1435 0.7709 1.2260 0.4049 0.8451 2.1349 0.8905 0.4938 0.4049 0.7263 0.4049 0.7068 1.8237 0.4049 0.6661 2.8462 1.5183 0.9919 0.4049 glycerophosphoethanolamine 1.0916 1.1453 1.5896 0.6160 0.8958 0.6017 0.9377 0.8092 1.0463 1.5461 0.7671 1.3859 1.2534 0.7762 1.0496 1.4062 1.0199 1.1899 0.9454 1.2865 1.1295 1.6349 1.6763 0.6761 1.2926 1.5674 1.0464 1.1772 0.8710 1.1579 1.3988 1.1006 1.4003 1.4098 0.7081 1.0000 1.2663 1.0546 1.4055 0.3619 0.9879 0.7276 1.3987 1.1808 1.4796 0.8176 1.5578 1.4456 1.0508 1.7619 1.0035 1.3356 1.0386 0.9554 1.3187 1.4416 1.3605 1.1301 1.2755 0.8290 0.9428 0.7116 1.1563 1.1127 1.2262 1.0653 1.2479 1.3049 1.0405 0.8202 0.8698 0.6519 0.7534 1.2862 0.9440 1.2284 1.1962 0.8039 1.4048 1.9371 1.6533 1.0938 1.4066 1.2396 0.7592 1.1477 1.8568 1.3808 1.4471 1.2628 0.5206 0.7158 1.8368 0.3478 0.8370 0.5150 0.4330 0.5000 0.7988 0.8851 0.6998 0.9127 0.5213 0.5325 0.5864 0.6420 0.4931 0.8302 0.9933 0.5309 1.0859 0.4102 0.7285 0.6544 0.3917 0.3832 0.7005 0.3937 0.4235 0.7198 0.7062 0.7163 0.8124 0.6182 0.6029 0.5886 0.6122 0.5622 0.4745 0.3408 0.7246 glycerophosphoglycerol 0.8246 1.1483 1.5893 0.6451 1.6026 0.5490 0.6735 0.4131 0.4131 2.1359 0.4131 1.0661 0.5062 1.0477 0.8305 0.7923 2.4453 0.8945 1.0812 1.2559 2.1494 0.8947 1.3654 0.6027 1.1011 0.4131 0.6982 0.6742 0.4131 1.0115 1.9549 1.6769 2.2253 1.2635 0.9775 1.1285 0.8400 2.4348 1.9856 0.5838 1.1674 0.6327 1.9541 1.6800 2.2973 0.4131 1.1741 1.7287 1.3948 1.3078 2.8120 1.4349 0.9603 0.5272 0.7418 0.9649 1.1824 0.4131 1.1497 0.9893 0.8219 1.1380 0.5486 0.4131 0.4131 1.0000 0.4131 1.2627 0.4427 0.9818 0.4131 0.4131 0.4131 1.4198 0.4131 2.3628 0.4231 0.4131 0.6815 1.5920 0.5908 0.4131 1.9488 0.9990 0.6215 7.1876 1.3689 0.8088 1.1850 0.9929 0.5469 2.5934 1.0330 0.4131 1.5305 0.4131 0.4131 0.7534 0.8057 0.9245 1.0935 1.0936 0.7977 0.6445 0.4131 0.8939 0.4131 1.2647 1.6899 0.8352 0.4131 0.4131 0.7678 1.1627 0.4131 0.4131 1.2106 0.7578 0.4131 0.8316 0.4131 1.3712 0.5769 0.6875 0.7565 0.4572 0.9063 0.8183 0.4131 0.4131 0.9952 glycerophosphoinositol* 0.2549 0.1921 0.8464 0.1921 8.4582 0.1921 0.1921 0.3749 0.8532 0.1921 0.2013 0.8519 0.1921 0.1921 1.1452 0.1921 0.1921 0.9365 0.1921 0.1921 0.1921 1.2056 0.1921 0.1921 2.0916 0.1921 0.3970 0.1921 1.0888 3.6261 0.1921 0.1921 0.1921 0.1921 0.1921 1.6440 3.2220 10.9612 0.1921 0.1921 0.4239 0.3447 9.4639 0.1921 0.8127 0.2632 0.8972 0.1921 0.1921 0.5647 4.1753 0.1921 0.1921 0.1921 2.0472 7.1577 0.9727 1.0000 3.2310 1.1586 0.1921 0.1921 0.1921 0.1921 1.0917 2.1664 1.9570 0.1921 2.0121 0.1921 0.1921 0.1921 0.5237 0.9900 0.6784 0.8059 0.1921 1.5110 2.0091 1.5430 3.0851 4.9374 0.6441 4.6800 0.1921 0.1921 0.1921 1.7877 1.6385 4.0208 3.1124 0.1921 1.6374 0.8187 1.5531 1.9814 0.1921 0.1921 0.8671 0.1921 0.4837 0.1921 0.1921 0.6456 0.3568 0.6975 0.3889 0.4742 1.2042 0.3033 0.1921 0.6282 0.6334 0.1921 1.0657 1.6406 0.2847 0.1921 0.6658 0.2216 1.8163 0.1921 0.6051 0.1921 0.1921 0.1921 0.4871 1.1628 0.6553 0.1921 1.5131 glycerophosphorylcholine (GPC) 0.8237 1.7569 0.9824 0.5419 1.0932 0.4933 1.1610 0.4147 0.6833 3.1700 0.5660 0.9601 6.2982 0.4835 0.7623 6.1879 1.1378 2.7853 1.4921 1.2790 0.6924 3.8362 1.3047 0.6179 1.0416 5.9007 1.0974 1.9104 0.7485 0.9533 1.5640 1.1037 0.8783 1.5212 0.4822 1.1284 1.4517 1.3034 1.6166 0.2526 0.8617 0.6103 2.1635 1.1594 1.0123 0.5445 1.2967 1.5671 0.6292 2.4518 0.7776 1.4780 1.3031 1.1403 3.1150 4.4837 1.4110 1.1861 0.8605 0.9001 1.0794 1.3271 0.9847 1.8577 1.7494 1.2205 1.5191 1.6051 1.1322 1.0755 0.8427 0.6020 1.0000 0.9469 0.8029 1.2515 1.3057 1.0665 1.3757 3.4088 1.9181 2.4126 1.4308 1.5765 1.0825 1.1337 1.2873 1.3980 2.3307 1.5732 1.3572 0.6642 2.7953 0.7550 0.8692 0.6222 0.3605 0.3881 1.0485 1.4406 0.5470 0.8892 0.6290 0.4726 1.0013 0.4059 0.6836 0.5172 0.7519 0.4485 0.7924 0.5081 0.9332 0.3723 0.6421 0.5578 0.5028 0.3426 0.4433 0.4447 0.7473 0.6862 0.6349 0.6535 0.7560 0.6216 0.5808 0.7982 0.5784 0.4374 0.7399 glycine 1.1173 1.2427 0.7245 0.9051 1.1178 1.1776 0.7081 0.9619 0.7517 0.8644 0.9416 0.9264 1.0877 1.2690 0.6761 1.3008 0.8434 0.9695 1.0398 1.3641 0.7600 0.8288 0.6888 0.9966 0.7559 1.0953 1.1512 0.8962 0.8299 0.8769 0.6922 1.7049 0.9827 0.8254 0.8391 0.6883 0.8300 0.8027 0.8296 0.9668 1.3272 0.9208 1.1433 0.8358 0.7326 0.7366 1.8767 0.8758 1.4605 0.8311 1.4429 0.9443 0.7650 1.5701 1.5834 1.6013 2.4679 1.7413 1.4650 1.6567 1.2913 1.8164 1.1606 1.0184 1.4077 1.2146 1.2716 2.0963 1.3392 1.2170 1.2407 1.4046 0.7171 2.1463 1.4962 1.2784 1.0665 1.6302 1.8666 2.0332 0.9963 1.9856 1.9032 1.7902 1.1530 1.4241 1.1646 1.1944 0.7714 1.7890 1.6409 0.9830 1.1414 1.3955 1.1644 0.8863 0.7027 0.9165 0.9871 0.9696 1.4229 1.0563 1.0881 1.2089 0.9985 0.7343 0.7891 0.7884 1.0628 1.1497 1.1461 0.8386 1.1775 0.8394 1.0864 0.9881 0.8318 0.7396 0.9295 0.5612 0.9570 0.8695 1.0000 0.8111 0.7552 0.9951 0.8807 0.8547 1.4533 0.9650 0.6265 glycine conjugate of C10H12O2* 0.6951 0.7618 1.2237 1.7201 0.4836 1.0407 0.4836 3.3906 0.8882 0.7391 0.4836 1.0907 0.4836 1.4432 0.4836 1.4411 2.5084 0.4836 1.3333 0.4836 0.4836 0.4836 0.4836 0.4836 0.4836 0.4836 0.8746 0.4836 0.4836 0.4836 1.1546 1.2602 0.4836 0.9693 0.8184 0.4836 0.9674 0.7770 1.3215 0.4836 0.4836 0.5304 0.6277 1.5888 2.8880 0.4836 0.7907 3.1659 2.4110 1.0233 1.7277 0.7059 0.4836 0.4836 0.4836 0.4836 0.4836 0.4836 0.5193 0.4836 0.4836 0.4836 0.4836 1.2136 0.9303 0.4836 0.6830 0.8393 0.4836 0.4836 0.4836 0.4836 0.6492 0.4836 0.4836 0.9767 0.4836 0.7573 0.4836 0.7441 0.4836 0.7619 2.2730 0.5904 0.4836 0.7087 0.4836 1.0249 1.2029 0.4836 1.1255 0.4836 0.4836 0.4836 1.5586 1.0315 1.1309 0.4836 0.4836 0.4836 2.1228 1.3693 0.4836 0.7336 0.4836 0.4836 0.4836 0.8189 0.7423 2.0901 1.2946 0.4836 0.8516 0.6995 0.6811 1.7351 1.7831 0.7885 0.4836 0.4836 1.2153 0.4836 1.4403 1.1536 0.4836 0.5438 0.7270 0.8260 1.6866 0.5310 0.4836 glycine conjugate of C10H14O2 (1)* 0.7828 0.8716 1.4924 2.9013 0.9425 1.2967 0.5761 4.4011 1.5063 1.4850 0.7161 1.3978 0.8517 1.9841 0.7542 1.9193 3.2067 0.3643 1.3402 0.9054 1.0880 0.7327 0.7093 1.2253 1.1447 0.4538 1.1724 0.7543 0.3762 0.5434 1.3414 2.0071 1.2847 1.2275 1.1441 0.6656 1.3787 1.1522 1.3621 0.5178 0.7154 0.6809 0.8123 1.4405 2.9218 0.3273 1.6906 3.6696 3.5127 1.2654 2.3387 0.9208 0.1909 0.3853 0.8159 0.7678 0.1909 0.3658 0.8681 0.1909 0.7137 0.8925 1.0010 1.4306 1.4780 0.5780 0.9025 1.0316 0.5320 0.6134 0.8634 1.2309 0.9990 0.3426 1.0032 1.2081 0.7359 1.1053 0.8256 0.8260 0.6697 0.9825 2.0301 0.8124 0.1909 1.2555 0.4019 1.2375 1.7648 0.6826 1.7385 1.0052 0.3671 0.2875 3.0946 1.0364 1.3117 0.6926 0.8386 0.8611 2.8880 1.4106 0.4752 0.7330 0.7067 0.7636 0.3659 0.8380 1.1219 2.5068 1.8678 0.7687 1.4696 1.0637 1.0682 1.8089 2.1178 1.1714 0.2989 0.5770 1.5261 0.6111 2.0609 2.1208 0.6862 1.0022 1.4133 0.7800 2.0306 0.6803 0.4840 glyco-beta-muricholate** 0.2613 0.2613 0.2613 0.6337 1.2401 0.3059 1.3953 1.3434 0.2613 1.5472 6.1205 3.8478 4.2924 2.4718 0.2791 0.2613 0.2613 11.0334 0.2613 0.3885 0.9697 1.1361 0.2613 0.3030 0.2613 0.4064 11.8552 0.6699 4.0556 0.2613 0.2613 0.3472 0.2613 0.2928 0.2613 0.2613 4.1186 0.3095 0.2613 2.2973 0.2613 0.6228 0.2613 0.2795 3.1032 1.3719 1.3732 0.3783 0.7211 0.2613 1.2123 2.3893 0.2613 0.4131 0.4600 0.3826 4.5179 0.2613 0.3124 1.7623 1.7377 1.1167 1.1199 0.6317 1.6462 0.2613 2.2356 1.0000 2.0112 0.7253 0.9778 0.6211 0.2613 1.4015 0.7119 1.4098 1.5764 0.7362 0.5728 0.4610 0.4897 0.2613 1.9293 0.2613 0.6727 2.2157 1.2060 1.4455 0.6484 1.0185 0.6411 0.8108 1.4356 1.5415 2.2517 0.6912 0.4420 0.4114 0.3322 0.4518 0.2613 1.5249 0.2613 1.3426 0.2613 0.2613 0.3704 1.1305 0.3381 0.6951 0.2613 1.8492 0.2613 0.2613 1.2991 11.6802 0.5963 0.3913 0.9180 3.8575 12.3811 0.3834 0.8086 0.2613 0.6362 0.7762 0.2613 5.1829 1.5720 0.2613 0.2613 glycochenodeoxycholate 1.3309 2.9576 0.4341 1.4448 2.4969 0.6658 0.4687 1.9714 0.4338 3.5948 3.4613 4.0279 1.0759 8.9521 0.1251 1.0270 7.7036 1.0559 0.6516 2.2779 0.9937 1.6171 1.4962 0.1407 0.2399 1.4239 3.2440 0.7789 5.8259 1.4277 1.6558 0.7236 3.7315 0.6459 1.0664 0.3397 0.0699 0.5161 0.6407 1.5275 2.8272 1.6546 0.0699 0.5712 3.0159 0.5871 0.5085 1.0191 1.2867 2.6965 1.1094 1.3464 0.2536 0.4334 0.2815 0.3755 0.9045 0.4999 0.2838 0.8265 1.5018 1.1525 0.1525 1.3503 1.8656 0.2032 2.3501 0.4906 0.6855 0.6644 0.3090 0.1057 0.1810 4.9104 1.3698 1.4745 0.7426 0.4310 0.3104 0.4762 1.5284 0.5632 0.6402 0.4077 1.7530 2.1228 0.7965 0.3197 0.6736 0.3788 0.4236 0.7572 6.3148 1.0787 3.1109 1.0063 0.7799 0.6602 0.4177 2.0490 1.5414 3.3615 0.4369 1.5087 1.4096 0.3920 0.6702 2.3446 2.6468 0.5466 1.6397 0.9437 1.9777 0.7343 1.6094 8.4084 0.1719 3.6184 2.1427 2.2856 3.6250 0.8554 0.6798 0.4639 0.2574 1.9416 0.3916 3.0158 4.7792 0.3764 0.4989 glycochenodeoxycholate 3-sulfate 0.3347 1.1018 0.3111 1.3664 3.1136 0.4967 0.5353 3.3722 0.8965 3.1128 2.3298 3.0719 1.6538 6.7214 0.1384 0.9233 8.3546 1.8180 1.3390 1.2764 0.4732 2.2636 7.7130 0.1384 2.2036 1.1427 1.2598 0.9322 9.4783 7.6888 1.0706 0.6400 1.8116 0.9273 1.6288 0.5380 0.1883 0.4738 0.4569 1.5272 1.0252 0.3112 0.1810 1.1115 2.6025 0.1384 0.4799 0.1384 1.5506 7.0714 1.3277 0.5995 1.4350 1.4062 0.5426 0.2048 0.8149 0.4900 0.2292 1.2875 0.6339 1.0051 1.4587 2.3784 0.4877 1.3246 1.0384 0.8310 0.9545 0.5319 0.5866 0.1384 2.2676 1.5194 0.5532 2.0711 4.6140 0.6824 0.4772 0.5631 0.5710 1.9949 2.2663 0.7630 2.5664 1.9674 1.0418 0.1384 0.4235 0.2523 0.3927 0.4933 0.9847 0.4233 1.3639 0.3262 1.6052 0.4682 0.4186 0.9659 0.9992 2.8694 0.2064 0.9176 0.3529 0.3516 1.3383 0.7287 1.7635 0.3721 1.3031 1.7532 0.5256 0.4417 0.5397 4.7794 0.8164 2.9793 2.2620 3.2690 1.0008 0.4325 1.8147 0.8763 0.3500 1.0050 0.7535 2.0667 0.5702 0.4177 1.4850 glycochenodeoxycholate glucuronide (1) 0.4100 0.4683 0.2583 1.4109 1.0681 0.4786 0.7006 3.2429 1.0249 4.6279 1.2457 7.5108 0.6198 2.1740 0.4080 0.3245 2.1273 2.0344 1.0559 0.9041 0.9338 7.5231 1.5741 3.5168 0.9082 0.8563 1.2746 1.1645 1.0000 1.6169 0.6338 0.5169 1.7543 0.7567 1.2618 0.7339 0.3818 1.5201 0.2270 1.3475 1.9064 1.3434 0.3679 1.2450 32.7095 3.4274 0.9697 1.8342 1.4762 2.4372 1.3064 0.8000 1.2811 0.5977 0.1764 0.2844 0.7525 0.2077 0.6148 0.3629 0.4132 0.2403 0.1595 1.8640 0.9918 0.1816 0.9364 1.3359 0.9631 1.7013 1.3261 0.1595 0.6460 0.1595 0.1595 1.3196 2.8498 0.3636 0.1595 0.8131 1.5713 1.0644 2.4151 0.6658 3.8331 4.4387 0.4229 4.4389 1.4460 0.4693 0.1595 7.2232 0.5160 0.3320 2.0907 3.7794 1.6471 2.4204 0.9688 0.5940 0.3876 24.3676 0.2212 1.3874 0.7300 0.9244 0.7372 0.7489 1.2245 1.3752 0.4504 1.2562 0.4839 0.7206 3.6788 2.4418 0.8818 1.6747 2.3601 8.7153 1.5543 1.0620 0.7295 0.5333 0.4532 0.8438 0.5148 0.8296 0.1899 0.1595 3.7754 glycocholate 0.8393 1.4785 0.4366 0.7144 1.0000 1.2383 1.2929 1.1151 0.9075 3.5992 3.4719 3.9781 0.5373 11.4014 0.2193 1.2995 5.2498 0.9809 0.8282 1.7881 0.3365 7.7939 3.1414 0.3677 0.2040 1.7448 2.2396 3.1351 2.3306 1.6677 2.3998 0.2798 1.3064 1.7686 1.3850 0.2347 0.5550 0.6129 0.8238 0.7939 2.7599 0.7515 0.2250 1.1420 6.7746 0.7494 0.5112 1.1998 1.4070 6.6402 1.4769 1.3931 0.2730 2.0949 0.3821 0.2575 0.3501 0.2261 0.1429 0.4445 1.2599 1.4032 0.1735 0.3809 2.5607 0.4923 1.6143 0.7700 0.5042 0.6538 0.1753 0.0846 0.1173 6.5030 2.0127 0.9880 2.0455 0.3052 0.1688 0.4813 0.2845 0.4152 1.7817 0.9331 3.6482 1.3824 1.2452 0.2167 0.6230 0.2418 0.2263 0.3131 5.1768 0.9177 2.8477 0.6458 0.5072 0.9268 0.3620 7.5009 1.0623 2.0566 0.2030 2.3550 1.1176 0.1459 0.5039 2.1223 2.5122 1.1224 5.2898 1.2895 1.6121 0.8785 1.2460 8.0927 0.2838 1.7418 2.7762 6.9447 6.6535 0.8758 0.3586 0.5476 0.6539 2.1175 1.0082 2.0761 1.3565 0.2172 0.6811 glycocholate glucuronide (1) 0.2215 0.2215 0.2215 0.2215 0.2215 0.2215 0.3988 2.0125 9.0470 2.1858 4.6908 0.5243 0.8806 0.2215 0.6727 0.2215 0.2215 1.3762 0.2215 0.2215 1.7262 1.6542 0.2215 1.1223 0.7011 0.2215 0.6244 0.8653 0.2215 0.2215 0.2215 0.2215 0.2215 0.2215 0.7706 0.3621 0.2215 0.2215 0.2215 2.3922 0.2215 2.5686 0.8220 0.2215 2.7285 2.3948 0.4820 0.2215 0.4844 0.6073 12.8092 0.5830 0.2215 0.6004 0.2215 0.5488 0.2215 0.2215 0.2215 1.2403 1.7798 0.2215 0.2215 0.2215 2.4705 0.2215 0.2215 0.6147 0.2215 1.4824 0.5734 2.7131 0.2215 0.2215 0.2215 0.2215 2.4432 0.2215 0.4012 0.2215 1.2873 0.3698 0.2215 2.0093 0.6341 0.5291 0.2215 0.9859 0.3576 0.2215 0.2215 1.4064 0.2215 0.2215 0.9285 0.6226 2.2201 0.6900 0.5484 1.0097 0.2215 1.2593 0.2215 0.2215 0.2215 0.8257 0.2215 1.3655 0.2215 1.0843 0.2215 0.2215 0.6216 0.2215 2.8374 1.3048 1.6456 0.9903 0.2215 1.3037 0.3546 3.6487 0.2215 0.2215 0.2215 0.2215 2.3205 0.2215 0.3844 0.2215 5.4173 glycocholenate sulfate* 0.8760 2.9410 1.1461 0.8719 1.3579 0.7090 0.6868 0.8763 1.3207 1.7519 1.4297 1.6935 0.5190 1.9689 0.2448 0.8327 1.0478 1.1836 0.9690 1.7954 0.7616 4.5410 0.9062 1.1552 2.8506 1.4358 0.9056 0.9536 1.0709 1.3238 0.6052 1.6583 1.5037 0.8124 1.2088 0.8408 0.5692 1.1568 0.8407 1.2231 1.9786 0.9360 1.2957 1.7427 2.4141 1.1041 0.6820 0.8908 0.9210 2.0011 1.8089 0.5594 0.2164 0.7613 0.3417 0.6170 0.5352 1.0205 1.0802 0.9548 0.6924 0.7159 0.8463 1.9178 0.8894 0.5578 1.6727 1.3225 0.7019 1.1383 1.1323 0.5755 0.4813 0.6773 0.5800 2.1707 0.8547 0.9125 0.8065 0.5758 1.1144 1.3118 0.6501 1.5839 0.9232 1.0149 0.6327 1.9855 0.6869 1.0000 0.5902 1.3308 0.8847 0.4670 0.9151 1.6602 1.7430 1.1317 1.3897 1.0465 1.4821 0.8707 0.6232 1.1651 0.8889 0.9857 1.7010 0.9342 1.1403 1.5983 0.8292 1.0471 0.8340 0.8448 0.9675 1.1777 0.7700 1.7028 1.3551 2.4170 1.3237 1.8399 1.0584 0.6239 1.2729 1.0362 1.6270 0.9639 0.8025 0.9690 3.1121 glycodeoxycholate 0.7972 0.0263 0.2607 0.0263 1.3297 0.7192 1.3348 1.6489 0.8334 5.1247 4.4587 3.1093 2.0971 6.4126 0.1669 0.6010 0.0263 2.0785 0.2881 0.6891 1.9649 6.6450 0.5183 0.5742 0.0263 0.5460 1.8539 0.3834 0.0263 0.0263 0.0263 0.8101 2.0276 0.5486 0.5384 0.5332 2.5851 0.5445 0.2521 1.1457 1.8858 2.5141 0.0263 0.4909 10.2870 1.3667 0.4675 0.2413 1.1963 2.1650 2.0719 2.0672 0.0263 0.7655 0.1885 0.5396 1.5236 0.0263 0.7705 0.4033 1.0027 1.1125 0.1615 0.0263 2.4139 0.2364 2.1972 0.5934 0.3088 1.1920 0.8718 0.2185 0.1263 0.0263 1.4008 0.8039 1.1901 0.3770 0.3453 0.2992 1.1455 0.2960 0.5444 0.4789 0.5148 0.7770 0.3205 1.2391 0.9973 0.3542 1.1726 1.3861 0.0263 0.6181 3.1742 2.7809 1.1992 1.8131 0.6657 2.5186 0.0263 4.4758 0.0263 0.8471 1.0694 0.5467 0.6603 2.4470 1.7452 1.9331 0.8334 1.0144 2.1561 0.1437 2.4266 7.8400 0.3362 2.5454 1.0255 3.0079 2.8390 1.5717 0.3843 0.0263 0.3635 2.0436 0.3919 1.4905 1.2042 0.4535 1.1753 glycodeoxycholate 3-sulfate 0.3218 0.0942 0.1298 0.6685 0.9374 0.4674 0.8893 2.6472 1.3817 4.7129 3.4641 5.4904 1.6409 5.7841 0.0942 0.7686 0.0942 2.3390 0.9028 0.3777 0.8454 8.6270 1.8752 0.9708 0.4190 0.4821 1.0948 0.4521 1.4670 0.8070 0.0942 0.6309 1.1827 0.7888 1.2623 1.3896 0.8848 0.3112 0.2388 1.7090 0.5090 0.9424 0.3529 0.8684 18.2030 4.1029 0.3492 0.4285 1.1219 4.4547 1.9913 0.8379 0.0942 1.2385 0.2424 0.6735 1.0421 0.0942 1.2723 1.2108 0.4104 0.7879 1.0867 1.1785 0.9665 1.3427 1.1130 2.0642 0.6419 1.3664 1.7543 0.2839 1.2114 0.1225 0.2755 1.4601 10.9897 0.9347 1.1994 0.7884 0.9432 2.5871 2.2343 1.7885 2.5433 3.5712 0.2309 1.8878 0.8965 0.1895 1.3241 3.0881 0.2781 0.4892 2.5065 1.8181 3.1692 1.1189 0.9994 0.3831 0.2653 7.5450 0.0942 0.7866 0.1574 0.4474 1.2491 0.9318 1.0998 0.9306 0.6562 1.6217 0.5300 0.1805 1.5086 3.2764 1.0538 1.8077 1.2734 7.3598 1.0096 1.0006 1.2996 0.0942 0.3759 0.9505 0.7101 0.7517 0.0955 0.4857 3.9292 glycohyocholate 0.3468 1.2921 0.3468 0.3468 1.1098 0.3468 0.3468 2.2157 0.3468 1.9866 1.6342 2.7226 1.0956 3.3122 0.3468 0.3468 8.7718 1.0000 0.3468 0.9018 0.3468 0.5871 0.8442 0.3468 0.3468 1.0796 1.4056 0.4602 3.0316 0.8054 0.3468 0.3468 0.3468 0.3468 0.3468 0.3468 0.3468 0.4525 0.3468 0.8345 0.5541 0.3468 0.3468 0.3468 0.3468 0.3468 0.3468 0.3468 0.6272 0.5473 0.7502 0.3468 0.6222 0.3468 2.2858 0.3468 1.2541 0.5090 0.3468 3.1832 1.4773 2.3457 0.9237 1.1431 2.0782 0.3468 2.1855 0.5506 1.1085 0.3468 0.3468 0.3611 0.3468 19.0300 2.1711 1.1493 2.1563 0.7319 0.4910 0.8656 0.4730 1.2474 3.0418 0.5325 3.1868 2.6673 2.2391 0.3468 0.3468 0.3468 0.3468 0.3468 4.4905 2.2263 1.7281 0.3468 0.3468 0.3468 0.3468 0.6811 0.7494 1.6089 0.3468 4.3615 0.4488 0.3468 0.4974 0.6026 0.6605 0.3468 0.3468 0.7549 0.6569 0.3468 0.8405 2.3863 0.3468 0.5190 0.9073 0.8966 3.2813 0.3468 0.7348 0.5999 0.3468 0.6101 0.3468 3.6784 0.7631 0.3468 0.3468 glycolithocholate 1.4606 0.2435 0.9414 0.2435 0.7704 0.5399 0.5973 1.0097 0.4321 3.5002 1.2253 0.9071 1.2720 1.9203 0.2435 1.7294 0.2435 0.8101 1.4899 0.2435 0.9909 1.5079 0.2435 0.4462 0.2435 0.4886 0.9975 0.2435 0.6995 0.2435 0.2435 0.4620 1.1378 0.2435 0.7959 0.4765 0.3832 0.2435 0.2435 0.2435 0.2435 4.4893 0.2435 0.2435 5.9991 0.9263 0.2435 0.2435 1.9745 0.2435 2.2343 0.9055 0.2435 0.2435 0.2435 0.6694 1.0696 0.2435 0.6667 0.7427 0.9595 0.2435 0.2435 0.2435 3.8419 0.2435 2.2129 0.5239 0.2435 1.7008 0.2435 0.2435 0.2435 0.4834 0.2435 0.2435 0.2435 0.2435 0.2435 0.3243 2.4475 0.2435 0.2435 0.5391 0.2435 0.5210 0.2435 0.7523 0.4577 0.2435 1.7306 1.0612 1.0025 0.2435 0.6917 5.7986 4.1245 2.7135 1.3336 1.6942 0.2435 2.7037 0.2435 0.3835 1.9121 0.7930 0.2435 2.3025 1.1311 3.1139 0.5213 0.4133 1.2066 0.2435 1.6622 1.4930 0.2435 4.5041 0.5559 0.9538 0.2435 1.4293 0.2435 0.2435 0.2435 8.6217 0.2435 0.2435 2.0547 0.4767 0.3135 glycolithocholate sulfate* 0.6276 0.0621 0.5094 0.7681 1.4275 0.5959 0.6724 1.7986 1.0090 3.3525 2.1020 2.4016 3.5458 5.8675 0.1832 1.8505 0.0530 1.6338 1.5461 0.3213 1.2337 8.6797 0.6977 0.9290 0.3843 0.3050 1.9909 0.3261 0.6554 0.2253 0.0764 0.5351 1.0588 0.4764 3.5435 1.3122 1.0347 0.3462 0.1921 0.5687 0.4209 1.7923 0.5614 0.8196 6.3065 4.3959 0.3647 0.3598 2.3923 2.2144 4.1120 0.7410 0.1176 0.5763 0.2838 0.8963 1.8843 0.0530 1.4090 2.7611 0.5727 0.6516 0.8775 0.5885 1.7631 0.9807 1.4925 1.4914 0.4580 1.8530 1.6617 0.3417 0.3689 0.3272 0.4387 1.3948 2.0226 0.5962 1.7157 0.3767 1.7858 3.4642 1.1752 0.9205 4.3367 0.8989 0.8880 1.6771 1.0083 0.3218 1.8538 1.2349 0.6732 0.2902 1.0888 6.3358 5.9134 1.4954 1.1027 0.9114 0.1335 2.6720 0.1825 1.2478 0.3757 1.0380 1.1334 1.2718 1.2434 2.1648 0.9168 1.8893 0.7483 0.1043 2.4251 2.2106 1.3319 2.0779 0.9917 2.1068 0.6954 2.0478 0.8582 0.1967 0.6919 2.7898 1.9233 0.7005 0.8246 0.4404 3.9761 glycoursodeoxycholate 0.5275 34.3929 0.7942 1.2565 3.4008 0.6786 0.4717 4.6965 0.1391 4.1347 5.7128 3.3996 2.4093 12.5787 0.1204 0.5059 7.1217 8.5297 0.9870 1.8873 1.1294 2.0666 1.1811 0.3129 0.1889 4.4724 1.4531 0.9941 9.7532 4.0283 4.8928 1.4862 3.0981 1.3998 1.7258 0.3174 1.7415 0.3900 1.4216 5.2211 8.1842 3.7103 0.0946 1.5560 2.7254 1.4359 0.4835 1.3421 0.4031 4.1802 0.7532 0.5417 0.0946 0.1553 0.3001 0.2526 1.0428 1.7389 0.1063 0.4241 5.6221 2.7776 0.0946 7.8115 0.6288 0.1905 1.3354 0.4820 2.2860 1.0059 0.9774 0.2916 0.7271 0.5139 1.9244 0.9029 0.3926 0.6383 0.2043 0.6114 1.5379 0.7108 0.8604 0.3734 0.5010 1.2503 0.5637 0.6751 0.1663 0.5986 0.3239 0.3677 7.5284 0.5386 1.4896 2.8391 0.1908 0.2462 0.2230 1.9649 4.3599 4.4084 0.0946 0.9303 3.0493 0.4748 0.8745 1.3001 3.0998 0.4442 1.2366 1.2217 1.1288 0.3294 5.5606 5.7029 0.5478 9.8207 0.9149 0.8688 2.0861 0.3466 0.3531 0.5040 0.1182 37.2520 0.8548 18.9214 4.8738 0.6460 0.2866 glycoursodeoxycholic acid sulfate (1) 0.1852 2.9051 0.1852 0.1852 1.1158 0.1852 0.1852 2.1996 0.1852 0.9739 0.6365 0.4722 0.1852 2.4108 0.1852 0.1852 1.2933 3.0200 0.5301 0.1852 0.2972 1.0000 0.9187 0.1852 0.1852 0.4168 0.1852 0.3631 4.4115 4.3839 1.8141 0.2777 0.9817 1.3010 1.5313 0.1852 0.1852 0.1852 0.4730 1.1883 1.2349 0.2465 0.1852 0.7304 2.6253 0.1852 0.1852 1.3118 0.1852 4.8082 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.5411 0.1852 0.1852 0.1852 0.1852 0.1852 3.7994 0.1852 0.1852 0.1852 0.1852 0.3112 0.1852 0.1852 0.1852 1.1267 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.6062 0.1852 0.1852 0.1852 0.1852 0.7219 1.0535 0.1852 0.1852 0.4411 0.1852 0.1852 0.1852 0.1852 0.1852 0.1852 0.4494 0.1852 0.1852 0.8717 1.4121 0.7296 3.3893 0.1852 0.5881 0.1852 0.1852 0.1852 0.1852 0.1852 3.7724 0.1852 1.9940 0.1852 0.1852 0.1852 guaiacol sulfate 1.6867 0.6069 0.1137 1.5365 0.3807 1.1485 1.2712 1.0160 1.6837 1.6607 0.6692 1.6823 0.7204 0.6215 2.6697 0.1534 0.8717 0.3540 1.7578 0.5877 2.1637 0.2202 0.5920 0.3338 0.1391 0.3273 1.4719 0.1833 0.1995 0.7598 0.9103 3.0749 0.9089 0.9681 0.6496 1.0795 3.4772 0.7665 1.0927 0.2710 0.4798 0.4142 0.4364 1.1467 1.4657 0.7434 0.6299 0.1281 2.3701 0.2360 0.9272 1.7058 0.7893 1.4890 3.7333 1.3029 1.1783 0.4875 1.7175 2.7942 1.1341 1.0966 1.6916 0.5944 0.7647 0.8552 3.0118 0.9547 0.6776 0.8270 0.8229 0.8795 0.2502 4.1713 0.2850 1.3953 0.3526 0.8918 0.5120 1.2895 2.5979 0.3633 1.3107 0.9955 1.4502 0.5920 1.2317 0.5650 2.0122 2.2237 1.7278 1.2311 0.9247 0.6569 2.4308 1.6942 0.8420 0.4928 1.3807 2.0542 1.1033 6.5533 1.2327 0.6563 1.6874 1.6813 1.0211 1.1071 1.1099 2.4426 0.3344 1.2348 2.9619 0.2488 0.5938 2.6362 1.1114 1.0000 0.7156 0.6940 0.7024 0.4591 0.9610 3.2621 6.5004 3.3386 1.8399 0.6914 3.7735 1.8445 1.5564 guanidinoacetate 0.3893 0.5440 0.0649 0.0649 1.1882 0.0649 0.0649 1.2182 0.0649 0.8545 0.0649 0.0649 0.0649 0.0649 0.0649 0.2929 0.0649 0.4867 0.0649 0.0649 0.0649 1.6075 0.0649 0.0649 0.0649 1.5834 0.0649 0.0649 0.0649 0.6746 0.0649 0.0649 0.0649 0.0649 0.0649 0.0649 1.1914 0.0649 0.0649 0.1548 2.4759 0.8362 0.0649 1.3288 0.0649 0.7742 0.0649 0.1411 0.0649 0.0649 0.0649 1.3584 0.9564 2.9586 0.0649 0.0649 1.7741 0.0649 0.0649 2.9433 0.0649 0.7713 0.7771 2.1241 0.3471 0.6933 0.5405 0.4807 4.4045 0.0649 1.4270 0.8536 0.3765 2.3810 0.6324 1.4223 2.1747 0.3209 1.5330 3.0495 1.2190 1.1494 1.3701 1.4913 0.8899 0.8843 1.0000 0.0649 0.0649 0.0649 1.3755 0.0649 0.5117 0.0649 1.6734 1.1072 0.0649 0.0649 0.0649 0.0649 0.0649 0.0649 0.0649 0.8373 1.7561 0.0649 1.5530 1.5335 0.0649 0.0649 0.0649 1.4566 0.0649 0.2458 0.5154 1.3857 0.2831 0.4731 0.6738 0.0649 0.0649 0.0649 2.3783 0.0649 0.0649 0.0649 0.2911 0.0649 0.0649 0.0649 0.0649 guanidinosuccinate 0.6908 0.4807 3.3585 0.4439 0.6691 1.0256 1.5166 1.0425 0.2804 0.5530 1.0012 0.2804 3.2462 0.2804 1.0795 4.6063 0.7653 0.3826 8.0302 0.6187 0.7761 0.2804 0.2804 1.0684 0.6771 0.2804 3.5479 2.0056 0.3551 0.9988 1.2597 0.8966 0.2804 0.2804 0.2804 2.4022 0.6732 0.3141 0.7852 0.2804 0.2804 1.4774 0.7314 0.2804 1.3845 0.6112 2.3840 1.3889 4.1739 0.9905 0.2804 1.9046 0.2804 1.5042 3.4431 1.8070 2.2848 1.1486 2.3884 0.2804 0.2804 1.3291 1.2919 0.6715 0.6372 0.2804 0.7072 2.1618 0.2804 0.2804 0.2804 0.3362 1.1364 0.8565 0.2804 0.2804 1.7805 0.5894 1.3714 0.7982 0.3215 1.5115 0.9955 2.9852 0.9602 0.4160 1.5027 0.7737 0.5121 1.2547 1.3954 0.6556 2.2484 0.9473 0.2804 0.3362 0.7849 0.3783 0.2804 1.0343 0.2804 1.0059 0.2804 0.5041 1.2639 0.2804 0.4928 0.2804 1.6456 0.5900 0.2804 0.2804 1.7679 1.0288 0.3315 0.3429 3.6762 1.5745 0.2804 0.2804 0.2804 0.3779 0.3542 2.3466 0.5926 0.5050 1.5875 0.3797 0.9268 1.2507 0.2804 gulonate* 1.6343 1.0349 1.0155 0.8041 0.6785 1.2653 0.9325 1.5386 0.9494 1.3651 0.9488 1.2954 0.8190 1.1568 0.8024 2.6328 1.8070 1.0077 2.2268 1.0898 1.1500 0.8346 1.1249 1.4091 0.9688 1.3030 1.4189 0.8527 0.8351 1.1286 1.0062 1.4193 1.4329 1.3699 1.2908 1.0000 1.0000 0.8723 1.4851 0.8290 0.9604 1.2839 0.9852 1.0343 2.0305 1.0131 1.1391 1.0171 2.7300 1.5223 1.6048 0.6464 0.6908 0.8304 0.8262 0.8280 0.9559 1.0971 0.7862 0.7867 1.0716 1.5845 0.9223 0.7723 0.7340 0.5941 0.7497 0.7881 0.5703 0.4964 0.7557 0.9268 0.7136 0.6312 0.5299 0.6863 0.5719 0.9522 0.6856 0.7988 0.8393 0.8022 1.0539 0.9822 0.9081 0.7496 1.0089 0.8950 0.9100 0.9187 0.9142 0.6029 1.0115 0.5380 0.6814 1.0173 1.0470 1.5442 0.9798 1.3812 1.3315 1.3582 0.8677 0.9494 1.0664 1.3014 0.7003 1.1643 1.0271 1.5268 1.0807 1.8022 1.2172 1.4598 0.6666 1.6202 1.7608 1.1788 0.7669 0.8856 0.7412 1.3069 1.0233 1.2162 0.8299 1.0529 0.9334 1.5441 1.6003 0.8673 0.9633 heme 0.8731 0.5580 0.1617 2.1135 0.1617 5.4180 0.6813 0.5165 0.1617 2.1666 0.1617 0.4385 2.1275 9.0699 0.1617 94.6453 1.1970 1.0477 1.9255 23.1528 0.1617 0.3187 28.8995 5.2133 0.1617 47.2917 0.1617 1.2667 0.1617 0.1617 0.9096 0.8904 1.0631 0.7287 0.3915 0.8182 0.1617 1.3774 0.3683 4.8574 0.1617 2.4225 1.0849 1.1446 0.1617 0.8580 0.5328 0.7620 0.3451 0.8937 0.8182 0.5303 0.3369 0.4535 0.5979 1.0079 1.4919 0.6227 2.2388 13.4298 35.3232 8.7029 1.1065 0.4548 1.0658 0.9768 0.1617 0.2582 0.1617 1.6028 2.6540 38.2106 2.6938 0.1617 0.1617 0.8937 0.7324 14.5103 0.1617 0.3097 0.3022 0.7946 0.1617 0.1617 0.3554 1.0000 0.1805 3.5450 0.8191 0.1617 0.1617 0.3695 0.2884 2.4492 0.1617 0.1617 1.4621 3.0491 2.0023 2.1613 132.2399 0.8865 2.1471 1.1153 0.7908 0.7447 0.7698 0.2035 0.1967 6.6549 1.2992 41.1153 0.3195 1.1256 0.1617 0.1617 0.2461 2.3101 0.4197 0.1617 0.1617 14.4309 0.1617 1.6848 0.5196 0.9101 0.2121 2.6145 0.2613 0.6290 4.8115 heptanoate (7:0) 0.5009 1.1700 0.7652 0.5320 2.2590 0.6231 1.4599 0.9747 1.0872 1.3309 0.8135 0.7042 0.9558 0.8080 1.4400 0.8044 1.1781 0.8952 0.5009 0.5009 1.6278 0.5009 1.4681 1.3057 0.5380 0.5009 0.7544 0.7179 0.5009 0.5918 1.1584 1.4910 1.5038 1.9564 0.7424 0.7241 0.5696 0.5009 0.5009 0.8852 0.5009 1.3402 0.5009 1.0332 2.2411 0.5009 0.9232 1.8116 1.2930 1.1307 1.0740 0.7718 1.1317 1.3192 1.2810 1.3610 1.0306 0.6366 0.9623 0.6809 0.9097 1.1147 0.9640 0.5009 1.1778 1.1744 0.6500 1.0389 0.5009 1.6806 1.1654 1.1848 0.5009 0.7750 1.1121 1.2395 0.7514 0.6012 0.9689 0.8718 0.7900 1.0542 1.0753 4.2317 1.0244 0.5009 1.1071 0.7968 1.4357 0.5009 1.0681 0.8628 2.4989 1.3435 0.9977 0.9379 1.4910 0.5009 0.8896 0.8959 0.6533 0.7640 0.7490 0.8031 0.5009 0.8084 1.4497 1.2938 0.8084 0.9741 0.8273 1.0493 1.0171 0.5009 0.7043 1.1471 0.5009 0.5009 0.9067 0.9528 0.9840 0.6087 0.5009 0.8646 1.0492 1.3565 0.5082 1.0349 1.0023 0.8057 1.1687 heptenedioate (C7:1-DC)* 0.6266 1.4389 1.0687 0.6174 1.3722 0.7080 1.3093 0.7796 1.0532 0.9265 1.8886 0.7054 1.4832 1.0000 1.0059 1.9306 1.4882 1.1762 2.4429 0.8563 0.6216 1.0343 1.2632 0.8894 1.1016 0.7751 2.4505 1.3710 0.7738 0.8311 1.0903 1.0095 0.5863 1.4406 1.2108 1.3883 0.6799 1.2233 1.2810 0.7701 0.7141 1.2961 1.3270 2.0585 1.3814 1.3147 1.0510 0.4952 3.0761 2.5242 1.4247 0.6648 0.6577 0.8619 0.5601 0.8944 0.4724 1.8629 0.9734 0.0830 0.7610 0.4669 0.9432 0.5774 0.5775 1.0347 0.4936 1.1342 0.9381 0.6595 0.4981 0.5905 1.2338 0.9709 0.3537 0.7320 2.3369 0.6906 1.1603 0.3043 0.7551 1.3533 0.8655 1.8711 0.8166 0.8442 1.3062 0.6968 0.4621 0.4277 0.8395 0.5049 0.6717 0.3621 0.3859 2.8409 0.5260 0.9688 0.8497 2.0969 0.9586 1.7457 1.0632 1.1397 0.8619 0.7738 1.4014 0.9159 1.4188 1.2656 1.6775 1.1718 2.0953 1.3378 1.8785 2.9031 0.7393 1.9270 0.8973 0.7138 0.5486 1.4027 1.9062 1.5757 0.6751 1.2901 1.1319 1.7823 2.2918 2.3811 0.7676 hexadecadienoate (16:2n6) 1.5759 1.0285 1.4824 0.8924 1.1902 0.7206 1.0681 0.8197 0.9363 1.8628 2.6653 1.2035 2.2667 2.0547 1.4885 1.0578 0.1551 0.9396 0.4404 1.9194 0.7089 1.3999 1.6428 0.7024 1.1565 1.5115 0.7399 0.9819 0.5503 0.5029 0.7749 0.5292 1.3853 1.1481 0.7313 0.7847 0.5078 0.5188 0.7655 1.0680 0.3082 1.6107 0.7357 0.7124 0.7114 0.4995 0.4554 2.2989 0.3783 1.0404 0.5400 0.1961 0.7681 0.3866 0.2985 1.4491 0.6383 1.1658 0.9943 0.8774 0.5154 1.4037 0.9314 0.5837 1.4199 0.5690 1.2793 1.0165 0.3543 2.0750 1.4183 0.9662 0.7274 1.1357 0.9666 0.1099 1.4201 1.3714 1.5388 1.2553 1.3590 0.9462 1.3280 0.5279 0.4695 0.2126 0.6050 0.4501 0.5208 0.2504 0.3361 0.2834 0.3981 0.2957 0.0765 1.9064 1.6716 0.9151 1.8809 1.1447 2.2273 0.3180 1.3206 1.3806 1.3088 1.1274 1.6983 2.0443 0.9391 1.6697 2.7947 1.4335 1.3299 1.0000 1.5818 2.1587 0.7881 0.9038 1.2902 1.1302 1.2841 1.3086 0.7131 0.8586 0.9355 1.2136 1.2639 1.6121 4.0990 1.0230 1.5006 hexadecanedioate (C16-DC) 1.0994 1.5189 1.2289 0.6947 0.9421 1.3334 0.6734 0.9662 0.6608 1.0229 2.7962 1.5364 1.0939 1.8741 0.5299 1.1225 0.5901 0.8168 0.7496 1.5567 0.5583 2.1456 1.6934 1.7224 2.6286 1.0858 0.8653 1.7434 1.0793 1.0639 0.6859 0.5448 1.3379 0.9142 1.6582 1.4236 0.5952 0.5175 0.8711 1.5458 0.8333 1.3757 1.3038 1.8409 2.4613 1.9113 0.8222 14.6156 0.6664 1.4064 0.9899 0.3002 0.7508 0.7689 0.3579 0.7066 0.4216 1.0253 1.1938 0.6240 0.6530 0.6085 0.8560 1.7589 0.6896 0.9110 0.3687 1.0597 0.4504 0.8813 1.4728 1.0486 0.9477 0.6297 0.4268 0.7871 3.1213 0.9043 0.6961 0.4025 1.1676 1.6476 1.7809 1.6265 1.8649 1.3001 0.7587 1.0909 0.5640 0.4299 0.7508 1.0000 1.0472 0.3390 0.6773 1.8988 1.6661 1.0146 1.0707 0.7640 0.6282 1.2203 0.5424 1.9861 0.5417 0.7611 1.7700 0.8332 0.6596 0.7909 1.0711 1.1402 0.6709 1.7908 0.7843 1.4700 0.4500 0.5795 0.8971 1.5276 1.0356 1.6258 0.9414 1.5635 0.6200 1.7624 1.1794 1.1276 0.9674 1.0616 1.3550 hexadecasphingosine (d16:1)* 0.8851 0.2317 1.3670 0.2317 0.2317 0.2317 0.2317 0.7075 0.7658 0.3874 0.5952 0.9281 0.6523 1.2086 1.1943 0.9772 1.1249 1.3749 0.3135 1.4058 0.7253 1.6859 4.3823 0.5963 1.0273 1.0266 0.8763 1.5719 1.0033 1.6071 1.7400 1.6303 1.9706 1.7160 1.7542 1.3611 1.6264 0.7393 2.0130 0.2317 2.2309 1.4917 1.7890 3.3156 1.5411 1.1369 1.4748 1.3186 0.8498 3.4141 1.2573 2.4788 0.5987 0.2317 1.1713 0.2317 0.4490 0.5030 0.2317 0.2317 0.6429 0.2317 1.8133 0.5440 0.2317 0.4884 0.5983 0.2317 0.2317 0.2317 0.4849 0.2317 0.2867 1.6125 0.2317 0.8499 1.0726 0.2317 1.0000 1.0467 1.3891 0.2317 0.2317 1.1810 0.2317 0.2317 0.3048 1.5191 0.7996 1.5775 0.2317 0.2317 1.0047 0.2317 0.2317 0.2317 0.4102 0.6811 0.6165 0.6109 0.2317 0.4200 0.2317 0.2317 0.2959 0.2317 0.2317 1.0071 2.1333 0.2317 1.1400 0.2317 0.4832 0.5863 0.2317 0.2958 0.2317 0.3855 0.2317 0.7426 0.2317 0.4471 0.8315 0.2317 0.8032 0.4544 0.2317 0.2317 0.3171 0.6990 0.4221 hexadecenedioate (C16:1-DC)* 0.8657 1.1525 0.8382 0.8372 3.6459 1.2498 0.6126 1.9958 0.4879 1.6492 2.6178 2.0630 0.7306 1.5945 0.4669 0.7398 0.8507 0.6143 1.0942 1.4802 0.5580 1.2948 1.2440 1.3551 1.3309 1.0417 0.8311 1.3085 0.9571 0.8111 0.9079 1.1587 1.6695 0.6619 0.9418 1.0128 0.5268 0.6829 0.5412 1.0748 1.1036 0.9850 0.9098 0.8975 2.7710 0.8656 1.1470 10.6281 1.1357 1.2394 1.2579 0.7878 0.6958 0.6747 0.3560 0.7744 0.5053 1.0475 1.1645 0.8770 0.5788 0.7233 0.5212 2.2928 1.1973 1.0052 0.3966 1.3982 0.6477 0.8253 1.2121 1.2810 1.4248 1.0372 0.3363 1.0909 2.0872 1.0137 0.8055 0.6963 1.0408 1.3234 1.5701 1.6602 1.7708 3.6675 0.8896 1.6603 0.4797 0.3983 1.2143 1.7785 1.8430 0.5098 2.2330 1.6266 0.9469 0.6717 0.8123 0.6719 0.9248 2.4849 0.6270 1.5182 0.5418 1.7619 1.3673 0.7699 0.6922 1.0000 0.8020 0.8738 1.1457 1.3122 0.6274 1.6539 0.8400 0.4466 1.1180 0.8514 0.9762 1.0321 0.7613 1.1138 0.4705 1.2604 1.1112 0.8615 1.2079 0.8102 0.8859 hexanoylcarnitine (C6) 1.0580 1.6507 1.1386 0.9967 1.1723 1.1535 1.1236 0.7824 0.8605 1.1049 1.1993 0.6236 0.8294 0.8964 0.8470 1.0427 0.5772 0.9208 1.2987 0.7334 0.9228 1.0065 1.1578 0.5913 1.0305 1.0744 3.4307 0.7336 1.0424 1.0049 1.5100 0.8260 1.0780 3.0668 2.0032 1.0860 1.2002 0.9642 1.1203 1.6041 0.6890 0.8268 0.9614 1.4469 1.3331 0.7329 0.9567 0.4109 1.0447 1.1164 2.7772 0.4491 0.3966 0.6212 0.3929 0.9628 0.4816 1.1258 0.9257 0.4408 0.5837 0.6939 0.7674 1.3030 0.6253 0.8753 0.7521 0.7583 0.4163 0.5175 1.4616 1.3057 1.0143 1.6365 0.7843 0.5215 0.3441 0.6732 1.3459 0.4631 0.5976 0.7759 1.1428 0.9802 0.5943 0.7758 1.1942 0.6772 0.6342 0.7354 0.7531 0.5384 0.6437 0.8814 0.4118 1.8157 6.1229 1.0103 1.7511 1.5199 0.8911 1.4007 0.9749 1.8357 0.8016 1.6550 1.0560 1.1611 1.0577 2.0430 1.1744 1.0607 0.7798 1.2496 1.3786 1.9267 1.2009 0.9213 1.3154 0.6943 1.5663 1.4157 1.0562 0.7226 1.0000 0.9867 1.0598 1.2426 2.5394 1.4146 0.5670 hexanoylglutamine 4.9663 4.1179 1.0035 0.4225 0.6864 1.1166 2.2057 0.9869 2.4211 1.6708 3.2992 0.2902 1.8197 3.3960 0.6853 2.1575 1.3399 1.3092 1.2418 0.8325 0.2032 1.1059 1.0002 1.7218 2.6015 0.3952 1.4257 2.1744 2.0348 1.1479 1.7138 0.2663 3.7175 1.9536 2.3689 1.8938 1.1066 0.6113 1.6206 1.9877 0.3604 1.0300 1.9562 2.7418 1.4533 1.7483 0.9679 0.6302 0.5468 2.0814 0.5622 0.2602 0.3338 2.2085 0.3390 1.7105 0.2032 0.8376 0.7275 0.2797 0.2518 0.4215 1.4010 1.4955 0.4550 0.2905 0.4932 0.3116 0.2032 0.3012 0.5070 0.7807 1.6955 0.2032 0.4760 0.2275 1.5807 0.6668 1.0344 0.2763 0.3925 1.2361 1.7342 1.2351 0.6481 0.3665 1.9480 0.3328 0.4525 0.3971 0.6254 0.3227 0.4667 0.6374 0.2165 2.9224 1.0211 0.7278 0.6060 1.6507 0.7151 0.4239 0.2483 0.7792 0.3365 0.9088 1.5990 0.5088 0.4355 1.2876 0.8148 1.3459 0.5936 2.6716 1.9387 2.1281 0.8204 1.1906 0.6095 0.7210 1.0236 1.0020 1.6106 0.7835 0.7008 1.7057 1.0339 2.4369 1.7126 0.9998 0.9222 hippurate 0.9821 0.2933 0.1504 1.5732 0.4847 1.7676 2.2020 13.0372 1.1496 1.3732 0.4481 0.9926 0.4687 0.3554 1.6712 0.9014 0.9568 0.1499 0.3738 0.5722 1.2714 0.4244 1.3326 0.7377 1.0220 0.3884 1.2495 0.2402 0.1321 0.7337 0.7251 6.7156 0.3735 0.4634 0.3633 0.4827 0.9128 0.8643 0.8654 0.2170 0.1969 0.3147 0.1825 0.5393 1.2968 0.5083 1.3589 0.1196 2.1194 0.2051 0.8049 1.5180 1.1254 1.3484 2.5535 4.4195 1.4139 0.6235 1.8809 0.2159 0.4968 2.0813 1.8829 0.5162 0.9151 1.2355 5.4178 1.0019 0.7902 2.5598 0.8891 0.1849 0.8541 5.5535 0.6942 3.4196 0.6146 1.8835 2.5801 1.7473 1.7621 0.8220 1.3519 0.6601 1.5810 1.6109 1.2010 0.7990 3.8324 1.9046 0.7200 2.4160 1.0620 0.8053 1.1209 0.9926 0.3020 0.6732 0.5920 1.0990 1.8172 3.1077 2.4693 1.4515 1.8740 1.2642 0.6259 1.0148 1.5695 2.3923 0.9161 1.1072 4.3568 0.2477 0.3674 1.9405 0.3379 1.0000 1.6971 2.6552 1.1369 1.3328 1.3137 0.9722 19.0276 1.2134 0.8284 0.6410 4.1714 0.7961 2.1544 histidine 0.9737 0.7597 0.6451 0.7187 0.7587 0.8256 0.8486 0.8905 0.7688 1.0864 1.0569 1.1592 0.8909 0.6976 0.8281 0.8606 0.9255 0.9629 0.7906 0.9483 0.8284 0.8560 0.9519 0.8828 0.6817 0.8777 0.9534 0.9252 0.9542 0.7493 0.7288 0.9514 0.8684 0.8112 0.6884 0.8466 1.0753 0.8440 0.7933 0.9102 0.9854 1.0762 0.9451 0.8077 0.7611 0.9252 1.0106 1.0304 0.9112 0.7070 1.0781 1.0254 1.1077 0.7704 1.2679 1.5286 1.1843 0.8600 1.0142 1.1933 1.0384 1.0825 1.2183 0.8843 1.1368 1.1487 1.2026 1.1896 1.0533 1.5653 1.3093 1.1578 0.8152 1.3365 1.3832 1.1111 1.0080 1.1413 1.1948 0.8455 1.1227 0.9888 1.0472 1.1547 1.0868 1.1873 1.0881 1.3272 1.2384 1.2963 1.0724 1.6344 1.1243 1.2154 1.4131 1.0201 0.9337 0.9520 1.1970 1.0284 1.0835 0.9367 0.9671 1.0643 1.0351 0.8753 0.8758 0.9106 1.1564 1.0272 0.9398 0.9481 1.3208 0.8283 1.1289 1.0688 0.8384 0.7745 1.0000 1.1776 1.0071 1.0915 1.1780 0.9309 1.0007 0.9312 1.0764 1.0081 1.1435 0.9672 0.9125 histidine betaine (hercynine)* 0.1722 0.3117 1.0213 0.1722 0.1722 0.1722 0.5808 0.6335 0.1722 0.9779 0.1722 0.5499 0.4308 0.1722 0.1722 1.9914 0.5901 0.1722 1.3150 0.6593 0.3880 0.1722 0.3040 0.1722 0.1722 3.7607 0.9700 0.1722 0.1722 1.8580 1.8412 0.1722 0.1722 0.1722 0.1722 0.1722 0.1722 0.1722 0.1722 0.1722 0.5683 0.1722 0.4304 0.6118 0.1722 0.1722 1.2988 0.4343 0.6585 0.1722 0.1722 0.1722 1.8405 1.4285 0.1722 0.4752 11.8794 0.6292 0.5825 0.9787 1.1415 0.1722 0.7528 0.4310 0.8943 0.1722 2.8884 1.6360 1.0348 1.0558 0.5426 0.4476 0.6069 0.8823 1.1440 1.2144 0.2282 0.1722 0.1722 0.7258 2.6002 0.1722 0.3334 0.1722 0.4520 1.8635 1.9784 4.2207 1.9851 1.2981 1.2778 0.1722 0.2394 1.4335 0.6616 0.8434 2.0855 0.7153 0.1722 0.1722 4.5787 1.7853 0.4010 0.1722 1.0400 1.2229 1.2243 1.5063 1.7366 0.7596 1.1978 1.2093 0.1722 0.8859 0.7114 1.7573 1.7259 0.7761 0.9721 0.5925 1.1252 0.1722 0.1722 2.1032 2.2336 1.8332 1.4692 2.5100 0.3891 0.1722 2.1483 homoarginine 0.4161 0.9670 0.7824 1.4693 1.3898 0.5053 1.0159 1.5742 0.9549 1.3500 1.2492 1.1337 1.0333 0.7665 1.1697 0.6242 1.5767 1.9106 0.7461 1.1299 0.8636 1.4394 1.8154 0.9261 1.1826 1.1026 0.6851 0.8255 1.2786 1.4619 0.7561 0.6943 0.7463 1.1816 0.8179 1.0344 1.1718 1.2752 1.0807 1.3828 1.3205 1.0128 1.2809 2.2708 0.8549 2.0923 0.5726 0.4770 0.7942 0.9035 0.7555 0.7206 1.0748 0.4866 0.3402 0.8425 0.3851 0.4187 0.7854 2.3941 0.7685 0.8276 0.5814 1.7954 0.7233 1.4103 0.9802 0.3176 0.7561 1.5724 0.6626 0.6257 1.2269 0.4310 1.0846 0.8407 0.7880 0.5178 0.9776 0.7071 0.5797 1.0918 0.6052 0.4910 0.8580 0.9095 1.6304 0.7723 1.1806 0.6526 0.5593 1.4273 0.9281 1.1027 1.0833 1.2223 2.0956 1.8488 1.5275 0.7194 1.1941 1.3514 0.8466 1.0252 1.0703 1.1149 1.6499 1.6998 1.2470 1.0000 0.6756 1.1655 0.7008 1.7853 0.8854 1.1866 1.3080 1.7084 1.1585 1.5911 0.8748 0.7505 1.1547 0.8088 1.1283 0.9611 0.9553 0.7034 0.7850 1.2011 1.6136 homocitrulline 1.1254 1.0389 5.9196 0.4731 0.2693 2.4782 0.8176 1.3881 0.4291 2.3416 2.1810 1.5504 1.7489 0.7875 2.8771 5.1826 1.7760 1.4923 4.9529 0.3971 0.9675 0.6070 0.6329 1.0000 0.7475 0.5130 1.2972 1.7070 0.7087 1.4927 1.1424 1.5228 1.0847 1.1767 2.2526 3.3293 0.9022 1.7365 2.1918 1.8589 1.2390 1.7352 1.0510 1.7753 5.1056 0.7945 3.9221 2.2214 6.1795 1.6903 0.9295 0.8056 1.2304 0.8585 1.1748 1.1784 0.5892 0.6841 0.8620 1.2805 0.8415 0.9924 0.9301 0.5630 0.6357 0.7758 0.7133 1.0356 0.2693 2.5096 0.2693 0.5798 1.8438 0.6344 0.5084 2.8430 2.2918 0.5055 0.8656 0.5433 0.7736 0.5351 1.0018 0.8935 0.7897 0.6267 0.6789 2.2200 1.6127 0.9924 1.1820 0.8422 2.1462 0.5407 0.7402 0.9150 1.0107 0.9143 0.8890 1.4889 0.6707 2.0656 0.4977 0.4879 1.1690 1.1276 0.5497 1.6265 1.1597 0.7926 0.3714 0.5259 1.1096 0.6284 0.8906 0.7285 2.8963 1.5313 0.7242 1.7543 0.4772 0.7513 0.9641 1.3657 0.8702 1.2867 0.6533 0.4584 1.1377 1.6335 0.9625 homostachydrine* 0.8016 0.4022 0.7709 0.8318 1.7912 3.1615 0.9013 0.8580 0.4196 1.0952 0.7543 0.3519 0.9985 1.0920 1.6032 0.8248 1.1469 0.7619 2.3230 0.4521 1.3733 0.2584 1.8774 0.5985 0.4332 1.2999 2.3919 1.2474 1.1049 0.3223 2.0058 1.5326 0.7431 0.9279 1.5852 1.2024 1.5102 0.8005 0.7833 0.5306 0.5973 1.8345 0.5024 0.8455 1.6079 0.3367 0.6826 1.5415 2.0020 0.9667 2.2164 0.8773 0.4392 0.3070 1.1673 0.6678 0.4467 1.2382 1.6560 0.3089 0.6334 0.6215 3.9702 0.8846 0.8218 1.6952 0.5306 2.5934 1.0018 1.0485 0.7488 0.6731 1.4545 1.0043 0.5747 1.6757 0.3150 0.5808 1.4849 2.0172 0.6628 0.6727 1.2278 0.7559 1.4840 0.7524 0.9335 1.5960 0.8349 0.3752 2.4288 0.7172 2.0103 1.4927 1.6002 3.7295 0.9287 0.5235 1.5352 1.6052 1.3671 1.0000 2.1277 1.3975 3.1026 1.0681 2.0277 1.4481 3.5827 2.2395 0.9895 1.3288 0.5558 0.7243 1.7560 1.6927 0.4935 1.2524 1.8816 1.0799 0.6693 1.2924 1.7254 0.9167 0.8842 0.5753 0.4844 0.7450 2.0895 3.9978 0.8866 hydantoin-5-propionate 0.9227 1.0609 1.8354 1.0606 0.9836 1.1048 1.3138 0.7499 0.3848 1.5695 0.9379 1.0487 0.6804 0.4809 1.6753 1.6113 2.1660 1.2419 3.3249 0.4108 0.5251 1.0423 0.5983 0.5378 1.8145 0.4311 2.0419 1.2631 0.8299 1.0171 2.3904 0.4166 1.1293 1.4649 3.0588 1.8702 0.8881 1.4482 1.7009 0.8009 2.3694 1.7493 1.6169 2.1091 3.0197 1.6132 1.4073 0.4472 5.7475 1.5676 0.8253 0.7389 0.7156 0.4803 0.3325 1.1578 0.5240 0.3345 0.4967 0.1978 0.4693 0.1818 0.5382 0.7929 0.3927 0.5071 0.4594 0.7362 0.2392 0.2691 0.1818 0.2950 0.3518 0.6464 0.6087 0.8894 0.5289 0.5028 0.5881 0.5025 0.4745 0.6450 0.6766 1.1020 0.2514 0.9186 0.8531 1.4964 0.4325 0.9463 0.6459 0.7170 0.6748 0.4101 2.2498 1.2129 0.6942 1.6286 1.5660 2.1736 0.4268 1.8673 0.6668 1.1416 1.3778 0.7797 1.5121 1.7684 1.5863 0.9377 0.8063 1.5533 1.4564 1.9815 1.0367 1.6401 2.8385 1.5703 0.9369 1.8737 1.2048 1.3749 1.8187 2.0095 0.8340 1.6688 2.5180 1.0164 1.4289 1.4603 2.7618 hydrochlorothiazide 0.0873 0.0873 0.4727 0.0873 0.0873 0.0873 0.0873 3.2532 0.2807 0.0873 1.1480 0.0873 0.0873 0.0873 0.3550 0.0873 0.0873 0.0873 0.0873 0.0873 0.6111 0.0873 0.0873 0.0873 1.8694 0.3959 1.4542 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.6209 1.2840 0.0873 0.0873 0.0873 0.0873 0.1828 0.0873 0.0873 0.3645 0.2728 0.0873 0.0969 0.2576 0.8520 9.1128 0.0873 2.3387 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.0873 0.6974 0.0873 0.0873 2.2273 1.6863 0.0873 11.7766 0.0873 0.0873 0.0873 0.4899 0.0873 0.0873 5.2199 4.7881 0.0873 0.0873 0.0873 0.0873 1.7768 15.5910 0.0873 0.0873 0.2877 0.3177 0.0873 0.0873 0.0873 1.5937 0.0873 3.7522 0.0873 0.0873 0.0873 0.0873 8.1013 hydroquinone sulfate 1.9501 0.6568 0.2469 0.7999 0.5601 2.7213 0.2469 0.3941 1.1713 1.3508 0.2469 4.0577 0.2469 1.4731 1.7192 0.2469 1.3328 0.2469 1.4167 0.2895 0.3841 1.1312 0.4747 0.7886 0.5580 0.2469 0.5485 0.2469 0.2469 2.6999 2.0983 1.1597 1.8885 0.2469 0.2469 0.2469 0.2469 0.3383 8.7216 0.2469 1.3370 0.8669 0.3964 0.2469 4.0223 0.2469 1.6866 0.2469 3.9004 2.2832 0.3881 0.2469 1.4640 2.0214 1.1940 0.2954 0.6517 0.2469 0.5114 0.4624 0.9859 0.3910 0.3310 1.0965 0.2469 0.7738 1.5688 0.5621 0.7482 0.8125 0.3304 0.5077 0.2469 2.9280 0.2469 0.8928 0.2469 0.7150 0.8077 1.3270 0.2469 0.2469 0.2469 0.2469 1.3544 1.1223 0.4939 0.8330 0.3222 2.2444 0.2469 2.3082 0.7851 1.1931 1.7908 0.3047 0.5398 3.6502 1.8987 1.0877 1.0711 1.4284 0.7752 0.8678 0.6658 4.4257 0.2469 0.9499 1.0702 1.1481 0.2469 0.2469 0.2929 0.7670 0.7806 2.0671 0.3197 0.2681 1.5247 0.9020 1.5151 0.2469 1.0141 1.3777 0.4322 1.1737 0.2469 0.2469 1.2405 0.5611 4.0053 hydroxy-CMPF* 0.2679 0.7038 2.4647 0.5245 0.1604 0.5426 5.1504 0.3203 6.0508 1.1119 0.2769 4.1710 3.0099 0.6104 0.4022 0.6174 2.7588 0.5016 0.0452 0.1262 0.2229 0.6392 0.0956 0.3034 0.3518 0.9674 0.9033 0.8216 0.5009 0.3605 0.3877 0.3570 0.1521 0.0252 0.0408 1.1379 1.4363 2.5995 0.1542 0.2925 0.0252 0.3331 0.2643 0.2354 1.1298 0.0988 0.1845 0.0809 0.0255 0.1590 0.3425 0.2834 1.1229 11.3124 0.5751 1.3979 2.0612 2.9860 9.3276 0.1558 0.1558 4.9008 15.6650 3.2838 0.9680 0.4197 1.8781 1.1097 1.0007 3.2653 0.4601 4.8275 2.9832 1.2851 5.5452 1.9097 1.1293 3.3178 8.5136 4.3912 1.7173 0.3316 2.1474 0.1179 0.2033 2.4986 8.2322 5.2554 4.6268 0.0712 2.1663 1.0407 23.1893 3.4472 1.2340 4.3083 0.9545 0.2315 0.7962 1.0646 0.4207 3.4954 0.4377 0.0656 10.8706 1.1645 6.0563 3.0854 1.0158 1.3739 5.9484 0.7653 1.7484 2.2466 1.1302 0.1804 4.6762 0.6004 0.7422 1.2567 1.4645 0.3195 4.9285 1.6988 3.3142 0.9993 1.9939 0.2893 3.0541 0.4534 0.1416 hydroxy-N6,N6,N6-trimethyllysine* 1.0550 0.9887 0.6480 1.0504 1.2315 1.1656 1.0677 1.0602 0.8324 1.3758 0.8745 1.1851 0.6210 0.9906 0.9406 1.1577 3.7228 0.8168 1.2871 0.9225 1.0838 0.8563 0.8068 0.1910 0.7438 1.1968 2.0839 0.7607 0.6921 0.7803 0.7312 0.5076 0.3410 0.6527 1.2105 0.4985 0.8955 1.4319 1.2261 0.7292 1.7667 1.1379 0.8934 0.8896 1.9000 0.7285 1.9663 1.0357 4.3405 0.9633 1.0430 0.5962 0.4833 0.7248 0.5122 0.9843 1.3559 0.9177 0.7365 0.2550 0.9181 1.1566 1.8351 1.1244 0.7727 0.7065 1.3614 0.6766 0.7419 0.6395 1.6421 0.7847 0.8624 0.7678 0.7308 1.5101 0.4372 0.8309 1.0395 1.0516 0.9787 1.0699 1.3834 1.2004 0.7972 0.3258 1.0254 1.2426 1.0094 0.9425 1.5732 0.1910 1.1220 0.8992 2.8558 1.4386 1.3946 0.9901 0.9285 1.3065 0.5210 2.0812 1.1381 0.9678 1.2967 1.4261 1.1003 1.2887 1.1739 1.4843 1.0436 0.3447 1.5598 1.1823 0.4034 0.7434 2.2619 1.0430 1.3801 0.8370 0.8413 0.2771 1.2736 1.5261 0.5385 1.7167 0.2911 1.1576 1.6582 0.7416 1.1466 hydroxyasparagine** 1.2307 1.2514 1.2051 1.0254 0.9265 1.0254 0.7854 0.9949 1.1342 1.2645 1.1909 1.3184 1.0424 1.0204 0.8818 1.7089 1.4173 1.0128 1.9618 0.9831 1.3666 0.8956 0.8739 1.0169 1.1568 0.9964 1.8292 1.1915 0.8766 1.0347 1.0422 1.3296 1.3173 1.1158 1.7358 1.3210 0.7763 1.0000 1.4203 0.6686 0.8619 1.7182 1.0011 0.9229 1.7987 0.7602 0.9109 0.8513 3.1651 1.3411 1.1113 0.6791 0.4533 0.6936 0.4959 0.8094 0.7763 0.7475 1.0115 0.6252 0.8589 1.0843 1.1933 0.5580 0.7004 0.6442 0.7670 0.7615 0.4885 0.5749 0.6936 0.7772 0.7343 0.5880 0.6639 0.7011 0.5247 0.7771 0.7539 0.8923 0.6977 0.7816 0.7475 1.1428 0.6825 0.5997 0.7353 0.6647 0.7743 0.8516 0.8564 0.4336 0.6961 0.4480 0.7687 1.2002 0.7633 1.0251 1.1414 1.5536 0.8100 1.0270 1.1121 1.0103 1.1775 0.9618 0.8469 1.4486 1.2250 1.4952 1.0368 1.0107 1.4142 0.9560 0.9538 1.4195 1.6252 1.2206 1.0543 0.8786 0.7368 1.0038 1.2554 1.2185 1.0093 1.0997 0.8716 1.2102 1.7644 1.1113 1.3181 hydroxybupropion 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 2.5253 0.3562 2.7006 0.3562 0.3562 0.3562 0.3562 0.4050 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 4.6599 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.9388 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.5036 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 1.0000 2.5449 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 0.3562 hydroxypioglitazone (M-IV) 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 1.6834 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 0.3166 hyocholate 0.7219 0.8038 1.2293 1.8717 3.6507 1.2057 1.0789 2.4006 0.4328 2.0314 0.9297 2.3246 0.5913 0.7789 0.3658 0.3658 1.6673 1.0000 0.2762 1.8691 1.1661 0.8211 0.5670 0.9235 1.3715 0.9054 1.4215 0.9489 1.7419 0.8016 0.7334 1.3156 2.1940 0.2762 1.7071 0.2762 0.5810 2.6717 0.2762 2.0580 4.5658 0.2762 0.2762 0.8551 2.5336 0.7391 3.0790 0.9984 1.0090 0.5756 3.7894 1.5541 0.3475 1.3207 1.0874 0.6269 0.4566 1.0862 0.3786 0.2762 1.7551 1.9099 0.5507 3.4441 0.9223 0.7762 0.9919 1.6749 1.3042 1.6113 0.8688 1.1428 0.5214 1.0922 0.7073 5.3722 0.2762 0.2762 0.4533 0.6957 0.5254 1.5285 0.8979 1.5728 0.2762 1.4113 4.2049 0.3649 0.4931 2.0693 0.8863 0.9218 2.9893 2.4156 3.0914 0.7595 0.8600 0.3567 0.7281 0.6352 2.5330 3.2570 0.4492 0.5225 0.8459 1.8883 1.3574 0.6380 0.8380 0.8465 1.1754 0.7912 0.7953 0.8302 2.2449 2.8038 0.6905 1.7777 1.1556 1.6202 2.5019 1.6098 0.8177 0.7313 0.7260 0.7859 1.1269 2.1198 2.3525 0.2762 0.7082 hypotaurine 0.9799 1.6641 1.0205 0.2013 3.9815 0.2013 0.2013 0.5356 0.2013 0.2013 1.2699 0.9708 0.7851 1.0045 0.2013 0.2013 0.2013 1.5622 0.2013 0.9134 0.4844 0.2013 2.8101 0.2326 0.2119 0.2013 1.3532 0.8460 0.2013 2.7112 0.2013 0.2013 0.3701 2.4965 0.2013 0.2013 1.1217 0.2013 1.2919 0.2013 4.3439 2.0434 0.8508 0.2013 0.2013 1.7311 0.2013 0.9204 0.2013 0.4994 0.9222 1.5939 0.8041 0.2013 1.1697 0.9793 0.2013 0.2013 0.2013 0.2013 0.2013 0.2013 0.2013 0.2013 1.1453 0.2013 1.5681 0.2013 1.2112 0.2013 0.3332 0.6106 0.2013 1.5726 0.3193 0.2013 0.8708 0.2013 0.5514 0.2013 1.2447 0.7930 1.7211 1.1899 0.2013 0.5832 0.8053 2.4258 0.3989 0.2013 0.2013 0.2013 2.3330 0.2013 0.2013 0.3765 0.2013 0.2013 0.8553 2.2119 0.2013 0.2013 0.2013 0.2013 0.2013 0.6466 0.2013 1.3209 2.5519 0.2013 1.7292 0.2013 0.5129 0.4875 0.2013 0.2013 0.2013 0.2013 0.2013 1.6236 0.2013 0.2013 1.7322 0.2013 0.2013 1.0000 0.8062 0.2013 0.2013 0.2013 0.2013 hypoxanthine 0.6766 1.2479 0.8736 1.7875 4.0089 0.9892 0.5692 1.0676 1.1031 1.1759 1.1433 1.2460 1.5122 1.7921 1.0676 1.8026 0.9212 1.7833 1.6804 1.6315 1.4011 1.0822 2.5817 1.2548 1.6570 2.0863 1.7130 1.0762 0.7276 1.5329 1.1143 1.1439 0.9262 1.2145 1.8080 1.1560 0.9325 0.9996 1.0818 1.7028 1.0729 1.6145 0.9262 2.0398 0.7568 1.4566 1.1122 0.9924 1.3090 1.2723 1.1306 0.8012 0.4391 0.6595 0.4759 0.9347 0.5545 0.5210 0.7511 0.9524 1.0515 0.7161 0.8467 0.9704 0.7917 0.8844 0.4660 0.7542 0.9444 1.0802 1.1407 1.1362 0.9670 0.7577 1.1288 0.9697 0.7551 0.8861 1.0282 0.8942 0.4591 0.7353 0.7249 1.1081 1.0000 0.5988 0.6978 1.7847 0.5148 0.5555 0.4250 0.3821 0.6531 0.4018 0.3530 1.1067 0.6243 0.9362 1.3261 0.9325 1.7459 0.7093 1.6035 0.7155 0.9446 2.3123 0.4428 1.1429 1.0842 1.0457 0.9739 1.9749 1.3432 1.1634 1.0572 0.6780 0.9890 1.3364 0.8313 1.2716 0.7203 1.1569 0.7383 1.0873 0.6669 0.8684 0.8391 1.1366 0.7133 0.6100 1.2709 ibuprofen 1.2554 1.8994 0.1379 3.9590 0.1022 1.1685 54.2587 1026.5242 26.5565 0.1022 1.9227 0.2736 0.1022 0.5066 0.1022 0.1022 0.1022 0.1840 0.1022 0.1022 0.1022 0.2002 2.0859 0.1022 0.1022 0.1022 0.1022 61.4613 2.2105 0.1022 0.1022 0.1022 3.1449 0.1932 0.1022 0.3071 0.2207 0.1022 51.0949 1.3274 0.1022 0.6474 2.0638 0.4940 0.1022 1.1142 3.3347 2.7852 0.1022 0.1022 0.1022 0.1022 0.1022 1.6075 6.7564 0.7529 4.1169 1.0245 113.5806 0.1022 1.6714 0.1022 7.6185 0.1022 0.5587 1.4949 0.3941 1.0049 0.1022 0.2342 1.2113 73.8491 0.1804 3.3330 1.1001 0.9527 5.7867 13.5302 0.9569 1.0151 0.1022 3.8221 0.1432 0.1022 0.6587 0.4581 0.2525 0.4081 0.6476 0.7242 0.7123 0.4462 0.1022 0.8124 0.1022 0.9020 0.1022 0.1022 0.1022 0.6391 0.1022 0.1022 0.3078 1.0000 0.6199 0.1022 0.1022 0.1022 1.2024 0.5041 1.6371 0.1022 0.4106 0.3663 0.1022 71.8923 0.1022 0.1022 0.1022 0.1022 0.1022 15.0312 627.7938 0.8946 0.4963 0.1732 0.3286 0.1022 0.1022 0.4762 0.1022 ibuprofen acyl glucuronide 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 3.2739 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 1.0000 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 0.6145 imidazole lactate 0.9075 0.9964 1.0610 0.6635 1.1933 0.7215 1.0009 1.1113 0.6373 0.8341 0.9733 0.8381 0.8034 1.0091 0.6045 1.4519 1.0606 0.5699 1.2964 0.5269 1.4444 0.7903 0.8146 1.2374 0.6706 0.5796 3.1481 0.6158 0.7079 0.5762 0.5617 0.8133 0.8899 0.9608 1.0617 0.6385 1.0987 0.9842 1.4365 0.5758 1.3131 1.1552 1.1196 1.0108 0.8353 0.8232 0.5497 0.7759 1.2260 0.9049 1.6469 0.7392 2.1221 0.8380 1.9392 0.8786 0.7287 0.9097 0.7631 0.6055 0.7447 0.8200 0.9008 1.0000 1.2037 0.9452 0.6785 1.4348 1.5897 1.7457 0.8815 1.0019 0.8607 1.4519 1.0395 1.1869 3.4546 1.1993 2.8509 0.5714 1.5043 0.8786 1.0250 0.9613 1.1376 0.7506 1.9386 1.4330 1.6950 0.6911 1.2843 1.1526 1.6209 0.7170 1.0178 1.2713 0.6346 0.8406 1.4315 1.2065 1.1899 0.5778 0.9908 1.7017 1.0752 0.7998 1.8546 1.5846 1.3650 1.5812 1.3303 0.8670 1.4828 0.9744 1.4624 1.4581 1.5976 1.5618 0.6831 1.3311 0.6543 0.9901 1.1332 1.0057 0.9503 1.1300 0.7386 1.7877 1.2666 0.7223 0.9544 imidazole propionate 1.5510 0.6153 0.7068 0.6121 1.1464 1.7141 0.7921 1.3528 0.7034 0.9712 0.6918 2.3344 0.6467 0.5681 0.6085 0.7058 9.1678 0.4180 1.7614 1.1626 6.3708 1.6245 0.4012 1.0000 0.9102 1.0127 2.4892 0.5993 2.0017 2.8248 4.2976 1.5122 1.9543 1.6730 2.1412 0.3781 0.3353 1.3527 2.7268 0.8183 1.5173 1.4789 0.2933 0.8610 0.8607 0.6165 0.7923 2.3065 2.5390 1.9001 1.1275 1.0291 0.7608 1.2615 0.6515 0.2378 0.2378 2.9025 0.4647 0.7890 1.7094 1.1087 0.7569 1.5345 0.4401 0.3381 0.4769 0.2378 1.0887 0.2378 0.4919 14.1786 0.4194 1.3542 0.2378 1.5313 0.6367 0.5916 1.1478 0.4702 1.4084 0.7429 0.5766 0.7370 0.9228 0.4788 0.4532 1.5729 0.9019 1.0116 0.9098 0.7461 1.1619 0.4692 0.5403 1.2629 0.3598 1.0543 1.4191 1.4964 3.5911 1.5070 0.7008 0.7071 0.9468 1.5519 1.7814 1.3721 0.6811 1.0055 2.0028 0.9471 1.1927 1.3980 0.6856 0.8836 2.2091 1.4868 0.6914 0.6040 0.8046 1.2707 0.9726 3.6745 0.3955 1.0228 1.0800 23.3656 1.2749 0.8473 0.8332 iminodiacetate (IDA) 0.7159 0.5263 0.5015 0.7070 0.0029 1.6477 1.1372 0.6614 1.1537 0.7401 0.6489 0.6676 1.0133 0.8485 0.8980 0.7355 1.3080 1.1847 1.8547 1.5313 1.1662 0.7800 0.7563 1.9279 0.8203 0.8955 0.8287 0.8117 0.7514 0.7645 1.2520 1.1880 1.6078 1.1050 1.5912 1.7452 1.2780 1.5090 1.2175 3.0560 1.6622 1.6017 1.4526 0.6581 1.1270 1.1871 1.5354 0.5647 0.8464 1.1714 0.6228 1.1732 0.6351 0.6726 0.7454 1.2173 1.1058 0.8078 0.9885 1.3526 0.9215 0.9051 1.2678 1.2791 1.2096 1.4236 1.4339 0.6776 0.5876 1.3439 0.6821 0.8327 0.8354 0.8268 0.8663 0.7766 0.6301 0.6478 0.7529 0.6578 0.8205 1.0310 0.7710 0.6399 0.8954 1.6610 0.7921 1.4699 1.3664 0.7612 6.0920 1.1380 1.3824 6.5135 1.2712 0.8501 1.2386 0.6316 1.5716 2.1506 1.1731 0.7998 1.8033 1.9035 1.9858 0.6164 1.0022 0.6581 0.6969 0.8269 0.6266 0.7923 0.7025 1.0280 0.8701 1.5780 1.3341 0.9309 1.0694 1.1768 1.0026 1.2611 0.8381 0.8791 0.9736 1.2546 1.1568 1.8732 1.1590 1.0000 0.7692 indoleacetate 0.3146 0.3897 1.3677 1.1793 0.7059 0.9100 2.8692 0.8269 1.5895 0.7786 1.5665 0.9130 1.6162 0.3051 1.4321 0.8925 1.8131 1.6644 3.6527 0.8618 1.9235 1.1768 0.9013 0.6964 0.4573 0.5484 0.9372 0.8373 1.5759 0.9589 1.9099 0.9973 0.5703 1.0033 1.3220 0.6896 1.2654 0.5883 1.5038 0.6523 1.0166 0.7588 0.7718 1.3721 2.0398 1.0187 0.9720 1.6564 2.1925 1.2620 4.1758 1.3594 1.0271 0.9269 1.7298 0.5043 0.7996 0.6337 1.3175 0.3380 1.5072 0.7082 1.7805 1.4061 1.0000 1.1841 3.7305 1.0617 0.9373 1.1030 1.1290 0.7710 0.7305 1.6029 0.4770 1.4478 1.2107 1.2073 0.4469 0.5220 0.7812 0.9672 1.5832 0.6709 0.7481 1.4864 0.8681 0.9442 0.8323 3.2715 1.6826 0.9167 1.3648 0.7572 2.0091 1.8859 0.9026 0.6618 0.5921 0.6559 1.0708 3.8315 0.4380 0.6588 2.2791 0.6883 1.3377 1.1210 1.6142 1.3782 0.7481 0.5762 1.1126 0.6887 0.8321 0.9045 2.0444 1.4223 0.7970 0.9899 1.7622 0.7067 1.1367 1.0023 1.2591 0.7243 1.6542 0.9096 0.7905 1.2357 0.6932 indoleacetylglutamine 0.4683 0.4683 0.7466 1.2671 0.4683 0.5510 1.7436 0.7145 0.8451 0.9389 0.5504 1.4896 0.4683 0.4683 1.1129 0.4683 1.4148 1.0928 13.9489 0.4683 0.8408 0.4683 0.4683 0.9716 0.4683 0.4683 1.3082 0.4683 0.4683 0.4683 3.5498 1.3990 1.3285 1.1238 1.6147 0.4683 0.5594 0.9977 2.0429 0.4683 0.4683 1.0208 0.4683 0.7757 1.7439 0.6114 1.0000 1.0392 5.7251 1.4618 1.7832 0.9645 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4852 0.5228 2.1475 0.6166 0.6573 0.6195 0.6026 0.4683 2.0103 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.6023 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 0.9463 0.8005 0.4683 0.4683 0.4683 0.9780 1.0180 0.4683 0.5884 0.4683 0.4683 0.4683 6.4434 0.4683 0.4683 1.2836 0.4683 0.4683 0.9208 0.4683 1.4873 0.4683 0.4683 0.4683 0.4683 0.4683 0.4683 5.8795 0.8724 0.8600 0.4683 1.0425 0.4683 1.1922 0.4683 0.6802 0.4683 1.1898 1.9417 0.4683 0.6433 0.8621 indolelactate 0.5318 1.3039 1.0456 1.3012 0.9986 1.0579 1.1098 1.7109 1.7974 1.0157 0.7490 1.2443 0.6105 0.8476 0.8871 1.0960 1.4959 0.8852 2.1681 0.7595 1.5144 0.9874 0.5535 0.8754 1.1247 0.5150 1.1608 0.8515 0.9284 1.2499 0.7715 1.0000 1.0413 1.0313 1.1871 0.7242 0.8653 1.1381 1.6574 0.4408 2.0558 0.8036 0.7007 1.2697 1.3753 0.8554 0.5163 1.0017 1.7807 0.7301 0.9867 1.1907 0.9930 0.5924 1.3772 0.9013 1.0537 0.5773 0.6200 0.6004 1.0723 1.4031 1.0709 1.7077 1.0979 0.7725 1.6868 0.9119 1.0494 0.9892 0.8263 0.6050 0.8188 0.7838 0.8286 1.3421 0.8985 1.1725 1.2186 0.8395 1.2460 1.6514 1.2291 0.9973 0.7744 1.0390 1.5070 1.1374 2.2502 0.7079 1.2223 0.9832 1.4138 0.9694 1.5673 0.9253 0.8662 0.5968 0.8198 0.7455 1.0089 1.5683 1.7691 0.9755 0.9674 0.8851 0.9611 0.9257 1.6960 1.2275 0.9155 0.9957 1.4671 1.1479 1.4610 1.2664 3.0998 1.5660 0.3543 0.9930 0.7664 1.0510 1.1389 1.4717 0.9670 1.0263 0.8653 0.5345 0.6938 0.8105 1.0587 indolepropionate 0.2265 0.0543 0.1173 0.7175 0.4598 0.7344 0.3521 0.9169 1.6870 0.7680 0.2656 1.0090 0.6357 1.2532 0.9098 0.4175 0.3920 0.1855 0.0543 0.1945 1.6374 0.4112 0.6668 0.5452 0.1004 0.5798 0.4217 0.2912 0.4924 0.4529 0.0993 2.4070 0.1802 0.1753 0.3273 0.5076 0.9522 1.0837 0.6190 1.0136 0.2720 0.6068 0.1742 0.3182 0.6458 0.2295 1.2626 0.0543 0.8326 0.0543 1.2890 0.7881 3.8730 0.5166 2.5764 2.8422 1.2646 1.9130 0.7462 3.0085 1.5054 1.1012 1.6149 2.6751 0.7215 6.2173 6.3243 0.6168 2.0389 3.9969 2.6970 0.8720 0.9580 7.8777 5.6219 7.2929 0.6817 1.5464 2.4192 1.4639 5.0937 1.5639 2.2405 1.2533 2.9838 2.9036 2.3309 2.5210 11.8169 1.7946 1.2695 4.7832 2.0883 1.2384 1.3472 0.4425 1.0000 0.6297 1.3242 0.5756 3.7455 0.3262 3.0166 1.2452 0.8911 0.5755 4.7506 1.4873 1.3943 3.7930 1.0355 1.2517 3.6266 0.1783 1.1315 3.0296 0.4283 0.4667 0.4713 1.1651 2.1740 0.4713 0.4846 0.1244 2.3991 1.4761 0.5300 0.0543 0.5524 0.3931 3.9471 indolin-2-one 1.6351 0.2718 0.5066 0.6224 1.6021 1.4682 1.9502 0.6949 0.9909 1.5205 0.6501 1.4912 0.7070 0.4454 2.5331 1.0993 1.9363 1.1990 1.0901 0.1621 1.8984 0.7376 0.5321 0.9332 0.3822 0.3027 0.8755 0.3164 0.1621 1.0224 1.1903 1.8572 1.2857 0.5388 0.7425 0.7968 1.5811 0.8691 1.6917 1.7740 0.6380 1.7179 1.0370 0.1621 3.1560 0.6391 1.0846 0.4217 6.5288 0.2894 0.9114 2.1252 0.5285 0.8181 2.1599 0.7199 1.2508 0.1621 0.9469 1.2028 1.0605 1.4522 1.0474 1.3532 1.3235 0.9838 1.6104 0.2827 0.8961 1.9273 0.7138 0.4648 0.8437 1.8413 0.1621 1.0284 0.3612 1.2003 1.1696 0.3941 0.6398 0.9846 0.6322 0.8873 1.6844 0.3217 1.9697 2.7233 0.4749 1.9809 2.0470 1.6674 0.9970 1.4054 1.6709 2.8136 0.8430 1.1583 0.7343 0.1621 1.9701 1.4226 0.6020 0.3960 1.0721 0.8281 1.1248 2.0522 1.3540 0.7679 0.1621 0.3013 1.0030 0.1621 1.4570 0.6899 1.6798 0.8118 1.3800 0.6427 0.1819 0.6266 1.1951 0.1621 0.2661 0.9094 0.5881 0.8495 0.6224 1.1443 0.1621 inosine 0.9113 0.9826 0.9986 1.0013 45.7581 0.9462 0.7270 13.4865 0.9656 1.2048 0.8801 1.2321 1.1234 1.1347 0.9277 1.4124 0.9661 1.0541 0.8345 1.0009 1.0032 1.1476 1.6347 0.8609 1.1992 1.2537 1.1784 0.9885 1.1566 1.1145 0.9593 1.0328 1.1059 1.0372 1.1165 0.9317 0.8790 1.1487 1.0648 1.0297 0.9964 1.1075 1.0541 1.0579 0.9457 1.0593 0.9035 1.8485 1.3874 1.1683 0.9996 0.6070 0.8236 0.8014 0.6654 0.9286 0.8955 0.8896 0.8265 1.0311 0.9140 0.7472 0.9791 0.9617 0.9292 1.0583 0.9448 1.0000 0.9955 0.9641 0.9258 0.8179 0.9935 1.0991 1.0902 0.8603 0.9801 1.1124 0.8933 0.8761 0.9142 1.0533 0.9507 1.4627 0.9067 0.9928 1.0129 2.1932 0.7389 0.8957 0.8162 0.8623 0.9613 0.9710 0.7590 1.3282 0.9448 1.2739 1.2609 0.9978 1.9301 0.7525 0.9048 1.1291 0.9468 11.7529 0.9764 1.6014 0.9866 1.0475 1.2767 2.8253 1.2252 1.0354 1.2591 0.8533 1.1089 0.9363 1.1232 1.1174 1.0953 1.2175 0.9323 1.6722 0.8634 1.1043 0.9172 1.6922 1.1909 1.0450 1.1177 inosine 5'-monophosphate (IMP) 0.8494 0.1144 0.4056 0.1144 0.1144 0.1144 0.1144 0.9263 0.2524 0.1144 0.7483 0.9234 0.2044 1.5477 1.1902 1.6707 0.4091 0.6975 0.1449 1.8953 1.0313 1.5228 5.6375 0.6015 2.9159 1.2733 1.1275 2.2979 1.0262 2.7453 1.1966 1.9705 2.8165 1.5715 1.0094 1.4146 1.7590 1.8225 1.0596 0.4957 2.7242 1.6264 2.5287 1.9395 0.7957 1.0780 1.0082 1.2778 1.2798 1.9800 0.9745 1.9066 0.9483 0.5327 1.1650 0.4835 0.5281 0.1144 0.1144 0.1144 1.3131 0.4052 0.9934 0.5521 1.2710 0.5461 0.4377 0.8641 0.4965 0.5990 0.5208 0.2602 0.5409 1.7415 1.0450 1.3978 2.0387 0.2732 1.8416 2.1078 2.5590 0.7506 2.2808 1.4849 0.1144 1.7099 0.1313 2.1457 0.9916 1.7202 0.1144 0.3777 1.1781 0.1144 1.0000 0.1144 0.1144 0.2149 1.7810 0.8227 0.3399 0.1608 0.2564 0.1144 0.2723 0.3285 0.1144 1.2209 3.4471 0.1144 2.5603 0.3283 0.8226 0.9063 0.4086 0.1144 0.5939 0.2079 0.3790 1.6204 0.1144 0.2849 0.9531 0.1144 0.1144 0.4280 0.1144 0.1144 0.2070 0.4077 1.0557 isobutyrylcarnitine (C4) 0.2548 0.4351 1.0991 0.8603 0.9871 2.4495 1.1201 0.5414 0.3841 0.8337 1.8827 0.4756 1.5273 0.2951 1.6889 2.2141 2.3131 1.1969 5.6402 0.3248 0.6914 0.6066 0.5832 0.3229 0.5829 0.5629 1.6440 1.0141 0.8144 2.0473 1.2889 1.7738 0.3964 1.0972 1.2944 1.6466 1.0795 0.9924 0.9424 1.5355 1.1662 1.1568 0.6955 1.4098 2.5099 0.8793 1.4151 0.7351 3.1110 0.9027 0.6139 3.6080 1.9075 0.6591 1.7400 0.8878 1.3758 0.3829 0.6354 0.3522 1.0810 1.3849 1.5725 0.6371 0.8620 0.6673 1.0382 1.3941 0.8550 0.3717 0.4223 0.4885 1.1694 1.6470 0.4948 1.2877 0.3051 0.7197 0.9706 0.4789 1.1429 0.7493 0.6058 0.5466 0.6172 0.5585 1.7055 1.2674 1.5859 1.0064 1.7047 0.4595 2.0725 0.9896 4.0564 1.5737 0.9758 1.1943 1.1856 0.5172 1.7604 1.9735 0.7616 0.5005 1.5147 0.2548 0.9400 1.5257 1.9285 2.1008 0.5534 0.6201 1.0380 0.4546 1.6562 0.4769 1.1973 1.1147 0.9936 1.1840 1.1755 0.7305 1.0377 0.5604 1.1009 0.6495 1.2007 0.5963 0.4919 1.1803 0.4899 isobutyrylglycine 0.8432 0.4389 0.7358 0.7776 1.0958 2.7987 1.6308 0.4389 0.6104 0.4389 1.5076 1.1460 1.1442 0.7428 1.3520 2.1965 1.8684 0.7154 3.5220 0.4439 0.8496 0.4389 0.4951 0.4389 0.4389 0.6745 1.0011 0.5958 0.7017 1.0889 0.4389 1.3303 0.5626 2.4378 0.9063 1.3202 1.2618 0.8285 0.9914 0.8064 1.7424 0.8988 0.9019 0.4389 1.4161 0.5209 2.6473 0.5122 1.3890 0.7004 0.9829 1.8223 1.5335 0.4389 4.2012 1.2063 4.2315 0.9669 1.8081 0.7331 0.8254 1.4863 1.1558 0.7264 0.9774 0.9050 0.5254 1.0047 1.3292 0.9981 1.2212 0.9136 1.0147 0.6828 0.9916 1.8012 1.0361 1.5002 1.8230 0.8160 1.3291 1.3713 2.1146 1.1291 0.9900 0.6087 0.9922 1.3493 1.0395 2.0108 1.5497 1.2847 1.5792 0.7923 1.8974 0.7675 0.4415 1.0895 0.7691 0.5648 0.8449 2.1547 0.6868 0.6757 1.6400 0.4436 1.2014 0.8503 1.0834 1.2088 0.6710 0.4605 0.7317 0.9055 1.3576 0.5201 0.7220 1.2173 0.8477 1.4037 1.6226 0.6914 1.0026 0.9989 0.7328 2.4252 1.6446 0.4389 1.1769 0.7535 0.5944 isocitrate 0.9745 1.2879 1.2311 0.7340 10.8982 0.3389 0.6463 0.8049 1.0285 0.3389 1.0890 0.6073 0.8231 0.4955 0.9022 1.0870 1.6845 1.0431 94.1347 0.5931 0.8166 1.1207 0.5751 0.4973 1.5870 0.7169 0.6394 1.1342 0.5282 1.1954 112.4248 101.0620 101.2375 0.8816 0.7172 134.7104 1.0607 0.9637 1.0095 0.3389 0.6762 0.6337 0.8360 1.9723 0.8676 1.2739 0.4245 0.7589 1.8666 1.5864 1.4096 0.7256 0.3389 0.8770 0.7872 0.5246 0.3389 0.5429 1.0000 132.2164 0.5626 0.7377 0.7380 0.8418 1.0664 0.9197 0.8856 0.6125 0.9370 0.3389 0.3389 0.3389 0.7897 0.3389 0.3389 0.8519 0.6138 0.3552 0.8034 0.9808 0.8992 0.5297 1.0862 0.3389 0.7216 90.7502 1.0412 0.9207 0.7452 0.6591 1.0676 77.5763 0.5750 0.5649 0.8499 0.9222 1.2022 1.4749 1.1997 1.1614 111.4823 1.1787 0.9766 0.8462 1.4599 1.0332 0.9332 1.7474 1.5039 1.0348 0.8176 88.0325 1.0895 1.0562 116.6130 114.9848 1.3786 1.3657 1.3943 1.0229 1.0453 82.1349 0.8637 1.0974 1.4437 1.8389 77.2523 0.9628 1.1504 1.0382 1.4409 isocitric lactone 1.8711 3.2682 0.5929 0.1271 0.2411 0.7709 2.0783 0.4125 0.3783 3.2566 0.3564 0.7627 1.7599 0.2476 0.2185 1.9653 2.1526 1.0441 2.6866 2.3996 1.5197 1.3081 1.9172 3.5234 0.4684 1.0549 0.1292 2.0160 0.2590 0.4989 3.1537 2.8310 0.5132 2.8533 0.6254 1.3886 0.1271 0.1271 2.8635 0.3667 0.3140 0.5203 1.2333 3.0263 1.0822 1.4374 0.1271 2.8413 3.2454 2.1626 0.3295 1.9365 0.7977 2.6447 0.8693 0.6287 0.1777 0.2540 0.1920 0.1271 1.6998 2.2885 1.9970 1.6268 0.5478 0.1271 0.2017 1.6689 0.2692 1.6924 0.1271 0.8614 1.1408 0.8785 0.5395 0.6067 4.0807 0.1271 0.1795 0.9752 1.1148 0.7541 0.3948 0.3149 1.5103 1.3342 2.4013 0.1837 0.6556 0.1908 0.2462 0.2049 1.4700 0.2202 0.4416 0.8942 0.1710 2.7190 0.8665 1.3513 0.7872 2.2267 1.0604 0.6308 1.4547 0.3896 1.4686 1.0029 0.3823 1.2197 2.1853 0.8261 1.5787 3.2399 0.2348 0.7146 1.3435 2.7894 0.2658 0.3371 0.1271 1.9739 0.1271 1.5944 1.9136 0.3872 0.4784 2.4159 0.9971 1.1135 0.4550 isoleucine 0.8636 1.1860 1.1367 1.2271 1.0932 0.7310 1.1033 1.3621 0.9223 1.2436 1.1318 1.0167 0.9024 1.0000 1.1007 1.0976 1.8578 1.3193 1.0083 0.8951 1.0098 1.3216 0.9149 0.9636 1.1676 1.0872 1.0857 1.1224 1.2900 1.2229 1.2514 0.8936 1.2940 1.2574 1.0604 1.0389 0.9626 1.2156 0.9882 1.1544 1.1417 0.9944 1.1895 1.1956 1.5297 1.2662 0.9760 1.5158 1.2200 1.0642 0.8920 1.1723 0.6612 0.7299 0.7622 0.8446 0.8157 0.6564 0.9223 0.6205 0.8740 0.7464 0.9352 1.0123 0.8549 0.7668 0.8894 0.7907 0.8529 0.8409 0.7474 0.5779 0.7098 0.9906 0.7192 1.1505 0.7697 0.9115 0.6665 0.5746 0.7436 0.9467 1.2039 0.6970 0.9553 0.9043 0.9068 0.9062 0.7638 0.8776 0.7931 0.8041 0.9547 0.8137 1.0815 0.8198 1.1344 1.1701 1.2674 0.9370 1.0431 1.4497 0.9690 0.8941 1.0411 1.0471 1.2075 0.9986 1.1957 0.9789 1.0109 1.0774 0.8850 1.1232 1.3238 0.8453 1.0275 1.2941 1.1979 1.0772 0.8528 1.0498 1.2315 1.1405 0.9290 1.1138 0.8985 0.9776 0.8195 1.0701 1.0687 isoursodeoxycholate 1.2506 20.3506 5.8463 0.3841 1.6788 1.5250 0.5515 1.4656 0.2407 3.4234 0.9468 0.8631 1.0000 3.2045 0.5070 0.9853 1.9548 11.8324 1.9095 1.7885 1.0041 1.6487 0.8979 1.2502 0.2349 2.6512 0.6174 2.8645 12.7720 15.5530 10.9166 0.6502 2.0018 4.8066 7.0969 0.5830 4.5598 0.6080 8.6677 1.6233 4.0176 7.8354 0.4236 1.8203 0.6518 4.6419 0.5870 1.7092 0.5126 2.9430 1.1604 0.4056 0.1116 0.0888 0.5537 0.3065 2.2827 6.5302 0.0979 1.2510 8.0313 0.9061 0.2555 5.6473 0.9653 0.3013 0.7671 0.3700 3.0822 0.8965 1.2657 1.4375 2.8340 0.0518 1.0995 0.3175 0.4093 0.5103 0.6255 1.1693 1.4707 0.4265 0.5102 0.9451 0.1037 0.3513 0.2652 0.8839 0.1755 0.5553 0.5919 0.4051 1.6255 0.1306 0.7348 6.6299 0.4002 0.9906 0.5743 2.1244 5.3357 0.7979 0.0889 0.3236 9.6831 2.3273 0.6237 0.2571 2.2915 1.4863 1.6894 0.7211 0.5786 0.2801 4.6219 2.0925 1.1822 15.8857 0.6403 0.3145 0.5808 0.7460 0.5215 8.1733 0.2465 6.3915 1.3795 7.4290 1.4872 1.2315 1.2771 isovalerate (i5:0) 0.4439 0.9057 1.2754 1.8111 1.5794 1.1520 0.9995 1.3773 0.9778 3.3627 0.5956 1.4508 0.8682 1.1314 1.5208 0.8617 1.9309 0.7853 2.3025 0.6927 0.9668 1.3504 0.7816 1.2841 1.3468 0.5722 0.9252 1.3246 0.8561 2.5258 1.5757 0.5021 0.7602 1.8749 0.8135 0.8524 0.6790 0.8264 0.8085 0.3704 0.8420 2.2656 1.1265 1.2634 1.4276 1.8203 1.2740 1.1786 0.9312 1.1108 0.5647 1.0079 0.4092 0.9643 0.5239 1.1321 0.8773 0.4929 1.9660 0.6703 1.3837 1.1022 0.6664 1.0336 0.8023 1.1572 0.5712 0.9149 1.1477 0.5533 0.7719 1.3754 1.0005 0.9789 0.3335 1.8343 0.3191 0.8862 1.0870 0.4809 0.9611 1.0269 1.4764 1.0189 0.7812 0.3650 0.8263 1.1335 0.3191 0.4874 0.6392 0.6888 1.3747 0.7095 0.8132 1.6393 2.9800 0.9631 1.0983 0.7790 1.2346 1.3042 0.5460 0.6724 1.2981 1.1112 0.7885 1.2417 1.7139 1.0216 0.4313 1.6105 0.9922 0.6347 1.1745 0.7354 1.0145 1.0615 0.8124 1.5766 2.0250 1.1633 0.6402 1.4141 0.5669 1.7436 1.6922 0.9003 0.6375 2.0191 1.6852 isovalerylcarnitine (C5) 0.2016 0.6609 0.8207 1.9770 0.9077 1.8249 1.4816 0.8346 0.6723 1.9683 0.8406 0.8374 0.6055 0.7623 1.4163 0.9225 2.3261 0.9778 2.7534 0.8672 0.9704 1.3083 1.4277 0.9005 1.1407 0.8091 1.3543 0.9163 0.6602 1.4943 1.1979 1.3236 0.8089 1.1816 1.2769 1.1242 0.5703 1.1156 1.1221 0.8911 2.3758 1.6418 0.6393 1.3245 1.6614 1.3236 0.8801 0.8688 1.6833 1.2374 0.3560 1.5435 0.4271 0.3648 0.9220 0.5852 0.6239 0.3665 1.7002 0.2459 1.5863 1.0897 0.7653 0.8728 0.8918 1.1043 0.6535 0.6693 0.7706 0.4395 0.3848 1.0444 1.0221 1.2358 0.3722 1.2602 0.1421 0.6300 0.6673 0.8843 0.5390 1.1321 1.1780 0.3779 0.6255 0.3743 0.6492 0.4748 0.4695 0.4735 0.4764 0.3649 1.1974 0.3670 1.8786 1.7141 2.0045 1.1198 1.2678 1.1375 1.5681 2.3220 0.5393 0.9803 1.4308 1.4532 0.6809 1.2929 1.5580 1.5757 0.8680 1.3056 1.1673 1.2351 1.4202 0.6794 1.6572 1.1350 1.2569 0.8527 1.2747 1.2154 0.9314 1.3117 0.8158 1.0000 0.8754 1.3144 1.3035 1.2285 1.3314 isovalerylglycine 0.5776 0.2865 0.6860 1.2013 0.4879 1.9304 0.8244 0.4697 0.8615 0.8436 1.2330 1.1510 1.3740 0.2865 1.1470 1.5703 2.3999 0.5447 1.5972 0.6042 1.0386 0.5790 0.8039 0.9297 0.3211 0.9655 1.3248 0.9931 0.5857 0.7519 1.0754 1.7172 0.3315 2.6653 0.2865 0.7704 0.9827 1.2810 1.4780 0.9166 0.5496 1.1261 0.5112 0.5481 1.1676 0.3524 1.9801 0.7049 1.1160 0.4479 0.6933 1.7438 0.6897 0.9827 5.0515 0.8676 2.7799 1.2819 1.9142 0.2865 1.1687 1.9839 1.7034 1.1014 1.0180 0.5668 0.8594 1.5677 1.1643 1.2350 1.0454 0.8054 1.0948 0.8438 0.7057 0.8095 1.1095 2.6298 1.5265 1.5050 0.9254 0.9330 4.1710 0.2865 0.9017 0.5071 1.2923 1.5713 0.7075 2.4078 1.1719 0.3979 0.9598 0.6366 5.3603 0.8371 0.9225 1.1111 1.0207 0.2865 1.3296 1.2624 0.8924 0.9097 1.5567 0.2865 0.6002 1.0069 0.2865 2.0219 1.3528 0.2865 1.4451 0.5505 0.4078 0.6971 0.6056 1.4126 0.8303 0.7993 1.0293 0.2865 1.0925 0.8092 0.2865 1.3674 1.0862 0.2865 0.6330 0.7413 1.1211 ketopioglitazone 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 1.5170 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 0.4830 kynurenate 0.5275 1.2311 0.9355 2.0482 0.7710 0.7196 1.5495 1.2738 0.4560 1.4906 1.8500 1.3228 1.5935 0.8870 0.9013 1.4308 2.3976 1.2926 2.1183 0.7225 0.9857 1.3862 0.5219 0.9875 1.3406 0.8481 1.6848 1.3629 0.8471 1.3526 0.5629 1.2481 0.4784 1.2696 1.1186 1.4891 0.7704 2.0353 0.7452 1.1713 1.2572 1.2472 1.0611 1.5812 0.6708 1.1776 0.7907 1.1899 1.6926 0.8590 0.9563 1.8206 0.6584 0.5188 0.7398 0.6443 1.0044 0.3622 0.6777 0.3993 0.8865 0.9779 0.7036 0.8962 0.9342 0.6048 1.0159 0.9181 0.4950 0.5324 0.6317 0.4770 0.6417 0.5674 0.4617 1.5876 1.0257 0.5882 0.6683 0.7269 0.8648 1.4081 0.8783 1.0000 0.5983 0.7200 0.7260 1.0287 0.8237 0.8121 0.7843 0.4233 0.6921 0.7086 2.7947 1.1711 1.0269 0.8342 1.0864 1.5114 0.6402 1.9496 1.2929 1.0394 1.4083 0.7778 1.0102 1.1830 1.0923 1.8010 1.4086 1.0348 1.5759 1.1750 1.3198 1.2065 1.6609 1.3228 0.8710 0.8633 1.3675 0.6128 1.1989 1.7679 0.9662 1.9561 1.3556 0.9399 1.0417 0.6512 1.2384 kynurenine 0.8627 0.9737 1.0019 1.0400 0.9935 1.1618 1.3253 0.9155 1.0593 0.8059 1.0610 1.6186 0.7797 1.4511 1.1677 1.1188 1.8273 1.3417 1.7104 0.7691 1.2558 0.9578 0.9341 0.7181 0.9188 0.9864 1.1937 1.1814 1.0216 1.0645 0.9626 1.7304 0.8440 0.8975 1.3552 1.5987 0.9592 1.0414 1.2337 0.7842 1.1506 1.0761 1.8392 1.2589 1.1768 0.9953 0.7709 0.7798 1.2410 1.1673 1.0664 1.0371 0.7825 0.5846 0.7590 0.8680 1.5405 0.5996 0.6472 0.5542 0.7837 1.0000 1.1085 0.7993 0.8293 0.6726 1.1579 0.8032 0.6406 0.7590 0.5522 0.7230 0.7763 0.6962 0.7351 1.2281 1.0307 0.8670 0.7744 0.6621 0.9779 1.1183 0.7351 1.1380 0.8292 0.8952 0.8508 0.6892 1.2428 1.2955 0.8004 0.7989 1.0367 0.7055 1.2779 1.1893 0.7976 0.8155 0.7800 1.2821 0.9008 0.9492 1.0364 1.2398 1.0024 0.9617 0.8891 1.1065 1.2149 1.3942 0.9855 0.9857 1.7583 1.1279 1.1395 1.5669 1.1283 1.1554 0.5891 1.1403 1.0309 0.8847 1.2939 1.3126 1.1075 1.3011 1.3406 0.6343 1.1621 0.9303 0.9931 lactate 1.5067 0.7512 1.4417 1.4140 2.1918 1.0188 0.8651 1.6420 0.9541 2.2180 1.0291 1.1163 0.9778 1.1404 0.8961 0.8118 0.9002 1.0686 1.1592 1.2372 1.4891 0.8494 1.4784 1.8738 0.9210 0.9992 1.9872 0.9881 0.6737 1.0606 1.5431 1.3309 2.0924 0.7730 1.7162 1.0786 0.7505 0.8360 1.4442 0.7667 1.6844 1.8188 1.5778 1.1713 1.7712 1.1609 0.7745 2.3766 1.4445 1.2730 1.4483 1.1416 0.5515 0.7939 0.6894 0.7174 0.9118 0.5313 0.7993 1.2496 1.0466 1.3843 0.6915 0.5980 0.9308 1.0104 1.0876 0.7904 0.8856 1.7113 0.7496 0.9058 0.8055 0.7178 1.5491 0.6737 0.7477 0.7438 0.8517 1.0234 0.7281 0.7489 0.8590 0.9009 0.6395 1.8739 0.8590 1.0440 0.6888 0.7707 0.4705 0.6285 0.7035 0.6317 0.8462 1.1506 1.5495 0.8114 1.0672 0.8797 0.8809 1.3923 1.4488 0.8879 1.0259 1.2104 0.5879 1.1760 1.4592 1.3373 1.1694 1.2022 0.8030 1.6160 0.8134 0.8186 2.1643 1.3035 0.6622 1.1657 0.6535 1.2623 0.6569 0.7216 0.8143 1.0000 1.1313 1.0869 1.0134 0.6412 0.9679 lamotrigine 0.6402 0.6402 1.3342 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6807 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 1.3193 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 0.6402 lanthionine 0.4744 0.9350 0.5964 0.6911 0.5320 1.1180 0.6596 2.0077 0.4963 1.8879 0.4883 1.8445 1.0458 0.7020 0.8480 1.1129 2.1922 0.7714 2.9655 0.2594 0.2594 0.4153 0.5868 0.8582 0.7624 0.5231 2.3614 0.5598 0.2594 0.2594 0.2594 2.1741 0.2594 0.7797 1.2901 0.4670 1.2847 1.1173 3.3155 0.2594 1.2571 1.3050 0.6217 0.2594 3.9938 0.2594 4.1733 4.0783 3.6093 1.0729 0.7557 14.7827 0.7550 3.5612 1.5426 1.3836 1.1072 0.2594 0.2594 0.2594 1.0958 0.7408 0.7704 0.5274 0.7025 0.2594 0.8771 1.1408 0.5350 0.2594 0.2594 0.7626 0.2594 0.7570 0.4894 3.3717 1.0078 1.6669 1.0000 0.7857 0.7143 0.7112 1.7296 0.5181 2.4384 0.2594 2.0445 0.8824 1.2414 0.9432 0.9729 1.1874 2.3637 0.2594 2.0113 1.2018 1.1724 0.7965 1.2530 1.5065 0.2594 1.6077 0.2594 0.5909 1.4951 1.0241 0.9792 0.3979 0.2594 1.2163 0.2594 0.2594 0.8108 0.7071 0.2594 0.5568 1.1018 1.0569 0.7065 2.5098 1.0371 0.8697 1.2343 0.8901 0.5783 2.0538 0.2594 0.7321 1.0354 0.7706 0.7512 laurate (12:0) 0.8207 1.1373 1.2834 1.0072 0.8659 2.4147 1.2029 0.4159 0.8185 1.0491 1.1345 0.6397 1.4083 1.9834 1.2195 1.4448 0.5631 0.5869 0.3694 2.2419 1.2652 0.9000 0.9839 0.8345 1.1078 1.1522 0.5497 0.9154 0.8269 0.4443 0.6204 0.7188 3.2192 0.9745 0.5551 0.8656 0.8412 0.4028 0.8052 1.2764 0.6204 1.2660 0.5949 0.8136 0.8451 0.6925 1.6693 0.8055 0.3550 0.4779 0.9004 0.4325 1.2483 1.0091 1.4812 1.6778 1.8192 1.2266 1.5274 2.9453 0.7867 1.6135 2.5613 0.6622 1.2352 1.2237 1.2444 1.5237 0.7541 2.0094 2.1523 2.7793 0.8061 1.6489 0.7766 0.3824 3.8894 1.4983 2.0485 0.7854 3.8097 1.6899 1.9044 1.0000 1.7148 0.5886 0.7665 1.1762 0.6506 0.5900 0.8106 0.5597 1.1961 0.7411 0.2192 1.2567 1.4541 3.5531 1.1950 1.0992 0.8729 0.7076 0.9883 1.3325 0.7686 0.6281 0.8559 1.2187 0.7637 1.4281 1.5460 0.9917 1.5576 1.2470 0.6028 1.4355 0.7410 1.4551 0.6079 0.9033 1.7539 1.4701 0.9166 0.7829 0.7123 1.1467 0.6284 1.2203 1.6879 1.1908 0.9460 laurylcarnitine (C12) 0.7876 1.8320 1.2996 0.9341 1.0810 0.9031 0.9345 0.7159 0.9416 0.8755 1.1902 0.6933 0.9286 0.8088 0.5419 1.2432 0.7029 1.2109 0.8311 0.8421 0.6290 1.5448 0.8701 0.6565 1.1757 0.7458 3.1447 0.4741 0.8448 0.7788 0.8044 0.6491 0.8107 2.3917 1.0731 1.2592 2.2053 1.2705 0.8626 1.0715 1.1559 1.1180 1.0704 1.4670 1.0647 0.8543 0.5981 0.6916 0.9322 0.8647 4.3522 0.4055 0.6944 0.8716 0.6529 0.8336 0.6321 1.3143 1.5268 0.4961 0.7941 1.3462 1.4419 2.3706 0.5020 0.8795 1.0565 1.4580 0.5053 0.9084 2.2422 1.3670 1.0589 2.0987 0.7586 0.8673 0.4121 0.9968 1.4878 0.3802 0.9616 0.9435 1.6171 1.0345 1.0000 1.0044 1.6426 0.9042 0.9395 0.7454 0.9840 1.0909 1.0267 0.6925 0.2068 1.6682 4.7832 0.8786 1.8184 1.7710 0.6339 1.2572 0.9729 3.0516 0.6797 1.8935 1.3951 1.0955 1.0896 1.7217 1.6187 1.0682 1.1961 1.3681 1.7243 1.4856 0.7672 0.8246 1.2692 0.7438 2.3790 2.2378 1.1632 1.2634 0.8723 1.4014 0.6711 2.4406 2.9956 2.2467 0.8177 leucine 0.7758 1.1837 1.0953 0.8769 1.0422 0.7260 1.0709 1.1874 0.7996 1.0865 1.1074 0.9272 0.8895 0.7060 1.0940 1.1691 1.6774 1.2542 1.1051 0.8802 1.0126 1.2997 0.9252 0.8650 1.1507 1.0686 1.0324 1.0866 1.2856 1.2559 1.2124 0.9429 1.1995 1.3191 1.1246 0.8562 0.9872 1.2071 1.0890 1.0855 1.3274 1.0194 0.9397 1.3192 1.2799 1.3782 0.9267 1.3486 1.0778 1.0723 0.8228 1.0661 0.6676 0.6283 0.9288 0.8515 0.8247 0.5888 0.9683 0.4817 0.8788 0.7691 1.0000 1.0899 0.7622 0.8243 0.8527 0.6679 0.8602 0.8053 0.7127 0.5623 0.6953 0.9322 0.9018 1.1480 0.6090 0.8710 0.7323 0.5826 0.7792 0.9776 1.0591 0.6764 0.9025 0.8925 0.9298 0.9201 0.7908 0.8974 0.8691 0.7793 0.9958 0.8426 0.9648 0.9297 1.2490 1.1894 1.2509 0.9895 1.0021 1.4088 1.0333 0.8573 1.1271 1.1269 1.1811 1.0066 1.2930 1.0399 1.1025 1.1215 0.8881 1.1007 1.3022 0.8128 1.0492 1.3829 1.1669 1.0265 0.8550 0.9904 1.1178 1.1390 0.9708 1.0624 1.0453 0.9188 0.8524 1.0870 1.0537 leucylalanine 0.6320 0.6676 0.8942 1.2788 0.2806 0.7401 1.5843 0.8019 0.5213 2.2988 0.7046 1.8428 0.3601 1.2927 1.1816 1.0913 2.1686 0.9778 1.7423 0.6241 1.1375 1.0358 1.1824 0.9229 0.7114 0.6489 0.9455 0.9972 0.8016 0.7431 1.4519 1.5303 1.5357 1.8383 1.0973 0.4433 0.4646 1.3943 0.7693 0.2806 1.5594 0.2806 0.9189 1.3360 2.5287 0.6680 3.0661 2.6786 3.9954 0.8220 0.2806 1.4480 1.1171 2.3349 1.1991 1.0137 0.2806 1.1294 0.9208 0.5557 0.2806 0.5335 1.0245 1.6876 0.2806 1.1678 1.3738 0.9108 0.5434 0.3766 0.4660 0.9135 1.2008 1.1290 0.2806 2.2607 1.1162 1.2987 0.2806 0.8099 0.2806 1.1722 1.4623 0.7855 1.6992 0.8088 0.8309 0.2806 0.5841 1.9475 1.6611 1.0408 2.6771 0.6405 1.2524 0.9106 0.2806 0.9591 1.2084 0.7151 0.8645 2.0101 1.4667 0.5872 0.5298 1.4651 0.7648 0.3558 1.5765 0.2806 0.8722 1.3506 0.5188 0.8168 0.6562 2.1346 1.6967 1.3504 0.5191 1.5131 0.5169 0.9142 0.7555 0.8927 0.6605 1.2316 0.7938 0.3697 0.2806 0.2806 1.0000 leucylglycine 0.5366 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.7735 0.3174 0.3174 0.3174 0.3174 0.7145 0.3174 0.4334 1.9132 0.3174 0.3174 0.3174 0.3174 0.3941 0.3174 3.2263 0.3174 0.9047 1.1710 0.3174 0.9531 0.3174 2.9106 1.1369 1.9660 1.2047 1.1116 0.3174 0.3174 1.0000 0.3174 1.0661 0.3174 0.3174 0.9302 0.8627 0.7078 0.3174 0.3174 0.3174 1.4268 2.4019 1.2180 1.1417 0.7452 0.3174 0.3174 1.7220 0.3174 0.3174 0.3174 0.3174 0.3174 2.1281 0.9042 0.3174 0.3174 1.6050 0.3174 0.3174 0.4812 0.3174 0.4753 0.3174 0.3174 0.3364 0.9520 0.9756 0.3174 0.3174 0.5400 1.0312 0.6282 0.7906 0.3174 0.3174 0.9134 0.3174 0.6309 0.3174 1.2678 0.3174 1.4484 0.3174 0.5838 1.1551 0.3174 0.3174 0.3174 0.3174 0.3174 1.4936 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 1.1275 3.2264 0.3174 1.9092 0.3681 0.3174 0.3174 0.3174 0.3174 0.3812 0.3174 0.3174 3.1209 0.3174 0.3174 1.1200 0.3174 0.3174 0.3174 0.3174 0.3174 0.3174 0.7889 2.2452 leucylphenylalanine/isoleucylphenylalanine 3.5911 0.4805 0.4805 0.4805 0.4805 0.4805 0.4805 1.2656 0.4805 0.4805 0.4805 13.6876 0.4805 2.7347 0.6106 0.4805 2.2176 1.0335 0.4805 0.4805 0.4805 25.0214 1.3136 0.4805 16.2885 0.8337 0.4805 0.5918 0.7697 1.1094 1.5700 0.4805 0.4805 0.4805 0.4805 1.9808 0.6743 0.5641 0.4805 13.9019 0.7529 0.4805 0.4805 18.3371 0.4805 2.5282 6.2487 0.4805 0.8142 1.9964 0.4805 0.7802 0.4805 0.4805 0.5455 1.8287 0.4805 0.4850 4.4917 5.0368 1.0000 0.4805 0.4805 0.4805 0.8189 11.1001 0.8179 0.4805 0.4805 0.5471 0.6227 16.6869 0.4805 0.4805 0.4805 0.8000 5.3660 0.4805 10.0479 0.4805 0.4805 0.4805 0.7912 0.4805 0.4805 4.1943 0.4805 1.5770 5.8794 0.8607 1.0686 7.8543 0.6170 0.4805 0.4805 0.4805 0.4937 0.6351 0.8338 0.6729 0.4805 0.4805 0.4805 0.4805 0.6401 0.4805 0.4805 0.4805 1.1848 0.4805 0.4805 0.4805 0.4805 0.4805 0.6528 0.4805 0.4805 0.4805 0.7570 0.4805 0.4805 0.4805 0.6228 0.4805 0.4805 0.4805 0.4805 0.4805 0.4805 0.5143 0.8730 levulinate (4-oxovalerate) 0.3121 0.8503 0.7283 0.3121 0.3121 0.6386 3.2683 0.3121 0.3121 1.1409 0.9988 0.3121 1.2370 0.3121 0.9583 2.6584 0.3121 0.7848 2.1849 1.0221 0.5959 0.3121 0.6097 0.3121 0.3121 0.3121 0.3121 1.3303 0.3121 0.7106 1.0665 1.0600 1.6828 1.1493 0.3121 1.7296 1.9613 0.3121 0.3121 1.0635 0.3276 0.3121 0.3121 1.4990 0.5182 0.3121 0.3121 1.3812 0.4481 0.3121 0.6751 1.3707 0.7304 5.4174 1.1068 0.5121 0.4900 0.3121 1.3002 0.3121 0.3121 2.1404 4.1757 0.6807 0.3121 0.3121 0.6947 0.3121 1.2611 0.4451 1.0943 0.3121 0.3121 0.3121 2.2472 0.9626 0.3121 0.3121 1.6620 0.4880 2.4298 0.3121 1.6605 0.3121 0.3121 0.3121 1.2215 0.3121 0.8451 0.3121 1.7390 0.3121 0.8357 0.7115 0.7068 2.1649 0.3121 1.1358 0.5964 0.9990 0.8085 3.1955 1.6238 0.6567 0.8070 1.4706 1.0456 0.3121 0.6273 0.8536 1.1394 0.8509 0.3121 1.4918 0.6168 0.8397 0.7891 1.0839 0.6190 0.3121 0.7572 0.7969 0.8979 1.0010 1.1388 0.3121 1.4933 1.3740 0.7342 0.7689 0.3121 lignoceroylcarnitine (C24)* 0.9874 1.0452 1.2318 1.7926 0.8898 1.0141 1.0017 1.0532 0.8087 1.4339 0.4606 2.5754 0.3197 0.8970 0.7786 0.6465 1.0000 0.5755 0.7722 0.8615 0.7233 0.7550 1.1678 0.5922 0.7675 1.4880 0.7009 0.5460 0.8320 0.6855 1.1477 1.2723 1.2655 0.6101 0.6825 1.0579 0.8840 1.5175 0.7980 0.3903 0.7697 0.8060 0.6626 0.8945 0.7559 0.6960 1.0959 0.9397 0.7513 0.9792 1.4992 1.7239 0.3489 2.4395 2.7496 1.6656 0.4757 1.4105 1.2115 2.4439 0.8586 1.0450 1.4731 0.9037 1.3359 1.2200 1.6840 0.9812 0.8775 2.0345 0.7936 0.8414 0.9411 2.1582 0.7539 0.8751 1.5993 1.2004 1.0440 1.6994 1.0073 1.4692 0.9462 1.1460 1.0619 2.8708 1.4937 0.7821 0.6111 1.0064 0.6344 1.4013 1.7531 2.1649 1.0440 1.0977 1.4283 0.6151 0.7497 1.0867 1.0838 1.4408 1.4997 1.0599 1.2327 2.3566 0.9893 0.7765 1.7382 1.3011 0.9322 0.8016 0.9679 1.3545 0.4952 0.8453 0.8854 0.8313 0.7332 0.9504 1.3841 0.9355 1.1061 1.0614 0.7412 1.3623 1.2816 1.2304 0.8689 0.9396 1.4023 linoleate (18:2n6) 1.3031 1.7558 1.3645 0.7116 1.0515 0.7865 0.8729 1.0001 0.6968 1.5733 1.8764 1.0642 1.9052 1.6584 1.2602 1.2473 0.2904 0.8895 0.6243 1.6722 0.7049 1.5115 1.2753 1.0818 1.8585 1.0912 0.7751 1.1369 0.5526 0.9799 0.9690 0.5904 1.0075 0.9701 0.8388 0.8376 0.8126 0.4395 0.7300 1.3032 0.3428 1.4342 0.8593 1.0321 0.7216 0.7450 0.6852 1.6242 0.7197 0.9280 0.7535 0.3310 0.6611 0.9565 0.4625 1.4439 0.4243 0.8376 0.9468 1.4610 0.8272 1.0479 0.8845 0.7311 1.2096 0.7904 1.1252 1.0907 0.4825 1.4678 1.2699 1.2399 1.0094 1.0257 0.9227 0.2999 1.7240 1.0953 1.3352 0.7327 1.0000 1.3780 1.4046 1.0760 0.8145 0.5461 0.7595 0.8157 0.8350 0.5116 0.5696 0.4490 0.6671 0.5213 0.1638 1.7054 1.6611 0.9581 1.2598 0.9404 1.6938 0.4411 0.7998 1.0981 1.0294 1.1007 1.6496 1.4923 1.0455 1.2717 1.9784 1.1431 0.9981 1.2011 1.2381 1.3915 0.8817 0.9894 0.8479 1.1296 1.2124 0.9410 0.8366 1.2171 0.8746 1.6400 1.0642 1.2173 2.1155 0.8712 1.2248 linolenate [alpha or gamma; (18:3n3 or 6)] 1.3467 1.7237 1.6654 0.8378 0.9566 0.8165 0.8678 2.0858 0.8307 2.5356 1.8445 0.9907 2.5930 2.3229 1.3523 1.5297 0.3598 0.7175 0.4746 2.1429 0.7144 1.4835 1.1775 1.4874 2.0379 1.1807 0.6789 1.0733 0.4876 0.8138 0.9338 0.7377 1.3061 0.9386 0.6915 0.9098 0.7674 0.5480 0.6954 1.1420 0.3319 1.3859 0.7179 1.1247 0.7989 0.5449 0.7913 2.8081 0.7303 0.7856 0.7672 0.3274 0.7173 0.8132 0.3529 1.5911 0.6007 0.8811 1.0442 1.7438 0.8913 1.3769 1.0113 0.8937 1.8410 0.8513 1.5968 1.4504 0.5435 1.9027 1.6977 1.9138 0.8175 1.0728 1.0503 0.3215 2.2674 1.1922 1.7572 0.7901 1.8866 1.3017 1.5793 0.9777 0.8664 0.4944 0.7908 1.0013 1.0919 0.3697 0.5330 0.4585 0.6095 0.6871 0.1751 1.6643 3.5647 0.9054 1.3474 0.7713 2.4373 0.4225 0.8501 0.9267 1.1480 0.8742 1.9407 1.7530 0.8338 1.5872 2.8923 1.0497 1.1003 1.4085 1.1132 1.5966 0.9441 1.0000 0.7176 1.1689 1.5316 0.7880 0.7230 1.3694 0.9012 1.4465 1.1982 1.0054 3.6845 0.8584 1.2607 linolenoylcarnitine (C18:3)* 1.4299 1.5022 0.9478 1.3866 1.3738 0.7919 1.0336 2.3777 0.6044 1.8724 1.2260 0.9885 1.1011 1.1959 0.6538 1.2593 1.4295 1.1593 0.9364 1.1199 0.4953 1.1577 0.7568 0.9376 1.0539 1.2539 1.0497 0.5732 0.5322 0.9392 0.8945 1.4446 0.5658 0.7270 0.9109 1.0439 1.3934 1.5566 0.7789 1.0000 0.7294 0.9958 1.0457 1.5868 0.8145 0.5146 1.1928 0.9495 1.6054 0.7838 1.3612 0.9350 0.5076 1.0382 0.5464 1.0710 0.5473 1.0960 0.5596 1.0186 0.6740 0.9309 0.9530 2.3178 0.7010 0.6912 1.5374 1.0744 0.5225 0.6241 1.4936 1.4687 1.0710 0.5401 0.7787 1.2552 0.6759 0.8903 0.6763 1.0160 1.0225 1.0838 1.3557 1.1313 0.7715 0.8535 1.1559 1.2245 0.7747 0.9504 0.7242 0.5547 0.5977 1.0279 0.5226 1.1181 2.6316 0.6228 1.0460 1.2407 2.0755 1.1719 0.6749 0.8845 0.7791 1.0713 1.4102 0.9207 1.1920 1.4959 2.0029 0.9771 1.3718 0.9691 1.0258 1.2598 0.7224 1.0316 0.9830 0.7998 0.9757 0.6124 1.1659 1.2406 0.6829 1.1499 0.9730 0.8521 1.7654 0.8004 0.7526 linoleoyl ethanolamide 1.9996 1.4952 1.4092 0.9661 1.2422 0.6552 1.4217 1.1474 0.6636 2.6858 2.0835 1.3605 1.2633 1.4376 1.6739 1.3434 0.8916 1.7135 0.6202 2.5481 0.5387 0.9721 1.1972 0.4370 2.8583 0.9426 0.5781 1.0548 0.4974 0.3893 1.1819 0.6967 0.9122 0.8115 0.6013 0.9972 0.9692 0.7999 0.4624 0.7579 0.5742 2.0955 0.7449 0.9192 0.6466 0.4114 1.1248 1.5382 0.8234 0.8318 0.6213 0.3650 0.3975 0.4847 0.4661 1.8282 0.4887 0.6765 0.8876 1.3249 0.7347 0.8512 0.6666 0.6695 1.6278 0.6983 1.5446 0.8482 0.3650 2.0485 1.2852 0.6503 0.8506 0.6646 0.6669 0.4420 1.6287 0.8194 1.6240 0.9091 0.6972 1.2820 1.3716 0.8781 0.6021 0.5849 0.3650 1.0144 0.7612 0.7911 0.3650 0.5003 0.4745 0.4444 0.3650 1.3875 2.2158 1.0028 2.0455 1.0774 1.1979 0.3650 0.4253 1.1512 1.0150 0.9131 1.1135 1.7294 1.2192 0.8259 1.6613 0.9360 1.6180 1.4049 1.5298 1.4812 1.2052 1.2678 1.0067 0.9359 1.6937 1.0323 1.1798 1.3975 1.1409 2.5447 1.5973 1.2795 2.9906 1.1207 1.8962 linoleoylcarnitine (C18:2)* 1.1856 1.3935 0.6831 1.4477 1.5047 0.8724 1.0352 1.5502 0.6528 1.0959 1.2176 1.1485 1.0249 0.9401 0.6945 1.1598 1.1618 1.8949 1.0101 1.2327 0.6171 1.1334 0.9382 0.6674 1.2798 1.2149 1.1127 0.8577 0.6394 1.0924 0.8200 1.3013 0.5364 1.0000 1.4074 1.1808 0.9830 1.4010 0.8382 1.1778 0.8904 1.2179 1.1121 1.4280 0.6851 0.7161 0.9876 0.8458 1.2934 0.9225 1.2752 0.9194 0.4022 1.3324 0.9029 1.3362 0.5129 1.3418 0.6997 1.0596 0.6015 0.7405 0.8525 1.8521 0.7500 0.7504 1.2692 1.0305 0.6298 0.6086 1.1118 1.1815 0.9852 0.6931 0.7443 1.0788 0.7724 0.9661 0.8505 1.1098 0.6770 1.2667 1.4701 1.1619 0.8577 0.9680 1.0517 1.1283 0.6092 0.9746 0.8142 0.7295 0.8187 0.7167 0.5424 1.2658 1.3918 0.6362 1.1430 1.4022 1.8570 1.1284 0.6630 0.9573 0.9367 1.2905 1.2074 0.9622 1.2645 1.0588 1.6060 1.1259 1.2295 0.8404 1.1011 1.1504 0.6925 0.9014 0.9117 0.6124 0.7900 0.6008 1.0426 0.9890 0.6587 1.4098 0.8153 1.0264 1.8428 0.7257 0.6372 linoleoylcholine* 0.3033 2.9134 0.3870 0.4325 1.2435 0.0477 0.0757 0.0552 1.3225 0.1248 0.1948 1.0701 0.3630 0.4942 1.5428 0.7350 0.1392 0.4668 0.0510 0.3190 0.1763 0.9452 0.3703 0.1859 0.3591 1.1576 1.9378 0.3130 0.7828 1.4091 0.3068 1.2699 0.1663 1.9084 0.2451 0.5880 6.8448 1.1386 0.5079 0.0477 0.3012 0.4990 1.0685 0.5992 0.9577 0.1594 1.7642 0.1313 0.0477 0.9425 0.8222 0.5516 0.4938 1.0202 5.8850 4.9323 2.6964 1.2988 1.5820 1.5532 0.8682 1.4874 1.0000 1.8799 2.4867 3.7444 5.4098 1.4852 2.2733 1.4881 0.7580 0.0668 1.8050 0.9065 1.8251 1.8418 1.1845 2.4506 3.3769 7.2070 3.1145 2.3494 3.5608 5.5540 1.5834 2.4892 4.7670 5.8783 2.1296 7.2794 6.3272 0.9514 5.6439 1.5696 2.5466 1.4937 0.0822 0.2596 0.9052 2.6683 0.3763 1.2186 0.4480 1.4185 1.5903 0.1448 1.7728 0.4147 0.5928 0.4697 0.8511 0.3474 2.5356 0.0624 1.1840 1.5548 0.1905 0.0735 0.9957 0.7312 2.6658 0.5303 0.6581 0.9688 1.4948 0.8494 0.7303 2.9092 2.0224 0.3606 2.7312 lithocholate sulfate (1) 0.4367 0.2085 1.2470 0.5657 0.8513 1.1589 2.6052 1.5886 3.5814 5.4414 0.9977 1.5749 1.0425 1.5212 0.4868 0.8637 0.2085 0.8600 0.9845 0.6803 3.0462 3.7026 0.5503 6.2989 0.2085 0.2350 0.4688 0.3863 0.5593 0.2085 0.2085 0.9303 1.0455 1.8539 6.1523 3.3758 1.5207 0.7270 0.4949 0.2928 0.2085 4.4946 0.4191 0.9437 6.6307 15.6970 0.4408 0.5889 3.4102 1.1136 8.6077 1.7610 0.2085 0.3863 0.2085 0.9571 0.6913 0.2085 0.9357 0.7899 0.4266 0.4384 0.8080 0.2801 2.7812 0.2085 2.1063 2.4374 0.2085 5.0343 0.9960 0.2085 0.4115 0.2085 0.3268 0.4719 0.8907 0.4160 0.3877 1.3953 1.3247 2.7637 0.6384 2.0850 1.0187 0.2085 0.6375 2.3109 1.1352 0.3288 1.8028 1.8100 0.4574 0.2085 1.4590 3.4353 5.2697 2.7783 1.9953 0.5231 0.2085 0.7927 0.5160 0.4289 1.4519 1.6266 0.6473 0.5615 0.9038 2.5783 0.6133 1.3865 0.7985 0.2085 2.0799 5.1563 1.1824 3.9057 1.0000 2.1961 0.7584 5.8523 0.6571 0.3225 1.4906 1.8920 3.3416 0.5581 0.6357 1.2686 4.7336 lysine 0.8785 1.0054 1.0479 1.0297 1.2025 0.9455 0.8685 0.9966 0.9370 0.9693 1.1524 0.8779 1.0847 0.9230 0.8249 0.8948 1.2678 1.2961 1.1166 1.0266 0.9594 1.0909 1.0053 0.8139 0.9145 1.0864 0.9686 0.8969 1.1015 1.2781 1.0834 0.9503 1.0884 1.1362 1.1302 0.9158 1.1488 0.8644 1.0941 1.0177 1.1539 1.1330 1.1697 1.0754 1.1498 1.3264 1.1695 1.0816 0.8313 1.0756 0.9861 0.9439 0.7055 0.6251 0.9039 0.9706 1.2277 0.6339 0.7979 0.6559 1.0271 0.9869 0.8591 0.9075 0.9905 1.2026 0.8551 0.6607 1.0103 0.8669 0.8262 0.8190 0.8474 0.8708 0.9585 1.0363 0.7008 0.7738 0.9538 0.5979 0.7904 1.0438 0.7042 0.8293 0.8019 1.0000 1.0567 1.0628 0.7923 0.9598 1.0624 0.9351 1.0014 0.8455 1.1254 1.0064 1.1256 1.0807 0.9665 1.0061 1.0295 1.0886 0.9310 0.9132 1.1745 0.8448 1.0206 1.1525 1.1678 0.9085 1.0157 1.2399 1.0569 1.2110 0.8618 0.9567 1.1924 1.1326 1.3135 1.1426 0.6373 1.0768 0.8072 1.0424 0.9907 0.9888 1.1961 0.8759 1.0809 1.0983 0.8658 malate 1.7408 1.0446 1.1377 1.0265 0.4800 0.9785 0.9010 1.1829 0.8976 1.0237 1.3825 1.1880 1.3221 0.7976 0.8004 1.5389 1.2668 1.1731 0.9591 1.1410 0.9457 1.0506 1.2587 1.2102 0.8447 1.0352 0.9748 0.8334 0.8071 1.1426 1.0292 0.8086 1.3666 0.9171 1.1757 1.2122 0.7774 1.0052 1.3471 0.6549 1.2029 1.6415 1.0000 1.1077 2.2450 1.2284 1.0612 1.3628 1.4414 1.2655 1.0693 1.0428 0.7635 1.0040 1.0950 0.9225 0.8620 0.8436 0.7663 1.1291 0.9437 1.0883 1.0454 0.7270 0.9589 0.9405 1.0472 1.0957 0.7128 0.9272 1.2165 0.8011 0.6955 0.9967 0.7049 1.0537 1.0840 0.9989 0.7409 0.8757 1.0190 0.9600 1.0958 1.0891 0.8507 0.8779 1.0122 1.2096 0.7484 0.7301 0.7046 0.9545 1.0073 0.9000 0.7533 0.9967 1.0602 0.6450 1.1609 1.2705 0.8592 1.4332 0.7467 0.9005 0.5593 1.2051 0.7797 0.9987 1.0100 1.0994 1.2497 0.9771 1.0661 1.0121 0.6715 0.9737 1.1671 1.0606 0.7587 0.8477 0.8304 0.9836 0.7834 0.9822 0.6249 1.2293 0.7841 0.6945 1.0091 0.8889 0.7929 maleate 2.3205 0.8420 1.9256 0.8607 1.5313 0.9650 0.6912 1.4129 1.0044 1.1371 1.0520 1.0838 0.9135 1.1511 1.2086 1.1069 1.2353 0.7287 1.2577 0.9329 1.7572 0.9603 0.8465 1.8173 0.7980 0.7542 1.1385 1.0000 0.9926 15.2226 1.5530 1.4463 2.1970 1.0653 1.9368 1.1319 0.7181 0.7101 1.4931 0.8692 1.4540 1.7296 1.0559 0.6470 2.2784 1.1232 1.0910 1.7116 1.9941 1.0920 1.5828 0.8993 0.5616 1.0149 0.7950 0.9346 0.8169 0.9849 2.2486 1.0271 0.6515 0.9179 0.5270 0.6493 0.8226 0.7390 1.0008 1.0326 0.4606 0.7329 0.8109 0.4865 0.5451 0.8585 0.6448 0.7322 1.1203 0.8789 0.9828 0.6220 0.8048 0.8144 1.0751 1.4570 1.0794 0.6346 0.7172 1.0277 0.7129 0.7541 0.9737 0.8698 0.9595 0.9823 0.6489 1.1710 1.1772 1.5461 0.9690 0.8906 0.8580 6.6267 0.8416 1.0096 0.8603 1.2672 0.5580 1.4104 1.1002 1.3500 1.0596 1.1043 0.9631 1.3826 0.8768 1.2571 1.1862 1.1754 0.9058 1.1946 0.7142 1.3853 0.6775 0.8459 0.7461 1.4791 1.1626 1.0093 1.6880 0.5780 0.9498 malonate 1.2697 1.1046 1.1543 0.9262 1.4496 0.0800 0.6284 1.0901 0.8352 0.9453 1.5361 1.0530 1.2555 0.9565 0.8610 1.2844 0.7899 1.0527 0.6758 0.8918 0.9517 1.0527 0.7568 0.8447 1.3162 1.0750 1.2239 1.2511 0.9620 1.1248 1.0120 0.9873 1.2364 1.1408 0.8773 0.9754 0.7928 0.6195 1.0716 0.3960 0.6246 1.3905 0.6434 0.8914 1.7328 1.1413 1.1874 1.2407 1.2257 0.9322 0.2872 0.7027 0.8329 1.2809 0.7773 1.0187 0.9683 1.0189 1.1461 1.1961 0.7489 0.5345 0.7719 0.7484 0.8152 0.9569 1.2011 0.9255 0.7476 0.8409 0.9257 1.0992 1.0917 0.9381 0.7732 1.0287 1.4337 1.2121 1.2439 1.1275 1.2545 1.2197 1.3414 1.3383 0.7812 0.7062 0.9414 1.0961 0.8939 1.0323 0.6878 1.2832 1.0115 1.1076 0.9753 1.3488 1.2388 0.9522 0.8957 1.0784 1.0000 1.0812 0.8488 0.9379 0.8786 0.4257 0.9546 0.9370 0.9309 1.1824 0.9184 1.0944 1.3433 0.6491 1.2223 1.3269 0.8992 0.9750 0.9646 0.7224 1.0114 1.0681 1.0131 0.5853 0.5618 1.3384 1.0641 0.9603 1.0581 1.3871 1.1467 maltose 1.5283 2.4982 2.4523 0.6338 0.0974 0.3936 0.8741 1.3040 1.2772 0.4003 1.5144 1.7736 1.5272 0.4410 1.8526 1.3817 1.1018 1.3483 1.5443 0.3610 1.3665 1.3081 1.3473 0.2997 1.7181 0.6159 1.3914 0.9050 0.7710 1.1381 1.2416 1.4492 1.6345 1.9271 0.4793 0.9620 1.5617 1.0354 1.0882 0.3894 0.6570 0.7133 0.9733 1.7199 1.2748 1.4192 1.4207 1.8648 2.1380 1.7471 0.5337 0.9003 1.3545 1.0243 1.9226 1.1470 0.7767 1.0890 1.9269 1.2852 0.7018 0.6380 1.7066 0.8744 1.4496 1.2300 1.2833 1.3742 1.0597 0.7126 1.0000 0.8095 0.3080 1.8635 0.6209 1.0925 1.1203 0.3180 1.3514 1.9940 1.4202 0.4528 1.5768 1.4007 0.3277 1.7401 3.8275 1.2892 1.2087 1.0615 0.1690 0.9026 1.8211 0.1207 1.2025 0.4652 0.3989 0.3480 1.3490 0.4551 0.6406 0.3280 0.1652 0.3364 0.3192 0.1676 0.1802 0.5337 0.9498 0.2354 1.1678 0.2949 0.6901 0.3993 0.2864 0.3486 1.2011 0.1015 0.2225 0.5805 1.2338 0.4374 0.9592 0.4750 0.1702 0.5463 0.7387 0.0839 0.3100 0.2343 0.4035 maltotetraose 1.9934 0.9223 1.6136 0.3464 0.0960 0.1864 0.8485 1.5126 0.8528 0.5037 2.0842 1.0050 1.2761 1.2814 1.5414 2.1523 0.4068 0.9491 0.3388 1.0146 2.6456 1.6979 2.7791 0.8099 2.1291 0.9458 2.0278 1.8529 1.5871 2.3333 1.8058 2.5018 2.8699 2.1423 1.2687 0.8626 2.0249 1.4070 1.4437 0.7773 1.2960 0.9325 2.8943 1.9862 2.7249 0.9527 1.3046 2.1335 0.8553 1.2983 1.3131 1.5905 1.6199 0.7274 0.9711 0.4819 0.5467 0.3913 0.9408 0.4659 0.8602 0.4526 1.1806 0.5364 0.5572 1.3536 0.6045 1.4195 1.0285 0.2176 0.6452 0.4848 0.2608 1.1539 0.5946 1.1666 1.7388 0.0960 1.1244 1.5843 3.3783 0.3510 2.3201 1.1677 0.2274 0.9557 0.3716 0.9430 0.7887 0.9635 0.0960 0.4973 2.0072 0.0960 0.6151 0.8271 0.4362 0.6852 1.3708 1.5191 1.2066 0.4796 0.4487 0.4750 0.5796 0.9950 0.2534 1.9487 3.2930 0.4612 3.4505 0.7769 1.3987 1.4611 0.4394 0.5214 0.4149 0.4741 0.6126 1.7219 1.6285 1.0404 2.5521 0.6454 0.0960 0.9190 1.2033 0.0960 0.4113 0.9218 1.5012 maltotriose 1.5902 1.6622 1.8720 0.7432 0.0632 0.2784 0.8872 1.4437 1.1373 0.4696 1.6621 1.4559 1.3488 0.8695 1.6530 1.5739 0.9318 1.1757 0.8789 0.7025 1.9876 1.5052 1.8691 0.5515 1.9667 0.7999 1.6364 1.2142 1.0978 1.7428 1.3893 1.8166 1.9868 2.1411 0.8222 0.9774 1.7525 1.2469 1.3056 0.6781 1.2202 0.7913 1.6495 1.7001 2.1869 1.1721 1.5190 2.0299 1.4179 2.0875 1.0042 1.2886 1.3013 0.6850 1.5854 0.9322 1.0077 0.7253 1.4801 0.8754 0.6839 0.5240 1.2717 0.6868 1.0159 1.2761 0.9150 1.3069 1.0032 0.4414 0.8005 0.7196 0.2787 1.3830 0.6042 1.2247 1.0374 0.2699 1.1239 1.3664 1.9717 0.3528 1.9178 1.1644 0.2202 1.2651 2.4859 1.1472 0.9434 0.9797 0.1422 0.7522 1.7584 0.0692 0.8925 0.6112 0.4070 0.4126 1.5056 0.8841 0.8280 0.3907 0.2702 0.3149 0.3989 0.6208 0.1728 0.9968 1.8998 0.2958 1.9782 0.5504 0.8673 1.0110 0.3758 0.3954 0.9199 0.3181 0.3511 1.1047 1.2779 0.6455 1.4862 0.5692 0.2706 0.6974 0.9348 0.0632 0.2471 0.4303 0.8492 mannitol/sorbitol 1.1275 0.6689 1.3629 2.9440 1.0000 2.0145 2.9636 8.5621 0.6634 1.3386 1.1969 0.8640 0.6922 0.8608 0.7922 1.2936 2.9589 0.7505 2.5944 0.8830 5.9734 1.1598 0.6143 13.7887 0.8224 4.1615 0.8724 0.9524 1.0550 2.8310 2.7412 12.7304 2.8057 0.7617 9.2917 4.6792 0.6235 1.3504 2.3288 5.8521 11.5421 0.8334 0.8200 0.7770 13.0203 0.6492 2.0055 1.1235 5.2919 0.9939 1.0450 0.9062 0.8161 0.9777 1.3528 0.4817 3.8644 0.6573 0.5118 0.8053 14.9799 1.0209 1.4604 1.3364 0.5430 0.5436 0.9870 2.4180 0.6207 0.5413 1.9226 8.5359 0.6272 2.0727 0.4857 0.6791 1.2577 0.6848 0.7037 0.6443 1.4830 1.3048 1.3174 0.7010 0.6306 0.5520 0.8871 0.8492 2.7819 0.8571 0.5486 0.4273 0.8087 0.4756 1.4493 1.0731 1.3725 0.9298 1.8291 2.4036 0.7742 9.7931 0.9424 0.7023 0.8435 0.7998 0.6555 0.8291 2.6001 1.2636 0.8094 0.9763 2.8429 1.0098 0.9849 10.7186 1.7457 1.3561 0.9072 1.7400 0.7476 0.9316 0.9202 3.8749 0.5922 2.8165 1.4821 0.6424 2.7550 0.5733 1.0770 mannonate* 1.3163 1.2160 1.4840 1.1289 1.0984 0.8690 1.1975 1.6020 0.7626 1.1346 1.1657 1.1214 0.9743 1.3532 1.0839 3.0609 1.1936 0.9458 3.3022 1.6595 1.2737 0.8462 1.0925 1.2124 0.8246 1.3049 1.4077 1.3792 0.8953 1.0000 1.3635 0.8573 1.0859 1.3152 1.8462 1.5245 0.6980 1.0032 1.2934 0.9000 0.6047 1.6283 1.0127 1.1666 1.9792 0.9299 1.0993 1.0439 2.7156 1.4295 1.2680 0.9115 0.4802 0.7152 0.6125 0.8296 0.4850 0.8080 0.6677 0.8282 1.0157 0.6186 0.8434 0.5685 0.5499 0.5431 0.8264 0.7168 0.5453 0.6459 0.4474 0.8599 0.7420 0.5618 0.5640 0.5883 0.4975 0.8804 0.6539 0.6012 0.5327 0.6483 0.7888 0.9058 0.4709 0.6613 0.7778 0.8883 0.5496 0.6767 0.8549 0.4625 0.9707 0.6121 0.4618 1.0982 1.6263 1.3602 1.4270 1.0480 1.3661 1.4053 1.1034 1.0734 1.1855 1.3730 0.7851 1.1966 0.7958 1.0168 0.8685 1.9063 0.9409 2.1153 1.0839 0.9948 1.3653 1.6749 1.1374 1.0439 0.8011 2.0725 1.0576 1.2427 0.6954 0.9915 1.3468 1.0964 0.8967 1.0970 0.9610 mannose 1.2827 1.0931 1.5493 1.1377 1.5868 0.6657 1.2008 1.8100 0.9471 1.5740 1.0154 1.0349 1.0547 1.1448 1.3358 1.1655 0.8070 1.2333 1.4944 1.2872 1.4037 1.2948 1.5468 0.9325 1.4375 1.1243 1.4235 1.4059 1.1291 1.0000 1.1281 0.9086 0.9272 1.4716 1.4067 1.5016 0.7763 0.8649 1.1133 1.1832 0.6323 1.2955 1.2572 1.3989 1.5707 1.5072 0.9408 1.3783 1.5971 1.6185 1.4620 1.3251 0.5275 0.7705 0.5533 0.6741 0.4184 0.6768 0.6772 0.5730 0.7085 0.4377 0.7233 0.5006 0.6387 0.6817 0.8092 0.9345 0.5609 0.8501 0.4360 0.4774 0.8204 0.6231 0.5710 0.6450 0.5622 0.7233 0.6565 0.6059 0.4856 0.5844 0.7799 0.7424 0.5370 0.5604 0.9290 0.6746 0.5821 0.7388 0.7009 0.5860 0.8352 0.6414 0.5753 1.0448 2.6490 1.4843 1.2518 0.9926 0.8859 1.2198 1.2651 1.1016 1.0356 1.3501 0.8878 1.4210 0.6551 0.7510 0.8430 1.4580 0.9187 1.8089 1.0723 0.6884 1.0959 1.4795 1.3465 1.1219 1.0625 1.4455 1.1819 1.1322 0.7020 1.0867 1.3884 0.9240 0.9880 0.9831 1.0186 maprotiline 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 1.9450 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 0.0550 margarate (17:0) 0.9197 1.6176 1.4079 0.6958 1.2579 0.7933 0.8892 0.6573 0.8046 1.7488 1.7741 0.7336 1.5381 1.6351 1.4861 1.2344 0.3902 0.6671 0.8271 1.1484 0.9653 1.2975 0.9924 1.1926 2.3712 1.0467 1.1528 1.0934 0.5928 1.0598 1.2380 0.6124 1.5582 0.8254 0.8140 0.6870 0.7835 0.5616 0.7772 0.8080 0.6019 1.2414 0.7934 1.0921 1.0246 1.0889 1.1058 1.0293 0.7035 0.6277 0.7243 0.5014 0.7062 0.7784 0.4307 1.1141 0.7106 0.8627 1.1761 0.5894 0.9279 0.6142 0.6945 0.7997 1.1525 0.9288 1.0403 1.0852 0.7002 1.3452 1.0000 0.8748 1.1255 1.0047 0.8435 0.5279 1.1457 0.7916 1.5530 0.4855 1.0862 1.1552 1.1617 1.0229 0.8224 0.6333 0.9962 1.0647 0.6987 0.5416 0.5939 0.4973 0.6842 0.4618 0.2715 1.8846 2.1710 1.1934 1.4217 0.8982 0.9493 0.8282 0.6757 0.9537 1.0934 1.2335 1.7720 1.1046 1.3777 1.0855 1.1151 1.0822 0.7259 1.2145 1.2376 0.8669 0.8353 1.2234 0.9585 1.4238 1.5163 1.1062 1.0324 0.9418 0.8758 1.7370 1.1613 1.3380 1.4705 1.3288 1.1427 margaroylcarnitine (C17)* 0.7929 1.8400 1.2193 0.8389 1.0530 0.9129 1.4954 0.5778 0.5849 1.5240 1.4590 0.5087 1.0148 1.1509 0.9422 1.4559 0.9951 0.9777 1.0711 1.1070 0.8193 0.9097 1.0577 0.4124 1.7011 1.4644 2.0805 0.8745 0.7504 1.0731 1.3337 1.0030 1.1085 1.0668 0.7701 1.1624 0.9030 2.2821 0.5889 0.4431 1.1437 0.8981 1.0717 1.3786 1.1756 0.7758 1.4883 0.3749 0.7355 0.9082 0.8219 0.9923 0.5250 0.9555 0.5288 1.0770 1.0187 1.5300 1.1931 0.2962 1.1902 0.8036 1.1944 1.1890 0.9816 1.0996 0.9647 1.1708 1.2364 0.7474 0.6739 0.7788 0.9331 0.9970 0.6815 1.9102 0.6755 0.6601 1.5277 0.8251 1.4654 1.1367 1.0524 1.4508 0.8167 1.0304 1.7261 1.2081 0.5098 0.8185 0.7623 0.5904 0.7908 0.6325 0.2962 1.4319 1.4292 0.6756 1.3294 1.4886 0.8256 1.9633 0.7774 1.0051 1.1634 1.1389 1.4829 1.0423 2.0814 0.9896 0.9383 0.8787 0.9892 0.8334 0.8063 0.7067 0.6044 0.9365 0.8037 0.8098 0.9797 1.1425 1.3340 1.1228 0.8249 1.0352 1.1678 1.2836 1.5591 1.5190 0.5254 metabolonic lactone sulfate 1.3910 0.7282 3.1755 1.9304 0.5450 1.1219 0.8489 1.0000 0.6107 5.8664 1.9044 4.8636 0.2767 7.7735 0.8563 2.1837 0.9156 0.6798 1.7013 1.8626 0.5861 3.9754 3.1543 0.8790 1.4226 1.1969 0.1508 2.0195 0.5548 2.6191 1.7532 2.3108 2.4164 3.1176 2.9773 1.6863 0.7419 2.1784 0.9100 0.4045 2.7838 1.8352 2.1144 2.3562 1.6410 1.3272 1.0723 2.7365 0.6981 6.6461 1.6335 0.1894 0.2318 0.3229 0.1976 0.3396 0.1592 0.5718 0.4482 0.2594 0.2622 0.5093 0.7135 1.4916 0.3831 0.7057 0.5395 0.4559 0.5206 0.7121 0.5865 0.2798 0.2698 0.2346 0.3764 0.6070 0.5385 0.3019 0.2566 0.8104 0.8360 0.7182 0.4817 0.8195 0.4988 1.0071 0.3510 1.3760 0.1250 0.6258 0.3453 0.6677 0.6059 0.1910 0.6876 1.5798 0.5922 2.1579 1.7727 1.6945 1.2659 3.3467 1.7457 1.5404 1.5682 2.2096 1.3139 2.3871 1.9239 3.2897 2.5495 1.5954 1.9373 3.6468 0.2085 0.5072 1.3060 1.4044 2.7994 1.7684 0.1594 2.1303 0.5679 1.0170 1.3074 0.7611 4.2690 0.3723 0.2127 1.1899 4.2687 metformin 1.2563 0.0309 0.1897 0.0309 0.0309 2.4018 0.0550 2.2724 0.9412 0.0309 0.0309 0.0309 0.0309 0.0309 0.2068 0.0309 0.0309 0.0309 0.0309 0.0309 0.9555 0.0309 0.0309 1.5315 0.0309 0.0309 0.0309 0.1162 0.0472 0.9944 0.4398 0.0309 1.1005 0.2237 1.1843 0.0309 0.0309 0.0309 1.6683 0.0309 0.0309 1.0359 0.0309 0.0309 1.5254 0.5317 0.0309 1.0056 2.6177 0.1778 0.1231 1.1169 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 1.4243 0.0309 0.0309 0.0309 2.9803 0.0309 0.0309 0.0309 4.0074 0.0309 0.0309 1.4727 0.0309 0.0309 0.0309 0.0309 0.2516 0.0309 0.0309 0.7690 0.0407 0.0309 0.0309 0.0309 1.2523 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 methionine 0.8072 1.0491 0.8474 1.0525 1.9125 0.7043 0.8562 0.9020 0.9298 0.9446 0.8354 0.9846 0.9994 0.8426 0.7506 0.9961 2.3824 0.9812 0.7911 0.8916 1.4704 0.8093 1.1550 0.7158 1.0017 1.0447 1.1110 0.8415 1.0000 0.9675 0.7065 1.3679 1.2267 0.8677 0.8886 0.6868 0.8969 0.9559 1.1318 0.8185 1.3524 0.8467 1.1240 1.4551 0.9595 1.7116 1.0409 0.8092 1.1375 0.8706 1.0593 1.5225 1.4647 0.3997 1.3825 0.9064 1.1565 0.7005 0.6616 0.8679 0.9463 1.0995 0.9028 1.0729 1.0925 1.0556 1.0162 0.9100 1.3521 1.0940 1.1161 0.9194 0.7133 1.2569 0.9696 1.0495 1.4437 1.1337 0.8595 0.7707 0.9987 1.1255 0.9298 1.0233 1.0304 1.4886 1.0084 1.1449 0.9976 0.9335 0.9855 1.2930 0.9886 1.0353 1.6329 0.9903 1.0302 1.0904 1.0920 0.9410 0.9555 1.4401 1.0410 0.9066 1.1358 0.9074 1.0130 1.7297 1.0700 1.0306 1.2261 1.3701 1.0049 1.1496 0.7467 1.6447 1.0665 1.1588 1.0381 0.9999 0.7325 0.7349 1.0019 0.9263 0.9654 0.9465 1.2512 0.8760 1.0200 0.8484 0.7968 methionine sulfone 1.7777 0.8137 1.7621 1.2130 0.6174 1.4896 0.8068 1.3449 0.7486 1.1717 1.1633 1.4541 1.0124 0.9296 1.3682 1.6896 1.4943 0.2943 1.3252 0.7862 1.0015 0.3759 0.4012 0.7328 0.3910 0.4479 1.7144 1.2383 1.0364 1.0796 0.3930 1.8037 2.2586 1.3231 1.2541 1.2208 1.8321 0.7464 1.3199 1.1074 0.9250 0.9112 1.2121 0.8316 2.0893 1.1482 1.5390 1.7134 1.8756 1.1903 1.7223 3.3782 0.7075 1.2974 4.7331 0.8310 1.1933 0.9400 0.8725 0.7804 0.8743 0.8385 1.7091 0.2423 0.7771 0.3830 1.2938 0.8213 0.0610 0.9755 0.5277 1.4280 0.9121 0.7277 0.7628 0.6333 1.4072 1.0078 0.8858 0.7879 0.7190 1.1235 5.5268 1.2818 0.9725 0.7115 1.0000 0.9997 0.9683 1.3010 2.3884 0.6372 0.8907 1.3271 1.0767 0.8609 0.5738 0.8983 1.2210 1.8594 0.5261 1.0457 0.6004 1.0841 1.0050 1.0006 0.5788 0.9349 0.8095 1.0175 0.4537 0.3872 1.2656 0.5678 0.7897 1.7679 1.4427 0.9083 0.6797 0.9648 0.7945 0.6029 0.8151 1.1272 0.6855 0.9050 1.1403 1.2052 1.3176 0.8815 1.1035 methionine sulfoxide 0.9056 0.8075 0.9199 0.9170 0.8548 0.8873 1.1393 1.3729 1.1825 1.7387 1.0190 0.8688 1.1958 0.5747 1.1071 1.0757 3.4661 1.3354 1.2742 0.7734 1.0278 0.9809 1.0838 0.8591 0.8649 0.7444 0.8213 0.9875 1.0103 1.1485 1.1596 1.4458 1.4244 1.1986 0.9651 1.1739 0.8867 0.8297 1.3240 0.8590 0.9582 0.9624 0.9644 1.0982 1.7409 0.7761 1.1918 1.1529 1.2511 0.9507 0.7715 1.5736 0.8701 0.8445 2.3180 1.1111 0.9980 0.8739 0.8916 1.2782 0.9234 0.8607 1.1272 0.8994 0.8355 0.7946 0.7369 0.9194 0.8528 1.0809 1.0000 0.8282 0.7243 1.0769 0.8504 0.6577 0.6358 0.8425 0.7609 1.0080 1.0212 1.1340 1.3133 0.8238 0.8470 1.3168 1.0847 0.8016 1.1426 1.0484 1.1814 1.2688 0.7028 0.6132 2.3486 0.9434 0.9489 1.2481 1.2214 1.0564 1.2578 1.7339 0.9089 1.0288 1.6118 0.7930 0.9257 0.8831 1.0457 0.8674 0.9591 1.1859 1.2337 1.0284 0.9816 1.6899 1.0221 1.2836 0.9593 1.0581 0.8358 1.2528 1.0660 0.8807 1.1809 0.7632 1.0142 1.1867 1.0189 0.9322 0.9590 methyl glucopyranoside (alpha + beta) 0.4215 0.1541 0.1541 0.8039 0.1541 2.1572 0.1541 0.1541 0.8793 0.2872 0.1541 0.5339 0.1541 0.6011 3.0516 0.1541 0.3793 0.1541 0.1541 0.5419 1.3706 0.2575 0.1541 0.1541 0.1541 0.8407 0.1541 0.1541 0.1541 0.1541 0.1949 0.9577 0.1541 0.4039 0.4442 0.4823 0.4612 0.7419 0.3453 0.1541 0.2719 0.5129 0.5025 0.1541 0.5394 0.6721 0.8130 0.1541 0.2793 0.6897 0.5498 0.4647 1.8776 1.7782 1.9846 3.3391 1.2261 0.8305 11.9672 7.4539 1.2219 0.6329 3.1445 0.4706 0.9935 3.1558 0.8770 1.0817 1.0065 1.2689 0.9781 1.6126 4.9138 0.8459 1.1362 1.0705 4.4951 1.1247 1.4168 0.8566 1.0579 0.6925 1.8261 3.3399 1.6453 1.5212 0.6155 0.8224 4.3087 1.2353 1.0614 1.3536 0.8370 1.5437 5.5255 1.3225 0.1541 0.6060 1.0638 1.5669 1.0134 0.6383 0.5421 0.8572 1.4538 2.7226 1.0347 1.9679 8.6862 4.4767 2.1504 0.1541 1.1582 0.8084 0.4271 2.0084 0.4634 0.1541 0.7044 1.3974 0.7925 0.1541 0.4044 1.2981 1.8779 1.0166 0.5349 0.3026 3.3354 0.1541 1.1977 methyl indole-3-acetate 0.2569 0.3111 0.2569 0.5671 0.2569 0.4840 4.7261 0.2569 0.2569 2.0550 0.7008 0.6280 2.5906 0.2569 0.9099 2.3909 3.8755 2.5232 13.3694 0.9119 1.1877 1.4811 1.3094 0.7665 0.2569 1.2434 0.7965 1.5886 0.6548 0.5650 4.2066 1.1200 0.2569 1.3070 0.3436 1.0000 0.2919 0.5717 2.9785 0.2569 0.2569 0.2569 1.1926 1.4993 1.9621 0.2569 0.2569 3.6893 1.7405 2.2793 2.8613 1.8408 1.3757 0.8656 3.1258 0.7564 0.2569 0.2569 0.9622 0.2569 0.7061 0.7322 1.8346 1.4496 0.2569 0.8709 0.2569 0.7685 0.2569 0.8455 0.2569 0.2569 0.9809 0.4826 0.2569 1.0607 1.5479 0.3997 0.2569 0.6479 0.2569 1.2037 0.2569 0.2569 0.2569 0.4819 0.2569 0.2569 2.9592 1.3508 0.4377 0.2569 1.3417 0.2569 1.1089 1.4196 0.4830 0.7523 0.7337 1.3392 0.2569 3.8002 0.2569 0.2569 1.9254 0.2569 1.6481 0.5778 0.4495 0.8656 0.8709 0.2569 1.5767 0.4990 0.7743 1.2119 2.2327 0.7096 0.4222 0.7872 1.5930 0.6057 0.8267 0.9350 1.2679 0.2569 0.9957 1.0216 0.2569 0.5735 0.2569 methyl-4-hydroxybenzoate sulfate 4.0382 0.4669 4.8081 1.7655 7.6839 1.0652 0.5786 0.1701 3.3105 1.4096 0.8732 4.1819 0.8443 1.3928 3.2944 3.9163 0.3511 0.0424 0.2821 4.0070 2.1143 0.0424 10.3040 0.0521 0.0860 0.0848 0.2565 0.0424 0.1069 0.3026 0.0756 13.4043 2.3561 0.0424 0.0424 4.2342 3.6846 0.0424 0.3726 2.6086 62.9237 3.9403 2.1067 3.9546 0.7829 0.0424 0.5973 0.0424 0.1393 1.3659 0.3825 0.1037 0.1840 0.0651 7.0102 2.0827 1.1397 1.4302 0.2344 0.4217 0.2564 2.1483 0.7579 0.0880 0.3039 1.2443 0.1818 1.8689 0.8045 0.0567 8.8949 9.7020 1.1468 0.5715 2.0184 0.0545 1.7609 5.5381 1.3532 18.2628 0.0926 6.0283 0.0737 1.8987 0.0563 0.0626 6.8368 0.0804 7.7213 0.2970 1.7305 0.9525 3.2008 4.2693 0.2192 1.6054 1.5565 3.7793 0.1836 1.4898 0.7971 0.1426 0.4354 1.2719 3.4653 0.1772 0.0424 0.5971 1.7742 0.2860 0.0504 1.0475 0.6351 0.1328 0.0690 4.5809 1.5821 0.1167 0.0550 0.1123 3.0026 0.0424 0.3053 0.2669 1.2497 1.8053 0.8437 1.4113 0.3536 0.1103 5.8247 methylmalonate (MMA) 0.8386 0.9172 1.0607 1.4686 0.9613 1.1382 0.8530 0.9206 0.6903 0.7564 0.8069 1.9655 1.2489 1.0256 1.0391 1.1559 1.1324 1.5950 1.3719 0.9337 0.9789 0.8313 0.6725 0.8767 0.5469 0.6142 0.7993 0.6175 0.5743 0.9520 0.6123 0.8952 0.9623 1.3103 2.6781 1.1476 1.0000 1.3131 2.0523 0.6637 1.6853 2.6339 0.9148 0.8828 2.1589 0.8265 1.0106 0.9735 1.5956 0.7951 1.5831 0.9357 0.8042 3.0879 0.5871 0.8309 1.2464 0.7581 0.8628 4.3714 0.9843 1.0174 1.7033 0.9539 1.4915 0.7454 2.0351 1.7489 1.0141 1.7843 0.6313 0.7440 1.5598 0.7872 0.6759 0.9849 0.7165 0.8620 1.4144 1.0210 2.1389 1.0171 0.6550 1.2642 0.9633 0.8761 0.8470 1.2354 2.1960 1.2323 1.2234 2.3520 1.3105 0.4433 0.8908 1.2401 0.9007 0.8230 1.4373 0.6675 0.6522 1.4083 1.6543 0.8776 0.6992 1.4269 1.2115 1.3960 1.1622 1.6683 1.3854 1.7145 2.6122 0.6767 1.3428 1.0003 1.5474 2.3344 0.7816 1.0213 0.5908 1.2539 0.9345 1.0000 0.8235 0.8357 1.0295 1.5827 1.7774 0.7201 0.8317 methylsuccinate 0.8825 0.5639 0.6870 0.8600 1.1815 1.3227 1.0404 1.5514 1.2722 0.8320 1.2124 1.1469 0.5641 0.8754 1.1381 0.5180 1.1536 0.7985 0.6279 0.5780 1.1045 1.0000 0.8043 0.7680 0.5966 0.7782 1.4727 0.8977 0.9354 1.1230 0.9211 1.0784 0.9868 0.6585 0.9139 1.0725 1.7822 0.7044 0.6480 1.1572 1.2021 1.1398 0.9646 0.7424 1.1849 0.7005 0.9358 0.7155 1.8820 0.7513 1.2895 0.7771 0.6553 1.0644 0.7110 1.4370 1.1163 1.3357 1.4669 1.2791 0.5148 0.4387 0.7014 0.6568 1.3316 1.5531 1.3621 0.6399 0.6267 0.9489 1.1409 1.2740 0.7213 1.6198 1.1800 1.4212 0.7532 0.7311 1.3019 0.7505 0.9449 1.1470 1.2662 1.4025 1.3286 1.3942 0.8148 1.2232 1.4028 1.2973 1.1228 1.2374 1.3258 1.3553 1.5438 0.9253 1.2173 0.5062 1.0835 1.1338 1.0525 1.5776 0.9097 1.0934 1.4948 0.8237 0.6187 1.0732 0.8510 0.8971 0.4476 0.9266 0.6788 0.5874 0.9479 1.2659 0.9609 0.5458 1.1100 0.8706 0.7426 0.6965 1.0109 1.3179 0.4223 1.1875 0.7984 0.7322 1.9071 1.2860 1.0767 metoprolol 0.2731 0.2731 0.2731 0.2731 1.7668 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 6.7964 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.7218 0.2731 0.2731 2.1483 0.3331 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 1.2782 0.2731 0.2731 0.2731 0.2731 0.3105 0.2731 0.4831 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 2.2819 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 0.2731 metoprolol acid metabolite* 0.0093 0.0093 0.0093 0.0093 1.6388 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0173 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.7084 0.0093 0.0093 3.1898 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 3.2749 0.0093 0.0093 2.5367 0.4005 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0215 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 4.5217 0.7730 0.0093 0.0093 0.0093 1.4225 0.0093 1.0000 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 9.0939 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0093 0.0136 0.0093 0.0093 mycophenolic acid glucuronide 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 myo-inositol 1.0176 1.3171 1.7189 0.9839 1.5803 0.8515 0.7664 1.3428 0.6072 0.8816 1.2499 1.4912 1.0135 1.0000 1.3199 1.2565 1.1463 0.9856 1.5311 0.9330 1.6437 0.9336 0.8742 0.6652 1.5474 0.6106 1.7357 1.2812 1.2424 0.9369 0.9808 0.9307 0.8343 1.0383 0.9159 1.8520 1.2310 0.9276 0.8117 0.3359 0.6880 1.8867 0.9581 0.8865 1.3666 1.1322 1.1165 0.8660 2.0943 1.4851 0.5311 0.7768 0.6063 0.7413 0.7587 1.3722 0.8760 0.8526 1.2702 1.3569 0.9059 1.5338 1.6708 0.7621 0.8345 0.8335 1.4807 0.7249 0.7806 0.9088 0.9622 0.5005 0.6326 0.8113 0.6459 0.7854 0.5942 0.7426 1.6147 1.0325 1.1485 0.8948 1.8065 1.3671 0.8124 0.8712 0.9059 1.0256 1.6355 1.4238 0.9486 1.0382 0.9042 0.7719 0.7659 1.1997 1.6793 0.9168 1.3817 1.7067 0.7851 1.0475 0.9104 1.0955 1.5433 0.9751 0.8363 1.1647 2.5427 1.0890 1.0184 0.8301 1.5925 0.9922 1.3915 1.5309 2.2442 1.3402 1.0234 0.9894 0.9098 0.9124 1.1709 1.6551 0.9902 1.5282 1.5225 1.0069 2.1007 0.9929 1.3477 myristate (14:0) 0.9416 1.7136 1.8388 0.7447 0.8257 1.0998 1.0181 0.3521 1.0433 1.3786 2.2357 0.6512 2.1374 2.3281 1.6838 1.4951 0.2967 0.6124 0.5050 2.0846 0.9144 1.2511 1.4921 0.8435 1.9109 1.1605 0.7415 1.0448 0.6599 0.7491 0.9076 0.5475 1.9422 0.8122 0.6727 0.7722 0.7915 0.4321 0.8099 1.0164 0.5350 1.2482 0.5982 0.9771 0.9057 0.8407 0.9732 0.9835 0.3397 0.8003 0.5372 0.3857 1.1176 0.7640 0.5421 1.1894 0.8151 1.0000 1.1353 0.7004 1.0345 1.1268 1.3257 0.5207 1.6088 1.1356 0.9565 1.0352 0.6882 1.9110 1.5070 1.4437 0.7412 1.6205 0.7982 0.2827 2.4725 1.0838 1.9944 0.5174 1.6893 1.2474 1.4206 0.9911 0.9713 0.4675 0.6924 0.7761 0.7860 0.3918 0.5026 0.3751 0.5966 0.3920 0.1588 1.7544 1.4708 1.3809 1.3370 1.1229 1.0153 0.5962 0.9835 1.2439 1.2052 0.6839 1.3359 1.3403 0.9703 1.4053 1.6319 0.9805 0.9538 1.2534 0.9567 1.3013 0.8889 1.3041 0.8364 1.4032 1.4750 1.4694 0.7929 1.2160 1.0164 1.4003 1.2477 1.3995 2.2904 1.3990 1.1260 myristoleate (14:1n5) 1.0273 2.5109 1.9790 0.6714 0.5404 1.2412 1.2559 0.3243 0.8998 1.8750 3.4850 0.6638 2.2349 2.8050 1.5286 1.6472 0.1332 0.8685 0.4288 3.1262 0.7817 1.3175 2.5577 0.5261 1.3213 1.2439 0.6739 0.9909 0.5963 0.5812 0.7834 0.5796 1.8395 1.6514 0.9223 0.7157 0.9803 0.3096 0.5446 0.8465 0.3266 1.7347 0.5125 0.8656 0.6219 0.7223 0.8162 0.8740 0.2710 1.5560 0.9051 0.1979 1.4199 0.7187 0.3902 1.0948 0.8995 1.1182 1.3957 0.9566 0.7362 2.6936 1.5498 0.4789 1.7322 1.3616 0.7252 1.1626 0.4556 3.3753 2.4281 1.8966 0.7293 2.0697 0.7550 0.2139 1.9753 1.5048 1.8214 1.3490 1.9097 1.2595 1.6519 0.8435 0.7360 0.3210 0.6880 0.6541 0.7543 0.2988 0.4344 0.3053 0.4393 0.3679 0.0731 1.6902 2.3204 0.9878 1.0753 1.0875 1.0000 0.3949 1.1452 1.4681 1.0209 0.6038 0.9450 1.8067 0.9418 2.0185 1.7660 0.9179 1.2056 1.1174 0.9183 2.5489 1.1933 0.9912 1.0487 0.9487 1.5069 1.9254 0.6611 1.1210 1.3092 1.0943 1.6343 1.3074 4.5239 1.4690 1.0412 myristoleoylcarnitine (C14:1)* 1.1717 2.3020 1.2506 0.7783 0.9679 0.7531 1.0753 0.6974 0.7453 1.0818 2.3115 0.7666 1.2705 1.1089 0.4578 1.5675 0.4490 1.7405 0.9679 0.6940 0.5482 1.7217 0.9255 0.5379 1.9108 0.9262 2.0907 0.6296 0.9641 1.0830 0.7009 0.5994 0.7327 2.1887 1.4013 1.4500 2.2283 1.1576 0.8378 1.0410 0.7097 1.0156 1.3133 1.7269 1.1201 0.7924 0.4571 0.5071 0.9059 1.2881 3.1669 0.4139 0.6111 0.8545 0.5009 0.8799 0.4338 1.2317 1.2761 0.7172 0.5772 1.0249 0.9691 2.1287 0.4851 0.6822 0.6951 1.1700 0.3951 0.8461 1.9284 1.2535 1.5549 1.3664 0.8082 0.9053 0.6741 0.8833 1.0431 0.4996 0.9633 0.9981 1.3128 0.9751 0.8321 1.0000 1.3394 0.9557 1.0222 0.5186 0.8505 0.9531 0.9378 0.7853 0.1709 1.8851 3.3661 0.6671 1.7402 1.9012 0.8982 1.0347 0.9832 2.2246 0.5553 2.2337 1.6194 1.2232 1.3326 1.6553 1.5608 1.2327 1.4020 1.2540 1.8342 1.4945 0.7294 0.6855 1.2550 0.7478 1.4242 1.4256 1.2346 1.2902 0.8318 1.7659 0.8745 2.8011 3.3011 2.1291 0.7821 myristoylcarnitine (C14) 0.9652 1.5590 1.4508 0.8710 1.1551 1.0838 1.0229 0.6607 1.0236 1.0665 1.4153 0.6960 0.9829 1.2737 0.8003 1.2866 0.8014 1.0105 0.7886 0.9154 0.7486 1.3475 1.0054 0.7026 1.4167 0.9434 1.7381 0.6918 0.9524 1.0453 0.9313 0.7230 1.2927 1.7534 1.0526 1.3035 1.5827 1.0866 0.8784 0.8604 1.0208 1.0480 1.1292 1.5729 1.2531 0.7234 0.7230 0.6796 0.6476 0.9476 2.3054 0.7164 0.6414 0.8165 0.6204 0.7375 0.6170 1.1139 1.0409 0.3170 0.8955 0.7796 1.1277 1.6148 0.6415 0.9023 0.6937 1.0880 0.5799 0.6997 1.1895 0.8610 1.0018 1.3813 0.6127 0.8210 0.6549 0.5999 1.0803 0.4075 1.0014 0.8430 1.1711 0.9638 0.7089 0.8195 1.4921 0.7586 0.6407 0.7174 0.6548 0.6453 0.7451 0.4804 0.2001 1.5560 2.5596 0.9734 1.4533 1.3283 0.8052 1.5693 0.7833 1.6747 0.9227 1.0948 1.3795 0.9723 1.2724 1.3722 1.2142 1.0113 1.1094 1.3209 1.2065 0.9736 0.7435 1.1043 1.0340 1.0000 1.3031 2.3447 1.0787 1.1659 0.8962 1.4335 0.9238 2.5392 1.8926 1.7443 0.6668 N,N,N-trimethyl-5-aminovalerate 0.8496 0.6107 1.8470 0.9903 1.4020 1.8359 0.7455 1.0938 1.2597 1.1707 0.8286 0.9873 0.6881 0.5638 1.2997 1.1473 1.0000 0.7328 1.4737 0.7471 1.3495 0.4029 0.8546 2.8567 0.5311 1.1537 1.1667 0.6273 1.9149 0.7904 2.4654 1.4160 3.5811 1.4805 2.1622 1.0633 1.3223 0.7303 1.2168 0.9401 0.8264 0.6677 0.8308 0.9195 3.5747 1.3299 1.3789 2.7501 2.2201 1.6627 1.9065 1.0456 0.8094 0.7749 0.5867 0.6039 1.0013 1.3464 1.0948 0.2322 0.8028 0.7280 1.0945 0.6742 0.7482 1.4311 0.6827 0.5941 0.9960 0.7485 1.6189 2.5631 1.0035 1.2381 0.8622 0.9590 0.2878 0.8332 0.6192 0.7767 0.5899 0.8520 1.2424 0.7738 0.8440 1.0741 0.9996 0.9805 0.7405 0.5984 1.2174 0.5896 0.7167 0.9597 1.7762 1.3912 0.4896 1.4165 1.4108 1.6913 1.7714 5.0217 1.6276 1.3327 0.8170 1.2906 0.7278 0.9361 1.2683 1.4821 1.3639 0.8860 0.5889 0.7860 0.7855 1.1561 3.2402 0.7638 1.1748 0.8054 0.7665 2.9139 1.0901 0.9254 1.0899 0.4085 1.2149 1.7529 1.6846 1.7432 0.5325 N,N,N-trimethyl-alanylproline betaine (TMAP) 0.7048 1.3122 1.3479 1.3576 0.8832 1.2754 1.0165 1.1771 0.7286 1.1118 0.9125 1.1576 1.3085 1.0528 1.0463 1.7481 1.8250 0.9352 2.1130 0.7912 0.9690 1.2227 0.7259 1.2287 1.0000 1.0731 2.0572 0.7760 0.9848 1.1183 0.8810 0.9540 0.6611 0.9281 1.1491 1.0037 1.0001 1.2205 1.0940 1.0558 0.9740 1.0558 1.1070 1.5068 0.8860 0.6537 1.1466 0.7375 2.2938 1.0683 0.8188 0.7549 0.5262 0.7801 0.8829 0.8788 0.9128 0.7599 0.8632 0.5102 0.9233 0.9335 0.7696 1.5113 0.6440 0.6398 1.0511 0.8995 0.7804 0.5881 0.8462 0.8168 0.7921 0.7113 0.8875 1.1095 0.9748 0.8644 0.8705 0.8120 0.8363 0.9289 2.5801 0.9055 0.9784 0.9073 0.9582 1.0829 0.9157 0.9890 0.9562 0.9699 1.1353 0.6367 0.9905 1.3400 1.0819 0.7907 1.6087 1.2728 1.2285 1.1072 0.9022 1.1286 1.2545 1.1209 1.5005 0.9656 1.2473 1.5931 1.1558 1.1244 1.1861 1.1473 1.2826 1.3810 1.5837 1.5324 1.1414 0.6001 0.8857 0.7604 1.1931 1.4170 0.7185 1.3386 0.7180 1.3512 1.3555 1.1477 1.0571 N,N-dimethylalanine 0.2726 1.8121 0.0676 0.6947 1.5100 1.9375 0.6890 0.3173 0.6994 0.5422 0.2127 0.9037 0.1999 0.1702 1.7703 1.0331 0.5839 2.2974 0.9884 0.6035 1.9742 0.7503 0.4811 0.0676 0.0676 3.0283 0.6898 1.1960 0.2348 0.0676 0.1931 0.0676 0.0676 0.2934 1.9183 1.1622 2.1485 2.3737 1.0767 1.4173 0.0676 0.4726 0.7830 0.8631 0.0676 0.3355 0.0676 0.0676 3.3729 0.8031 1.3030 0.0676 1.2011 0.7309 0.5371 2.0663 1.7903 0.1374 0.3579 0.0676 3.0825 1.3134 0.0676 0.9301 4.3723 1.9177 0.0676 0.0676 0.0676 4.6092 1.4104 1.7934 1.4732 1.3325 0.0676 0.0676 0.4644 2.2372 0.8395 0.7067 0.7598 1.3741 1.2585 1.5857 2.1843 1.8048 0.8521 1.6786 0.4394 0.0676 1.3208 0.9797 3.2962 0.6983 3.2531 1.1402 0.0676 0.0676 0.7161 0.3212 0.5855 0.8309 0.9150 0.6725 1.6590 2.1407 2.4156 1.4601 0.7349 1.4312 1.2272 0.0676 1.5057 0.6986 0.8729 0.0676 0.2227 0.7205 1.1689 0.6315 1.8531 0.0676 0.9205 0.7025 1.2395 2.1685 1.0116 1.8205 1.1092 0.3381 0.2640 N-(2-furoyl)glycine 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 1.0000 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 2.5329 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.4662 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 22.6903 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 0.2156 N-acetyl-1-methylhistidine* 0.1876 0.1876 0.1876 0.1876 0.1876 1.1607 1.6806 1.2304 0.5132 1.1342 0.1876 0.1876 0.6089 0.1876 0.8990 0.1876 4.9084 0.5212 2.9552 0.1876 0.4804 0.1876 0.1876 0.3352 0.1876 0.9590 3.3814 0.1876 0.1876 0.1876 3.4252 0.6880 0.1876 0.1876 0.1876 2.5474 0.1876 0.1876 1.7631 0.1876 0.8321 0.1876 0.1876 0.1876 4.6644 0.1876 0.1876 0.1876 6.3447 0.6811 0.8601 0.1876 0.1876 0.1876 0.1876 0.9077 0.3228 0.7258 1.7549 0.1876 0.7526 2.0457 0.6104 0.3185 0.1876 0.1876 0.1876 0.4787 0.6395 0.1876 1.1899 0.8587 0.9063 0.1876 0.1876 1.0342 0.1876 0.1876 0.5524 0.9265 2.2174 2.7603 1.8967 0.4405 0.1876 0.1876 1.5127 0.3590 0.7402 0.5689 0.1876 0.1876 0.1876 0.1876 0.5112 1.3410 1.0136 0.3547 2.1440 0.5032 0.1876 3.7606 0.1876 0.3416 2.4150 0.1876 0.1876 1.0836 1.6327 7.0590 0.9864 1.5574 1.3849 0.5123 1.2769 0.1876 8.6529 3.3084 2.0200 0.1876 0.5872 0.1876 0.5893 3.6635 1.3175 0.1876 0.5560 5.4445 2.5265 0.1876 0.4589 N-acetyl-2-aminooctanoate* 0.5524 0.6329 0.3721 1.2730 1.7959 1.5124 0.5493 2.8166 0.8197 2.6931 0.3619 1.1072 0.3479 0.6458 0.7081 0.2887 5.7572 0.2492 0.9743 0.5760 1.6422 0.1888 0.6264 0.6090 0.1305 1.0541 2.3685 0.1867 0.5209 0.2446 1.8193 2.4974 1.0326 0.2047 0.5085 0.4653 0.8208 0.9982 0.9382 0.8929 0.8321 0.6949 0.5741 0.8242 2.4463 0.1305 1.0093 1.6492 2.5824 0.7177 2.0574 1.3100 0.3038 1.6356 1.1838 1.8954 0.7288 1.8795 1.3116 0.8886 1.3510 1.4957 2.2258 0.8655 0.8099 0.7849 1.1939 1.2785 3.4469 0.6631 0.9641 1.2121 1.0201 0.9432 0.6172 1.7737 0.7165 0.9635 0.5182 1.0018 0.6146 1.4539 3.1882 1.2361 0.5790 3.2936 2.0495 1.3021 0.6630 0.8844 1.2273 0.9420 1.1118 1.8605 2.4247 1.6469 0.4031 0.2989 1.3764 2.0919 3.0157 1.7300 0.7998 0.6614 1.2063 1.7117 0.8714 1.4284 1.4799 2.1528 1.0886 0.6721 1.1636 0.9264 0.6385 2.3253 1.5833 1.1625 1.0655 0.2613 1.0279 0.6092 1.3186 1.9195 0.4150 0.7976 0.4072 1.7085 1.2766 0.7903 0.9202 N-acetyl-beta-alanine 1.1090 0.7735 0.9549 1.2053 1.1325 0.9265 1.3123 0.9090 1.1113 1.3402 1.1749 1.0975 0.3298 0.8506 1.2170 1.3470 1.2504 0.6717 1.5827 1.2240 0.7331 0.9551 1.0824 0.5765 0.4516 0.7210 1.4715 0.5976 0.8634 0.7655 0.9171 0.9350 1.0785 1.1280 1.4112 1.0931 0.9831 0.8781 1.2586 0.8123 0.9651 1.0820 1.0704 1.2680 0.9215 0.6843 0.6853 1.0093 0.9083 0.9922 0.7062 1.0584 0.7927 0.8189 0.9270 1.4058 0.4737 0.6611 0.9083 0.5946 1.1075 0.7249 0.9865 1.2897 0.5916 1.1322 1.1711 0.4307 0.5931 1.1960 0.9043 0.6329 1.0000 0.7053 1.0956 1.0944 0.6338 0.8404 0.9835 0.9030 0.7554 1.1011 0.8357 0.8996 1.1151 1.1601 1.0888 1.3717 1.1291 0.8875 1.0334 1.0642 0.7431 0.7778 0.9860 0.8701 0.4701 1.4871 0.9185 0.8380 0.9820 1.1411 1.1788 1.3369 1.8073 1.2577 1.1577 1.3994 1.1583 0.9319 1.0797 1.0623 0.8604 1.2711 1.2392 0.9362 1.2362 0.8181 1.2366 1.1509 0.6088 1.1401 1.2249 1.3601 1.2322 0.8985 1.1324 1.2815 1.1961 0.8443 1.0720 N-acetyl-isoputreanine 0.6469 1.3559 0.7500 0.4007 0.9442 1.0001 0.1846 1.0627 0.6390 0.9959 0.6293 1.0283 1.4308 0.7147 0.3960 1.3544 0.9330 1.2163 1.3426 1.2776 0.4706 1.2164 0.7688 0.3460 0.4866 1.1134 1.0981 0.7073 1.0192 0.7626 0.4889 1.2520 0.5491 0.9306 1.5069 0.9907 0.4721 1.3044 0.8433 1.1716 0.7737 0.9340 0.6864 1.3404 1.1705 0.6386 0.7845 0.7105 2.1090 0.9689 1.3591 0.7137 0.5321 1.4423 0.6509 1.1730 0.6936 1.2060 1.3688 2.8082 1.0732 1.8752 1.2866 0.6018 1.6979 0.9182 1.3198 1.0274 0.4897 0.9918 1.0000 1.2798 0.6694 0.9692 0.8431 0.9453 1.1779 1.4798 0.8864 0.8148 1.0245 1.1732 1.6098 0.9043 1.1618 1.5183 1.0536 0.8439 2.2105 0.8390 1.5454 1.9189 0.9501 0.5514 0.4979 0.7326 0.5867 0.9350 1.2179 1.1528 1.2827 1.4475 0.8905 0.9101 1.3885 1.3077 1.0774 1.4785 1.0600 1.0588 0.7763 1.2120 1.4334 0.7946 0.9872 1.9664 1.6548 1.7594 0.8028 0.7953 1.3734 0.5788 0.8192 1.6498 0.8498 1.5168 1.5480 1.2802 1.0233 0.9009 0.8938 N-acetylalanine 0.9972 1.1158 1.1324 1.1828 1.1659 1.2891 0.9108 1.0359 0.9337 0.9864 1.1740 1.1769 0.9670 1.2507 0.9571 1.2946 1.3668 0.9224 1.3797 0.9496 1.0848 0.9603 0.9778 0.9476 1.0609 0.9611 1.4410 0.9465 0.9516 1.0505 0.9425 1.1396 0.9763 1.1024 1.4730 1.1242 0.9430 1.1221 1.1531 0.9154 1.0847 1.3429 0.9323 0.9254 1.3241 0.9423 1.0172 0.8325 1.6884 1.0000 1.1634 0.8355 0.7317 0.8248 0.7766 0.9180 0.8928 0.7985 0.8851 0.7742 0.7893 0.9421 1.5109 0.8292 0.8452 0.7995 1.0650 0.8515 0.6629 0.7836 0.8830 0.8254 0.8016 0.8510 0.6976 0.9568 0.8488 0.9050 1.0077 0.8687 0.7888 0.9670 1.0425 1.1330 0.8650 0.8730 1.3170 0.9268 0.9507 0.9737 0.9110 0.9313 0.9676 0.8036 0.9836 1.1250 0.8631 1.0108 1.0957 1.2152 1.0296 1.0561 0.8774 0.9973 1.0209 1.0708 1.0065 1.2205 1.1115 1.3325 1.0035 1.0379 1.1792 0.9775 1.0439 1.1672 1.4905 1.1468 1.0083 1.0797 1.0145 1.0913 1.2105 1.2208 0.8758 1.2403 1.0654 1.0463 1.2641 1.0179 1.1388 N-acetylalliin 0.1051 0.1051 0.1051 0.7248 0.4688 0.1051 1.9645 0.4411 0.7146 0.4575 0.1051 0.5251 0.1051 0.2971 0.1051 0.1051 4.4839 0.1051 0.1051 0.1051 3.8363 0.1051 0.1051 0.2337 0.1051 0.1051 1.4027 0.1051 0.2990 1.0371 0.1051 0.1051 0.1051 0.1051 0.4184 0.4434 0.1051 2.4584 0.7416 1.0864 0.9629 0.1051 0.1051 0.1051 2.0369 0.1051 0.1051 0.1051 5.1475 0.2796 0.3675 1.0829 1.2416 0.1051 0.8549 0.1051 0.1051 0.1051 0.1051 0.1051 0.5311 1.5372 2.9690 0.7084 0.1923 0.1051 0.1051 0.1051 0.6246 0.1611 0.8286 0.1051 1.0869 0.1051 0.1051 3.3162 0.1051 0.7339 0.5473 3.3461 1.2732 0.1237 1.9490 0.1051 0.4652 0.1051 3.0598 2.7910 3.1129 0.1051 1.9926 0.1051 0.1051 2.0487 1.2871 3.7660 4.6635 0.1051 0.1051 1.5913 0.1051 0.1051 0.4691 0.1051 0.1051 1.3400 0.1427 0.4280 0.1051 1.6637 0.1051 0.1051 1.1602 0.1051 0.1051 0.1051 1.4166 5.0078 0.1209 0.1051 0.2752 0.1051 0.1051 5.6266 0.1051 0.5195 0.1051 5.3905 0.1051 0.1051 0.1343 N-acetylarginine 0.4052 0.9200 0.5424 0.9279 0.8042 0.5516 1.0944 1.0957 1.4523 2.2547 0.9814 0.4792 1.0276 0.4434 0.9838 0.7392 2.3773 1.3953 1.4027 0.6191 0.9400 0.6517 0.4681 0.7332 0.3731 1.3577 1.6840 0.3793 0.5575 0.6112 1.7904 0.9929 1.5696 0.8161 0.5250 1.8494 0.8752 0.9129 1.0304 1.6810 2.3957 1.1751 0.5495 0.7849 1.4786 0.5564 0.6761 0.3058 1.9144 0.4152 1.0434 1.9098 0.3804 0.6943 0.9109 1.5139 1.2655 0.9257 1.4413 1.8793 1.1953 1.9029 1.0340 0.7364 0.7873 1.0352 0.7596 1.0000 1.2234 0.8586 1.6597 1.1383 0.6645 0.6606 0.7564 1.7290 0.3898 0.5896 0.9558 2.0962 2.2594 1.4467 1.2080 1.1880 0.7283 0.7728 2.3025 0.7384 0.9636 1.1689 0.9808 0.6397 0.9553 0.7544 1.4109 1.6394 0.9317 1.0307 1.3729 0.6741 2.4726 2.8721 1.0083 0.7591 2.2821 0.6155 1.2363 1.2529 1.6562 3.2785 1.1377 1.0738 1.0910 0.6980 1.7934 1.1341 2.9093 1.4947 2.9318 0.7006 0.6419 0.7819 1.2644 0.9710 1.8141 0.7249 0.6833 1.8801 1.5897 0.5418 1.0047 N-acetylasparagine 0.7798 0.2934 0.9376 0.7806 0.8129 1.3959 1.0672 1.5500 0.8276 1.7080 0.7113 0.5755 1.6836 0.3330 0.8079 0.8796 3.5108 1.6904 1.1310 0.4587 0.7247 0.2934 0.2934 1.1476 0.3395 1.2806 2.0954 0.4322 0.7631 0.5305 1.6290 0.7423 1.2253 0.4171 0.3987 1.9803 0.8296 0.8612 1.6222 1.1054 1.3282 1.4613 0.6370 0.4017 2.6459 0.2934 0.6784 0.2934 3.5454 0.5168 1.2957 1.8923 0.2934 0.7691 0.9015 1.4110 1.5149 1.0757 1.3511 2.5511 1.5059 1.6523 1.8421 0.6080 1.0154 0.5030 0.8225 0.9342 1.2738 0.6951 1.9965 0.8023 0.5338 0.7438 0.5053 1.7837 0.3451 0.5784 0.7927 1.3937 1.9019 1.4385 1.6382 0.7305 0.7442 1.3628 2.4844 0.6833 0.8225 0.6107 1.3269 0.6826 0.6096 1.2753 1.4146 1.9963 1.2942 0.7182 1.4734 0.8108 2.5277 5.7578 0.6599 0.6661 2.4184 0.6860 1.1691 0.4991 2.2779 2.6731 1.4491 1.6222 0.9846 0.9140 2.0308 0.8020 3.1120 2.2483 2.6738 0.3040 0.5680 1.9327 0.7756 1.9532 1.0867 0.5124 0.6219 3.4620 1.4660 0.5501 0.5963 N-acetylaspartate (NAA) 1.0147 0.6656 0.8499 1.4332 0.3786 2.1179 1.1051 0.8374 1.0377 0.8641 1.1330 0.9142 0.9009 0.8618 0.8427 0.9653 1.6146 1.2088 1.2207 1.1348 1.0324 0.5645 0.6660 1.1449 0.9254 0.6407 1.2056 0.6004 0.6947 0.7000 0.8094 0.8169 1.0564 0.7034 1.3033 1.2343 0.9710 1.1807 1.0250 2.3638 1.5839 1.5863 0.8588 0.3466 1.2980 0.9155 1.7323 0.4087 1.2891 0.9978 1.0159 1.0078 0.6422 0.6785 0.8287 1.2523 1.5121 1.5286 1.0973 1.7853 1.3875 1.2373 0.7405 1.0097 1.2397 1.3109 1.5270 0.6717 0.6921 0.9172 1.3140 0.9647 0.7292 0.9176 0.5860 1.0045 0.5154 0.8279 0.9851 0.6230 0.6671 0.9124 0.9566 1.3824 0.9934 1.0176 0.8616 1.2966 0.9399 0.8650 3.1278 1.3438 1.3461 3.4258 1.3413 0.7935 0.8913 0.6662 1.5328 1.9447 1.0858 0.7262 1.3682 1.3751 1.2042 0.8016 0.7941 0.6966 0.7254 1.0881 0.9482 0.8613 0.9759 0.9104 0.9191 1.5310 2.2443 0.7840 1.1676 1.0000 1.2300 1.2037 1.1608 0.8650 0.8399 1.6705 1.2099 1.4018 1.6768 1.2964 0.8209 N-acetylcarnosine 0.4839 0.7702 0.8276 1.7319 1.2001 0.9148 1.3168 2.4763 1.1840 1.3347 0.9122 1.2723 0.7508 1.2880 1.3287 1.2629 2.6299 0.9891 2.0007 1.0109 0.7093 1.8795 0.7833 1.3242 0.8615 1.3157 2.0003 0.8235 0.9300 1.1792 0.7552 0.7385 0.6634 1.1281 0.7348 0.9830 0.4568 2.0490 1.0415 0.7720 1.5820 0.8175 0.7159 1.1555 0.6063 1.0771 0.8097 0.8035 2.4362 0.3774 0.5910 1.2839 0.5717 0.7726 1.5969 0.4201 1.3806 0.8692 0.6483 0.4430 0.9161 0.3774 0.6419 1.6939 0.5805 0.4925 2.1763 0.7382 1.1729 0.6795 1.0141 0.4551 0.8726 0.8187 0.8404 1.9860 0.5032 1.1214 0.7347 0.4435 0.5228 0.9384 1.7271 0.6496 0.7655 0.7993 0.5200 0.7893 1.0398 0.5768 0.7387 0.8937 1.6972 0.8508 0.6044 0.7969 1.3059 1.1382 1.5405 1.0839 1.2890 0.9347 1.1344 1.0863 1.3539 1.4145 1.1999 1.1721 1.4626 1.4193 1.1122 1.2197 1.1296 1.2106 1.5213 1.2299 1.4967 2.9324 1.0272 0.9304 1.1536 0.6103 1.3946 1.7034 0.8724 2.1309 1.1947 1.1276 0.7429 0.7654 0.7110 N-acetylcitrulline 0.3071 0.5329 0.3071 0.6829 0.6572 0.9249 1.1648 0.9446 0.7466 3.2429 0.6981 0.5373 0.6059 0.3167 0.9004 0.3071 4.7621 2.3264 0.8764 0.3071 0.3071 0.3071 0.3071 0.3071 0.3071 1.0434 1.6073 0.3071 0.6141 0.3071 1.1312 0.4837 0.4919 0.6880 0.3071 2.2246 0.3071 0.5567 2.4624 1.5355 2.4266 0.6573 0.3071 0.3071 1.9814 0.3071 0.3071 0.3071 2.3391 0.3071 0.9921 2.6223 0.3071 0.3071 0.3071 0.6201 0.5478 0.4525 0.9831 0.6364 0.7912 2.2555 1.3110 0.3071 0.3071 0.3071 0.3071 0.3071 0.3071 0.3071 1.3370 0.3071 0.3071 0.3071 0.3071 1.3656 0.3071 0.3071 0.3071 1.6116 1.1996 1.5717 1.0079 0.3071 0.3071 0.3666 1.8917 0.3071 0.3817 0.5227 0.3071 0.3071 0.3071 0.3071 1.0998 1.4626 0.3846 0.7481 0.6187 0.4686 1.5910 3.6651 0.4494 0.3071 2.6381 0.3071 1.2826 0.8467 1.6236 3.2210 1.2615 1.3262 0.4590 0.3071 3.0688 1.0982 3.9016 2.4463 2.4866 0.4886 0.3847 1.1242 0.9681 1.1743 2.6846 0.4496 0.5109 3.5164 1.6171 0.4715 0.9429 N-acetylglucosamine/N-acetylgalactosamine 1.2008 1.0264 1.1503 0.9146 0.3245 1.0969 0.8948 1.3792 1.5529 1.1752 1.0747 1.6735 0.7412 1.2610 1.3858 1.4152 1.3623 0.9024 0.5614 1.1916 1.0829 1.1242 2.0779 1.0476 0.9713 0.7052 1.1316 1.2089 0.8303 0.8476 0.7890 0.5918 0.8006 1.6561 1.3233 0.9627 1.0000 0.7193 1.1815 0.8330 0.8304 1.9916 1.1207 1.4575 1.2900 1.0376 1.0809 1.2666 2.4854 1.2257 1.2022 1.0104 0.6149 0.7960 0.3265 0.8610 0.5547 0.7900 0.5731 0.3245 0.9590 1.1396 1.3161 0.7411 0.9180 0.5124 0.6991 0.8245 0.4185 1.2031 0.7224 1.1065 0.6101 0.6101 0.6930 1.1243 0.8413 0.8195 0.9291 0.9587 0.7568 0.5897 0.7817 0.9724 0.5753 0.9213 1.2708 0.9856 1.0748 0.9270 0.5510 0.4102 0.8268 0.3245 0.5538 1.1571 1.1033 1.3269 1.4525 1.0833 1.1639 2.0678 0.9189 1.1683 0.8634 0.7647 1.0040 1.4720 1.0569 1.3781 0.8973 0.8459 0.9035 1.4587 0.5509 0.9592 1.1395 1.1727 0.8736 1.0368 0.7526 0.7967 1.1390 1.3612 1.2273 0.8166 0.7916 1.5031 1.7873 1.0311 1.3118 N-acetylglucosaminylasparagine 1.3244 1.1451 0.6552 0.2851 0.2851 1.2014 0.7499 1.3009 0.2851 0.8749 0.8124 1.2465 0.7269 0.2851 0.6812 1.6700 0.9422 1.0482 0.5244 1.0641 0.5372 1.0301 1.4163 0.9976 1.5855 1.2171 1.0711 1.7197 0.7100 1.2108 0.7612 0.4730 0.2851 1.4487 0.9093 0.2851 0.7587 1.6298 1.0506 0.5364 0.3102 1.0024 0.8450 0.7866 1.3877 0.4151 0.8774 0.8383 1.6182 1.4753 1.4881 1.3949 0.4421 0.5546 0.2851 0.7195 0.2851 0.7448 0.7888 0.2851 0.8303 0.9728 1.0500 0.9352 0.8105 1.0792 0.7908 0.9279 0.2851 0.2851 0.2851 0.6208 0.2851 0.2851 0.7837 0.2851 0.3406 0.2851 0.5637 0.3752 0.7422 0.4309 0.7415 1.1189 0.2851 0.9729 0.8330 1.3876 0.6298 0.2851 0.2851 0.2851 0.6539 0.2851 1.1908 1.1977 0.2851 1.2788 1.4542 1.9385 0.7831 0.4698 0.2851 1.0053 1.1032 0.2851 0.3091 1.9423 1.4615 1.4217 1.5091 0.7231 1.6498 1.5308 0.9630 1.1686 1.8767 1.3396 1.2791 1.3529 1.0901 0.2851 1.5538 1.0138 0.9284 1.4732 0.2851 0.6204 1.0955 1.0385 1.9923 N-acetylglutamate 1.8235 1.0681 1.1519 1.5341 1.4368 1.8366 1.0933 1.3493 1.0714 1.6070 1.2728 1.2358 1.0023 0.9092 0.8104 1.4076 1.9441 1.1541 1.0259 0.8540 1.1584 1.0011 0.8754 0.9750 0.8143 0.8695 1.3805 0.6874 1.0781 1.0757 1.2633 1.1200 1.6957 1.1013 1.4834 1.2848 0.7785 0.9681 1.1517 1.4180 1.3797 1.5851 0.8203 0.9356 2.5578 1.2049 1.9886 0.9509 2.4768 0.8596 1.8957 0.9540 0.6287 0.8131 0.7294 0.8460 0.8778 0.9360 0.9490 1.1502 0.7405 1.1524 1.6060 0.6772 0.6643 0.8483 0.9358 0.6297 0.5864 0.7404 1.0449 0.6689 0.8580 0.7612 0.6749 0.8736 0.9419 0.7952 0.7105 1.0959 0.8494 1.2640 1.1406 1.2066 0.6279 0.9317 1.4658 0.7449 0.5963 0.7553 0.8640 0.8500 0.7344 0.7372 1.4164 1.1646 0.8023 0.6995 1.0552 0.9914 1.2073 2.1079 1.0818 0.9237 0.7360 1.0943 0.9489 1.4828 1.1813 1.5992 1.3058 1.0058 1.1127 0.9448 0.8351 1.5812 2.2717 0.8867 0.9356 0.9056 0.8143 1.2225 1.4288 1.0000 0.6296 1.1938 0.8195 0.9698 1.4671 0.9073 0.9307 N-acetylglutamine 0.8871 1.2159 0.3948 0.7446 1.2273 1.4532 1.1507 1.2888 1.1126 1.6791 0.7263 0.6255 1.3605 0.6993 0.3541 1.3477 2.2592 1.6321 1.2714 0.8722 0.4628 0.4534 0.7049 1.5134 0.5092 1.4925 1.2637 0.6337 0.5926 0.4676 1.8859 1.2117 0.8001 0.7495 0.8959 1.7308 0.7921 1.1891 1.8154 1.2381 1.2006 0.8808 0.9571 0.6839 1.6072 0.5452 0.5990 0.4472 1.7498 0.8406 1.4391 1.3904 0.4810 0.8910 0.9741 1.6637 0.8700 0.8966 1.0777 1.6680 2.0286 2.0705 1.9820 0.7050 0.9911 0.5713 0.6655 1.2204 1.0171 0.6423 1.0151 0.9993 0.5218 0.7621 0.6229 1.3939 0.3872 0.7138 0.8072 1.8722 1.9023 1.5123 1.1925 0.8243 0.8740 1.3845 2.5709 0.6333 0.9248 0.8101 0.7517 0.5130 0.9954 0.5151 0.6613 1.3462 0.4820 1.0084 1.4232 1.1894 3.1444 2.2437 0.6008 0.6569 2.2113 0.5715 1.2906 0.9592 1.3869 3.0574 1.4383 1.6369 1.2929 1.0000 1.1087 1.0893 4.5145 2.0232 1.5376 0.5240 0.5513 1.8456 0.9338 1.5691 1.6040 0.6522 0.6643 3.0908 1.5240 0.9645 0.7821 N-acetylglycine 0.6785 2.6659 0.9258 0.4578 1.4673 1.2363 0.8714 0.5367 0.4288 0.4904 2.4882 0.4717 2.8263 1.0372 0.5180 5.5457 0.5886 1.5695 1.4458 0.8453 0.4837 2.0531 0.7939 0.7309 1.0694 0.6162 2.6958 1.0198 0.9089 1.4299 0.8216 0.8363 0.5216 2.1366 0.9717 1.3969 0.7149 0.6599 0.6200 1.4324 0.7864 0.8872 2.3055 1.2284 0.7542 1.4824 2.7348 0.3127 0.5993 1.6457 0.6075 0.4745 0.9786 1.0636 1.7347 6.1449 2.2432 4.4347 8.7887 1.1984 0.9621 1.4568 3.3471 1.2715 1.1807 1.0068 0.8867 1.1141 0.8887 0.7132 1.4696 1.3600 3.3840 1.2499 1.0000 0.7402 1.3137 4.8689 6.5878 1.2693 1.7216 5.6223 4.0725 2.4947 1.0519 0.8267 2.6261 2.2357 0.8609 1.3046 1.8478 0.2853 1.3969 1.2864 0.7376 1.7445 0.5585 0.8317 1.2752 1.4765 0.5440 0.8812 0.5330 0.9784 0.6072 0.5650 2.0089 0.4537 0.9909 0.9612 0.7048 0.6628 0.8980 0.8256 4.1822 0.5289 0.7486 0.7527 0.9960 0.4728 1.7774 0.8208 2.5134 1.0382 0.4627 1.4022 0.9231 0.7884 1.0363 2.0428 0.4601 N-acetylhistidine 0.6535 0.5671 0.5452 0.6537 0.9113 1.0556 1.1464 0.8208 0.5290 1.1425 0.7208 0.7486 1.0763 0.8161 0.6883 0.4416 1.5929 1.0167 0.9519 0.7297 0.4416 0.6280 0.5830 0.4416 0.4416 0.8680 0.9184 0.5598 0.8401 0.5009 0.8310 0.8691 0.8550 0.4416 0.6091 1.0190 0.9024 0.9081 1.0023 1.0464 0.9098 1.0777 0.5724 0.4416 0.8359 0.4416 0.7808 0.4652 2.1435 0.6573 1.0642 1.0000 0.8658 0.7387 0.9427 2.0601 1.2477 0.9700 1.1978 2.6977 1.3514 1.9742 1.5535 0.9760 0.9181 1.0435 0.9923 0.8946 0.8666 1.3071 1.5058 2.0437 0.7308 1.2532 1.3308 0.8569 0.4416 0.9322 1.6985 0.9203 1.4612 1.6717 1.2955 1.8199 1.2961 0.8728 1.8434 0.9233 1.4208 1.3672 1.5333 1.0314 1.1341 1.1279 1.2351 1.5204 0.6654 0.7437 1.3707 1.1076 1.8170 1.1546 0.7015 1.0728 0.9870 0.7975 1.0964 0.9538 1.0412 2.1836 1.0424 1.1439 2.9625 0.4416 1.0146 1.6301 1.7687 1.1021 1.1243 0.8054 0.4915 1.1736 1.2510 0.9217 1.1205 0.7526 0.8940 1.6023 1.2516 0.7084 0.8289 N-acetylleucine 0.7109 1.4230 0.6772 0.9971 1.7115 0.7943 1.0898 1.2551 0.8667 1.4900 0.7769 0.8618 1.0896 0.7020 0.9926 1.1628 2.3138 1.2949 1.1400 0.8393 1.1369 0.6693 1.0476 0.9257 0.7219 1.2243 1.2205 0.5294 1.3005 1.3591 1.7594 0.7729 1.1129 1.3018 0.9172 1.5909 0.8828 1.0303 1.4650 1.4157 1.7244 0.8709 0.8516 0.9198 1.7809 1.0000 0.6336 1.1546 1.9554 0.6542 0.9252 0.8687 0.5294 0.6027 0.7672 1.0030 1.0925 0.5294 0.8079 0.8999 0.9362 1.0395 1.2504 0.5294 0.5294 0.5294 1.0781 0.7545 0.6246 0.6822 0.9307 0.6307 0.6254 0.8975 0.5294 1.1681 0.6978 0.5294 0.5294 0.8409 0.8423 1.2308 1.2718 0.5294 0.7371 0.6659 1.6909 0.8002 0.9897 0.8160 0.9345 0.7628 0.5634 1.1448 1.1853 1.1770 1.4653 0.6947 1.1761 0.9920 2.2282 2.7336 0.6504 0.6900 1.5322 0.5294 1.2829 0.8781 1.6946 1.5721 1.0143 1.1640 1.0900 0.7015 1.2899 0.7886 5.2051 1.5220 1.0662 0.8851 1.2436 0.7629 1.0262 1.4167 1.3995 0.8531 0.5676 2.5107 0.7890 0.6795 1.1996 N-acetylmethionine 1.0057 1.0562 0.9824 1.3396 1.1239 1.5696 0.7432 1.0311 0.9345 1.2200 0.9728 1.3461 0.9610 1.1170 0.7439 1.1318 1.2361 0.9860 1.4924 0.9733 1.2000 0.7793 1.5533 0.8306 1.3802 1.0920 1.4487 0.8504 0.6155 0.8642 0.8506 1.2207 1.0140 0.9135 1.2913 1.1712 1.0336 1.2531 1.1815 0.8923 1.0031 1.5466 0.8181 0.8115 1.0453 0.8369 1.0338 0.9073 2.0023 0.9604 1.2600 0.8886 0.7896 0.8462 0.7161 1.0278 0.7028 0.7867 0.7616 0.8307 0.7803 1.0858 2.0520 0.7974 0.9008 0.8703 1.2110 0.9259 0.6764 0.7558 0.9448 1.0974 1.0000 0.9719 0.7513 0.9880 0.8092 1.1123 1.0820 0.8367 0.8115 0.9562 1.1282 1.3765 0.8115 0.9125 1.3945 1.1598 1.0052 0.7123 0.6502 0.8981 0.8632 0.6298 1.4670 1.1432 0.7449 0.8733 1.2138 1.6088 1.0404 1.0358 0.8313 0.9119 0.8037 1.0435 1.1879 1.5959 1.1668 1.1568 0.9074 1.2104 1.2529 1.0602 0.9133 0.9929 1.8294 0.8950 0.8953 1.5148 1.2502 0.9553 1.3986 1.1110 0.5773 1.5665 0.7953 1.0517 1.4627 0.9992 1.6047 N-acetylneuraminate 1.3121 1.5051 1.1100 0.6424 0.8134 1.0441 0.6871 0.9147 1.3554 0.8101 1.3330 1.1483 0.7459 1.1015 1.1914 1.0535 0.8780 0.9722 1.3386 0.8701 1.2684 1.0818 2.4432 0.8836 1.2909 0.4297 1.1110 1.1513 0.8286 1.2040 1.1413 1.0135 1.1296 1.4805 1.2700 1.2570 1.0125 1.6700 1.3713 1.1742 1.1003 1.1455 1.1180 1.3895 1.8297 0.8530 0.8560 1.3014 1.6036 1.5068 0.9813 0.9152 0.6161 0.5734 2.6172 0.8501 0.8972 0.8156 1.0299 0.6169 0.9638 1.0000 1.0107 0.8174 1.0295 0.6616 0.9350 0.9167 0.5760 0.9539 1.1411 0.6790 0.9239 0.9479 0.8029 0.7632 0.8234 0.7299 1.2020 0.9298 0.8520 0.7711 1.2899 1.0769 0.6954 1.3121 1.3175 1.0891 0.9970 1.5086 0.4072 0.6108 0.6907 0.3367 0.7217 1.2054 0.6644 1.1516 1.4655 1.3431 0.8355 0.9653 0.8693 0.8397 0.7701 0.8746 0.6766 1.0088 1.6966 1.0163 2.0363 0.7963 1.2606 0.8983 0.7569 0.8474 1.6527 0.8975 0.7645 1.4122 1.5408 1.2020 1.2752 0.9603 0.7871 1.0965 0.8784 0.8643 1.0846 0.8481 1.2106 N-acetylphenylalanine 0.6455 0.8103 0.7693 1.0323 1.1346 1.1704 2.2904 1.6963 1.0001 1.5029 0.8600 1.1682 0.8573 0.9144 1.1017 1.0000 2.8994 2.5572 1.3249 1.0172 1.0610 0.7224 0.9689 0.8453 0.5777 1.0097 1.2946 0.5835 0.9230 0.4864 1.2548 0.9695 1.1238 0.8950 0.8911 1.7361 0.9808 0.9041 1.5482 0.6481 1.8763 0.8893 0.7825 0.9319 1.3316 0.6166 0.6729 0.6514 2.3554 0.9210 1.1563 1.2912 0.4458 0.8507 0.5960 0.9246 0.8014 0.5192 1.0641 0.6825 0.9478 1.4419 1.1645 0.8651 0.7806 0.7630 0.9939 0.7895 0.7757 0.5191 0.9067 0.8241 0.6185 0.8362 0.6678 1.1702 0.5283 0.9477 0.8050 1.0525 1.1111 1.1513 1.1624 0.9387 0.7945 0.7153 1.0099 0.9496 0.9057 0.6947 0.7089 0.7359 0.6427 0.6470 1.2848 1.4293 1.1873 0.8757 1.0765 1.1465 2.2067 2.3904 0.7819 1.1167 1.7661 0.9113 1.1136 1.2440 1.5950 2.2390 1.0160 2.1106 1.1068 1.0660 1.0418 1.3054 5.6134 2.1922 1.4327 0.7322 0.8661 1.1941 1.1951 1.7148 1.2242 1.0052 1.0701 3.1771 1.2891 0.6431 1.1267 N-acetylputrescine 1.0558 0.9012 1.6118 1.1612 0.6304 1.1545 0.8357 1.2541 1.4956 1.5682 1.1271 1.2469 0.6304 1.1855 0.7303 0.7316 1.1407 0.5682 0.9688 0.9212 1.0363 0.7187 1.5868 1.4446 0.9355 0.8387 0.7867 0.6187 0.7418 0.7459 1.0902 1.6652 1.8504 0.5666 1.8856 1.0771 1.0197 0.7683 1.0000 1.1477 0.8778 1.0191 1.2014 0.5440 1.5039 1.1218 1.4168 0.7462 1.4705 1.0013 1.1847 0.8290 0.6975 0.8875 0.8385 0.9596 1.0539 0.8111 1.3170 0.8439 0.9626 1.0445 0.8557 0.6780 0.7490 0.8002 1.0033 0.5443 0.7764 1.4725 1.0094 0.8251 1.5860 0.7487 0.8876 0.9770 1.4096 0.9403 1.0252 0.6790 1.0267 1.0224 0.9311 0.8055 1.0316 0.8093 0.9309 0.8287 1.6303 1.4766 0.6450 1.0742 0.9749 0.7199 0.9356 1.3261 0.7491 0.8346 0.7081 2.0323 0.9944 1.0234 0.8690 0.9059 1.0193 1.1303 0.9979 0.9131 1.7508 1.0243 1.1815 0.8039 1.2233 0.8751 1.0724 1.1938 1.8977 1.2467 1.1865 1.4218 0.8656 1.3584 0.8963 0.9509 0.8018 1.2685 1.3626 1.5375 1.0198 0.7883 1.1061 N-acetylserine 0.9265 1.2012 0.8816 0.9727 1.0605 1.1607 0.9588 0.9248 0.8763 1.3442 0.9574 1.1139 0.9477 1.0088 0.8056 1.2999 1.4959 1.0694 1.6594 1.0975 1.0377 0.9759 0.9724 1.2187 0.9052 0.9832 1.1444 1.0242 0.8402 0.9273 1.0919 1.2920 0.7652 1.1202 1.3723 1.0908 0.8028 1.3540 1.3558 0.7907 0.8847 1.3719 0.8786 1.0393 1.1571 0.8361 0.9242 1.0681 1.9529 1.0822 1.0778 0.9488 0.7370 0.9538 0.7425 1.1954 0.7229 0.7617 0.7786 1.0960 0.9056 0.9885 1.9175 0.8763 0.9131 0.8006 0.9813 1.0056 0.6429 0.8564 0.6941 0.9138 0.8545 0.9446 0.6870 0.9584 0.7486 0.9372 0.8455 0.8686 0.7608 1.0216 0.9123 1.3417 1.0085 1.1253 1.7656 0.8437 1.1081 0.8659 0.8781 0.7931 0.9827 0.6815 1.0374 1.1286 0.6978 1.0000 1.0563 1.5746 0.8997 1.0182 0.9459 0.9904 1.1711 0.9663 1.3162 1.1386 0.9225 1.2329 1.0285 1.0978 1.3897 1.0764 0.8039 1.2824 1.3893 1.5211 0.9518 0.9493 0.9509 1.1468 1.0917 1.3898 1.0214 1.1610 1.0217 1.3054 1.3962 1.0235 1.1046 N-acetyltaurine 1.7938 1.1114 1.1710 1.1478 1.0000 1.7482 0.8213 0.9318 0.7003 0.6659 0.9386 0.9985 0.9692 0.7591 0.8175 2.1339 1.1519 1.0344 1.3434 1.1058 1.2770 1.1717 1.5375 0.7406 1.0048 1.0598 1.2472 0.8713 0.7410 0.7896 1.1973 1.4151 0.9792 1.4684 1.6195 1.3702 0.8220 1.0789 1.3447 1.1907 1.2417 0.9618 0.8764 1.0286 1.2220 0.4924 0.9598 0.7743 2.4606 0.7107 1.3607 0.7631 0.5641 0.6840 1.0386 1.3119 0.7449 0.8614 0.7728 0.7401 1.0006 1.4854 1.0275 1.3412 0.7396 0.6652 1.2266 0.8194 0.9273 0.8304 0.8950 0.9481 0.8083 0.8881 0.7695 1.3316 0.6914 0.9454 0.6280 1.2814 1.0589 0.9614 1.1689 1.0959 1.1664 0.9761 1.7768 0.8652 1.0646 0.9145 0.9454 0.6894 1.0686 0.4661 1.2170 0.8436 0.3842 0.8217 1.0745 1.1403 1.5372 0.9357 0.8260 0.5499 1.8754 1.0663 0.9878 1.1838 1.2196 1.2850 1.2878 0.9386 1.7130 0.6541 0.8505 1.5570 2.3742 0.6953 0.5924 1.0955 0.7399 0.7334 1.0733 1.3033 0.6103 1.3188 0.6052 0.9370 1.7961 1.0645 1.3216 N-acetyltheanine 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.9499 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 1.2809 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 10.5395 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 1.0000 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 0.7877 N-acetylthreonine 0.9060 0.9259 0.8496 1.3366 1.1155 1.2242 0.7963 0.8835 0.7979 0.9757 0.9871 1.0064 0.8845 0.9629 1.0567 1.3740 1.6365 0.9884 2.0216 0.9178 1.0778 1.3434 0.9653 0.8562 0.8607 1.1228 1.1752 0.8661 0.8903 1.1152 0.7956 0.8691 0.7406 1.0311 1.7809 1.0324 1.0681 1.2573 1.3587 0.8253 1.0762 1.2612 0.8647 0.9727 1.3386 0.7992 0.9834 0.6792 2.4610 0.9713 1.0722 0.8299 0.8376 0.8330 0.9131 1.0710 0.8610 0.7490 0.7768 1.0483 0.8362 0.9858 1.2326 0.9274 1.0042 0.9217 1.1470 0.6959 0.8168 0.8711 0.7726 0.8781 0.7242 0.7856 0.9059 1.0307 0.5986 0.9081 0.8550 0.7579 0.9203 0.8584 1.0482 1.3065 0.9718 1.0580 1.0633 1.2009 1.3468 1.1146 0.9928 1.1143 1.2243 0.6103 1.1727 1.0176 0.7217 0.9084 1.2953 1.5498 0.8795 1.0503 1.1203 0.8490 1.1534 1.2671 1.0858 1.3234 1.2395 1.5385 0.9387 1.0750 1.5095 0.9195 0.9822 1.5549 1.5420 1.0393 1.1972 1.1557 0.8569 1.0416 1.0124 1.3307 0.8504 1.2000 1.0000 1.1469 1.4186 0.9293 1.3332 N-acetyltryptophan 0.5067 0.5067 0.7534 1.1522 1.0812 0.9646 2.8308 1.2806 0.7475 1.1024 0.9340 1.0615 0.6876 1.2048 0.8826 0.7301 3.1198 1.8060 1.2154 0.9924 1.4251 0.9347 1.4795 0.5963 0.7770 0.7379 0.9126 0.5267 1.3319 0.8169 1.2571 1.4919 0.9734 0.9467 0.9367 1.2937 1.0656 1.2276 0.9657 0.5067 1.7386 0.8952 1.0186 1.3768 0.9295 0.5067 0.5790 0.7266 1.3463 1.0707 1.1152 1.2130 0.5974 0.7346 0.7514 0.8835 1.3691 0.7932 0.7911 0.5736 0.9207 1.0363 1.5676 1.4865 0.9396 1.1680 1.0739 1.0143 0.7837 0.7730 0.7326 0.8665 0.9163 1.0934 0.7267 1.1602 0.5067 1.0930 0.8641 0.6530 0.7809 0.7578 0.9993 1.1071 0.7992 0.5644 0.6459 0.9824 1.4789 0.8929 0.8322 0.9369 0.7069 1.1830 1.4542 1.4934 1.2370 0.9894 0.5462 1.1198 1.3180 1.8765 0.9746 1.3782 1.1755 1.0549 1.0682 1.0007 1.5095 1.5456 0.6951 1.7950 1.4848 1.7347 0.9469 1.2603 4.5047 2.0462 0.6974 0.8589 0.7502 1.1723 1.5487 1.6639 1.2271 0.6136 1.5445 0.5067 0.7085 0.8081 1.3570 N-acetyltyrosine 0.6051 0.4447 0.4492 0.7982 1.2747 0.6844 1.3331 1.4573 1.0116 1.4197 0.8317 1.1698 0.8713 0.8222 0.7188 0.4447 2.2260 3.1543 0.9356 1.0231 1.3804 0.4447 0.4447 0.4447 0.4447 0.4447 1.1430 0.4447 0.7207 0.4447 1.0641 1.2470 1.3600 0.4447 0.7487 1.5629 1.0523 0.8451 1.4124 0.5958 1.7604 0.9546 0.8400 0.8914 1.1131 0.4447 0.4447 0.5195 1.8347 0.8906 1.2146 1.1189 0.4447 0.4447 0.4447 0.9717 0.8484 0.4447 0.8980 0.7300 1.3394 1.3428 0.9808 0.6326 0.9753 0.4568 0.7816 0.8857 0.4447 0.4447 1.0196 0.9086 0.4447 0.7341 0.6871 0.9877 0.6493 0.9613 0.4881 1.0405 1.0424 1.0270 0.9884 0.4447 0.6174 0.4447 0.4447 0.5720 0.4447 0.8577 0.6878 0.4447 0.4447 0.5020 1.1529 1.3474 0.9055 0.9224 1.0953 0.8361 2.4284 2.1216 0.6918 0.8911 1.7719 0.4447 0.8943 1.2902 1.3129 2.7372 1.0170 1.9017 1.2219 0.4447 0.8436 1.2839 4.1496 1.4781 1.2035 0.4447 0.6948 1.1323 1.1396 1.2885 1.5711 0.8439 1.0562 2.0412 1.4152 0.5769 1.0833 N-acetylvaline 0.9948 0.8831 1.1796 1.0938 1.3111 1.1736 0.9488 0.8615 0.8077 1.0548 1.2821 1.0040 1.0254 0.9948 0.9522 1.2557 1.1224 1.1445 1.6328 0.8132 0.8094 0.9190 0.9518 0.8503 0.7944 1.0322 1.2114 0.9049 0.9695 0.9855 1.1551 1.0509 1.0266 1.1187 1.3017 1.3278 0.9424 1.1480 1.1354 0.8224 1.0084 1.2014 0.9439 0.8988 1.3250 0.9341 0.9764 1.0267 1.7249 0.9278 0.9314 0.8042 0.7561 0.6615 0.8931 1.0731 1.0084 0.6538 0.9644 0.6647 0.7558 0.8897 1.6725 0.7157 0.7989 0.7439 0.9806 0.6983 0.5065 0.7716 0.7174 0.9178 0.7431 0.9742 0.7864 1.0595 0.6903 0.8917 0.9396 0.6877 0.7376 0.7563 1.1346 0.9581 1.2065 0.8750 1.3512 0.9111 1.0078 0.8139 0.8515 0.9482 1.0000 0.8250 1.1671 1.1785 1.0671 1.0019 1.0083 1.2571 1.1050 1.2038 1.0420 1.0039 1.0207 1.0368 1.0667 1.0849 1.1359 1.1841 0.9500 1.1570 1.0496 1.0039 0.9615 1.0542 2.1148 1.1168 0.8798 1.0817 0.8534 1.0110 1.1766 1.1590 0.9368 1.2929 0.9982 1.2650 1.2385 0.8858 1.0855 N-carbamoylaspartate 1.2587 0.0128 1.4258 3.1318 0.2883 0.7231 0.0205 2.6543 1.5354 0.0127 0.4347 1.7369 0.0210 2.0106 0.8057 0.0502 2.3881 2.8133 0.0127 0.0318 0.8893 1.0747 0.1938 0.0127 1.5118 1.2939 1.9671 1.0005 1.8166 1.5940 1.1021 0.0127 1.1388 0.8149 0.6725 1.5594 1.0437 0.0629 0.0316 0.0957 0.1632 1.0955 0.2171 0.0148 1.3845 1.4683 1.0071 0.1115 2.2383 0.4497 0.2912 0.0127 0.7815 0.0183 1.1840 1.5198 0.9942 1.5315 1.1544 1.4208 0.1406 0.0127 0.0127 0.0564 0.9562 1.5668 1.0275 0.0127 1.2207 0.1822 0.9100 1.4688 1.2092 0.9534 0.7157 1.8467 0.0127 0.8057 1.3501 1.9476 1.0963 1.0117 1.1868 1.0708 0.1093 0.4757 0.0127 1.0383 1.1600 1.6052 0.3542 0.3600 0.8751 0.7297 1.1113 0.7934 0.8414 0.0329 1.5027 1.9866 1.5890 0.6533 0.5053 1.1278 0.8739 0.6387 0.5102 1.4383 0.9995 1.3659 0.0249 3.3710 1.3231 0.0127 0.6706 0.9444 1.6377 0.0127 0.8426 0.9939 0.5566 1.3543 0.5860 1.2635 0.0127 1.0970 0.1010 0.0127 0.9732 0.8991 1.5082 N-delta-acetylornithine 0.4840 0.3450 1.2272 1.4223 0.6919 0.4694 0.7541 1.2468 0.6450 1.4993 1.9265 2.0089 0.4808 1.8454 2.3541 1.2550 2.2689 0.2678 1.8150 0.8509 1.6571 0.3555 0.5786 0.6523 0.3663 0.5478 0.9956 0.9930 1.0248 1.0707 0.3127 1.9394 0.4825 0.8616 1.4195 0.9285 1.4801 1.9523 0.9086 0.6677 1.0723 1.0612 0.9680 0.8890 1.5055 1.0000 2.5705 0.9041 1.8658 1.6785 0.6584 0.9825 0.8927 1.8349 1.4035 1.1460 1.5411 1.5479 0.4123 2.0801 1.2572 0.9002 1.9501 0.4032 1.5549 5.4236 1.5959 0.5868 0.1463 1.2739 0.7005 0.9131 1.2150 0.9136 1.1769 0.7701 1.1051 1.4120 0.8388 0.5692 0.3682 0.6109 0.7175 2.3182 1.8864 1.0645 0.8003 1.9800 6.0506 1.3676 2.0907 1.2158 3.1640 3.8558 2.7546 0.8037 0.4334 2.4277 0.5490 2.0655 0.4394 0.5147 1.0443 0.8352 0.6861 3.8461 0.5180 2.2174 0.8875 0.6265 0.4476 0.5308 2.5312 0.8466 0.4024 3.4511 0.7105 1.1382 0.5092 4.5339 1.5203 0.6683 0.5636 1.0107 0.6953 1.2974 1.3831 0.4048 0.7403 0.8505 2.7668 N-desmethyl tramadol 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 1.1839 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 1.0000 0.1934 0.1934 0.1934 N-formylanthranilic acid 0.5303 0.5303 0.5303 0.5303 1.1028 0.5303 0.9288 1.4617 0.5303 0.7489 0.5532 0.5303 0.5303 0.5303 1.2272 1.4686 1.7324 0.6973 0.5303 0.5303 1.2192 0.5303 0.5303 0.5303 0.9368 0.5303 0.5303 0.6738 0.5303 0.5303 0.5303 0.8868 0.5303 0.6789 1.0313 0.9511 0.9117 1.0487 2.1362 0.6340 1.6506 0.8927 0.5303 0.5303 0.5303 0.5303 1.0898 0.6721 1.1106 0.5303 0.5303 1.3757 0.5303 0.8833 1.2147 0.8123 1.0000 0.5303 1.1589 0.5306 0.6261 0.5303 2.1378 1.1553 1.3462 0.9557 1.5946 0.7246 0.5303 0.5303 0.6739 0.7037 1.3931 1.0516 0.5303 0.5303 0.5303 1.4139 1.0478 0.5303 0.8332 0.5303 0.5303 0.6342 1.2443 0.5303 0.5303 1.1270 0.6709 0.7960 0.7545 0.8759 1.0148 0.6902 1.5348 0.5303 0.5303 3.2463 0.5303 0.9287 1.2467 2.4146 0.5303 0.5934 1.4229 0.5303 0.7237 0.7340 1.0499 0.7338 0.5303 0.5303 0.9711 0.6141 0.5303 0.5303 1.2138 1.3372 0.5303 1.0472 0.5303 1.3169 1.0433 0.5303 0.7353 0.5303 0.5303 0.7988 0.5303 1.3781 0.5303 N-formylmethionine 0.9177 1.1375 1.0564 1.1825 1.0404 1.4542 0.9030 1.0407 0.9983 1.1624 0.7961 1.1934 0.9572 1.0641 0.8216 1.1756 1.1829 0.9260 1.2119 1.0312 1.0056 0.8991 1.1984 0.9784 0.7628 1.0023 1.2502 0.8496 0.7046 0.9453 1.0741 1.0496 0.9148 0.9942 1.5275 1.0205 0.9524 1.0551 1.1911 0.7788 1.1103 1.2713 0.8237 1.0088 1.1080 0.8647 1.0682 1.0000 1.5796 1.0162 1.2977 0.9024 0.7049 0.6282 0.9340 0.8781 0.9961 0.7258 0.8399 0.7989 0.8402 1.1278 1.6189 0.9053 0.9761 0.7585 1.1218 0.9429 0.6671 0.7363 1.1136 1.0279 0.8052 0.9237 0.7304 1.1042 0.9266 1.0589 1.0126 0.8055 0.8473 1.1282 1.3932 1.0736 0.9348 0.8824 1.4892 0.9955 0.9489 0.8913 0.9812 0.9657 1.0198 0.8056 1.2556 1.2683 0.8544 0.9193 0.7874 1.2324 1.0013 1.2514 0.8480 1.0365 0.8938 0.9297 0.9769 1.2372 1.0532 1.1558 0.8768 0.8985 1.1834 0.6204 0.9144 1.3708 1.4477 1.1916 0.9328 1.1734 1.0649 1.0266 1.1371 1.2192 0.6583 1.2010 0.9731 0.9703 1.2046 0.9557 1.2218 N-methylhydroxyproline** 0.0706 0.0706 0.0706 0.0706 0.0706 0.6530 0.0706 0.7338 1.9213 0.2333 0.0706 1.0355 0.0706 0.0706 6.2616 0.0706 0.0706 0.0706 0.1947 0.8559 0.0706 0.0706 0.0706 0.0706 0.0706 0.7968 0.0706 0.1846 0.0706 0.3612 0.0706 0.0706 0.0706 0.0706 0.7054 0.3677 0.0706 1.0189 2.3782 0.0706 0.0706 0.7470 0.0706 0.0706 1.0000 1.9723 2.3695 0.0706 2.5635 0.0706 0.0706 1.4728 0.0706 3.4264 0.7581 4.2291 0.0706 1.1851 0.0706 0.2616 0.0706 0.0706 1.4531 0.9049 0.5106 0.1508 0.0706 0.3716 0.0706 2.2594 0.0706 0.0706 1.6196 0.0706 1.5405 0.9550 0.0706 0.0706 0.2669 0.1826 0.0706 0.0706 1.0699 5.9619 0.0706 0.0706 0.0706 0.0706 2.4682 5.6951 0.7861 0.0706 2.0372 0.0706 0.5295 1.0734 0.0706 0.8515 0.7670 0.0706 0.0706 0.8733 0.4000 1.2981 2.8714 4.5851 2.3608 0.0706 3.8994 0.0706 1.7356 0.0706 4.6850 2.0496 0.0706 0.0706 0.0706 1.1188 0.7119 0.0706 0.5781 0.0706 0.0706 0.4570 0.6766 0.1894 0.0706 0.6457 3.3927 0.0706 1.7816 N-methylpipecolate 0.7409 0.2319 3.6245 0.9113 0.5620 1.3056 2.1335 0.7553 0.2264 0.6810 0.7072 3.2571 1.2533 2.0248 3.3664 0.6589 0.5180 0.7295 1.0986 1.8688 0.6848 0.4752 1.7113 0.8608 0.3016 1.5053 1.1086 0.4407 0.3552 0.3689 0.7082 0.7746 2.4548 2.4456 5.9615 0.9156 2.2005 1.2279 2.8799 0.4965 0.4828 2.1608 0.7749 3.6936 1.6691 0.4216 3.3917 1.6719 3.0184 1.3419 1.1686 1.1445 0.2394 0.4452 2.3334 3.6414 0.3593 0.3482 0.6394 1.6040 0.5936 2.5658 4.5893 0.4436 0.5302 0.8545 3.6814 0.3397 0.2589 0.6633 0.5840 1.6337 0.4197 0.4780 1.6666 2.7585 0.4206 2.3948 0.8657 0.2766 1.6683 0.4338 1.0829 0.8309 2.0955 0.4792 0.6110 0.9096 0.8961 1.8804 1.0243 0.5737 1.0262 0.3795 1.9997 1.2482 0.9484 2.5098 0.3094 4.5865 0.1815 3.5040 2.7996 1.4662 1.3112 3.8686 0.4561 1.2486 0.7451 3.3533 0.7599 1.0014 1.0582 0.7069 0.9397 1.4431 1.9015 3.9486 0.9041 1.5409 0.3433 0.4900 0.4871 1.8263 0.8864 1.3038 1.1651 2.5464 1.6135 0.9051 1.0000 N-methylproline 0.4513 0.3723 0.1495 0.3570 0.2431 1.2160 0.9088 2.2011 6.4345 0.8148 0.6639 2.7682 0.5627 0.3705 5.8375 0.7908 0.3766 0.9446 0.3673 1.6778 0.6334 0.5666 0.2125 0.3406 0.5271 1.7546 0.2747 0.5432 0.3074 0.1266 0.0811 0.8666 0.1891 0.6277 1.2060 0.3966 0.5945 3.5700 1.8437 0.5553 0.8564 1.3238 0.4424 0.8087 0.5913 3.9514 4.4541 0.1016 2.3644 0.5815 1.4253 3.4138 0.8906 2.8167 1.2854 10.0614 0.3539 4.0982 0.5369 31.5380 0.7404 1.1305 3.8105 5.7454 1.5764 1.2082 1.0234 0.9303 0.4594 0.8763 0.8274 0.7195 2.7497 2.1459 5.1069 2.6719 0.9064 0.5450 0.4786 0.3961 0.3983 1.4108 2.2731 13.2079 1.0000 4.5463 0.3235 0.5491 4.8373 7.7749 1.8399 2.7939 6.5268 0.7447 1.6926 2.0326 0.2255 2.1919 2.2996 1.2148 0.5147 1.0625 1.3151 3.0913 6.6460 8.6771 6.7507 2.0200 7.4595 2.3225 7.4194 0.1797 10.8260 3.3612 0.4672 9.8916 0.3829 1.0014 3.0877 0.3952 0.4394 0.0764 0.7191 0.3571 1.5353 1.7034 0.0836 0.7863 5.8803 1.1262 1.3728 N-methyltaurine 1.7281 0.2697 0.2697 0.3615 0.2697 0.2697 0.6512 0.2697 0.2697 3.8016 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 1.0985 0.2697 12.1137 0.2697 14.2493 0.2697 0.2697 0.2697 0.2697 1.2703 3.1979 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 0.9648 0.2697 0.8275 2.9940 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 5.1822 0.2697 1.3709 0.2697 0.3843 0.2697 0.2697 0.2994 0.4828 0.2697 0.2697 3.1563 0.6328 0.2697 0.7584 1.6404 0.9513 0.9355 0.6304 0.2697 0.2856 0.7630 0.3317 1.0352 0.4659 0.2697 0.2697 0.2697 19.9040 0.5629 0.2697 1.6137 0.2697 0.2697 3.6006 0.4629 0.6053 0.2697 0.2697 0.2697 0.7127 0.5369 1.9469 4.2851 18.9311 0.2697 2.0798 0.5145 0.2697 1.8185 8.1796 5.7028 1.1223 0.2697 0.4966 0.2697 0.2697 0.7806 0.2697 0.2697 0.6598 0.2697 0.2697 0.2697 1.8872 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 2.7934 0.4145 0.2697 0.2697 2.9548 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 0.2697 N-oleoylserine 1.0713 1.4097 0.9560 0.7048 0.7521 0.7627 1.0953 0.8498 0.6173 1.2418 1.6362 1.0091 1.0972 0.9104 0.5243 0.9960 0.8335 1.4305 0.9376 1.1045 0.7798 1.3828 0.8830 0.8275 1.7915 1.2323 1.0341 1.2851 0.7602 0.8595 0.6250 0.9763 0.8197 0.9551 0.7994 1.0858 1.1384 0.8793 0.7106 0.5243 0.9201 1.3172 1.1690 1.1703 1.3276 0.9360 0.8577 0.6248 0.5306 1.0573 0.9684 0.8000 0.8632 1.1820 0.8732 1.2239 1.3863 1.3178 0.8078 1.5941 0.5243 0.8105 0.8671 0.9975 0.8875 0.7215 1.2418 0.8321 0.8544 1.6554 1.3149 0.8298 1.2178 1.2632 0.9203 1.1402 1.8419 0.8891 1.5883 0.8596 0.9716 1.6540 1.6611 1.2749 0.9783 0.8447 1.2073 1.1121 1.1919 1.2747 1.2260 1.0025 0.9425 1.6219 0.5243 1.3867 1.0556 0.8893 1.0161 1.2610 1.2925 1.2852 0.6887 1.0336 1.1876 0.8234 1.3103 0.9485 0.9600 0.7936 0.9143 1.0286 1.4740 0.7903 0.5243 1.1756 0.9356 0.9821 0.9840 0.7338 1.0622 0.5243 1.0610 0.8767 1.0148 1.0301 0.9816 1.3354 1.6773 0.9449 1.0461 N-oleoyltaurine 1.4676 2.3919 1.0418 0.8982 0.4227 0.7829 2.1889 0.4227 0.7027 2.3420 2.5540 0.7663 1.2819 1.7293 1.0463 1.4856 0.4227 1.4136 1.1765 1.6369 0.6697 1.2975 1.2323 1.4045 1.7804 0.9458 0.4227 1.0983 0.9006 0.8081 0.9775 0.5487 0.8584 1.5109 1.0554 1.6301 0.4227 0.4903 0.6860 0.7773 0.4227 1.1556 1.1214 1.8181 0.9371 0.7968 0.8033 1.7294 0.5949 0.9525 0.7740 0.4227 0.6910 1.3645 0.8219 1.2863 0.7092 0.7268 0.6888 1.2885 0.4621 0.8213 1.1813 0.8482 0.6829 0.5482 0.7552 0.8205 0.7499 1.2615 1.0356 0.7537 1.3482 0.4227 0.8081 0.4227 3.4491 0.6880 1.0758 0.8137 0.9291 1.9161 2.2946 1.9294 1.2604 0.7518 1.5897 1.5508 1.0984 0.7622 0.8128 0.8379 0.8497 0.9825 0.4227 1.2091 1.6630 0.9024 0.9369 1.1191 0.4227 0.8296 0.5620 1.0179 0.9296 0.6980 1.0591 1.1501 0.9919 0.9537 1.0764 0.9493 1.3067 1.1066 1.0208 1.1459 1.0699 1.1655 1.1474 0.7439 0.5644 1.0000 0.7928 0.8498 0.6776 1.4650 1.1572 1.6540 0.9883 1.0020 1.1779 N-oxalyl glycine (NOG) 1.1131 0.4149 0.7199 0.8899 0.1981 2.5246 0.9448 0.4791 1.5308 0.4247 0.9278 0.7617 0.6020 1.0629 1.1302 0.4764 1.0593 1.8412 0.7573 0.6422 1.4088 0.4765 0.5147 0.7249 0.8105 0.5993 0.4266 0.5675 0.5871 0.5673 1.0000 0.6908 1.0471 0.8092 1.8374 1.1423 1.1806 0.6627 0.6370 3.1264 1.9063 1.1377 0.9151 0.1976 1.0868 0.9362 2.6330 0.0926 0.8795 0.8554 0.4420 0.5452 0.6119 0.9709 1.1384 1.4724 3.1216 4.9289 3.1551 5.1287 1.2690 0.7494 0.5216 1.0790 1.4157 1.2772 1.8103 0.7164 0.8466 1.2146 1.2452 1.0745 0.3044 0.9976 0.6974 0.8936 0.4509 0.4967 1.4551 1.0205 0.5846 1.0896 1.4891 1.1456 0.8784 1.4133 0.7591 1.1386 1.0429 1.1488 5.7579 1.5378 0.7812 6.5365 0.9430 1.0296 0.7459 1.1806 1.6776 1.7082 1.6986 0.5838 1.0964 2.0840 1.7733 0.5120 0.4570 0.3134 1.2257 0.9346 0.9551 0.7709 0.7853 0.5786 1.3137 1.5776 0.7197 0.6202 1.4399 1.4251 1.3924 1.1565 1.4156 1.1821 0.9175 1.8760 1.1766 1.1003 1.8384 1.3635 0.5440 N-palmitoylglycine 1.0825 1.6621 0.9198 0.9764 0.9589 1.1262 1.0529 0.5343 1.1062 1.1007 1.7353 0.9054 0.9921 1.9368 0.9595 1.2872 0.7249 1.0284 0.8363 1.4181 0.9126 1.1293 1.1626 1.1566 1.2297 1.1132 0.8784 0.9982 0.8586 0.7931 0.9598 0.9222 0.9321 0.8110 0.9053 1.0086 0.7538 0.6746 1.1431 0.8178 1.1752 1.3972 1.0545 0.9410 1.1664 0.9142 0.9722 0.8688 0.5768 0.9932 1.2287 0.6798 0.6032 1.1299 0.6175 1.1060 1.1330 1.0946 1.2152 0.9374 0.9147 1.0057 0.7346 1.0013 1.0326 1.2116 0.9916 1.2175 0.9990 1.5682 1.2770 0.8333 0.9481 1.0834 0.9673 0.8199 1.9991 0.9990 1.3112 0.8905 0.8699 1.7268 1.6809 1.5837 1.0471 0.8519 1.2088 1.0695 0.8344 1.1138 1.0000 0.7260 0.8328 0.7164 0.3834 1.1111 0.9789 1.0032 1.1462 1.2102 1.0114 0.8997 0.7039 1.0282 1.0434 0.6841 1.2941 0.9102 1.0024 0.9985 1.0847 1.1600 1.1444 0.9134 0.8912 0.8846 0.9286 0.9390 0.7801 0.9481 1.1378 1.0882 1.0865 0.8863 0.7358 1.2044 1.2624 1.0213 1.1840 1.0851 0.8943 N-palmitoylserine 0.2957 0.2957 0.2957 1.0000 0.2957 1.0149 0.2957 0.5974 0.8949 0.2957 0.2957 0.2957 0.2957 0.2957 0.2957 0.2957 0.9222 0.4938 0.7131 0.2957 1.0460 0.2957 0.5417 0.4251 0.2957 0.2957 0.6177 0.2957 1.0396 0.2957 0.2957 0.2957 0.2957 0.2957 0.2957 1.6113 1.4673 0.5758 1.0704 0.2957 1.4051 1.4598 0.2957 0.8446 1.0560 0.2957 1.0509 0.2957 0.5890 0.6125 0.6014 0.7156 0.2957 0.2957 1.2152 0.7124 1.2411 0.2957 0.8311 0.2957 0.5325 0.2957 0.2957 1.0643 0.2957 0.8406 1.0885 1.3414 0.9122 0.2957 0.2957 0.2957 1.0872 1.9142 0.2957 1.1144 0.2957 0.2957 0.2957 1.1467 0.5436 0.5399 0.2957 0.2957 0.8166 0.7490 1.1496 0.8558 1.0652 1.4598 0.9269 0.9643 0.2957 0.7760 1.0786 1.1249 0.2957 0.2957 0.2957 1.6215 0.5901 1.9956 0.2957 0.2957 0.2957 0.2957 0.2957 0.2957 0.9614 0.2957 0.2957 1.2211 1.3030 0.2957 1.0135 0.2957 0.2957 0.2957 0.2957 0.5070 0.2957 0.2957 1.0602 0.4498 1.0053 0.2957 0.8465 1.0004 0.2957 1.1321 0.2957 N-palmitoyltaurine 1.8464 2.4219 1.8339 0.9614 1.2221 0.6477 1.0095 0.3992 0.8590 1.2542 2.0023 0.8170 0.3992 1.0983 1.1341 0.8848 0.6080 1.1376 0.8257 1.8668 1.1401 1.9738 0.6973 1.3524 1.2566 0.3992 1.0160 0.8309 1.2626 0.8659 1.3081 0.7025 1.7151 2.6024 0.8388 1.4025 0.5325 0.5735 1.2379 1.2559 0.9104 0.7203 1.3332 1.4989 1.1950 0.3992 0.7725 1.8404 0.7202 1.1291 1.2308 0.4999 0.3992 0.9640 0.6215 1.2156 0.7467 0.3992 0.6882 0.3992 0.5208 1.0854 1.1347 0.3992 0.3992 0.3992 1.3652 0.3992 0.6807 0.3992 0.3992 0.3992 0.7839 0.3992 0.3992 0.7921 1.2557 0.3992 0.5929 0.7914 0.3992 1.4813 1.8648 0.7572 1.0165 0.3992 1.1859 1.0089 0.6857 0.7509 0.3992 0.3992 0.7299 0.4932 0.3992 0.5362 0.9204 0.8035 1.3591 0.8048 0.3992 0.3992 0.3992 0.7686 0.3992 0.3992 1.3307 0.7345 1.4769 0.3992 0.7457 0.3992 0.8399 1.1681 0.3992 0.8672 1.6978 1.2583 1.1558 1.6224 0.7088 1.1744 0.7944 1.0000 0.8325 1.1529 0.7519 1.2012 0.3992 0.8374 0.8139 N-stearoyltaurine 1.0671 1.4050 1.2348 0.9142 1.1738 1.0932 1.2863 0.7729 0.6747 1.5668 1.0610 0.8021 0.8627 0.9862 1.1816 1.3112 0.9958 0.7870 1.3141 1.5231 1.4494 1.1869 1.4764 1.0744 1.5327 1.2357 0.9777 0.8682 0.7495 1.0598 1.4312 0.9233 1.8191 1.7962 0.7839 1.3519 1.0610 1.0845 0.8719 0.6584 0.8931 0.7707 1.0639 1.2813 1.2219 0.4828 0.9590 1.5051 0.9615 0.4828 1.1705 0.7340 0.7591 1.1491 1.0629 1.1926 1.1239 0.8188 0.8814 0.4828 0.9707 0.5191 1.1715 0.4828 0.8926 0.8033 1.2654 0.4828 1.1260 1.0000 0.8685 0.8750 0.5261 0.9238 0.8255 0.8857 1.0735 0.6150 0.9587 0.9289 0.7724 1.5791 2.4992 1.2121 0.9269 1.0673 1.7974 1.2670 0.4828 0.7672 0.7354 0.5833 1.3435 0.5624 0.4828 0.8835 1.3980 0.7732 1.3325 1.1724 0.9248 1.2308 0.4828 0.4828 0.6784 0.9376 0.8940 1.1821 1.7311 0.9503 1.4143 1.0295 1.3974 1.3745 0.4828 0.6093 0.9274 0.8970 0.6460 1.3112 0.8368 1.2692 0.6655 0.7279 0.4828 1.2971 0.4828 1.0783 0.4828 0.8055 0.9213 N1-Methyl-2-pyridone-5-carboxamide 0.5207 1.0491 1.4455 1.7556 0.8270 1.0167 1.0000 0.7198 1.0023 1.0820 2.0130 0.5718 0.6694 0.6241 1.3317 1.9477 1.2465 1.7493 2.3310 0.7270 0.6889 1.8562 0.8606 0.7678 1.3672 0.7694 1.6888 1.2467 0.8793 0.7249 0.9811 1.1584 0.9536 1.9505 2.4303 2.0479 1.1495 0.8469 1.7650 1.6029 0.8273 1.4970 1.3142 1.7958 2.3667 1.5358 0.9933 0.8745 2.4249 1.4510 0.8101 0.5655 0.6604 0.7672 1.1793 1.0522 0.4916 0.4926 1.6145 0.0954 0.5200 0.8588 0.9351 0.8690 0.4559 0.9691 0.5290 0.4488 0.4468 0.8930 0.3863 0.5062 1.2299 0.5829 0.9095 0.6883 0.8279 0.6224 0.9919 0.4623 0.6607 1.3567 1.9193 0.8446 1.0547 0.5170 0.5987 0.4021 0.5622 0.9686 1.3056 0.5583 0.7039 1.1390 0.6604 2.2146 0.6451 1.1240 1.1076 1.6296 0.7359 1.0665 0.6381 0.7533 1.4579 1.1828 1.2062 1.2622 2.7192 1.2740 1.4344 0.9730 1.1438 0.7710 1.3611 0.8227 1.9198 1.1923 2.0336 1.0584 1.3280 0.6455 1.7365 1.6715 0.8362 1.3801 1.5974 1.2132 1.7945 1.0869 0.9961 N1-Methyl-4-pyridone-3-carboxamide 0.5446 0.2823 0.2823 0.2823 0.7371 0.9187 0.9631 0.2823 1.1088 0.2823 1.8517 0.4319 0.6250 0.4656 0.2823 2.1940 1.0987 0.2823 0.2823 0.2823 0.6036 2.1598 0.9656 0.6487 1.0771 0.2823 0.2823 1.2349 0.9630 0.8606 0.2823 0.2823 0.2823 2.3908 2.7216 0.2823 1.0000 0.7524 2.7832 1.8533 0.2823 0.2823 1.5589 2.1303 3.5089 0.2823 0.2823 0.2823 2.5950 1.3636 0.7279 0.3937 0.7487 0.8699 0.2823 0.2823 0.2823 0.6228 1.9482 0.2823 0.2823 0.8071 0.2823 0.2823 0.2823 0.2823 0.2823 0.2823 0.6144 0.2823 0.2823 0.6042 1.3782 0.2823 0.8569 0.5775 0.6450 0.2823 0.2823 0.2823 0.2823 1.3833 2.0693 0.2823 1.4014 0.2823 0.2823 0.2823 0.2823 0.2823 1.5144 0.2823 0.4940 0.2823 1.4088 2.3665 0.7882 0.8501 0.2823 0.2823 0.2823 0.2823 0.5970 0.2823 0.2823 0.2823 1.1322 1.5134 0.2823 1.4352 1.3896 0.2823 1.1064 0.2823 0.2823 0.2823 0.2823 0.2823 1.7156 0.2823 0.2823 0.2823 0.2823 1.6403 0.6790 0.9514 0.2823 0.2823 0.2823 0.2823 0.2823 N1-methyladenosine 1.0776 1.1360 1.1695 1.0998 0.9247 1.4441 0.9757 1.2247 0.9249 1.1306 1.0720 1.1982 0.9687 1.1023 1.0074 1.1293 1.0907 0.8809 1.1018 1.0302 1.1661 0.9561 1.0339 1.0860 0.8922 0.9242 1.0000 0.9948 0.8757 1.0450 1.0845 1.2034 1.4377 0.8315 1.2814 1.1876 1.0180 0.9528 1.1526 1.0742 1.0322 1.2130 1.0030 0.9408 1.1815 0.9582 1.0042 1.2374 1.3689 0.9903 1.0446 0.9941 0.5703 0.7353 0.7422 0.8985 0.9577 0.7315 0.9768 0.8431 1.0596 1.0517 0.9855 0.9801 0.8270 0.9338 1.0310 0.8674 0.6183 0.8445 0.8069 0.8047 0.7826 0.8151 0.7499 0.9746 0.8136 0.9422 0.8779 0.8333 0.7276 0.9936 0.9270 1.1246 0.7919 0.9484 0.9766 0.9391 1.0423 1.1157 0.8898 0.9194 1.0637 0.6517 0.8699 1.0239 0.8480 1.0083 0.9335 1.2404 0.8960 1.1425 0.9922 1.0281 0.8945 1.0239 0.9164 1.1888 1.1706 1.1332 0.9464 1.1024 1.0614 0.9529 1.0160 1.0390 1.4119 0.9910 0.9117 1.0230 0.8912 1.0021 1.2396 1.1894 0.7693 1.2795 1.0859 0.9913 1.2791 1.0193 1.1292 N1-methylinosine 1.3076 1.6560 1.1584 1.7759 1.0668 1.6025 0.8671 1.5274 1.1413 1.1335 1.1642 1.6877 1.0614 1.1859 0.6883 1.6177 1.7276 1.1147 1.9366 1.2304 1.5515 1.3603 1.2253 1.3119 1.0763 0.9412 1.9626 1.1177 0.6062 1.0707 1.3105 1.2103 1.2376 0.9793 1.7606 1.2648 1.0183 1.2541 1.7482 0.7924 0.9379 1.5852 0.9613 1.0942 1.2334 0.8129 0.7228 1.1636 2.6882 1.2530 1.2053 0.8374 0.6631 0.6547 0.5656 0.7694 0.6708 0.6500 0.6610 0.2913 0.9948 1.0018 0.9434 0.9168 0.6617 0.7154 1.0538 0.8060 0.5034 0.8001 0.8151 0.8268 0.9482 0.5659 0.5711 0.7864 0.7686 1.1854 0.8683 0.8702 0.8852 0.7686 0.9981 0.9277 0.8487 0.5159 0.8632 0.8366 0.9697 0.8267 0.6937 0.2913 0.6622 0.5340 1.1987 1.3006 0.9279 0.7318 0.9264 1.9385 0.7137 1.2858 1.1148 1.0915 0.9104 0.8408 0.8663 1.6813 1.0850 1.1677 0.7888 0.6899 1.2554 1.0464 0.7765 0.8046 1.9887 1.2377 0.6742 1.2184 1.0103 0.6109 1.3151 1.5755 0.8153 1.2686 0.7649 1.2550 1.4740 0.9982 1.3669 N2,N2-dimethylguanosine 1.2576 1.3663 1.0440 1.6230 1.0127 1.7543 0.8676 1.3043 1.2394 1.2059 1.1937 1.4454 1.1339 1.2846 0.8753 1.4002 1.4029 0.9423 1.1843 1.2246 1.4267 0.9492 1.1858 1.1100 1.0000 1.0507 1.4199 1.0613 0.8034 1.1550 1.2654 1.0809 1.2760 1.1183 1.5111 1.4393 0.8818 1.0193 1.4008 0.8382 0.8326 1.5206 1.0067 1.0437 1.1249 0.8205 0.7473 1.1615 1.8438 1.1697 1.2211 0.8234 0.6825 0.7008 0.6592 1.0590 0.7110 0.6104 0.7278 0.6986 0.9018 0.9504 0.8912 0.8321 0.6766 0.7437 0.9563 0.7001 0.4981 0.8026 0.5552 0.7958 0.9090 0.6192 0.6588 0.9036 0.8385 0.9410 0.7155 0.8056 0.6565 0.9312 0.8546 1.3582 0.8510 0.8010 0.7528 1.0113 0.9769 0.9160 0.8097 0.7006 0.6690 0.5592 0.9843 1.2103 0.7508 0.9588 0.8750 1.7041 0.8726 1.2540 1.3070 0.9850 0.9858 1.0067 0.9464 1.4828 1.1338 1.2505 1.0685 0.8439 1.1613 1.1533 0.9560 1.6228 1.7310 1.0441 0.8439 1.1829 1.0087 0.8765 1.0246 1.1380 0.7449 1.3585 0.9558 1.0689 1.4428 0.9777 1.3594 N2,N5-diacetylornithine 0.3487 0.3487 0.3487 0.3487 0.3487 0.6572 0.6289 1.2854 0.7863 1.9284 0.5716 0.5805 0.5752 0.6549 0.7342 0.3487 2.9893 0.3487 1.9610 0.4668 0.7874 0.3487 0.3487 0.5263 0.3487 0.6278 1.8725 0.3487 0.4180 0.3487 1.0000 1.0185 0.3487 0.3487 0.3487 1.5542 0.6541 0.8421 0.7951 0.8218 1.1317 0.5370 0.3487 0.3487 2.3552 0.3487 0.7777 0.3487 3.7691 0.6248 0.8492 1.1336 0.3487 0.6795 0.7017 1.1450 0.8220 1.1190 0.8020 1.7409 1.8030 2.0138 2.2193 0.3487 1.0725 2.0996 0.8628 0.6658 0.3487 0.3487 1.1516 0.3487 0.3487 0.3487 0.3487 1.0589 0.3487 0.4642 0.3487 0.8702 1.2387 1.0514 1.1834 0.7820 1.1402 0.9508 1.2007 0.6732 2.8739 0.5397 1.1494 0.4366 1.2138 1.0667 1.1747 1.0716 0.3487 1.0568 0.6725 0.8600 1.0277 0.8310 0.3487 0.3487 1.2464 1.0391 0.6034 1.0139 1.4466 1.5025 0.6880 0.6718 1.4771 0.5246 0.5690 1.8726 2.0185 2.1268 0.9512 1.3420 0.7629 0.9816 0.3487 1.3097 1.1564 0.3487 0.5140 1.3365 0.8871 0.3487 1.1501 N2-acetyl,N6,N6-dimethyllysine 0.3120 1.0308 1.1009 0.3120 0.3120 0.3120 0.9948 0.3120 0.6401 0.7017 0.3120 0.9827 2.1996 1.0344 0.9605 0.3120 0.4705 0.3120 0.3120 0.7461 0.3120 0.3120 0.3120 0.3120 0.3120 1.5058 0.3120 0.3120 0.3120 0.3120 0.7121 0.3120 1.7250 1.3220 1.2049 0.7086 0.6241 0.3120 2.7865 0.9377 0.3120 0.3120 0.3120 0.5837 0.8572 0.3120 0.8914 0.3120 1.3292 0.3120 0.6233 1.0052 0.3120 0.3120 0.7704 2.7644 0.3120 0.3120 0.3120 1.8757 0.8003 2.4974 1.7489 0.3120 0.3120 0.3120 0.9411 0.3120 0.3120 0.3120 0.3120 1.2544 0.3120 0.3120 0.6212 1.8963 0.3120 0.8796 0.3120 0.4615 2.9510 0.5712 0.3120 0.3120 1.0446 0.3999 1.1000 0.3120 0.3120 0.9538 0.3120 0.3120 0.3120 0.3120 2.0306 0.5230 0.7083 0.8490 0.8659 1.4668 0.3120 3.7719 0.8004 1.0545 0.9427 1.0248 0.3120 0.3120 0.3120 5.1475 0.3120 1.6226 0.3120 0.3120 1.3816 0.3120 1.0459 2.6159 0.6077 0.3120 0.3120 0.3120 0.3120 1.0709 0.8468 0.3120 0.3120 2.2087 1.4449 0.3120 0.3120 N2-acetyl,N6-methyllysine 0.1081 0.1081 0.5482 0.1081 0.1081 0.1081 1.1754 0.3088 0.2136 0.1081 0.1081 0.4409 2.5973 0.8045 0.9363 0.1081 0.3381 0.6803 0.1081 1.0280 0.1081 0.1081 0.4274 0.3116 0.1081 2.9690 1.2417 0.1081 0.1081 0.1081 1.4040 0.1081 1.1885 0.7162 0.3509 1.5979 1.0003 0.3263 2.7174 0.9804 0.7611 1.0000 0.1081 0.8525 0.6441 0.1081 0.4232 0.1081 1.3844 0.1081 0.5820 1.8210 0.1081 0.1081 0.9484 5.3256 0.1081 0.1081 0.3334 3.4188 0.2552 4.4829 1.9723 0.1081 0.1081 0.3016 1.3382 0.2098 0.7801 0.1081 1.0481 1.5541 0.1081 0.1377 0.8843 4.2458 0.1081 1.0341 0.1081 0.6659 7.5062 1.1771 1.0704 0.1081 0.7914 0.4558 1.3315 0.1081 0.3378 1.0677 0.1081 0.1081 0.1081 0.1081 1.7141 1.0000 1.1338 0.4725 0.5564 1.7166 0.1081 4.9253 1.3995 0.7947 1.1793 0.9392 0.5980 0.2167 1.2968 9.6657 0.7938 2.7173 0.1081 0.1081 1.6082 0.1081 1.5259 5.7139 1.2874 0.1081 0.1081 0.2481 0.1081 0.9063 0.9451 0.1081 0.1081 1.8475 1.5266 0.1081 0.1081 N2-acetyllysine 0.1787 0.9431 0.9639 0.5291 0.9815 0.6436 0.5629 1.1080 0.8295 1.3159 1.0057 0.1787 1.6216 0.1787 0.6128 0.9943 1.8876 2.2477 0.6763 0.3112 0.1787 0.1866 0.3529 0.9388 0.1787 0.9619 1.5923 0.1787 0.7733 0.8566 1.7222 0.6237 0.7949 0.4307 0.3362 6.0404 0.4817 2.7851 1.7642 1.2815 1.0187 1.6271 1.6871 0.3593 1.9531 0.1787 0.6054 0.1787 2.0534 0.4244 1.1815 1.0663 0.1787 0.1787 1.0094 2.6264 0.6608 0.8286 2.7435 1.1674 1.0097 1.2498 0.8250 0.1787 0.4944 0.4429 0.4082 1.1438 0.9311 0.1787 1.1707 0.1787 0.3748 0.1787 0.1787 1.0858 0.1787 0.1787 0.4275 1.4029 2.4030 1.6374 1.0572 0.8231 0.1787 0.5814 2.2886 0.3756 0.6017 0.9219 0.1787 0.1787 0.5251 0.1787 0.4776 1.3145 1.3039 0.5208 1.1234 0.3009 1.8227 2.3941 0.1787 0.3725 2.4714 0.1787 1.1254 0.1787 3.7008 3.5264 1.1605 1.6296 0.4767 0.4096 1.5751 0.6727 5.2015 2.5087 3.0041 0.1787 0.1787 1.1421 0.5212 1.3458 1.8001 0.3054 0.4884 2.1065 1.6364 0.2120 0.3746 N4-acetylcytidine 2.0882 1.0889 0.9954 2.4753 0.5759 4.7213 0.7289 1.9092 2.6567 0.6758 1.1891 1.9926 0.1876 1.4514 1.3057 0.2089 0.4734 0.3336 0.9953 0.6577 1.5152 0.2650 0.3330 1.2608 1.0613 0.1650 1.2930 0.7441 1.0329 1.2276 0.5488 1.8142 5.5135 1.8468 4.6629 0.7751 1.3435 0.4811 1.4890 0.8241 1.2775 1.1108 0.7592 0.3411 2.0050 0.8148 0.2657 1.1075 2.3787 0.6118 3.4601 0.5863 0.6819 1.3181 0.2246 0.4305 0.7860 0.7380 0.6678 0.9121 1.4565 0.5247 1.6568 0.4279 0.4594 0.4449 0.8026 0.9735 0.4212 0.6107 0.4730 1.1853 0.5390 0.6438 0.7090 1.0765 0.6637 0.9950 0.4881 0.2375 0.3343 0.4201 1.0007 0.5857 0.9854 1.0639 0.4067 0.6415 0.7023 1.1348 1.3947 1.7539 0.4742 0.5651 0.8131 3.0014 0.6731 1.8703 0.5806 0.5315 2.7514 4.1581 1.0660 1.6159 1.4148 1.6745 0.9039 1.6098 1.7364 0.9595 1.1859 1.2469 2.1158 1.5018 1.0000 2.5589 3.0253 1.3091 2.1463 1.0848 0.9765 1.8343 0.9932 1.0608 0.9502 1.4766 1.3555 1.9796 2.0859 1.1301 1.9158 N6,N6,N6-trimethyllysine 0.5511 0.9535 0.7427 1.3645 1.0283 0.6680 1.6188 0.5788 0.6668 1.6287 0.7732 1.1480 0.6229 0.8496 1.2761 1.0320 3.5208 0.8698 3.3607 1.0000 0.8485 0.9266 1.0166 3.7399 0.6114 1.2669 1.4547 0.7124 0.9422 0.8559 1.3636 1.0279 0.8575 0.8274 0.8219 0.8737 0.8111 3.1618 0.8082 0.7603 1.6792 0.7593 0.8143 1.1004 2.0752 0.8898 2.1589 1.2219 1.2270 0.7779 1.1848 0.7820 0.7792 0.8010 0.6878 0.9235 1.5088 0.6692 0.7589 0.6902 1.0353 0.8858 2.0319 1.1582 0.7808 0.8507 1.2859 0.7023 0.8516 0.5439 1.0551 0.7637 1.0066 0.7451 0.5796 3.1355 0.6355 1.0463 0.9968 0.6290 1.2252 1.1626 1.6954 0.9243 0.7341 0.9690 1.8712 1.7153 0.9808 0.8945 1.5405 1.1348 1.1148 0.8515 5.8938 1.3670 1.7044 0.5581 0.8269 1.0264 1.0060 0.9067 0.9396 0.8761 1.7814 0.5630 1.3614 1.1217 0.8296 1.1400 1.2479 1.3629 1.3115 1.2503 1.1850 1.6944 1.7321 1.4419 2.0297 0.9961 1.0577 0.7795 1.3655 1.9631 0.7248 1.5624 1.1547 1.1641 1.5449 0.8600 0.9401 N6,N6-dimethyllysine 0.7628 0.6982 1.9899 1.1310 0.9084 0.6775 1.6265 0.8833 0.5178 1.0492 0.8556 2.7345 1.9345 2.4804 1.9457 0.8036 0.9576 0.9750 1.2886 2.0162 0.7831 0.9664 1.8432 0.6288 0.5131 2.0621 1.0399 0.7365 0.6616 0.8169 0.8557 0.7293 2.0893 2.1891 3.1267 0.9221 2.1573 1.3669 2.1729 0.7889 1.0748 1.1964 0.7953 2.0187 1.4722 0.8745 2.1798 0.6042 1.3012 1.1107 0.8983 1.4489 0.4615 0.6684 1.5123 2.1758 0.8769 0.6299 0.6083 1.2001 0.7181 1.9343 2.5815 0.6393 0.7090 1.6260 2.3447 0.4849 0.6106 0.4571 0.6847 1.6560 0.6663 0.9198 1.5220 1.9463 0.8020 2.1595 0.8558 0.3960 1.6684 0.8685 1.1572 0.9426 2.1393 0.8037 0.9715 1.0612 0.9327 1.9478 0.8411 0.7947 0.7914 0.5544 2.6765 1.1256 1.3057 2.0378 0.5169 3.4162 0.4522 1.8514 1.8059 1.9046 1.1909 2.0076 0.9318 1.1790 0.8561 2.8539 0.8718 2.2647 1.0006 0.8508 0.8718 1.2529 1.0030 2.5228 1.0497 0.9841 0.4105 0.8240 0.8008 1.0871 0.6577 1.0613 1.0000 1.9950 1.4715 0.8838 0.9055 N6-acetyllysine 0.8481 0.9247 1.0728 1.1150 0.9128 1.5263 0.6178 0.7547 0.7457 1.0234 1.3389 1.2916 1.0625 0.6638 0.9410 1.2542 1.3771 1.1563 1.1376 0.8537 0.8992 1.0425 1.0372 0.7468 0.9771 0.9694 1.4114 0.9849 0.8270 1.2695 0.7093 0.7676 0.9104 1.2406 1.0627 1.1447 1.2486 1.0826 0.9655 1.2025 0.9351 1.6256 0.7338 1.0305 1.3957 1.0323 1.4452 0.5654 1.6775 1.0833 1.1068 0.8705 0.8433 0.7921 0.8882 1.2747 1.1336 0.9216 1.0226 0.7746 0.8537 0.7281 0.8802 0.7561 0.9300 0.9327 1.3405 0.7359 0.5190 1.3605 0.8323 0.7578 1.0409 0.8987 0.9087 1.1373 0.8049 1.1800 1.0671 0.8417 0.9317 0.9735 1.1384 1.1482 1.1299 0.9453 1.0020 1.0584 1.4080 1.0553 1.0027 1.5412 1.0000 0.8472 1.2689 1.5411 0.9768 0.9096 0.8727 1.4714 0.7898 1.0873 0.8075 0.9786 1.0632 0.7830 0.9343 1.0607 1.2901 1.2044 0.5584 0.8286 1.0001 0.6227 0.8889 1.1565 2.3375 0.8856 0.9146 1.6494 0.6780 0.9324 1.5350 0.9539 0.5674 1.2831 1.3002 0.8711 1.3300 1.2764 1.1695 N6-carbamoylthreonyladenosine 1.2046 1.1483 1.1830 1.2646 0.8902 1.3398 0.9278 1.6736 1.0806 1.0817 1.1030 1.3481 0.9520 1.3195 0.9041 1.2688 1.2981 0.9475 1.7644 1.0554 1.1588 1.1331 1.0446 0.9147 1.0000 0.9849 1.5059 1.3613 0.8376 0.8177 0.9444 1.1610 1.0141 1.0133 1.6082 1.2465 0.9928 1.1875 1.3201 0.8680 0.9609 1.3902 1.0019 1.1932 1.2897 0.9719 0.8844 1.3459 2.0276 1.0160 1.3899 0.8314 0.8335 0.6585 0.7255 0.8439 0.7340 0.8530 1.0355 0.6082 1.2123 0.9866 0.9678 0.9755 0.7667 0.7396 1.1369 0.7322 0.6227 0.6856 0.7493 0.7303 0.8894 0.6523 0.5269 0.8179 0.8781 0.9625 0.7465 0.8592 0.7700 0.7514 0.8640 1.1470 0.8685 0.8337 0.8418 0.9790 1.0639 0.8820 0.7764 0.5906 0.9736 0.5918 0.8040 1.2605 0.8651 0.7884 1.0824 1.3753 0.9124 1.2081 0.9240 1.0309 1.1074 0.7491 1.1041 1.3790 1.1044 1.4042 0.9151 1.0481 1.1613 1.1296 0.8347 2.0717 1.9389 1.2982 0.9696 1.2162 0.9791 0.9507 1.1521 1.1831 0.7294 1.3729 1.0080 1.3900 1.1304 1.0414 1.3455 N6-methyllysine 0.6814 0.4116 2.4567 1.0000 1.0487 0.5944 2.3302 0.8985 0.3478 0.5115 0.7426 3.8119 1.8562 3.4809 3.2150 0.4669 0.7324 0.7701 0.8047 3.7330 0.7107 0.8617 2.2148 0.7371 0.2913 3.3186 1.0590 0.4580 0.5642 0.6015 0.9746 0.7185 2.9556 3.3380 2.8978 0.8399 3.9331 1.7376 3.2634 0.8593 1.2722 1.0564 1.0084 3.8934 0.9991 0.8366 3.4293 0.6474 1.2608 0.9778 0.9908 2.0505 0.4395 0.6567 2.5161 4.3272 1.0362 0.4081 0.3956 1.9653 0.5839 3.5162 4.7423 0.6426 0.5190 1.2603 4.0807 0.3317 0.6881 0.4813 0.6861 3.3315 0.5580 1.2385 3.6488 3.6319 0.9379 3.8704 0.8639 0.3455 3.6090 0.9480 1.0063 0.8071 3.6888 0.9069 1.0366 1.0155 0.9126 2.3657 0.7862 0.7819 1.1327 0.6014 3.6822 1.1680 1.5434 2.0145 0.4397 4.4318 0.2880 2.5078 4.4624 2.0451 1.0108 4.3461 0.7096 1.1259 0.8041 3.1159 0.6591 1.9186 0.9704 0.6484 1.0590 0.9036 0.8303 4.1518 0.6871 1.0023 0.1972 0.5681 0.5723 1.2415 0.6700 1.1419 1.3598 1.6306 1.2242 0.9203 0.6984 N6-succinyladenosine 0.8935 1.0668 1.0062 0.8543 0.4379 1.4486 0.4379 0.4379 0.6595 1.0111 0.8690 1.0571 0.4379 1.1742 0.4379 1.5127 1.0749 0.6224 1.2418 0.8142 0.8908 0.8777 0.4379 1.0837 0.4379 0.4379 1.4255 1.2377 0.9234 1.0343 1.1387 1.4018 1.2104 0.4379 2.0127 1.3655 0.4379 0.4379 1.4255 0.8590 0.4379 1.4826 1.1552 0.4379 1.4148 1.0220 0.9129 1.3560 1.3782 1.2648 1.1641 0.4379 0.4379 0.4379 0.7931 1.1561 0.4379 0.7869 0.7239 1.4634 0.4379 1.1815 0.8787 0.4379 0.8532 0.9420 0.8740 0.9036 0.4379 0.4379 0.9040 0.9579 0.4379 0.8131 0.4379 0.8896 0.4379 0.9130 0.9341 0.4379 0.4379 0.4379 0.7278 1.3594 1.3454 0.9437 0.4379 0.9278 0.9662 0.9352 0.4379 0.8966 0.4379 0.5641 0.4379 1.0873 0.4379 1.0150 0.9987 0.9987 1.0317 0.4379 0.4379 2.0493 1.0000 1.5113 0.4379 1.0998 1.2765 1.4279 0.8206 1.1424 0.7573 0.4379 0.4379 1.6405 1.1027 0.7213 0.8711 0.9177 0.7897 1.1786 0.8967 0.9632 0.7427 0.9549 0.8478 1.0909 1.0253 1.3627 0.9563 naproxen 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 1.2907 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 5.2736 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.9851 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 7.1508 0.0707 0.0707 0.1809 0.0707 0.0707 1.0000 0.1374 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.2784 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 31.7210 0.0707 8.5339 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 2.3053 20.9943 0.0707 0.0707 0.0707 0.0707 0.9841 0.0707 0.0707 0.0707 0.0707 0.0707 0.0707 0.7004 nervonoylcarnitine (C24:1)* 0.8004 1.0867 1.2214 1.1628 0.9595 1.2072 0.7281 0.5600 0.7535 0.8952 1.0384 1.3870 0.6976 0.9563 0.6342 0.8094 0.7558 1.2445 1.1629 1.0217 0.5156 0.9102 1.1793 0.4057 1.1410 0.9830 1.1967 0.8462 1.0799 1.2421 1.3650 0.7520 0.9604 0.9334 1.2903 1.5295 0.9386 1.2979 0.7261 0.5591 0.5243 1.2816 0.9538 1.0374 0.9959 1.1636 0.8434 0.5366 0.5899 1.5982 0.9107 1.3673 0.3432 1.3204 0.3432 0.9901 0.4032 1.4430 1.0368 0.7206 1.1969 0.9715 1.0493 0.9945 1.2192 1.1895 1.1023 0.8053 1.2387 1.0830 0.6852 0.7074 1.0779 0.9210 0.8134 1.1409 0.8478 0.5334 1.5659 0.7396 2.1989 1.2655 1.3286 1.1810 0.7953 1.0673 1.6574 0.9578 0.9495 1.2069 0.9286 1.4354 0.5868 1.3023 0.7391 1.0656 1.5466 0.4326 1.2552 1.6334 0.9269 1.5741 0.7279 1.3585 1.1261 1.1585 1.6391 0.8722 1.8847 0.8946 1.0158 1.0345 0.8845 0.7949 0.8700 0.5183 0.8020 0.6683 0.6432 1.0041 0.8131 0.8748 1.0540 1.1200 0.9862 1.1719 1.7592 1.1730 1.6838 1.3285 0.8485 nicotinamide 0.8176 1.2702 1.4529 0.4528 0.1425 0.4811 0.6898 0.9504 1.0008 0.1425 1.1109 1.0000 0.6435 1.4236 1.2533 2.4085 0.5789 1.5138 0.6158 1.6188 1.3101 2.4520 2.6313 0.5005 1.8620 1.1005 0.8554 1.2456 0.8801 1.4485 1.1248 1.1767 1.1193 1.6546 0.9265 0.8955 1.2361 1.1355 1.1527 0.7243 1.3207 1.0150 1.3276 1.8922 0.7751 1.3030 1.1784 1.7030 0.8121 1.6833 0.9677 1.1686 1.4931 0.4156 1.0543 0.9854 0.8354 0.5163 0.9581 0.7920 1.3878 1.1704 1.2564 0.6200 0.8510 0.9998 1.7442 1.0072 0.7684 1.5937 0.8460 1.3778 0.5092 1.3863 0.6499 1.2948 1.1335 0.8148 1.0155 1.3412 1.6417 0.8697 1.7026 0.9765 0.5031 0.9022 1.2849 1.1996 0.8826 1.0201 0.2577 0.5518 1.2322 0.3571 0.6164 0.3258 0.3607 0.6456 1.5828 1.1281 2.4911 0.3032 0.4205 0.5331 0.4331 0.7778 0.1425 1.1510 2.7930 0.5613 1.9666 1.0684 0.9083 0.9656 0.3577 0.1425 0.7993 0.3039 0.4514 1.4766 1.0714 0.9214 1.2624 0.4803 0.3538 0.3633 0.5249 0.1425 0.4461 0.1877 1.0721 nisinate (24:6n3) 0.2606 0.2606 2.9707 0.3900 2.3746 1.2100 0.2606 0.2606 0.9191 0.2606 0.2606 1.0011 0.2606 0.2606 0.2606 0.2606 0.3314 0.2606 0.2606 0.2606 0.5129 0.2606 1.9446 1.1506 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.6906 0.7631 0.2606 0.4675 0.2606 0.2606 0.6817 0.2606 1.0757 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.4299 9.8317 0.2606 0.2606 0.2606 0.5454 1.1447 0.2606 0.2606 0.2606 0.3298 0.2606 0.2606 0.2606 0.2606 1.0657 1.3847 0.2606 0.2606 0.2606 0.4960 0.2606 0.6116 3.5683 0.2606 0.2606 0.2606 0.2606 0.8530 0.2606 0.2606 0.2606 0.2606 0.2606 2.7864 0.2606 0.2606 0.2606 0.2606 0.2606 0.6339 0.7592 2.1613 1.0000 0.2606 0.2868 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.2606 0.6543 0.2606 0.2606 1.4670 0.2606 1.0914 0.5859 0.2606 0.2606 2.2879 0.2606 0.2606 2.1446 0.8234 0.2606 0.2606 1.2728 0.7011 2.5871 0.4322 1.1277 0.2606 1.1170 1.4453 0.2606 0.2606 0.7636 0.2606 0.2606 1.5311 nonadecanoate (19:0) 0.7402 1.1660 1.1508 0.7946 1.0706 0.7814 0.9612 0.8237 0.7224 1.4301 1.3601 0.8770 1.0415 1.1738 1.3728 0.9182 0.6447 0.7894 0.7559 1.0358 0.9166 0.8399 0.9808 0.7482 1.3273 0.8545 0.9043 0.9410 0.6538 0.9034 1.0121 0.7204 1.3961 0.8207 0.7588 0.7711 0.8916 0.6749 0.7374 0.8573 0.7561 1.0110 0.7393 0.9209 1.1320 0.8324 1.1959 1.2164 0.7817 0.7226 0.7186 0.6124 0.8527 1.0519 0.9015 1.5418 0.8764 1.1351 1.1153 1.0194 0.9520 0.8693 0.8681 0.9361 1.1884 1.1376 1.2500 1.1680 1.0134 1.2531 1.2414 0.9783 1.0778 1.1856 0.9947 0.6635 1.5174 1.0638 1.8339 0.8227 1.1856 1.1433 1.4538 1.2192 0.9671 0.8826 1.1535 1.3292 1.1106 0.8961 0.8088 0.7780 1.0478 0.8921 0.6093 1.4942 1.4466 1.1292 1.0887 0.8864 0.9661 1.0203 0.6059 0.9201 1.0722 1.1419 1.2645 0.8326 1.1471 0.9192 0.9653 1.0000 1.0045 1.1287 1.2155 0.9728 0.9500 1.0115 0.9990 1.1675 1.2444 1.0954 1.1945 1.0454 0.9059 1.4256 1.1398 1.1417 1.0785 1.2423 1.0663 nonanoylcarnitine (C9) 0.8308 1.8961 1.0304 1.1043 0.3987 1.0852 1.1730 0.9006 0.8030 1.2201 0.8315 0.7536 0.3987 0.3987 0.7289 0.3987 0.3987 0.9464 0.9793 0.5274 0.5235 0.3987 0.3987 0.7470 0.8672 1.0185 8.7519 0.5126 0.6852 0.3987 1.0141 0.3987 0.6797 2.6156 1.0521 0.9615 0.3987 0.3987 0.7013 0.3987 1.0000 0.8275 0.3987 1.3054 1.1735 0.8053 1.0396 0.3987 1.1829 0.8294 4.4345 0.4297 0.3987 0.3987 0.3987 0.6813 0.3987 1.4390 0.7354 0.5143 0.3987 0.9705 0.3987 1.4389 0.5911 0.3987 1.7212 1.1202 0.3987 0.7337 1.6905 1.0405 0.3987 2.9584 0.8302 0.3987 0.3987 0.3987 2.0518 0.7094 0.3987 0.3987 0.8462 1.3889 0.3987 1.2757 2.0268 0.6502 0.6786 0.3987 0.3987 0.9603 0.3987 0.3987 0.3987 1.4817 12.0032 0.5512 1.9366 1.8382 0.3987 1.4531 0.3987 2.8895 0.8016 0.3987 0.3987 0.3987 0.7296 1.7432 0.3987 0.3987 0.3987 1.2540 1.5812 1.0793 0.9528 0.6603 1.1475 0.3987 4.7183 1.8220 1.1083 0.9809 0.7686 0.7327 1.0005 0.8747 2.7630 2.5581 0.6638 norfluoxetine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 O-acetylhomoserine 0.5301 0.1218 0.3704 0.8531 0.2519 0.8093 0.9047 1.0214 0.3841 1.7280 0.5163 1.1780 0.9153 0.2939 0.4696 0.0878 1.1638 2.5280 0.8505 3.0349 2.3699 0.9038 1.8769 4.4324 0.9347 2.7074 1.1453 0.8843 0.8166 2.1717 3.1704 4.0348 4.5398 3.8908 3.9939 4.1336 6.1709 5.3858 3.9024 6.6334 4.1640 3.9874 4.4126 0.1949 4.2287 2.8396 4.0759 0.0878 2.6645 6.0843 0.4594 2.6543 2.7513 0.9981 0.4089 0.7263 1.0928 0.2290 0.9242 0.9867 1.2785 0.2294 0.2863 0.9913 0.0878 2.0146 1.0800 0.1690 0.0878 0.0878 0.8020 0.8741 0.8261 1.6942 2.0573 0.6175 1.5520 1.6965 2.2618 0.9926 1.7199 1.0312 0.8981 0.5074 1.8625 2.5672 1.0019 3.7619 3.3793 0.4331 0.5099 1.1824 2.9509 0.8082 4.8926 0.4038 0.8079 1.1760 1.2363 0.8303 1.3597 0.6124 0.7739 0.8137 2.0620 1.0637 0.0878 45.9561 0.9925 0.7527 1.7597 0.2377 0.0878 0.0878 0.4423 0.8014 1.2198 0.4026 1.1901 0.9963 0.3991 0.0878 0.4223 1.0670 0.4472 0.4768 0.8303 0.0878 0.4212 0.2024 0.8908 o-cresol sulfate 0.4492 0.4492 0.4492 1.9406 1.8366 1.1507 0.8570 0.5051 0.4492 1.7185 0.4492 0.4492 0.4492 0.4492 3.9524 0.4492 0.7169 0.4492 0.4492 0.4492 0.5469 0.4492 0.4492 0.4492 0.4492 0.4492 1.1253 0.4492 0.4492 0.4492 0.4492 1.6120 2.8489 0.4492 0.4492 0.4492 1.7008 0.4492 0.4492 0.4492 2.1591 0.4492 0.4492 0.4492 0.4907 0.4492 0.4492 0.4492 2.3560 0.4492 0.4492 0.4492 0.4492 1.1823 1.3219 1.0939 0.4492 0.4492 1.8939 0.4492 0.5031 1.0620 0.6225 0.4492 2.7102 0.5250 0.9380 0.4640 0.4492 0.4492 0.6540 0.4492 0.4492 0.4492 0.4492 0.6525 0.4492 0.4492 0.4492 0.4492 0.5168 0.4492 1.4090 0.4492 0.4938 0.4492 0.5722 0.4492 4.2988 0.4492 3.1380 0.4492 0.8824 0.4492 0.7667 1.3358 0.4492 0.4492 12.5472 0.4492 0.4492 10.0072 0.4492 0.4492 0.8007 1.1934 0.4492 0.4492 0.5607 0.7492 0.4492 0.4492 0.8225 0.4492 0.4492 2.8066 1.6717 0.4701 0.4492 0.4492 0.4492 0.4492 0.6613 0.7385 0.4492 0.4492 0.4492 0.4492 0.8626 0.4492 0.4492 O-desmethyltramadol glucuronide 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 1.0000 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 0.1736 2.0012 0.1736 0.1736 0.1736 O-desmethylvenlafaxine 0.2336 0.9460 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 1.8550 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 1.0540 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.7917 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 0.2336 4.3895 0.2336 0.2336 0.2336 O-sulfo-L-tyrosine 1.2623 0.8035 1.3911 1.2010 0.7707 1.0462 0.6168 0.6460 0.6599 0.7061 0.8055 0.9720 0.8910 1.1363 1.0947 1.1339 1.1756 0.9216 2.1471 1.0705 1.1103 0.8444 0.9328 0.8434 0.8807 0.7688 1.5816 1.0870 0.7873 0.9293 1.3218 1.3959 1.1306 1.1220 1.1520 0.9702 0.9661 1.0000 1.2890 0.9721 1.1926 1.4053 0.7177 0.7988 1.0353 0.8801 1.1349 1.0949 1.9103 1.1622 1.0944 0.6805 0.7328 0.6892 0.9959 1.0443 1.0444 0.9190 0.9763 0.9537 1.1161 1.6999 1.2758 0.9082 0.8841 0.9062 1.7388 0.7284 0.9225 0.9775 0.7372 0.7727 0.6473 0.6313 0.9119 1.3712 0.6755 1.1058 1.1813 0.8893 0.8746 1.0711 0.8445 1.3835 1.0552 1.1768 1.1314 1.2342 1.2020 1.3577 1.2768 1.1172 0.8678 1.0329 0.8950 0.8645 0.6041 0.9147 0.6828 0.9460 1.1263 1.0044 0.9211 1.1374 0.8568 1.2522 0.8453 1.0336 1.4278 1.1540 0.9816 1.1238 1.4654 1.0146 0.9202 1.4883 2.4600 0.8516 1.1461 1.1681 0.6915 0.8758 0.8356 1.1355 0.9266 1.2261 0.9590 0.7271 1.2189 0.9081 1.3803 octadecadienedioate (C18:2-DC)* 0.6350 1.0792 0.5719 0.7170 1.8211 1.6399 1.4338 1.6900 0.4493 1.0927 0.9295 2.3603 0.6376 1.4619 0.2473 0.6324 0.5497 0.6252 0.5020 0.6175 0.5695 1.3310 0.8816 1.3152 1.1939 0.6916 0.7175 0.7782 0.6120 0.6155 0.3735 1.3608 0.5626 0.5716 1.1071 0.9867 0.6159 0.6633 0.5094 1.4460 1.0599 0.6630 0.7800 1.3492 4.1987 0.7983 1.0097 12.2953 1.9478 0.8657 1.0651 0.3556 0.5278 0.8686 0.3810 1.0016 1.3176 1.4545 1.2291 1.8279 0.5886 0.5716 0.4102 2.0663 1.1228 1.0147 3.7577 1.0000 2.2512 0.8542 1.3343 0.8056 0.6036 0.5948 0.5004 1.7277 1.9808 1.1034 1.2869 0.6553 1.0853 1.7064 3.0348 1.2588 1.6519 1.3928 0.7334 1.7376 1.1053 0.5448 0.8890 2.4279 1.6213 2.2505 1.0556 1.4316 7.2464 0.5793 0.6345 0.5597 1.3100 0.7016 0.3745 1.1903 1.8583 0.8259 3.8392 0.8451 0.5412 0.4789 1.0859 1.4051 2.1519 1.5522 0.7884 6.7602 0.3611 0.3220 1.0974 0.9308 1.9587 0.4096 0.7315 3.6201 1.1927 1.2069 1.1930 0.5342 0.9506 0.4147 0.8190 octadecanedioate (C18-DC) 1.0198 1.5334 1.6266 1.5383 1.7764 3.4024 0.9083 1.1700 0.8565 0.8874 1.2173 0.5374 1.1063 1.5478 0.7740 1.2229 0.9984 1.2359 0.9365 1.3705 0.7849 1.8800 2.4851 1.5814 2.3745 1.7620 1.5310 1.1774 1.5644 0.8252 1.0042 0.4620 1.0172 0.9133 1.8844 0.7581 0.7448 1.3378 0.6933 1.9532 0.6910 1.0761 1.1667 1.8378 1.2660 1.6354 0.8869 10.1379 0.7155 0.9598 1.5272 0.2041 0.6440 1.1132 0.6201 0.8726 0.6166 0.9419 1.1482 0.4786 0.7161 0.7093 0.9006 1.0035 0.5193 1.0414 0.5841 0.9334 0.6129 0.9185 0.8289 0.7894 0.8312 0.7995 0.5897 1.1556 1.4855 1.2191 0.8396 0.3675 0.7280 1.7700 2.7262 0.9742 1.4475 0.6366 1.3569 0.6513 0.4131 0.3206 1.1833 0.6292 1.2031 0.5525 0.3984 1.7144 2.0928 0.9515 1.2560 1.0752 0.6775 0.6240 0.7239 1.5160 1.0058 2.5301 1.7465 0.9551 0.5911 0.7965 0.7601 1.8897 0.7640 1.2332 0.8100 1.1442 0.2923 0.4520 0.6895 1.4297 1.2802 1.3247 0.8877 1.4172 0.5805 2.1579 0.7586 1.0000 1.3397 1.0670 1.1058 octadecanedioylcarnitine (C18-DC)* 0.7129 1.6417 1.2588 1.0000 0.9987 2.5271 1.2059 1.4548 1.0461 1.1518 0.9330 1.7134 0.7413 1.1702 0.6641 1.0660 1.1221 0.9285 1.4412 0.9643 0.8626 1.7428 1.1268 0.6625 1.7434 1.5613 1.5080 1.3086 1.6751 1.0917 0.8451 0.6604 0.6232 0.7103 2.1010 1.0834 0.8934 1.2954 0.9251 1.5500 0.9282 0.9111 1.7069 1.5398 2.0482 1.1526 0.8708 18.6456 1.6114 1.2567 1.2072 0.4041 0.4148 1.0411 0.7698 0.5317 0.5527 1.0620 1.1999 0.6312 0.4293 0.3564 0.7390 1.0291 0.7634 1.0323 0.5275 0.9051 0.4219 0.4549 0.7693 0.7644 1.0088 0.5238 0.3713 1.2063 0.8203 0.8411 0.5691 0.4543 0.5363 1.4787 2.0103 0.8054 1.1316 2.0274 1.2100 0.6473 0.2940 0.7273 0.6215 1.3331 1.2368 0.3128 0.8617 1.0745 1.4704 0.6753 1.3588 0.8555 0.7342 0.9283 0.5694 1.5070 0.7640 1.7534 1.8480 0.7593 0.6890 0.8286 0.7352 1.4825 0.6259 1.5575 1.4411 1.0742 0.5378 0.2521 0.6971 1.0503 1.4764 1.1452 1.2274 1.3972 0.6254 1.1983 0.7042 0.6120 1.2545 1.1839 1.3609 octadecenedioate (C18:1-DC)* 0.8362 1.6034 1.0454 0.8831 1.6942 1.0292 0.7116 1.2703 0.5132 1.5396 1.5513 2.5918 0.9168 1.2778 0.4606 0.9028 0.6990 1.1547 0.7790 1.1394 0.5127 1.7928 1.7749 1.6411 2.0764 1.2164 1.2370 1.1525 0.8847 0.7903 0.7245 0.6294 1.2288 0.7843 1.8169 0.8241 0.5991 0.7820 0.4648 1.4864 0.8263 1.0789 1.0617 1.4628 2.4137 1.4339 1.4480 8.8480 1.0000 1.3008 0.8814 0.4386 1.7500 1.2459 0.5673 0.9423 0.7142 0.9268 1.0466 2.4045 0.4648 0.4775 0.7158 1.8901 0.8092 0.9813 1.0124 1.2805 0.7463 0.8819 0.9425 0.9064 0.9656 1.1611 0.4402 1.5916 2.4235 1.3994 0.8293 0.5569 1.0551 1.7437 3.3417 1.2570 2.4381 2.8136 0.8651 1.3331 0.5146 0.4546 0.9235 2.6290 1.9534 0.9421 1.8330 1.8304 2.5846 0.8973 0.8276 0.8232 0.9916 1.1034 0.6626 1.5958 0.8375 1.3726 1.7767 0.8924 0.5438 0.7635 0.7923 1.4252 0.8253 1.3583 0.6719 2.0410 0.5495 0.4945 0.9383 1.5269 2.0068 0.7913 0.8745 1.8511 0.5530 1.9765 0.8188 0.9860 1.3005 0.8357 1.1878 octadecenedioylcarnitine (C18:1-DC)* 1.0034 1.7822 1.2820 0.6628 0.5734 1.3046 0.9744 1.1404 0.6065 0.7362 1.4894 1.9997 0.8154 1.4629 0.4638 1.1037 0.9366 1.3908 1.3660 1.0471 0.5768 1.8379 1.2776 0.6404 2.0504 1.1561 1.4620 1.3304 1.1761 1.2079 0.8416 0.4989 0.6405 0.7773 2.1441 0.9828 0.6909 0.8150 0.6793 1.3811 0.6501 1.0374 1.6852 1.6061 2.6409 1.4646 0.7298 16.1123 1.3029 1.7671 0.9203 0.2360 1.0136 1.3720 0.5129 0.5538 0.4113 1.0653 1.0768 1.4245 0.2991 0.2160 0.8168 1.3812 0.5168 0.9804 0.5930 0.9685 0.4373 0.3872 0.7456 0.8012 1.3731 0.5502 0.2654 1.1248 1.5714 0.9272 0.5473 0.3691 0.7500 1.3185 2.3857 0.9643 1.4667 2.4623 0.9966 0.7183 0.3415 0.4993 0.5392 1.6790 1.3200 0.6875 0.6267 2.0386 1.2513 0.7923 1.5004 0.9723 1.0999 1.1432 0.5445 2.1714 0.6497 1.1239 2.0003 1.0639 0.7104 0.7391 0.8044 1.5358 0.7096 1.4715 1.1496 1.3645 0.4414 0.4007 0.8217 0.9090 1.3329 0.8784 1.4774 1.7536 0.5360 1.7513 0.8327 0.2160 1.7940 1.2371 1.0471 octanoylcarnitine (C8) 1.2576 2.1447 0.9845 1.2140 0.9974 1.1305 1.2877 0.8573 1.0145 1.2205 0.8834 0.6906 0.9907 0.5097 0.5956 1.2090 0.5505 1.3393 1.0492 0.7101 0.7145 1.1666 0.9221 0.7589 0.7195 1.2502 7.9215 0.4592 0.8906 0.7728 1.2399 0.7952 0.8741 4.1526 1.6028 1.1107 1.2983 1.3033 0.9530 1.9883 0.9674 0.9649 0.9567 1.3582 1.2198 1.1065 0.7919 0.6038 1.1719 0.9441 6.9751 0.4641 0.6341 0.7896 0.5831 1.2834 0.4290 1.5967 1.0000 0.8462 0.5497 1.2557 1.4509 1.7194 0.5228 0.8684 1.5160 1.2902 0.3760 0.7615 2.9349 1.3977 1.0305 2.8727 0.9098 0.6695 0.2885 0.7944 2.3642 0.5305 0.8079 0.6800 1.5562 1.2600 0.9601 1.0121 2.5236 0.8098 0.9905 0.9197 1.0980 1.1568 0.7829 1.0957 0.2553 1.6347 14.5814 0.7723 2.2100 2.0842 0.4992 1.3841 1.3083 4.0837 0.6200 1.4504 0.9856 1.0347 0.8179 1.8857 1.1477 0.9794 0.9229 1.3550 1.7542 1.4719 0.9960 0.7722 1.3922 0.5068 4.3096 1.9983 1.2026 0.9286 0.9967 0.8626 0.8050 1.2926 3.6145 2.4544 0.5561 oleamide 0.5737 24.9487 0.8505 0.5456 0.9933 0.6877 65.0075 0.7743 0.7393 55.0614 1.0889 0.8688 60.5441 1.1110 0.9388 52.4178 0.8844 0.6259 43.6884 12.9967 0.9501 1.0098 27.1697 21.2778 4.3544 0.8643 0.6667 0.3021 0.9578 2.5502 0.8616 14.7538 0.7396 0.5652 0.9408 0.9637 1.0059 46.9807 111.7646 0.8277 1.1879 2.7613 1.8161 46.5299 1.1992 0.6302 0.8359 45.9815 0.5016 13.0534 0.7349 27.8250 0.7018 19.8699 0.6664 0.8433 0.6312 1.3456 0.3123 1.5637 13.0308 25.4874 13.9648 82.4927 0.8285 1.1069 1.3685 69.8119 0.5420 27.4392 1.0101 0.6735 0.7381 1.2944 2.0721 0.5800 27.5881 0.6102 1.2927 1.4731 9.7453 0.9234 1.7407 1.0630 19.2376 9.8175 10.5750 0.7865 0.8944 0.7233 1.0000 0.6986 0.7765 1.4039 0.9527 1.3016 0.9112 20.3882 0.8335 0.7625 0.9000 80.6752 0.3337 1.0827 5.0303 0.9780 0.9192 0.7058 1.3245 0.7613 61.9901 0.9393 0.8444 27.3846 0.7716 1.3117 0.2907 17.6874 0.8513 1.3188 0.7978 0.7831 1.2114 0.7626 8.6314 0.9974 1.2469 9.0049 0.9138 0.6324 0.5638 oleate/vaccenate (18:1) 1.0442 1.8621 1.2879 0.6889 0.9879 0.8684 0.9802 0.5765 0.8158 1.3135 1.7595 0.7783 1.6546 1.5757 1.1954 1.2237 0.2013 0.9199 0.7500 1.3740 0.7962 1.3282 1.2791 0.8770 1.5857 1.1783 0.8274 1.0622 0.7469 1.1177 1.0139 0.5716 1.1108 1.0319 0.9904 0.7496 0.7198 0.4108 0.7954 1.0000 0.3363 1.3758 0.8231 0.9749 0.7546 1.0175 0.7415 0.9719 0.4696 1.0764 0.6666 0.4064 0.6890 0.8705 0.4068 1.1854 0.5182 0.8746 1.0855 1.1780 0.8239 0.9374 0.8823 0.6592 1.2438 0.8439 0.8213 0.8818 0.4832 1.2565 1.0888 1.0070 1.0843 1.0055 0.9390 0.3207 1.5173 0.9230 1.3125 0.5961 1.0919 1.1061 1.1122 0.8952 0.7566 0.5825 0.8124 0.8818 0.8107 0.4253 0.5621 0.4592 0.7180 0.5165 0.0818 1.5460 1.4882 1.0661 1.2411 0.9976 1.2897 0.4813 0.8110 1.0768 1.0030 1.0836 1.4519 1.2904 1.0904 1.1021 1.3172 1.2005 0.9357 1.1838 1.0253 1.2059 0.9261 1.0278 0.9182 1.1845 1.0025 1.0723 0.8717 1.1426 1.0115 1.6011 1.2556 1.3359 1.6434 1.2005 1.1283 oleoyl ethanolamide 1.3750 2.6007 1.3526 0.7074 1.2388 0.9834 1.2599 0.6594 0.8599 1.4194 2.1840 1.1573 0.9085 1.6054 1.3562 1.2615 0.6965 1.5257 0.8487 1.6584 0.9177 1.2564 1.4270 0.6685 2.1300 1.1764 0.7722 0.7741 0.7721 0.8212 1.0176 0.6809 0.9143 1.1159 1.1272 1.0603 0.9264 0.8724 0.7041 0.7087 0.7412 1.8937 1.0172 1.1227 0.7135 0.9663 0.8706 0.9186 0.5259 1.2393 0.9719 0.6481 0.5772 0.7675 0.7914 1.1725 0.8414 0.6743 0.5800 1.0797 0.6096 1.0965 0.4539 0.7568 1.1240 0.9498 0.8043 0.7432 0.3028 1.6787 1.1727 0.8636 1.0046 0.7797 0.8524 0.6760 2.0632 1.0000 1.3161 0.6744 1.0288 1.3444 0.9153 0.9494 0.7405 0.6435 1.2076 1.0285 1.0658 0.6276 0.6336 0.5348 0.7150 0.9218 0.1976 1.8702 1.9593 1.0174 1.4140 0.9730 1.1366 0.5595 0.5219 0.9959 1.0381 0.9105 1.2381 1.4937 1.4330 1.0264 1.1006 1.3078 1.1615 0.9950 0.9493 1.4292 0.5426 1.1663 0.8677 1.3825 1.1480 0.9594 1.0419 1.1742 1.0510 1.8088 1.3826 1.1814 2.3056 1.1086 1.1732 oleoylcarnitine (C18:1) 1.2907 2.0794 1.1812 1.0927 1.4085 0.9741 1.2808 0.8879 0.7068 1.1669 1.8066 0.8760 1.1077 1.0451 0.7864 1.4352 0.5847 1.9195 1.0784 1.1614 0.6620 1.2525 0.9880 0.6201 1.4161 1.3912 1.1727 0.9037 0.9213 1.2915 1.0332 0.9540 0.8901 1.1083 1.5375 1.2326 0.8944 1.2470 0.8600 0.9519 0.6594 1.3395 1.3144 1.3734 0.7553 1.0000 0.9290 0.5618 0.6150 1.2043 1.2076 0.8625 0.4204 1.4127 0.7417 1.2666 0.5662 1.3525 0.9192 0.9957 0.6752 0.7683 0.9782 1.3341 0.9451 0.7482 0.9042 0.9428 0.5828 0.7179 0.8857 0.9279 1.1049 0.7249 0.7373 1.2845 0.8802 0.7713 1.3131 0.8505 1.0186 1.1675 1.2723 1.0063 0.8092 1.0398 1.3642 1.1348 0.7180 0.9455 0.7969 0.7556 0.7903 0.7727 0.2635 1.3815 1.6781 0.7692 1.3323 1.4735 1.3651 1.2861 0.8254 1.1523 1.1015 1.1731 1.3465 0.9782 1.5540 0.9976 1.1521 1.2195 1.2497 0.8881 0.9656 0.9217 0.7266 1.0392 0.9898 0.6468 0.7373 0.9160 1.0455 1.0258 0.8510 1.6960 1.2097 1.4756 1.6094 1.2736 0.5825 oleoylcholine 0.3492 3.0634 0.8081 0.3728 1.4244 0.0443 0.0683 0.0443 1.2284 0.0795 0.2811 0.8456 0.6264 0.4670 1.4924 1.0000 0.0443 0.5680 0.0615 0.1939 0.1600 0.8163 0.2761 0.2122 0.4210 1.4011 2.1794 0.2593 0.9269 2.7813 0.4344 1.3420 0.2035 1.9008 0.3609 0.5542 6.0185 0.8658 0.5381 0.0443 0.2706 0.6154 1.2069 0.5237 0.9692 0.2641 1.8515 0.0653 0.0443 1.0842 0.7213 0.6714 0.4176 0.9856 6.0023 4.8207 3.0137 1.5875 1.4571 1.4696 0.9689 1.4111 0.6856 1.1611 2.5586 3.6885 4.7601 1.3678 2.2351 1.3212 0.7703 0.0479 1.6827 0.7560 1.5810 1.7430 1.1898 2.0805 4.2005 7.1930 3.9392 1.8968 2.7359 5.0454 1.6285 2.2511 4.3662 5.9558 2.4045 8.2477 6.7610 0.7272 6.0728 1.1605 1.7603 1.7896 0.0745 0.2624 1.2188 2.7393 0.2899 1.7544 0.6578 1.2202 1.9579 0.1165 1.6969 0.3593 0.7063 0.4310 0.6415 0.3473 3.1253 0.0590 1.4273 1.2998 0.2233 0.0725 0.9528 0.8148 2.1018 0.5066 0.6529 0.8050 1.4955 0.9365 0.7551 3.6540 1.8820 0.5195 2.4125 omeprazole 0.0234 0.0234 0.0234 0.0234 0.0234 1.3267 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 2.6139 0.0234 0.0234 0.0234 0.0234 0.0234 0.9172 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 1.1479 0.0234 0.0234 0.0234 0.0234 0.0234 0.0425 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0326 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 1.0828 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 11.3719 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.0234 0.7984 0.0234 0.0234 0.0234 ornithine 1.2901 0.8714 0.5558 1.1658 1.4262 0.7107 1.0488 1.0000 0.8682 1.4569 1.2678 0.9577 0.7237 0.8497 0.9830 0.9159 1.2634 1.1828 0.7356 1.2075 1.1045 0.8329 0.8917 0.5681 0.9069 1.3266 1.2544 0.7305 1.0062 1.1592 0.6302 0.6594 0.4576 1.0547 1.1555 0.5976 1.1767 0.9357 0.9551 0.9079 1.5960 0.8324 1.0506 1.0736 1.3205 1.1024 1.6948 0.8744 1.3603 0.8712 1.3685 1.2491 0.4702 1.0476 0.8392 0.9757 1.2628 1.0849 1.1008 0.6587 1.2352 1.2585 1.0158 0.9282 0.9644 0.8167 0.9280 0.6916 1.0461 0.7704 1.1262 1.1296 0.5528 1.0150 0.7886 1.2104 0.6601 0.8452 0.9215 1.4126 1.0975 1.1292 0.9301 1.0684 1.0656 0.6712 0.9946 0.8768 0.6266 1.0799 1.2049 0.4550 0.8885 1.0783 1.2211 1.1568 0.7692 0.9523 1.0198 1.0983 0.6917 1.5258 1.4178 0.8182 1.0298 1.3481 0.8753 1.1334 0.9505 1.1598 0.8219 0.5662 1.3592 1.0518 0.4513 0.8924 0.9251 1.1045 1.1897 0.7550 0.6649 0.3726 1.1541 1.1335 0.8843 0.9786 0.5007 1.0952 1.3320 0.9346 1.2053 orotate 0.9843 1.1655 0.7865 1.8972 1.3062 0.7322 0.8324 2.2841 1.1128 0.6711 1.3757 1.3700 1.2205 1.4797 0.8319 1.1627 1.6290 1.9051 0.9789 1.6916 0.7324 0.7174 1.4229 0.6954 1.2110 1.2196 1.5000 1.4645 0.9559 1.1623 0.8020 0.8889 0.7590 0.8984 1.8702 1.9479 1.1291 1.8269 1.0910 0.8477 1.1973 1.0261 0.7408 1.1766 1.3380 1.2582 0.9573 1.0503 0.7872 1.3936 1.7101 0.8466 0.7508 1.0023 0.8544 1.0295 0.8289 1.2770 0.6157 0.7147 0.8882 0.6721 0.7458 0.8754 0.6851 1.2535 1.4792 0.9646 0.9667 0.7955 0.9029 0.6729 1.0781 1.0049 0.5886 1.2551 1.0345 1.0635 0.8700 0.9290 0.8034 1.1218 1.2202 1.1339 1.0307 1.4720 0.7316 1.1669 1.0417 1.2908 0.6900 1.0000 0.8408 0.9669 1.0400 0.7589 0.5925 0.6649 1.1883 1.9213 0.8292 0.8925 0.6930 1.1446 0.8675 3.2898 1.2553 1.0082 0.5651 0.8092 0.6305 1.0205 0.8479 0.6999 0.9893 1.3684 0.7186 1.0749 0.7516 1.1697 0.7669 0.6834 1.2290 3.3370 0.4850 1.3917 0.9045 0.8482 1.3265 0.8996 0.8503 orotidine 1.3126 1.1886 1.1390 1.4456 1.3315 1.2641 0.9555 10.7711 1.0607 1.0780 1.2977 1.6176 0.8424 2.2070 1.2502 2.8858 1.6802 1.1558 2.2420 2.0022 1.4782 1.1554 1.3637 1.5950 1.1683 1.3181 1.4703 1.0936 0.7218 1.2538 1.4513 1.4928 1.1863 0.6951 2.4094 1.4127 0.9951 0.7260 1.7365 0.7277 1.1489 1.2168 1.0170 1.2277 2.4195 0.9715 0.4714 10.3620 3.4177 1.6534 2.2774 0.8441 0.4138 0.8813 0.5763 0.7442 0.5808 0.6928 0.6869 0.7380 1.4940 0.8216 0.7725 0.8615 0.4850 0.6614 1.0000 0.6996 0.5663 0.6021 0.6215 0.9245 0.7313 0.5556 0.3748 0.9523 0.7367 0.7551 0.6964 0.7101 0.6102 0.6853 0.6255 0.4972 0.6678 1.0400 0.7807 0.8121 0.7556 0.7989 0.8226 0.6026 0.9818 0.4901 0.8005 0.5634 0.7276 1.3099 0.9610 1.4722 2.3254 1.1063 0.8897 0.8726 1.0220 16.9559 0.8211 1.4469 1.2317 1.6140 1.0369 2.0661 1.1701 0.8999 0.8434 1.5402 1.9331 1.3248 0.8960 0.8336 0.7535 1.3045 1.0588 10.3215 0.7350 1.5623 0.8991 0.9923 1.3312 0.9816 1.4076 oxalate (ethanedioate) 0.8017 0.6661 0.8632 0.8717 1.8600 0.2633 0.6802 0.2633 1.0890 0.8031 0.8742 0.9843 1.4140 0.5758 1.5168 0.8797 0.8610 1.0023 0.6022 0.4322 1.4248 1.4285 1.0351 0.3304 0.6797 0.9389 0.6550 1.2247 1.3317 1.2223 0.9903 0.9379 0.4735 1.1367 0.9980 1.4509 1.0266 0.8106 0.9767 0.4020 0.4209 0.8252 1.0455 1.1102 0.9387 1.2846 1.2266 0.4923 0.3280 1.0337 0.5206 1.0886 0.7296 1.0251 1.2067 1.5850 1.0383 1.3136 1.1083 1.3729 0.9908 0.9763 1.1740 1.1921 0.7844 1.1548 1.2867 0.7561 0.9778 1.3932 0.9309 0.8439 0.7637 0.8706 0.9976 0.9551 1.0380 0.8896 1.4719 1.1082 1.4466 1.1998 1.2584 1.1472 1.0020 1.3756 0.6524 1.1969 1.2992 1.0891 1.6798 0.9598 0.9718 1.0253 0.9682 0.8770 0.5987 1.4754 1.0459 1.1671 0.9713 0.5824 0.6320 0.8977 1.2640 0.8159 1.0525 0.7945 1.8956 0.7622 1.2495 1.0072 1.0687 0.8929 0.8916 1.4473 0.5186 0.9057 1.3861 1.4680 1.0747 0.8235 1.0881 0.9788 1.4069 1.0499 0.9454 1.2041 1.0205 0.9795 1.0194 oxypurinol 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.9977 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 1.7450 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 1.0023 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 0.7701 p-cresol glucuronide* 1.0000 1.3124 0.5926 0.8512 2.1058 1.5855 5.2084 1.6916 1.9168 6.9228 0.4181 1.4931 2.6364 0.5474 2.6638 1.8769 0.1606 1.6489 1.4691 0.0619 5.2178 0.2362 0.3463 2.6092 0.3162 1.5828 5.1776 0.5461 0.0619 0.3338 2.1167 6.1514 0.7375 0.5585 1.2346 0.7055 4.2019 0.3254 0.3191 2.2172 0.0619 5.4282 1.6605 0.1341 4.4197 0.7874 4.2969 0.6799 7.2244 0.2165 1.3881 5.9460 0.4951 0.9192 1.1601 0.2261 4.2102 0.1125 4.5575 4.4679 0.8286 1.8567 3.3914 0.3004 1.4363 0.4518 0.4191 2.1095 0.1884 0.7946 2.1189 1.2597 0.7748 0.4320 0.3081 1.3628 0.6381 0.5621 0.8248 0.3938 1.1354 1.0562 0.3777 0.4727 4.7957 0.0779 6.5741 4.4941 0.1395 3.6706 4.3932 0.7659 1.1893 0.6533 1.1347 7.0164 0.2587 3.1967 0.5603 0.0619 1.0940 3.3546 0.4461 0.5410 2.6395 0.0619 1.3822 5.4761 0.1867 0.6182 0.0619 0.5946 0.5296 0.0619 0.5090 0.1515 0.7843 0.5221 1.3640 1.7806 0.2839 0.2652 1.3461 0.1199 0.6998 1.0668 0.7482 8.5701 0.9465 2.9474 0.1114 p-cresol sulfate 0.5821 1.0000 0.5343 0.6739 1.2868 1.3240 1.3022 1.1528 1.7389 2.1980 1.0750 1.4556 1.7837 0.5675 1.5212 1.5547 0.3801 1.3411 2.1062 0.1246 2.4279 0.5552 0.6383 1.1324 0.4930 0.6267 2.5378 0.6168 0.0300 0.2898 0.9019 2.9606 0.5181 0.7269 1.1641 0.7762 2.4814 0.5877 0.4012 1.5920 0.3830 1.7063 1.1380 0.6183 2.0910 1.2621 1.0605 0.8219 4.5087 0.2539 1.0740 2.4531 0.6394 0.8306 1.4727 0.5458 2.2117 0.3575 1.8643 1.4289 1.4159 1.3233 1.1889 0.6383 1.6914 1.1873 0.8760 1.4521 0.3531 0.7919 1.3541 1.0218 0.7469 0.9873 0.4185 1.4179 0.4335 0.5915 1.1113 0.5187 1.1834 1.1344 0.8154 1.0671 2.2325 0.2729 2.6174 1.5191 0.4395 1.9298 2.6858 0.8367 1.5843 1.1210 1.6643 3.0193 0.6988 1.3558 0.3891 0.0381 1.1167 1.3647 0.5143 0.6243 1.1644 0.1142 0.9401 1.6872 0.3457 1.0875 0.0827 0.6168 0.8287 0.0274 0.7839 0.4507 1.1117 1.2307 0.7589 0.9046 0.5200 0.4929 1.2064 0.3709 0.6709 0.6833 0.7651 2.2938 0.5958 1.7101 0.2174 palmitate (16:0) 1.0416 1.6693 1.4198 0.7926 1.1275 0.9683 0.8890 0.6553 0.9912 1.2223 1.6730 0.8556 1.4909 1.6444 1.2773 1.1996 0.3660 0.9029 0.7171 1.3678 0.9536 1.4357 1.2959 1.1298 1.7076 1.0000 0.8927 1.0446 0.8433 1.1132 1.1079 0.6571 1.3812 1.0455 1.0123 0.8353 0.8942 0.5444 0.9827 1.0614 0.6252 1.3226 0.9198 1.0307 0.9247 1.1196 0.8053 1.1423 0.5578 0.9697 0.8273 0.5373 0.7759 0.8134 0.4479 1.0244 0.6461 0.8400 1.0357 0.7754 0.9325 0.9198 0.8157 0.7644 1.1690 0.9705 0.9176 0.8748 0.6098 1.2843 1.0853 0.9653 0.9940 0.9956 0.8704 0.4126 1.4388 0.8829 1.1884 0.5872 1.0652 1.0681 1.1591 1.0104 0.8362 0.6565 0.8974 0.8689 0.8175 0.6114 0.7451 0.5384 0.7593 0.4987 0.2870 1.4744 1.4924 1.0053 1.2505 0.9700 1.1360 0.6625 0.7807 1.0472 1.0650 0.9901 1.4690 1.2228 1.0568 1.1835 1.3779 1.1647 0.8360 1.2405 1.0910 1.0435 1.0043 1.1416 0.9459 1.4197 1.0895 1.2653 0.9057 1.1790 0.9597 1.4358 1.2646 1.3134 1.5390 1.1419 1.2417 palmitoleate (16:1n7) 1.6808 3.0102 2.9319 0.5347 0.5964 1.5191 1.1862 0.2569 0.9721 1.7192 4.6787 0.7186 3.0644 2.7682 1.8718 1.6992 0.0871 1.1679 0.4991 2.6725 0.7081 2.0318 3.0032 0.5270 1.7031 1.3799 0.5917 1.1515 0.7440 0.9802 1.0730 0.4985 1.7029 1.1378 1.3566 0.7984 0.9075 0.2544 0.7202 0.9720 0.2199 1.9071 0.6549 0.8504 0.7622 0.7855 0.7088 0.9985 0.2134 2.1572 0.4339 0.2508 0.8496 0.6051 0.3290 0.9446 0.4218 0.8303 1.1148 0.6377 0.5611 2.0579 0.8608 0.2851 1.8927 0.9318 0.4777 0.5930 0.2496 2.5477 1.6528 1.2691 0.8298 1.1851 0.7500 0.1707 1.8769 1.0760 1.5073 0.9829 1.6673 1.0164 1.1394 0.7707 0.4635 0.2695 0.4039 0.6673 0.9066 0.2432 0.4837 0.2884 0.4150 0.2338 0.0398 1.6246 0.8596 0.8313 1.2046 1.0665 1.2318 0.2689 1.0414 1.2057 1.0995 0.4553 1.1933 1.9034 1.1466 1.7030 1.8168 1.1749 0.9741 1.1960 1.0628 1.9549 1.3497 1.1116 1.0000 1.3235 0.7220 1.6285 0.7400 1.4511 1.3605 1.3095 2.3744 1.6704 3.8683 1.3406 1.3182 palmitoleoylcarnitine (C16:1)* 1.3973 2.2771 1.6928 0.7788 1.0783 1.1120 1.2009 0.5674 0.8625 1.1309 2.4078 0.7638 1.3203 1.3452 0.7270 1.4286 0.4220 1.8656 0.9054 0.9367 0.6648 1.3416 1.1394 0.5087 1.5013 1.2293 1.6280 0.8070 0.9945 1.2965 0.7981 0.7908 0.8662 1.8811 1.6411 1.3353 1.3380 0.8838 0.8628 0.9802 0.6099 1.2733 1.3480 1.4393 0.7535 0.7605 0.7676 0.5260 0.4721 1.5191 2.1712 0.6533 0.5600 1.0111 0.4432 0.8523 0.4876 1.0876 1.0363 0.6063 0.6495 0.9616 0.8818 1.3086 0.8017 0.6897 0.5516 0.8956 0.3219 0.7447 1.1482 0.9552 1.1812 1.2490 0.7498 0.7483 0.6532 0.6563 1.0532 0.6637 1.0454 0.9654 1.0420 1.0000 0.5807 0.7436 1.3750 0.9522 0.7374 0.6335 0.6583 0.6506 0.5935 0.5530 0.1610 1.5867 2.2469 0.6697 1.4910 1.4161 1.0270 0.8765 0.9948 1.5245 0.9459 1.2312 1.3932 1.1624 1.3494 1.5022 1.3207 1.2008 1.2517 1.1258 1.2399 1.2385 0.8580 0.9902 1.0928 0.8092 0.9444 1.5519 1.0726 1.0257 1.0670 1.8202 1.2709 1.9337 2.5168 1.5836 0.5685 palmitoloelycholine 0.2871 1.9239 0.9773 0.2871 0.7047 0.2871 0.2871 0.2871 1.3294 0.2871 0.2871 0.4498 0.2871 0.2871 1.0281 0.6066 0.2871 0.2871 0.2871 0.2871 0.2871 0.6765 0.2871 0.2871 0.2871 0.7740 0.7256 0.2871 0.7436 1.2383 0.2871 0.9576 0.2871 1.2560 0.2871 0.2871 4.5637 0.3276 0.2871 0.2871 0.2871 0.4574 0.5056 0.2871 0.2871 0.2871 1.0191 0.2871 0.2871 1.3825 0.3026 0.2871 0.2890 0.2871 2.8467 2.2610 1.4960 0.7345 1.0000 0.2871 0.6457 1.1890 0.2871 0.2871 1.1668 1.9375 2.6713 0.2871 0.7644 1.2787 0.2871 0.2871 0.2871 0.2871 1.2580 0.5395 0.3456 0.9934 2.3151 5.8614 3.1725 0.8485 0.9291 3.7955 0.6426 0.8827 2.1362 4.5186 1.5262 4.3912 4.7405 0.3277 2.5863 0.2871 0.8489 1.3397 0.2871 0.2871 0.7262 1.7705 0.2871 0.7534 0.2871 0.9319 1.2724 0.2871 0.8805 0.2871 0.2871 0.3808 0.2871 0.2871 2.0927 0.2871 0.5140 1.0798 0.2871 0.2871 0.4372 1.1966 0.5995 0.3490 0.2871 0.2871 1.2082 0.2871 0.7210 2.7281 1.2929 0.2871 2.0597 palmitoyl ethanolamide 1.6499 6.8362 7.1711 1.9196 1.3572 1.8605 2.1637 10.6368 4.6333 12.2264 5.1611 5.4044 5.3574 5.0944 4.3452 5.4383 2.8447 0.6364 0.3960 0.8715 0.6009 0.6428 12.4484 0.4580 3.7226 8.9082 0.5190 0.9561 19.8116 13.0827 0.6805 0.5426 0.7684 0.5348 0.6451 0.7038 0.5776 0.5525 0.5234 0.4451 0.6041 1.0000 0.5754 0.7676 0.6893 15.3264 1.6063 0.7318 1.6320 0.5308 0.5161 5.2346 2.0442 12.6122 3.5420 20.9433 8.3468 2.3344 6.2236 5.4558 0.9379 1.3794 0.4281 0.4462 11.4265 0.6163 0.7094 0.4755 0.2656 0.9731 0.7805 0.3960 0.5937 3.8702 0.4998 0.4633 0.9571 0.5128 0.8185 0.7602 0.6249 4.2800 0.6981 0.5945 2.2871 0.5549 6.3440 0.7699 0.5870 0.4547 0.4235 0.4938 0.8464 0.4544 0.6208 8.3154 2.1139 2.1503 6.7438 15.0402 1.0155 0.5978 0.3635 0.9954 1.0663 0.4927 0.8137 1.0480 1.6480 1.1621 0.6555 6.9045 9.1152 1.4982 1.4408 2.3522 0.7766 0.9564 0.8330 1.2965 1.0892 9.3387 17.6110 0.8987 1.7591 1.1554 2.3026 1.1101 1.1981 1.4163 0.8101 palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) 1.0431 2.0830 0.6510 0.8174 1.4304 0.8975 0.6916 0.8552 0.9372 0.6286 0.7168 0.8238 0.6734 0.9940 0.4643 1.3331 1.0074 0.9445 1.1035 1.1094 1.3261 1.5008 0.9980 0.4643 1.9764 0.9152 0.4643 0.8576 1.2380 0.9831 0.4643 0.9487 0.9646 1.1728 0.7884 0.9453 1.0870 1.1100 0.8847 0.9283 0.8835 0.8239 1.0499 1.1876 1.0563 0.9203 1.2006 0.5828 1.4461 1.4349 1.3356 1.0995 0.4643 0.6715 1.5727 1.1638 1.1758 1.3794 1.0162 1.3867 0.8051 1.2171 1.2050 0.8337 1.4072 1.4103 1.2323 1.0209 0.5436 0.8728 1.1614 1.1118 0.4643 1.3927 0.9357 1.3600 0.7249 0.9732 1.6775 1.2214 0.9527 1.0411 0.4643 1.4018 1.5016 1.2650 2.0539 1.6338 1.0988 1.3052 0.9709 0.9062 0.4643 1.3588 0.9890 1.1281 0.4643 0.7695 1.1577 0.9305 0.8527 1.0240 0.7171 1.2557 0.4643 0.8846 0.9802 0.7948 1.2163 0.7877 0.9293 0.8976 1.0552 0.7216 0.8975 1.0020 1.2585 0.6365 0.5720 0.9472 1.2963 0.7438 0.9816 0.8254 0.9154 1.0655 0.8336 0.9754 1.0071 1.1353 0.7178 palmitoylcarnitine (C16) 0.9967 1.7705 1.4763 1.0659 1.2696 1.1597 1.2052 0.7740 1.0110 0.9939 1.3018 0.9116 0.9734 1.0530 0.8899 1.2952 0.8783 1.1759 0.9192 1.1126 0.8338 1.4071 1.0046 0.7589 1.4843 1.1201 1.0828 0.8566 1.0827 1.2494 1.0142 1.1023 1.3501 1.0700 1.2671 1.2721 0.9706 1.2858 1.0000 0.8570 0.9637 1.1296 1.2781 1.4061 0.9361 1.0295 0.8041 0.5659 0.6811 0.9942 1.2207 0.9665 0.5455 0.9207 0.7118 1.0082 0.6398 1.0392 0.9652 0.4120 0.9542 0.8586 0.8436 1.4675 0.7993 1.0459 1.0821 0.8559 0.7048 0.6593 0.7171 0.7450 0.9697 0.7282 0.6683 1.1193 0.7488 0.7643 1.0423 0.7382 0.8704 0.9744 1.1041 1.0057 0.8904 0.8688 1.5076 0.9985 0.6108 0.9725 0.7801 0.6337 0.9327 0.5366 0.3794 1.1528 1.3963 0.7501 1.2112 1.2538 1.0269 1.6203 0.7728 1.2284 1.1270 0.9589 1.2825 0.9575 1.5576 1.1107 1.2599 1.0864 1.0659 0.9879 0.9353 0.7482 1.0344 1.0705 0.9407 0.8896 0.8728 1.4108 1.0909 1.0808 0.8077 1.2033 1.2019 1.6653 1.2343 1.1826 0.7405 palmitoylcholine 0.3185 3.9656 0.8125 0.3356 1.1785 0.0370 0.0782 0.0383 1.3862 0.0864 0.2602 0.8439 0.6320 0.4709 1.4474 1.1333 0.0792 0.5491 0.0707 0.2369 0.1802 1.1589 0.3735 0.1961 0.5070 1.0210 2.2345 0.3077 0.9466 2.2303 0.3471 1.3965 0.1622 2.0983 0.3545 0.6784 6.6177 0.9818 0.5451 0.0370 0.2544 0.6015 1.3367 0.6741 0.9057 0.2277 1.8403 0.1142 0.0370 1.2061 0.8425 0.6113 0.4265 0.9195 5.7791 4.1976 2.3663 1.1825 1.6481 1.0000 0.8134 1.1966 0.7558 1.2327 2.0563 3.4928 5.0338 1.1769 2.1793 1.2054 0.7172 0.0442 1.6857 0.7041 1.5829 1.4518 1.0876 2.1585 3.4013 6.2017 3.1222 1.9300 2.4820 4.4337 1.3234 1.8624 4.8921 5.8268 2.0558 6.5886 6.2759 0.7662 5.5079 1.0370 1.9348 1.7830 0.0977 0.2346 1.2030 2.2166 0.2742 1.4008 0.5540 1.1103 1.7171 0.1253 1.9833 0.4053 0.6837 0.4812 0.7220 0.3218 2.3574 0.0886 1.7972 1.1768 0.2380 0.0865 0.9531 0.8980 2.3853 0.5049 0.7333 0.9266 1.4131 0.8847 0.8075 3.0896 1.7705 0.5216 2.8083 pantoate 0.8641 0.4886 2.2958 1.1498 0.8531 2.0076 0.9362 0.5121 1.0392 1.3617 0.8909 1.1730 1.3291 0.3848 1.2044 2.6456 4.0999 0.7764 4.7981 0.8723 1.2904 1.8207 0.3848 0.8709 0.6921 0.5868 1.6110 0.6174 0.5283 0.7488 0.3848 2.1935 3.0818 0.5505 1.2576 1.0938 0.5450 0.5933 0.9006 1.1221 1.5769 1.4146 1.2117 0.7567 1.6139 0.8766 0.5571 0.7915 15.0683 0.8798 0.8559 1.0123 0.4340 0.8253 1.7545 1.0313 0.7669 0.3848 1.9884 1.0614 0.7089 0.8107 0.6489 0.4243 0.4462 0.8136 1.7714 1.0888 7.2974 0.3848 1.1244 0.5876 1.0501 1.4001 0.6307 0.7996 0.3848 0.4284 0.7058 0.6939 0.9909 0.8399 13.5974 1.2289 0.9814 0.5186 0.5935 0.6928 0.9624 0.7452 0.9704 0.6807 0.7604 0.6801 1.0523 1.9929 0.3848 0.7785 0.8130 0.9603 1.2114 1.2114 1.0683 1.0545 0.8853 1.3761 0.3848 1.5823 2.7666 1.2125 1.2871 8.8643 0.8340 3.2495 0.3848 1.0920 1.5070 1.1477 2.5486 0.8070 0.5152 0.3848 1.7957 1.0863 0.3848 1.0394 0.4973 1.2833 1.7172 1.0000 1.5357 pantoprazole 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 pantothenate 1.3748 0.7024 2.3938 1.1225 1.2789 1.7733 0.5144 0.3778 1.1038 2.9297 2.3144 1.0018 1.2058 0.6566 1.3102 2.2230 0.8387 0.6852 1.3917 0.7711 1.3180 2.3015 1.1069 0.5221 0.9944 1.3346 1.5113 1.1996 0.6251 1.3638 1.5082 1.9637 4.2876 1.2334 2.2166 1.6337 1.0397 0.4676 1.2205 0.8288 0.4482 2.0237 2.3950 1.3991 2.2556 0.9497 0.8258 0.5706 2.4725 1.2260 0.9595 1.0547 0.5265 0.9290 2.1425 0.6911 0.5506 0.4489 1.7936 1.1816 0.4682 0.5083 0.6407 0.5994 0.4104 0.7619 0.8257 0.4924 0.9611 0.9157 0.6147 0.4840 1.2629 0.5314 1.5316 0.5459 1.9158 0.4037 0.6812 0.3655 0.4842 1.2393 2.2513 0.8942 0.4809 0.6370 0.7160 0.5113 0.6255 0.4589 1.9545 0.5289 0.5251 0.8394 0.4174 2.7831 0.6404 1.1486 0.5136 1.1790 1.5324 1.5064 0.6924 0.7843 1.6464 0.6194 0.6836 1.1501 2.6273 0.8994 2.0018 1.2734 0.7008 1.0129 0.4671 0.5488 1.9756 1.1427 2.7381 1.0000 0.4794 0.7227 1.3002 1.2733 0.8849 1.1286 0.8272 2.2148 1.7046 1.8522 1.1812 paraxanthine 0.8354 0.6898 0.2129 0.1645 0.2595 0.9393 2.1683 3.7806 3.2003 1.2089 2.9098 1.3771 0.0816 1.6914 0.2267 0.1791 0.1055 0.4672 0.2537 1.8822 0.3897 0.2268 0.7430 0.8070 0.1393 0.1771 0.2495 0.1289 0.2932 0.0816 0.5417 2.2084 1.1364 0.7095 0.0816 0.6948 2.3561 0.0816 0.5417 0.0816 1.0852 0.5484 0.0995 0.0816 1.4746 0.2471 0.9988 0.0816 2.0802 0.8216 2.0525 2.9511 1.1231 0.7868 2.8549 2.6071 1.1750 0.2463 0.4289 0.0816 1.0012 1.5498 1.4001 0.0816 1.9159 0.7706 0.1801 0.0816 0.2098 1.4700 1.7622 0.2595 0.0816 0.7368 0.6639 2.0235 4.8204 2.3041 3.1277 0.5514 3.8604 2.9002 6.2005 1.1482 1.2500 0.0816 1.4022 0.0816 4.2876 0.1968 0.9083 3.3203 0.1358 0.9519 1.0491 6.2673 0.0816 0.3031 0.8105 0.0816 5.0288 2.6779 0.3300 2.0108 2.9386 0.8806 1.2716 0.0816 1.0234 1.3514 1.3431 0.0816 4.0590 0.3609 1.3859 4.8872 0.8503 0.8944 0.3537 1.7616 0.2757 1.0333 0.0963 1.9179 0.0816 0.5278 1.0034 0.0816 3.4606 0.0816 0.2775 paroxetine 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 1.3782 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 0.6218 pelargonate (9:0) 1.6980 0.9638 0.9141 1.0639 3.4688 1.1878 0.8860 1.0922 0.9012 1.3778 0.8941 0.8197 0.9497 1.2226 0.8356 0.9944 1.1185 1.6874 1.1055 0.9932 2.1046 1.0368 1.5266 1.0587 1.9659 0.9425 1.0793 0.7489 1.1860 1.0615 1.2238 1.0226 1.3858 2.0125 0.8462 0.8039 0.9673 0.6797 0.9038 1.0646 0.9520 1.1564 0.8673 0.7592 1.7563 0.7615 1.1691 0.8703 1.0094 1.0715 1.1166 0.7779 0.9289 1.0520 0.6454 1.0814 1.1964 0.8831 0.8921 0.9723 1.0288 1.0361 0.7554 0.7893 1.6658 1.1160 0.8973 1.0528 0.8502 1.2377 1.1009 1.6416 0.9408 1.2524 1.0803 0.7562 0.9771 0.7173 0.9348 0.9037 1.2866 1.1085 1.2447 1.0428 0.8716 0.9923 0.9686 0.9793 1.0979 0.9293 1.1559 1.3213 1.1191 1.0742 0.6286 1.2374 1.1428 0.7504 0.8217 0.9669 1.0000 1.1182 0.9163 0.9486 0.8583 0.9851 0.9258 1.1495 1.0436 1.8845 0.9498 0.9237 1.0318 0.9119 0.6615 1.2733 0.7126 0.8240 1.6117 0.9831 0.9279 1.7063 0.9624 1.1993 0.7726 1.2912 0.9001 0.8961 1.0456 0.9832 1.7351 pentadecanoate (15:0) 0.8378 1.4229 1.3653 0.7474 0.8838 0.9588 1.0125 0.5675 0.9015 1.1807 1.9214 0.7495 1.7251 1.7364 1.6105 1.2909 0.5043 0.8195 0.6958 1.2528 0.8973 1.1277 1.2199 0.8509 1.7008 0.9738 0.9830 1.0462 0.7539 0.9356 1.0165 0.6542 1.4276 0.7521 0.8287 0.8376 0.9074 0.5055 0.7673 0.9026 0.6201 1.3189 0.7363 1.0000 0.9959 0.8532 1.1043 0.9229 0.5901 0.9301 0.6040 0.5282 1.0459 0.7549 0.5854 1.0462 0.7447 1.0173 1.2097 0.5593 1.0519 0.7957 1.0303 0.6840 1.3400 1.0067 0.9960 1.0236 0.7797 1.3527 1.0365 1.0870 0.9555 1.2749 0.8619 0.5074 1.3575 0.9494 1.8325 0.6493 1.0715 1.1335 1.3068 1.1183 0.9393 0.6693 0.7159 0.9469 0.8918 0.6676 0.6316 0.6574 0.6893 0.5924 0.3721 1.8218 1.2694 1.0596 1.2843 1.0847 0.8608 0.6823 0.8630 1.1164 1.2329 0.8692 1.1827 1.2963 1.0892 1.1623 1.1709 0.8406 0.8636 1.1176 1.0436 1.0721 0.9420 1.1422 0.9863 1.2636 1.4134 1.1908 1.0607 1.1102 1.1345 1.3693 1.1137 1.1257 1.7357 1.5395 1.1042 pentose acid* 1.1317 0.1042 0.1042 0.4972 0.8656 2.8006 0.3597 1.6227 0.6918 3.0215 0.7426 2.9558 0.5597 0.3436 0.4538 0.1042 5.1311 0.2374 0.7079 3.1193 6.8840 0.2626 0.2075 0.3677 0.1042 0.2914 0.9880 0.4012 1.2680 1.4351 1.1178 1.2304 0.4975 0.5392 0.6581 1.2880 0.7694 0.8784 0.3309 0.2158 0.9597 0.3551 0.3867 0.3119 7.2968 0.3029 0.5886 0.3437 2.3799 0.3533 0.4455 0.7386 0.6061 1.4049 0.8660 1.4296 3.1952 0.5812 0.5571 2.7416 1.9592 5.9047 1.1272 1.0176 1.0548 0.6166 3.1419 0.6073 1.6165 1.8893 2.6184 0.9653 0.4673 7.9627 0.2330 1.6064 0.6022 0.6986 1.2233 1.5920 6.2165 0.4705 1.4439 0.6837 2.6686 1.2327 0.6662 0.7634 1.9371 1.9520 1.3907 1.6118 1.8890 1.1656 1.1933 1.2904 0.9605 0.5993 0.4827 2.1963 1.3418 1.1463 1.4712 1.4498 1.8583 1.4389 1.2352 1.9967 1.9411 3.1345 0.7616 0.4167 1.3359 0.7483 0.5911 4.0052 1.8730 1.0343 1.1572 0.3982 0.7220 0.6012 0.8384 3.6287 0.6482 1.0120 0.9822 0.6967 1.2830 0.3774 1.2395 perfluorooctanesulfonate (PFOS) 0.9475 0.3991 1.3153 1.6478 1.1652 0.5806 2.7187 2.1987 0.9063 0.3576 0.6307 0.1698 2.2910 0.9281 1.2784 0.3882 0.4299 1.1581 0.7705 0.1524 1.4788 0.5761 0.2056 0.7970 2.1188 0.8998 1.2996 0.5726 0.8118 0.3382 0.2515 0.8005 0.3281 0.2179 0.8384 0.8691 0.5772 1.2398 0.5195 1.9553 0.2729 0.4367 3.3664 1.0090 0.4792 0.9507 1.6585 0.2695 0.4158 0.4394 0.7852 1.2146 0.7492 1.0000 0.3692 0.4050 0.9477 0.3329 2.1448 0.0394 0.8200 1.2907 1.2209 1.5026 0.3708 1.3036 1.3172 0.5385 1.4204 1.1468 0.3544 0.6497 0.3746 1.0742 0.1799 0.7657 2.4475 0.3713 2.0666 0.1976 0.7757 0.9872 1.1537 0.6095 0.2690 0.3734 2.8519 2.9489 0.7302 1.1093 2.1077 0.5996 1.8505 0.9866 0.4181 0.9067 2.6025 0.4341 1.7707 2.2889 1.4918 1.5836 1.6544 0.5807 3.5930 1.2053 2.0540 2.4916 1.1829 1.8836 1.1562 1.8221 1.4626 1.9324 2.4303 2.2842 1.0883 1.4055 0.9192 2.4154 1.8014 1.4543 1.1741 2.1078 2.1588 1.3637 1.3000 1.3691 3.9002 1.4396 0.5980 perfluorooctanoate (PFOA) 1.1086 1.1773 2.7288 1.3388 0.7327 0.8281 0.7784 1.5662 0.5823 0.5732 0.8620 0.1739 2.6600 1.0245 1.7077 0.6078 0.9862 0.8652 0.5380 0.2775 1.3661 0.6225 0.7749 0.6301 0.7788 0.7229 0.5743 0.3573 0.8989 0.4301 0.5374 0.8440 0.6259 0.2802 1.0867 0.9546 1.1940 0.8966 1.0393 0.9144 0.7541 0.5836 0.5585 0.8567 0.8020 0.6268 1.4554 0.4913 0.5443 0.6299 1.0000 0.5586 0.6641 0.8331 1.2249 0.3892 1.3893 0.3318 0.9853 2.3437 1.0388 0.5997 1.1183 3.9278 0.7507 0.7108 1.2679 0.9469 1.3286 1.4947 0.3917 0.9408 0.2567 2.2273 0.6300 1.2046 1.7160 0.7164 1.0931 0.3322 0.9631 1.0747 1.1476 0.4921 0.3193 0.7340 0.7463 1.3105 1.4552 1.5851 1.9781 0.8014 1.1495 0.7521 0.2128 1.0782 1.9667 0.4820 3.3490 3.2559 2.0459 1.3538 1.5502 0.8788 2.7599 1.5971 2.2023 2.2055 1.9277 2.3171 1.0736 1.9364 1.9991 1.3377 1.6408 2.8705 1.3499 1.3957 1.0785 1.6802 0.8876 1.0672 1.1085 8.1374 1.6033 1.8480 0.7758 1.3238 1.3637 1.2817 1.2148 phenol sulfate 2.9639 0.7806 0.3094 1.1275 1.6476 3.9721 0.1801 0.9716 1.0000 2.5976 0.4975 0.6813 1.2545 1.9696 2.0109 0.6475 0.6097 0.5136 4.1659 0.4492 0.9452 2.0290 1.0131 1.1101 1.4417 0.7420 1.4230 0.2635 0.2764 3.7645 3.5704 0.9466 6.4094 0.3625 0.8035 0.7383 0.4981 0.5838 7.9095 0.4983 2.4358 1.0976 1.5463 0.6731 6.0927 1.0033 1.3225 0.7068 3.7710 3.4265 1.3523 0.3191 0.8193 3.0010 0.7551 0.8190 0.8173 0.5324 0.3665 0.9768 0.9772 1.0948 0.7677 1.7972 0.4892 0.7386 1.7984 0.6172 1.1258 0.8536 0.3767 0.5482 0.5426 0.5645 0.3325 1.6022 0.6200 0.7514 3.3005 0.6739 1.5139 0.5150 0.6993 0.4834 0.7520 0.8922 2.0226 1.6644 1.1245 1.6050 1.0452 1.5978 1.3020 1.3587 1.1706 1.0589 2.1561 2.7766 1.4120 2.3424 1.2672 0.7028 0.5724 0.9138 1.0298 5.7586 0.6696 1.0975 3.8098 1.5804 1.2924 0.6263 0.9036 0.8616 2.7044 0.7704 0.6572 0.8908 1.0602 1.6053 1.8251 0.4240 1.5472 1.1844 0.7842 1.8841 0.8085 0.3381 1.9674 1.0963 0.9597 phenylacetylglutamate 0.9893 0.3247 0.6081 0.7862 0.5893 2.0570 1.0839 0.2867 1.2235 3.0364 0.4029 1.5891 1.2764 0.6436 1.4287 2.0405 0.2867 0.8698 1.8090 0.2867 3.0106 1.1287 0.6409 1.3905 0.2867 0.5044 2.0460 0.2867 0.2867 0.2867 1.3611 2.9982 0.3943 0.2867 1.1378 0.2867 1.1229 0.2867 1.9124 0.9708 0.2867 5.7453 1.3253 0.2867 2.0018 0.6323 0.9509 0.2867 5.1019 0.8684 1.5899 1.6948 0.2867 1.2153 0.6062 0.4645 1.0609 0.5778 1.5416 0.5817 0.9946 0.8032 0.7184 0.2867 0.4737 0.8767 0.5144 0.6458 0.2867 0.6573 1.0856 0.6628 0.2867 1.1412 0.2867 0.2867 0.5524 0.2867 0.7246 0.2867 0.8949 0.6168 0.2867 0.2867 1.2466 0.2867 1.6531 1.4645 0.2867 1.8020 1.2165 0.5526 0.5125 0.2867 1.0278 2.2611 0.7715 1.8733 0.5772 0.3723 0.6587 1.1341 2.1369 0.2867 0.8605 0.2867 1.0048 2.6448 0.4531 0.8394 0.5049 0.2867 1.0000 0.2867 0.8269 0.2867 1.1006 0.8983 1.0151 1.5448 0.2867 0.4708 1.1164 0.2867 0.2867 0.4339 0.4126 1.3668 1.1191 1.7374 0.2867 phenylacetylglutamine 1.0213 0.7696 0.8529 0.9329 1.3490 2.0298 2.1180 1.1517 1.4436 3.1755 0.5971 1.3943 1.8246 0.7215 2.0559 1.9076 0.6770 1.0787 2.3361 0.2122 1.9835 0.7909 0.6725 1.9508 0.3540 0.7831 2.1102 0.3722 0.4560 0.6256 1.5403 2.5829 0.8498 0.7421 1.1872 0.7237 1.7660 0.4468 2.3651 1.3559 0.4295 3.0102 0.9900 0.2860 2.1001 1.1526 1.4312 0.5866 4.1635 0.6952 1.5723 2.7109 0.6684 1.4870 0.8276 0.8596 1.3642 0.4245 1.6762 1.2399 0.9883 1.0253 1.1114 0.4775 0.9377 0.7737 0.6607 1.0942 0.2146 0.7810 1.0406 0.7896 0.6561 1.3628 0.2349 0.9218 0.6133 0.6946 1.0715 0.3786 1.0165 0.7294 0.4863 0.6894 1.9570 0.1987 2.4042 1.5860 0.6418 2.1860 1.9200 0.8445 1.1934 0.8003 1.0508 2.9599 1.0000 2.3835 0.8967 0.2680 1.4417 1.7906 1.1315 0.4888 1.2205 0.6860 1.2648 1.9884 0.5893 1.1164 0.3986 0.5941 1.1812 0.0856 1.1972 0.2867 1.7917 1.1720 0.9458 1.4601 0.7708 1.0538 1.5721 0.3225 0.6606 0.5783 0.5066 2.5907 0.9624 1.5485 0.2635 phenylalanine 0.7588 1.0090 1.0937 1.1182 1.2933 0.9453 1.0327 1.0534 0.7973 0.9328 1.0336 1.1885 1.0980 0.9213 1.0190 1.0026 1.2918 1.0857 1.1269 1.0718 1.0540 1.0685 0.9468 0.8219 1.0685 1.0437 1.1388 0.9432 1.0934 0.9625 1.0123 0.9633 0.7999 0.9202 1.1064 0.9830 0.9656 1.0228 1.0145 0.9352 1.3961 1.0188 1.0605 1.2632 1.1017 1.0686 1.0769 0.7594 1.1945 1.0452 0.9065 1.1303 0.7690 0.7223 1.0109 0.9101 0.9955 0.6463 0.8034 0.7442 0.9135 0.9592 0.9479 1.0173 0.9692 0.9376 0.8871 0.8911 0.8342 0.8092 0.9139 0.8192 0.7547 0.9854 0.9338 1.0892 0.8897 1.0151 0.8509 0.7946 0.8458 1.0561 0.8976 0.9274 0.9937 0.8949 0.9290 1.0832 0.9102 0.8464 0.9001 0.9027 0.9414 0.9847 1.0811 0.9946 0.9662 0.9844 1.0913 1.1331 1.0671 1.1288 1.0658 0.9883 1.0916 0.9059 1.0158 1.2023 1.0920 1.1002 1.0516 1.1232 1.0044 1.0061 0.9703 1.1082 1.1008 1.2306 1.0037 1.0205 0.9683 0.8958 0.9877 1.0388 1.0315 1.0000 1.1199 0.9043 1.1527 0.9789 0.9772 phenylalanylphenylalanine 0.7042 1.6455 0.6018 0.6018 320.4649 0.8088 1.0769 1.1555 0.6018 1.8281 0.6018 1.5865 0.6018 0.6727 1.1572 0.8173 1.4803 0.9727 0.6018 1.1828 0.6018 1.5090 0.7349 0.8554 0.9676 0.6477 0.6018 0.7146 0.6018 0.6018 1.2238 0.8400 0.6018 1.1423 0.6018 1.5425 0.7746 0.6018 0.7075 0.6018 0.6018 0.7481 1.0229 0.9885 0.6018 0.7035 0.6018 0.7771 0.9722 0.7314 0.6018 0.8219 0.6018 0.6018 0.6018 1.1383 0.6018 1.0630 0.6018 0.6018 0.8075 0.7455 1.2230 1.0698 0.6018 0.8519 1.3120 0.9232 0.6018 0.6900 0.6018 0.6209 0.6018 0.7751 0.8930 1.1172 0.6370 0.6018 1.0287 0.9653 0.6018 0.6018 0.6018 0.6018 1.2317 1.1590 0.9811 1.4653 1.0247 1.0158 0.6018 1.0945 1.2815 1.1247 0.6018 0.6018 0.6018 0.6018 0.6018 1.2060 0.6018 1.1302 0.6018 0.8454 1.1664 0.6018 0.6018 0.6565 1.1819 0.7973 1.3099 0.9530 1.2809 1.3857 0.6018 0.6018 0.8126 0.6018 1.1153 0.8219 1.3781 0.9943 0.6018 0.6018 0.8527 0.6018 0.6018 1.0000 0.6018 1.2594 1.5409 phenylalanyltryptophan 1.1995 1.7724 1.2803 1.0255 3.2460 1.6212 0.9064 0.3509 1.3060 2.7738 1.5229 1.4517 1.0717 2.5622 0.4494 0.1506 0.9298 0.6421 0.1506 1.3101 0.9503 1.4412 2.0880 1.7715 1.1227 0.2733 1.0862 1.0379 0.7350 0.1506 1.2931 0.2031 3.0143 0.8833 0.2298 0.9335 0.7422 0.6199 1.0632 0.1506 0.1506 0.5862 0.3129 0.1728 1.2693 0.1506 0.3328 0.3595 0.1506 0.9367 1.5842 0.4980 0.7375 1.0380 0.8163 0.7912 0.8014 0.9973 1.2900 1.1016 1.1336 1.1816 1.0685 0.7715 0.8671 0.8424 1.1415 0.9196 0.7442 1.5955 0.8236 0.9064 1.6390 0.8287 0.6255 0.8968 1.0364 0.8664 0.8299 0.6893 1.3054 1.1816 1.2484 1.0287 1.1699 0.9409 1.0253 1.1344 1.2974 0.7277 1.0399 1.1430 0.7719 0.8541 0.7742 0.4216 0.4582 1.4174 0.1683 0.6923 0.9681 0.1506 0.2623 1.0000 0.7000 0.1506 1.1464 0.8421 0.1506 0.1506 1.4369 1.2975 1.4453 1.4747 0.1761 0.1506 0.1506 0.2557 1.3363 1.7697 0.8828 1.3667 1.0625 0.1506 0.8145 0.1506 1.2070 0.2751 1.9839 1.2098 1.5322 phenyllactate (PLA) 0.5681 0.9893 1.1135 1.4376 1.0247 0.9979 1.3252 1.9486 1.2888 1.7582 0.8015 1.1562 0.8048 0.7995 1.1051 1.1343 1.3661 1.0007 1.3745 0.9611 1.1928 1.0988 0.5514 1.5025 0.8629 0.7210 1.0190 0.6936 0.8263 0.8343 0.7254 0.8573 0.9474 0.8849 1.0774 0.8684 0.7428 1.2715 1.3573 0.4749 2.1186 1.1739 0.7632 1.8231 3.1172 0.8434 0.9505 0.9174 1.8609 0.7719 0.9181 1.0033 0.7982 0.6344 1.0712 0.6868 0.9903 0.6370 0.5443 0.5380 0.7743 1.2137 0.8397 1.1620 0.8683 0.5980 1.1808 1.0000 1.0795 0.6959 0.8406 0.7006 0.4980 1.7561 0.6616 1.3964 1.3959 1.1404 1.1500 0.7304 0.7310 1.2730 1.2984 0.7384 0.9338 1.0991 1.1121 1.3626 1.2765 0.6656 0.6492 0.8979 1.1498 1.0458 1.2208 0.7942 0.8344 0.6756 1.3242 0.9611 1.2194 1.1374 1.4873 1.1177 0.9373 0.8303 1.1630 1.1369 1.7642 1.3350 1.2187 1.2766 1.1566 1.3752 1.0517 1.3232 1.6383 2.0258 0.4855 1.4658 0.9351 0.8057 1.0076 1.2047 0.8062 0.9697 0.8792 0.7130 0.8322 0.6999 0.8406 phenylpyruvate 0.4314 1.0531 1.2278 1.2478 1.2684 1.2907 0.8586 1.1817 1.9304 0.8453 0.7296 1.1923 0.7718 0.7103 1.0918 0.8040 1.7363 0.7935 1.7382 0.9042 1.2063 1.2413 0.8331 1.0934 0.8198 0.4885 0.9799 0.9910 0.9805 1.1473 0.9306 0.8841 1.1184 0.9348 1.0104 1.3326 1.3056 1.0357 0.9435 0.9437 1.5020 0.9112 0.7150 1.4469 0.9795 0.9575 0.9691 0.8887 1.0562 0.7775 0.7692 1.7436 0.4424 0.8891 1.3791 0.8301 1.0090 0.8152 0.6238 0.8835 0.8446 0.4314 0.7306 1.0389 0.8886 1.0742 1.3594 0.9440 0.9726 0.6979 0.8466 0.7017 0.6636 1.3505 1.0701 1.2593 0.4314 1.4050 1.1138 0.7510 0.6806 0.9160 0.7177 0.9715 0.4314 1.1727 0.7611 1.3287 1.7273 0.7730 0.8305 1.0529 1.1518 1.3473 1.2796 1.0875 1.0122 0.9401 1.2426 1.2000 0.8874 1.8716 1.7728 1.0679 1.3690 0.5029 1.3398 0.9095 1.7292 1.2345 0.9774 1.4056 1.2249 1.5365 1.3022 1.0918 2.3675 1.3380 0.4896 1.2154 1.0131 0.5853 0.9715 1.3707 0.9829 0.6251 1.3621 0.6984 0.9425 0.8580 1.3559 phosphate 0.7768 0.9390 1.1318 0.9577 0.0217 1.2519 0.7715 0.8830 1.1598 1.0844 1.0314 0.8057 1.1932 0.9438 1.1380 0.8996 0.5906 0.9559 0.9778 0.9145 1.2285 0.9783 0.8350 1.1726 0.9284 1.0534 0.8891 1.1260 1.0038 1.1484 1.0715 0.8384 1.3275 0.8617 1.5036 1.1178 1.0539 0.7045 0.9360 0.9226 0.9015 1.0714 0.9050 0.9540 1.1146 1.0806 1.0590 1.1672 1.1374 0.9898 0.9216 1.0487 0.9008 0.9611 1.3560 1.4340 1.0208 0.7820 1.1625 0.9709 1.1696 1.0185 1.1747 0.9786 1.0726 0.6935 1.0049 0.9638 0.9754 0.9472 0.9274 0.9178 0.9628 1.1124 0.9758 0.9797 0.6525 1.0973 0.9435 0.8581 0.8628 0.9538 1.0929 0.6893 1.0506 1.2201 1.1249 1.1436 1.1307 1.3247 1.1195 1.0758 0.9452 1.0258 0.9423 1.0144 1.1865 1.2383 0.8993 1.1161 0.9571 1.1296 1.0000 0.9771 1.0414 0.6203 0.8566 0.8757 1.2433 1.0947 0.8274 0.6561 1.0925 0.9580 1.0127 1.0449 0.8568 1.2947 1.1402 1.0069 1.1400 0.8479 0.9058 0.8307 1.0657 0.7925 0.9756 1.1136 0.9568 1.0835 1.0604 phosphoethanolamine 1.1592 1.2319 1.5004 0.7568 0.2335 0.4632 0.7184 1.0735 0.7670 0.5500 1.1293 1.2102 0.8520 0.9281 1.3568 0.9972 0.7271 1.4214 0.6180 1.4072 1.5386 1.6192 2.3596 0.9453 1.9107 0.7780 0.9772 1.5480 1.0321 1.6072 1.0601 0.8183 1.0993 1.5839 1.1710 0.8490 1.2179 1.4055 1.2451 0.6239 1.8062 1.2966 1.2374 1.7532 1.0496 1.3247 1.2496 1.3447 1.0028 1.8493 1.0382 1.3467 1.0164 0.5781 1.3101 1.1309 0.9676 0.7688 0.9754 0.5827 0.9412 0.6555 1.1100 0.8002 0.9451 0.9058 0.9454 1.0270 0.8306 0.9892 0.9046 0.8247 0.6725 1.4437 0.8515 1.3565 1.2039 0.7053 1.1981 1.4302 1.1491 0.9103 1.5131 1.1343 0.4326 0.9491 1.3171 1.3823 1.0828 1.2289 0.3327 0.5220 1.1616 0.2335 0.7996 0.7224 0.6485 0.7363 1.8882 1.2158 0.5790 0.9263 0.7258 0.6484 0.7926 0.9168 0.3893 1.5658 2.6191 0.5161 1.8337 0.5368 1.4282 1.2681 0.4749 0.2923 1.0991 0.7174 0.6848 1.9313 1.1734 0.7334 1.2261 0.6486 0.3975 0.8848 0.6395 0.3661 0.5652 0.6642 1.1901 phytanate 0.2690 0.2913 0.5531 0.6785 0.9311 0.4679 1.2065 0.6658 0.6050 1.3541 0.6393 0.6237 0.5508 1.2442 1.0226 0.6169 1.9256 0.4161 0.7888 2.7410 1.3731 0.2758 1.8556 0.8810 0.6031 1.1830 0.8505 0.5487 0.4422 0.2671 1.9002 1.0018 1.3923 0.4531 0.5635 0.9798 0.5932 1.6209 0.6688 0.3360 1.6180 0.7988 0.5381 0.6823 1.6982 0.1875 1.1403 1.3623 0.4017 0.4458 0.6547 0.7026 1.2925 1.0663 0.8162 1.4249 1.9351 1.6410 1.0310 0.4704 2.3670 1.2363 3.7625 1.2833 0.9173 2.0807 1.8454 2.4983 2.6256 1.9164 0.9995 0.6116 0.9672 1.1792 1.4983 0.9141 1.7430 1.5531 2.0722 0.5339 1.8706 1.6812 2.5201 1.8001 1.3196 1.9783 2.6657 1.5611 1.4760 0.8816 1.5674 0.7910 1.6525 1.8799 0.6861 1.6116 0.9534 1.4503 0.8301 0.8140 0.5642 1.1686 0.4635 0.7409 1.0537 1.0648 1.5957 0.8211 0.8174 0.9850 0.8552 0.8932 1.5324 1.7724 1.0921 1.0537 0.4637 1.0525 0.7500 1.0000 1.1874 1.5978 0.7761 1.0130 0.9885 0.7987 0.9332 0.8526 1.3586 1.4159 0.6126 picolinate 0.1128 0.6894 0.8206 0.1128 0.1128 0.1128 2.1917 1.4005 0.1128 0.9325 1.1307 0.6267 0.5354 0.4528 2.1851 0.9251 3.5317 2.2881 0.1128 0.3331 0.1128 0.6656 0.6718 0.1128 2.3639 0.3932 0.9687 1.1412 1.2361 0.8160 0.5321 0.1372 0.1128 0.4104 0.1128 1.8321 0.1128 1.0858 0.2735 1.2842 0.6863 0.1128 0.1128 2.6713 1.1369 1.7139 0.1128 1.7983 1.2857 0.6507 0.1128 1.1396 0.9545 0.7088 1.5406 0.6228 0.1128 0.1128 0.5517 0.1128 0.3967 0.1128 1.5909 1.0774 0.7463 0.4071 0.6624 1.0093 0.1128 1.1711 0.7574 0.6545 1.1935 1.0326 0.5679 2.0520 1.1027 0.1128 1.0028 1.2188 0.8181 1.1050 0.9881 0.5483 0.6603 0.1128 2.0017 0.9238 1.0142 0.7164 0.8178 0.1128 1.0343 1.2301 2.3549 0.9543 2.1463 1.0197 1.2039 0.7085 0.7863 2.8094 0.1128 0.7463 1.5317 1.1735 1.3455 0.9657 2.1724 0.7485 0.3890 0.8153 0.9675 1.2121 1.0927 0.3907 1.6334 1.2754 0.7839 1.3560 0.7517 0.1128 1.0000 2.8067 1.3956 1.1404 0.7857 0.5695 1.7773 0.9123 1.0375 picolinoylglycine 0.4206 0.4859 1.0077 2.3311 0.9831 0.8795 1.4942 2.0056 0.4884 0.8801 1.3775 0.9404 1.0153 0.4206 1.0050 2.2009 4.4409 1.3008 1.9322 0.7780 0.9474 0.9808 0.9950 0.7275 0.6220 0.9943 1.7552 0.8146 0.7894 1.3219 1.0748 1.1352 0.6394 0.7904 1.3824 1.8984 0.9209 1.9364 1.4446 0.8340 1.9432 1.3801 0.7357 1.6438 1.3642 1.2937 1.1219 0.8240 2.4893 1.1426 0.8574 1.8347 0.5109 0.4206 1.2002 0.8596 1.0559 0.4206 0.5849 0.4206 0.5810 0.8641 2.6611 0.6987 0.5213 0.4206 0.6989 0.4941 0.4206 0.6825 0.4592 0.4206 1.0290 0.4206 0.4206 1.5340 0.5495 0.6954 0.4439 1.8750 0.6185 0.8466 0.5437 0.8593 0.5410 0.4206 0.4397 1.0235 0.8071 0.8222 0.7127 0.5383 0.7592 0.4206 2.6848 0.8828 0.9722 0.7484 1.0462 1.7995 0.6018 2.9970 1.0581 0.7990 1.9020 1.1757 1.1241 1.2661 2.6024 1.3767 0.9254 0.8702 1.2883 1.8349 1.4192 0.9661 1.8916 1.8048 1.1306 1.7760 1.0333 0.9002 1.1390 1.9971 1.0682 1.1511 1.4763 0.8804 0.8626 1.0347 0.9700 pimelate (C7-DC) 0.3091 0.8899 1.0000 0.3091 9.3822 1.0428 0.6551 4.5585 0.9049 0.3091 1.3762 2.2113 0.3091 0.3091 0.3091 1.0166 2.4013 0.3091 0.3091 0.3091 1.7230 0.3091 0.3091 2.8721 0.3091 0.6008 1.6773 0.3091 0.6566 0.3091 1.0161 0.6408 0.3091 0.3091 0.3091 0.7209 0.3091 0.3091 0.9933 0.3091 0.7596 0.3091 0.3091 0.3091 4.8789 0.3091 1.4127 1.8373 3.3269 0.8365 2.4933 0.3091 0.3091 0.3091 0.3091 0.5566 0.3091 0.7064 0.7705 0.3091 0.9560 0.6300 0.3091 0.3091 0.3091 1.1116 1.3261 0.3091 0.3091 0.3091 1.2412 0.4526 0.3091 0.3091 0.3091 0.9707 0.3091 0.3091 0.3091 0.3091 1.9463 0.7679 1.0047 0.3091 0.3091 0.9078 0.9909 1.4475 0.3091 0.9576 1.1426 0.8633 0.8144 0.3091 3.6062 1.2812 0.3091 0.3091 0.3091 0.3091 0.3091 2.7959 0.3091 0.8762 0.3091 0.7653 0.9619 0.3091 0.8678 1.4376 1.1639 0.8047 1.3392 0.3091 1.1635 2.6289 1.0296 0.3091 0.6895 0.9097 0.3091 0.3091 1.6740 0.9116 0.3091 1.8257 0.3091 0.3091 0.9219 0.8762 0.3091 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 0.6710 1.8213 0.9594 0.3402 0.3402 0.7052 0.5875 1.4422 0.3402 0.3402 0.3402 1.5618 0.3402 0.3402 0.3402 1.3366 0.9677 0.4873 1.3646 0.3402 0.3402 0.3402 0.3402 0.3402 0.8463 0.9900 2.7119 0.6046 0.3402 0.3402 1.8838 0.3402 0.3402 0.8596 0.3402 1.3805 1.0903 1.2754 0.4706 0.8445 0.3402 0.3402 0.3402 0.3402 1.0491 0.3402 0.7082 0.5945 1.5485 0.3402 1.0214 0.3402 0.3402 1.4734 1.0767 0.4516 0.9135 1.6691 3.3028 0.3402 2.0732 1.0725 1.2851 0.8313 1.0838 0.5986 1.6974 0.6225 0.4801 0.8168 1.1808 1.1628 0.3402 1.1486 0.5972 0.6074 0.7928 1.3549 3.5437 1.0000 1.0474 0.8435 5.3503 1.1000 1.0432 0.3402 1.6212 1.0892 0.9617 1.5378 0.9166 0.9458 0.6877 0.3402 1.5868 1.0971 0.5137 0.3402 1.0198 1.1290 0.5946 0.7195 0.6816 0.9376 0.3402 0.3402 1.2172 0.8955 0.3402 0.8932 0.5736 0.3402 1.5301 0.8026 1.8243 1.7159 1.0306 0.3402 0.8298 0.5692 0.5951 0.3402 0.9482 0.7969 0.7638 1.0406 0.3402 0.3402 1.3305 1.0316 0.6159 pioglitazone 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 pipecolate 0.4564 0.5520 1.0768 1.1539 0.8838 0.5620 0.8839 1.3618 4.9787 1.3589 1.1981 0.9758 0.9104 0.6605 1.2171 0.6926 1.2847 1.2548 1.0613 0.5732 1.1030 1.3279 2.5497 2.3196 0.5994 0.8145 0.7721 0.6285 0.9008 0.9823 0.7902 0.6078 1.5287 1.4046 1.4298 0.8091 0.8399 1.7535 1.8376 0.8961 2.3866 1.0493 0.7285 1.0905 0.8837 1.2133 1.0674 3.8414 1.1784 1.0793 0.7039 0.8568 1.0220 0.7655 1.0000 0.9712 0.8112 0.8860 0.5828 1.6241 1.8870 1.2113 0.6658 0.8661 1.4313 1.3441 0.7942 0.3425 2.4168 2.3689 0.8523 0.4438 0.9223 2.0801 1.1106 1.0579 1.9352 0.8393 0.9433 1.4162 1.3949 0.6729 1.5042 0.5464 1.2795 0.6306 1.5232 0.5229 1.5481 0.6079 0.8000 1.0953 6.1930 0.9004 0.9685 0.6598 1.2445 1.3942 0.4071 0.8143 3.3895 0.8216 0.5999 0.5520 1.4162 1.0275 0.9455 1.3660 1.0397 0.7668 0.8669 0.6702 0.8385 1.2574 0.4524 1.3016 1.5248 2.1237 1.5178 5.8652 0.5417 5.8045 0.7300 1.9375 3.6781 1.2039 0.8710 0.5554 0.6616 0.7354 4.3428 piperine 0.2119 1.2949 0.1153 4.5795 8.1382 0.1349 2.1445 1.7504 1.0514 10.6505 0.1105 1.2159 0.4892 0.4012 0.2469 0.0079 6.7407 1.9547 0.6723 4.1606 14.5244 0.1963 0.4457 0.8994 0.3412 2.3591 1.8861 1.1658 0.1440 0.7594 0.2355 1.6357 1.2371 0.0386 0.6578 1.3722 0.6315 12.0587 0.2022 0.0966 2.4000 0.5364 0.2346 0.8283 2.8440 0.1913 0.6636 1.0594 1.7236 0.8021 1.2905 9.8013 1.6868 2.2943 1.3365 2.2820 0.4583 0.4542 0.8808 1.0172 7.2343 14.4153 0.3514 3.6155 2.3019 0.0366 7.4598 0.5583 0.6481 6.8959 2.1687 0.4976 0.6981 0.3932 0.9230 14.0273 0.5281 0.8385 0.2356 0.9365 5.6662 1.1769 1.2556 0.8031 0.0863 1.0059 2.1339 3.2124 5.7427 0.0079 1.5147 0.6207 0.1588 0.4738 3.3702 2.9357 2.1124 0.5598 0.4016 0.8695 0.3235 2.1271 1.2012 1.0771 1.6974 0.8341 0.8391 2.2294 16.0412 0.8656 4.9381 0.7994 5.3686 0.3665 1.9176 1.6600 1.4583 6.6038 0.9825 0.2620 0.9941 0.1812 0.0393 1.3179 4.6068 2.6283 4.8309 0.5644 0.9332 0.2336 0.4917 pregnanediol-3-glucuronide 0.3633 1.0197 1.5904 0.3188 1.7221 0.2270 0.2270 0.6508 2.2836 0.2270 0.7970 8.5909 1.0030 0.7137 1.2674 1.1787 0.3699 0.5813 1.9369 1.1775 0.4444 1.2669 0.2270 0.8518 3.8476 0.2270 1.5730 1.0529 0.3927 1.4106 1.2043 1.0091 0.5412 0.9863 0.8836 2.4539 0.6721 1.2598 0.5511 0.5926 0.3037 1.4814 0.7212 0.8391 2.5957 0.8284 2.0676 0.5051 2.0623 0.4051 0.8552 0.6901 1.4845 0.7754 1.6230 1.0645 1.5748 0.2270 1.7453 0.6091 1.0567 0.5160 1.6855 1.4544 6.4483 2.0002 0.7177 24.8523 0.3493 1.5434 3.3629 1.0064 0.6477 1.1881 0.5594 1.7320 0.7896 19.5877 0.8192 0.9254 0.4233 1.8140 2.0294 2.1035 2.4594 3.6315 0.8623 0.2270 1.9118 0.3816 0.9970 2.4763 3.1397 0.7944 1.0993 0.7514 0.2994 0.7557 1.3379 0.7608 0.3232 1.3636 0.5454 1.0737 0.8623 0.9970 1.1789 1.5304 0.4945 1.4071 0.5223 0.8686 1.5945 0.9712 1.9195 0.4169 1.6900 0.4657 0.5480 1.5954 0.4721 0.7341 1.4398 0.5581 1.2677 0.4144 0.3976 0.2270 0.7367 0.7301 2.2403 pregnanolone/allopregnanolone sulfate 0.3351 0.3351 1.0075 0.3351 1.8124 0.3351 0.3351 0.3351 1.2962 0.3351 0.3351 15.9946 0.3351 0.3351 0.3351 0.3351 0.4730 0.3351 0.4399 0.3351 0.3351 0.3351 0.3351 0.3351 0.9368 0.3351 0.3351 0.5192 0.3351 1.4357 0.3351 0.8073 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.7661 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 2.0677 1.1937 0.7359 0.3351 8.5320 0.3351 0.7092 1.6576 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 5.3425 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 1.6916 0.3351 0.3351 0.3351 0.3351 0.3351 1.4260 1.2631 0.3351 0.6733 0.3351 0.3351 0.3351 0.3351 0.4599 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.8477 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.9925 0.3351 0.3351 0.3351 0.3351 0.9921 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 0.3351 1.1977 pregnenediol disulfate (C21H34O8S2)* 0.3786 1.5988 1.7561 0.9010 1.8920 0.1335 1.0405 0.8787 1.1925 0.4544 2.1352 0.4750 0.3225 0.6390 0.6640 0.4834 1.0231 1.2248 1.7554 1.3213 0.7312 2.2071 1.1465 0.9572 5.3187 0.6554 0.7215 2.1186 1.4544 3.2590 1.7403 0.9362 1.1561 1.8944 1.8050 1.2528 0.6095 2.3264 1.3020 1.1801 0.3961 0.5200 0.8368 1.8538 1.9061 0.7068 0.6047 0.9436 0.7566 0.8538 0.6465 0.5508 0.9030 2.1157 0.5901 0.4722 0.1169 0.1364 0.9968 0.4304 0.8677 0.5495 3.1358 4.7548 0.6718 1.1192 2.1575 2.1268 0.7043 1.7287 1.0000 0.3346 1.0380 0.4566 0.5928 2.0498 2.4356 1.7199 0.2620 0.4429 0.9658 1.0307 1.5975 1.4485 1.4402 2.1565 0.2307 0.2964 0.7000 0.3585 0.7188 1.9040 2.5559 0.7456 1.0372 1.1295 0.3835 0.7057 1.6154 1.3158 0.5394 0.5988 0.5523 0.2714 1.3859 1.2991 3.9236 1.5808 0.6785 0.4771 2.0169 1.4222 0.6702 1.1661 2.6790 0.5255 3.4806 2.4518 1.2690 1.3752 0.3919 0.7291 3.6162 0.8920 0.8420 1.1986 2.1067 0.1208 0.6701 1.0499 2.3075 pregnenediol sulfate (C21H34O5S)* 0.4994 1.4451 1.2677 0.5482 3.0972 0.0949 0.7336 0.8669 0.5702 0.4000 1.5310 0.6337 0.2868 0.5024 1.0573 0.7973 1.0930 1.1178 1.4055 1.7246 0.5877 2.8957 0.3189 1.0000 5.2232 0.6877 0.9558 1.4235 0.9256 2.6305 0.7764 0.6807 0.8822 1.7582 0.9023 0.9390 0.7427 2.5518 1.0024 0.7244 0.8017 0.6952 0.7761 2.1511 0.7925 0.6521 1.0238 0.8127 1.0776 0.1828 0.6064 0.7811 0.6676 1.8016 1.0936 0.7984 0.2390 0.2033 1.7680 0.6717 1.2568 0.6570 3.3356 4.3641 0.8855 1.5183 2.3001 3.0716 1.3269 1.7837 1.1044 0.6203 0.6547 0.4603 0.9466 2.8966 0.8027 2.3945 0.7612 0.7868 0.6279 1.3333 2.5010 1.3920 1.3031 3.2031 0.3457 0.1086 0.9436 0.5321 0.7244 1.8129 6.1217 1.3110 1.2300 1.4117 0.8847 0.5578 1.6050 1.7569 1.0613 0.7991 0.7208 0.8037 2.1499 2.4746 2.6897 1.6842 0.7437 1.3641 2.6322 1.5743 1.2457 1.5551 4.0252 0.3805 3.7470 1.7177 0.9521 1.0642 0.7024 0.7622 2.4948 1.2500 0.9112 2.0399 1.3853 0.2562 1.0971 0.9615 2.1074 pregnenetriol disulfate* 0.7818 2.0836 2.4715 0.5847 2.0144 0.1574 1.4030 0.9480 1.5384 0.7265 1.9178 0.8899 0.5031 1.1471 0.4432 0.5214 1.4877 1.4202 1.4079 2.0123 1.2926 2.2757 1.6560 0.9925 3.1920 0.6256 0.6035 1.8814 1.6283 2.4052 2.1439 1.1071 1.5824 2.3047 2.2587 0.8955 0.4963 2.2607 1.5508 1.2137 0.6439 0.6545 1.9531 1.8546 1.5146 0.8502 0.3718 0.9740 0.7186 1.3130 1.1481 0.6595 0.7267 1.3567 0.7212 0.4019 0.0657 0.2308 1.0055 0.3626 0.9458 0.4210 2.3609 4.8657 0.6108 1.0000 1.7260 1.3922 0.5817 1.3656 0.9008 0.2571 1.0870 0.3308 0.7289 1.8383 1.5355 1.2327 0.1774 0.3798 0.9126 0.7141 1.2187 1.5593 0.9259 2.5183 0.4303 0.0459 0.7318 0.5074 0.7010 1.1867 1.3620 0.5338 1.3396 0.7222 0.5005 0.4462 1.8654 0.9050 0.9486 0.4703 0.7091 0.3492 1.4512 1.4679 2.7222 1.8088 0.8223 0.6783 2.0761 1.4978 0.7960 0.9353 1.6688 0.6415 4.9466 2.3661 1.2577 0.9576 0.5715 0.8548 3.4107 0.7788 1.0228 1.6099 2.0249 0.1749 0.8600 1.2141 3.3936 pregnenetriol sulfate* 0.8106 1.6138 1.1306 0.5337 2.5756 0.1048 1.0833 0.8717 0.7547 0.6185 1.4891 1.0233 0.4141 0.8701 0.7892 0.6984 1.8086 1.2567 0.9479 2.3737 0.9882 3.2212 0.6270 1.0000 2.7095 0.7498 0.6291 1.4166 1.1779 1.9278 0.7557 0.6809 1.2125 1.7893 1.0914 0.6026 0.5253 2.4085 0.9434 0.9338 1.3187 0.8782 1.5767 1.9983 0.7985 0.7679 0.6008 0.8316 0.7009 0.3073 0.9679 1.0207 0.3957 1.1017 1.1101 0.5993 0.1242 0.2529 1.6046 0.4442 1.1100 0.4423 2.1793 3.8226 0.7910 1.1869 1.8889 1.7178 1.1245 1.1134 0.8177 0.3859 0.5343 0.4204 1.1115 2.6178 0.5542 1.8702 0.3779 0.7487 0.6214 1.0507 1.9177 1.4875 0.8029 3.3107 0.6213 0.0387 0.6607 0.6700 0.7112 0.9857 3.4083 0.9261 1.3204 0.7883 1.0682 0.3680 2.1015 1.1934 1.5318 0.7926 0.9227 0.7762 2.0022 2.5676 2.0269 1.6377 0.9790 1.3714 2.4731 1.5969 1.2494 1.4461 2.5217 0.3971 4.1196 1.7473 1.0784 0.7830 0.7894 0.6827 2.3174 1.1052 1.0472 2.2868 1.3839 0.2879 0.8574 0.9629 2.4956 pregnenolone sulfate 0.1938 1.0985 1.4354 0.1938 2.9778 0.1938 0.3859 0.5115 0.2955 0.4627 1.2487 0.9143 0.1938 0.1938 0.7048 0.1938 1.3623 0.7566 1.3502 1.2175 0.3348 2.4338 0.3378 0.6215 4.3645 0.5588 1.0030 1.2987 0.8418 2.8611 0.7348 0.7184 0.5054 1.8051 0.4245 0.9925 0.1938 2.1582 0.5206 0.8374 0.4858 0.2322 0.4459 1.1891 0.5858 0.5118 1.2080 0.4694 0.8821 0.1938 0.1938 0.7561 0.1938 1.8529 1.1582 0.9482 0.1938 0.1938 1.3942 0.7236 2.0233 0.1938 2.6754 3.5213 0.6981 0.8726 1.2989 2.5891 0.8754 2.4520 0.9302 0.6169 0.6747 0.1938 0.5333 2.2287 0.1938 1.9236 0.5835 0.1938 0.1938 0.9408 1.9939 1.8077 1.7079 5.9591 0.1938 0.1938 1.6612 0.1938 0.6187 2.9842 5.3555 1.2475 1.5433 1.0180 0.8957 0.3930 3.0052 1.7009 1.1691 0.1938 0.5735 0.5963 0.9853 2.5261 2.7361 1.3528 0.1938 0.8921 1.7747 0.7168 0.8835 1.0000 2.7277 0.6104 3.1770 1.7038 0.1938 1.8962 0.4452 0.1938 1.0066 0.9322 1.0048 1.1042 0.4524 0.1938 1.3519 0.4999 2.0339 pristanate 0.3027 0.3027 0.3027 1.0201 0.3027 0.3027 1.1938 0.9430 0.5289 0.3950 0.3467 0.3027 0.3027 0.8331 1.0007 0.4616 0.4262 0.3027 0.9993 2.0201 1.4102 0.3027 0.8000 1.2581 0.3027 0.6631 0.9839 0.3027 0.3027 0.3027 0.9523 1.0078 1.3950 0.5499 0.3027 0.9455 0.7734 0.5020 0.3027 0.3027 0.7643 0.6853 0.8596 0.4155 1.2580 0.3027 1.0730 1.3897 0.5427 0.3027 0.8893 0.3027 1.4537 1.0059 0.7461 1.4313 0.7080 1.5884 0.5505 0.3027 1.4149 0.3027 2.0057 1.0087 0.3027 2.4435 1.5360 1.9481 2.0367 1.7537 1.0839 0.8414 0.4702 0.8394 1.2378 0.8811 0.6946 1.0304 1.0610 0.7028 0.8883 1.7782 1.7507 1.2867 1.5363 1.9770 1.4508 0.3027 1.7173 0.3027 1.5065 0.9578 1.0782 1.8641 0.3027 0.8398 0.3027 1.0059 0.4758 0.3027 0.3027 1.8854 0.6576 0.7142 1.1132 0.5941 1.3091 0.7384 0.5472 1.0923 1.1996 0.6029 1.4050 1.0545 0.3027 1.6656 0.4393 1.2774 0.8245 0.3027 0.9898 1.1333 0.7679 1.1533 0.3027 1.0128 0.3027 0.7852 0.9046 0.8362 0.8011 pro-hydroxy-pro 0.8472 1.7041 0.7366 0.9023 1.4157 1.2129 0.8855 0.2913 0.8132 1.8274 0.9514 0.9120 1.9223 1.0177 0.9861 1.0219 0.9999 1.3399 1.0648 0.9288 1.0913 0.6679 0.7593 0.7079 1.0022 0.7801 1.1663 1.0000 1.1997 0.6112 0.9110 1.3183 0.8200 0.5535 0.6599 0.8934 1.1794 1.9609 0.9177 0.6240 0.9561 0.7058 1.0796 1.0454 1.7321 0.6121 0.8664 1.0208 3.0937 0.8237 1.0331 0.8388 0.6840 1.1108 1.2141 1.8483 1.2247 1.1385 1.3484 0.9370 1.7583 1.5317 1.9373 1.1932 1.2063 0.5585 1.6416 0.6405 0.8711 1.0068 0.6316 1.8616 0.6629 0.6028 0.6958 1.1665 0.9899 1.6970 0.9310 0.6564 0.9475 0.9908 1.4773 1.5866 0.7713 1.5494 1.5366 2.0646 1.1977 1.5663 1.6173 1.4062 1.1869 1.0283 1.6143 1.2487 0.8796 1.0186 0.8560 1.4159 0.7198 0.7579 0.7873 0.8580 1.3171 0.8534 0.5359 1.0916 0.9211 1.1435 1.0548 0.6669 0.9606 0.7719 0.9629 1.2080 1.1811 0.8388 0.9587 0.6823 1.0405 0.8084 1.4830 0.9308 0.7556 1.0723 0.5906 1.4405 1.1900 1.5060 0.8011 proline 1.4380 0.9838 0.9754 1.3436 1.2328 0.9134 0.9096 1.2548 1.3128 1.4617 1.2069 1.3027 0.7507 1.0400 1.3880 0.8039 1.2727 0.9608 1.0591 0.8994 1.1175 0.9398 0.7054 1.2061 0.8168 1.0922 0.9922 0.7138 1.0432 0.9553 1.4025 1.1855 1.6942 1.3995 1.0317 0.7939 0.8354 1.1479 1.1768 1.0058 1.5972 1.0636 0.8137 0.9412 1.5393 1.2199 1.2025 1.1620 1.8651 0.7666 1.2980 1.1719 0.8131 0.7434 0.9257 0.8322 0.9591 0.6949 0.6075 0.8551 1.2019 1.3562 1.2903 1.1492 0.8530 0.8662 1.2672 0.8925 0.9144 0.9161 1.0801 0.7208 0.5098 1.3481 0.9111 1.1497 0.7324 0.7795 0.7151 1.1124 0.6605 0.8764 1.1623 0.9465 0.7947 0.9768 0.8531 0.8494 0.7362 1.1153 1.0465 0.9257 0.9984 1.0233 1.0691 0.8327 0.8810 1.2482 1.0486 0.8834 0.8124 1.4140 0.9325 0.8420 1.0472 1.2810 0.6966 1.1760 1.5229 1.0045 0.9392 0.9748 1.3312 0.9138 1.0738 1.3910 1.3767 1.0146 0.8447 1.0000 0.7632 1.1552 1.2699 0.7461 1.2339 0.9813 0.9029 0.7778 0.9321 1.0831 1.1814 prolylglycine 0.1538 0.3980 1.9325 0.7790 0.1538 0.9294 0.4779 2.7279 0.1538 0.8909 0.4639 1.4163 0.1538 0.1538 1.2550 0.1538 7.4616 0.1538 1.1473 0.2346 1.7932 0.1538 0.4191 0.4539 0.8346 0.1538 0.1538 0.1538 1.0158 0.8913 4.6792 0.7210 0.1538 1.2098 0.1538 0.7062 0.1538 1.3069 1.0620 1.2065 1.8759 0.1538 0.1538 0.1538 3.1123 0.6902 1.8236 0.8821 2.5988 0.1538 0.1538 0.5523 0.1538 0.7480 0.1538 0.1538 1.2062 0.1538 0.1538 0.6463 1.2286 0.8590 0.9141 0.3261 0.1538 0.1538 2.6936 0.1538 0.1538 0.3528 0.1538 0.4740 1.1062 1.0864 0.1538 2.7333 0.3433 0.7888 1.2463 0.1538 0.1538 0.1538 1.5952 0.1538 0.3882 0.8438 0.1538 0.8685 1.0307 0.1538 0.9566 0.7466 0.1538 0.1538 3.5683 0.1538 0.1538 0.5150 1.0000 0.9841 2.2574 2.2822 0.1538 0.1538 0.7835 1.8897 0.6674 0.1538 1.5606 1.0883 0.1538 1.0942 1.1927 0.1538 1.0050 2.1618 2.3495 0.1538 0.1538 0.1538 0.1538 0.9729 0.1538 1.5784 0.5342 0.1538 0.1538 0.5699 0.1538 1.2928 0.9776 propionylcarnitine (C3) 0.4427 0.5370 1.0213 1.7098 1.4618 1.2643 1.2519 1.0369 0.5876 0.9451 0.9454 0.7732 0.6194 0.5829 1.3073 1.2074 1.7224 1.0584 1.6628 0.7935 1.3944 0.7430 1.1604 0.4892 0.8130 0.7914 1.1805 0.5883 0.9481 1.5121 1.5375 1.1297 0.7564 1.1130 2.2379 1.0450 1.0719 1.4944 1.0007 1.3619 1.6552 1.0382 0.8126 1.4037 2.4483 1.1019 1.2094 0.4005 1.6819 0.7116 0.8441 1.5622 0.4046 0.4812 0.9329 0.6101 0.9830 0.4819 0.6753 0.4228 1.0566 0.8396 0.8298 0.7954 0.7202 0.9348 1.2498 0.6717 0.7827 0.5526 0.5964 0.6720 0.8594 1.0242 0.6195 1.4229 0.1598 0.6700 0.8192 0.5716 0.7826 0.5911 0.6692 0.7841 0.4844 0.6822 0.6325 1.0960 1.0356 0.8405 0.8797 0.8227 1.4876 0.6591 1.3324 1.1186 1.7324 1.1328 1.5923 0.9351 1.6707 1.9912 0.9356 1.1248 1.4958 2.0452 0.7011 1.8003 2.7155 2.4670 1.0000 1.2432 1.3910 1.0651 1.0149 0.8498 1.6451 1.3476 1.6413 1.6527 0.9058 1.4049 0.9594 0.8136 1.2043 0.8818 1.3267 0.9934 1.2635 1.1202 0.7802 propionylglycine 0.3186 0.4711 0.8672 1.0983 0.9750 1.7660 0.3186 0.4636 0.3186 0.8556 0.3186 0.4273 1.0000 0.7749 0.8139 1.7535 1.1969 0.4986 1.5651 0.6095 0.3186 0.8158 0.6911 1.0670 0.3186 0.4100 0.8543 0.5640 0.4823 0.7540 1.1680 2.4524 0.3186 1.2698 1.0974 0.9081 0.7528 1.2502 0.9255 1.5968 1.1484 0.8497 1.0141 0.3186 0.4858 0.5384 2.1480 0.3186 0.7443 0.8954 0.5678 1.5398 1.1271 0.7135 3.9837 1.5908 2.8325 1.6507 1.9055 1.9960 1.1922 1.6339 1.6478 0.7170 0.8731 1.4651 1.7275 1.1668 0.3186 0.9247 0.9051 0.3950 0.7704 1.5185 1.3356 1.1620 1.0467 1.3084 2.3586 1.9802 1.5210 1.4321 1.3037 1.9417 1.4599 1.1263 0.6652 2.7409 1.1725 2.2700 1.1848 1.7542 1.8835 0.7000 1.9823 0.5488 0.4517 0.7215 0.4456 0.5726 0.9888 0.4038 1.1728 1.1477 0.7416 1.1431 0.3186 0.9824 0.6465 0.9922 1.0536 0.3186 0.9476 0.3186 0.9765 0.5667 0.4864 0.7140 1.0175 0.7862 1.5389 1.1582 1.0066 0.6667 0.9156 0.9843 1.4893 0.4606 1.3058 0.9386 0.3474 propyl 4-hydroxybenzoate sulfate 2.1446 0.1005 0.1005 2.6333 0.1005 0.6164 0.1119 0.1005 1.8604 1.4305 0.1781 2.7796 0.7072 1.2016 1.6483 1.4100 0.1005 0.1005 0.1005 4.5560 0.1005 0.1005 2.9253 0.1005 0.1005 0.1005 0.1005 0.1005 0.1005 0.1766 0.1005 10.1367 0.1005 0.1005 0.1005 0.3601 0.1005 0.1005 0.1005 1.4895 0.1005 12.2973 0.3440 1.1228 0.3563 0.1005 0.4696 0.1005 0.1005 0.8558 1.9151 0.1005 0.1005 0.1005 7.5707 1.5551 0.1005 0.3768 0.1005 0.2126 0.1005 0.3311 0.3105 0.1005 0.1005 0.9835 0.1005 0.3723 0.1005 0.1005 7.4341 0.8450 0.9826 0.2166 0.1005 0.1005 0.2358 3.9478 0.1005 11.5597 0.1005 2.0059 0.1005 0.2031 0.1005 0.1005 1.8892 0.1005 12.7890 0.1005 0.1005 0.4385 0.1005 2.2192 0.1005 2.9180 1.7393 2.5951 7.1197 1.1619 0.5709 0.2280 0.1005 0.4482 0.1005 0.1005 0.1005 0.1005 0.2520 0.1005 0.1005 0.1005 0.4589 0.1005 0.1005 3.6710 0.2260 0.1005 0.1005 0.1005 1.5765 0.1005 0.1005 0.1323 0.6791 1.9771 0.1762 1.0000 0.1415 0.1005 1.5382 pseudouridine 1.0338 1.0538 1.1058 1.1394 0.8526 1.5507 0.8526 0.6513 1.0130 1.0556 1.1009 1.1776 1.0468 1.1699 0.9821 1.2693 1.1468 1.0196 1.3099 0.9860 1.1165 0.9640 0.8930 0.9328 0.9774 0.9978 1.3575 1.1274 0.9790 1.0329 0.9404 1.0696 1.0693 1.2380 1.3764 1.1158 1.0801 1.0126 1.1839 0.9295 0.8832 1.3873 0.9663 0.8825 1.4517 0.8647 0.9699 0.6001 1.7343 1.1463 1.3204 0.7862 0.7857 0.8311 0.8553 1.1397 0.9460 0.9220 0.9664 0.9923 1.1588 0.9581 1.0751 0.8642 0.9203 0.9228 1.1034 0.9611 0.7622 0.9103 0.9435 0.9517 0.8090 0.7842 0.8574 0.9678 0.8153 0.9764 0.9538 0.9422 0.8776 0.9463 1.0410 1.1629 1.0922 1.0042 0.7860 0.9435 1.1764 1.1324 1.1216 0.9938 1.0307 0.8364 0.9475 1.2321 0.7415 1.0635 1.0353 1.3196 1.0000 1.0482 1.0428 1.1158 0.9906 0.5352 0.8420 1.0920 1.0337 1.2519 0.8334 0.8937 1.2676 0.7211 0.9458 1.3943 1.4709 0.9392 1.1124 1.1312 0.9301 0.9926 1.1016 0.7571 0.8841 1.1955 0.9697 1.1458 1.4021 1.1458 1.2174 pyridoxal 0.9571 0.6929 1.5525 1.2032 0.8106 1.1780 0.7896 0.9425 0.9332 2.3025 1.3000 0.9483 1.2268 0.6689 0.9786 0.7502 1.0702 1.4979 0.7825 0.9525 1.1846 1.5622 1.3485 0.8658 1.0480 1.0260 0.8437 0.8857 2.1437 0.9315 0.6457 0.6457 0.6457 0.8284 1.0375 0.6457 0.9565 1.0585 0.8843 0.9753 0.8663 1.2364 2.4655 0.8764 1.0252 0.9471 1.6377 0.9982 1.3982 1.0020 0.7863 0.8645 0.8061 0.6457 1.9723 1.0131 0.6538 0.9770 3.3026 0.6457 0.9500 0.6976 0.6457 0.8118 0.9408 0.7905 0.9495 0.8278 1.0256 0.9914 0.9488 0.9322 1.0984 0.8498 1.0018 0.9968 2.2860 0.9360 0.7011 0.7712 0.9329 1.5283 4.5025 0.9309 1.0822 0.6457 1.4617 1.1278 1.0150 1.0679 1.1064 0.6457 1.1830 1.1833 1.0255 6.6862 0.9804 0.8376 0.8619 1.5428 0.8980 0.8950 0.7271 0.8469 2.0311 0.9330 1.1567 1.2088 3.0459 1.0763 2.1315 0.6457 1.0394 0.9632 0.6457 0.6457 0.9098 1.1277 3.5674 1.1426 1.1159 0.6457 1.5684 1.1004 0.8538 1.0346 0.6457 1.2972 1.3665 1.0948 0.9355 pyridoxate 0.8213 0.5741 2.4078 2.7459 0.5629 2.3636 0.6831 1.0985 1.1938 2.5459 1.8004 1.1035 1.4010 0.4395 1.2525 0.8592 1.1704 1.6520 1.2534 0.3095 1.6619 1.5210 1.5681 1.2084 0.5792 0.6457 1.4352 0.6843 3.9889 0.8277 0.9303 2.9885 1.1278 0.8789 1.6591 1.2603 1.1163 1.0996 0.5183 0.9931 0.3593 1.3993 5.5291 1.4767 1.0857 0.7774 2.6839 0.8216 3.1709 1.2040 0.4871 1.0592 0.3637 0.9215 3.6041 0.8608 0.3357 0.6322 4.4405 0.4929 0.5452 0.4743 0.4637 0.5245 0.6879 0.7094 1.0053 0.5911 0.5381 1.0210 0.5203 0.5258 1.3552 0.6838 0.9419 0.9753 3.6159 0.6094 0.5178 0.3207 0.6976 1.3868 7.0408 0.7877 0.8439 0.6024 2.0706 0.7106 0.6662 0.9826 1.1235 0.4184 0.5307 1.2488 0.9628 15.7916 0.5609 0.7962 0.6934 3.8512 0.6126 1.1306 0.4735 0.6190 4.0540 0.5825 1.0000 1.0760 6.7613 0.8995 2.8382 1.5430 1.1144 0.8930 0.7062 0.8091 1.2661 1.0923 6.6825 1.7967 0.8568 0.6765 2.2925 1.7462 0.6833 1.1030 1.0411 1.6224 1.2383 1.2407 1.1835 pyroglutamine* 0.5915 0.7490 0.2741 2.5687 1.4371 1.6701 1.1020 0.4830 1.3717 0.3501 0.6983 1.2421 0.3886 0.9830 1.3614 1.3630 8.1131 1.0794 2.3704 0.3257 0.7783 1.1737 0.2274 0.6486 0.3579 1.2138 3.3498 0.3411 1.9340 0.6956 0.1839 0.7018 0.1914 0.8890 0.5310 0.7279 1.2037 1.5106 1.4807 0.4776 0.4964 0.4983 0.7601 0.8667 0.5407 0.4620 0.7551 0.1913 3.1956 1.8078 2.1000 0.5919 1.0343 0.8709 0.8513 0.9234 0.6561 0.4468 0.5284 0.6760 2.3556 0.5398 1.2738 1.3163 0.7888 2.1605 1.4360 0.6230 2.1638 1.2014 0.8739 2.0261 0.6036 0.6191 0.4853 2.0409 1.1662 1.3855 0.5620 0.4519 1.0000 0.4967 2.4764 1.4230 3.0103 0.5629 0.3862 0.6314 0.7568 1.4740 2.3307 0.7041 2.6929 0.9357 1.1771 3.3686 0.4239 0.5281 3.7894 2.7686 1.6567 0.2820 0.9529 1.1440 1.0522 3.2249 2.1047 1.2056 1.0236 1.2285 2.4479 1.7016 0.9348 0.9340 1.4355 2.0125 0.4693 1.4582 2.0325 1.1639 0.4419 2.0231 1.2307 1.7178 1.0961 1.0980 0.6029 0.5308 2.5011 1.3540 0.8049 pyrraline 1.1695 0.4698 0.4698 1.1175 0.4698 0.4698 0.4698 0.9803 0.4698 0.9627 0.5828 2.4445 0.4698 0.4698 0.6117 0.4698 3.4370 0.4698 0.5183 1.2973 1.2435 0.4698 0.4698 0.4698 0.4698 0.4698 0.4698 0.4698 0.4698 0.4698 1.0380 1.1701 1.0566 0.4698 0.4698 0.5718 0.4698 1.3867 0.5971 0.4698 2.9686 0.4698 0.4698 0.4698 0.6799 0.4698 1.0433 1.0113 1.6747 0.4698 0.7601 0.8249 0.7039 1.1903 0.6690 0.4698 0.8012 0.8940 0.4698 0.4698 0.7616 1.1824 3.3282 1.1216 0.7385 0.7194 0.7996 1.0467 0.7858 1.3435 2.6511 0.4698 0.4698 1.9213 0.4826 1.0042 0.9009 1.9098 0.7155 1.2484 0.4698 1.2673 0.6599 0.7158 1.9739 1.2360 0.4698 0.8728 0.4698 1.8462 1.0273 0.6440 1.2064 1.0902 1.4158 0.4698 1.0095 0.4698 0.4698 0.9016 0.4698 0.4979 1.3650 0.4698 0.4698 1.9269 0.4698 0.6219 0.7454 0.7454 0.4698 0.4698 0.9958 0.5470 0.4698 1.5380 0.6994 0.4698 0.4698 0.6347 0.8296 0.4698 0.4698 0.6179 0.4698 0.5065 0.4698 0.4698 1.2352 0.4698 1.0071 pyruvate 1.2243 0.7074 1.4520 1.3982 1.0356 1.3206 1.0079 1.1124 1.1150 1.8167 0.9830 1.3772 1.0603 1.2369 1.2116 0.8097 1.0510 1.0660 0.8575 1.2682 1.6860 0.7896 1.4060 1.6804 0.7177 1.1199 1.0355 0.9522 0.7060 0.9575 1.6038 1.4933 2.0034 0.8565 1.5805 1.0028 0.8786 1.0253 1.3604 0.9097 1.4625 1.4492 1.2173 1.1359 1.6049 0.9914 1.0335 1.5902 1.3110 1.0909 1.6247 1.2403 0.6136 0.7853 0.7707 0.8531 0.9190 0.6721 0.8946 1.3546 1.2445 1.2450 0.7517 0.6212 0.9878 0.7702 0.8570 0.7767 0.9070 1.5080 0.9049 0.9749 0.8535 1.1047 1.1707 0.7578 0.6181 0.8395 0.9110 1.1064 0.8561 0.6977 0.8689 0.9226 0.6780 1.1820 0.6394 0.7837 0.8371 0.5612 0.4208 0.9541 0.8101 0.4496 0.8620 1.0866 0.9514 0.9404 0.9452 0.9242 0.9587 1.4100 1.0691 0.8885 1.0671 1.2659 0.5792 1.3561 1.5180 1.1683 1.0840 1.3607 0.8517 1.6637 0.6171 0.7784 1.9790 0.9401 0.7131 1.6454 0.8638 1.2644 0.6392 0.6299 1.0747 0.9305 1.1619 1.0000 1.1730 0.6871 1.3042 quinate 3.1497 0.6099 0.0081 1.0079 1.7228 1.8706 3.0297 0.0324 0.6702 1.2330 1.0570 0.4019 0.0346 0.6427 3.1924 0.7625 0.4844 0.0203 0.4428 1.3213 0.1230 0.0713 0.0570 0.0685 0.0081 0.1002 0.0081 0.0153 0.0081 0.0391 0.2893 3.5123 3.7301 1.9361 0.0584 0.2691 6.7459 0.0485 0.1084 0.0081 0.1543 1.4321 0.0081 0.0081 0.1830 0.0081 0.0081 0.0081 0.1430 0.0206 0.0081 3.0397 0.7744 7.8216 7.3149 6.6770 0.0308 0.0081 12.2747 0.0489 0.0486 4.7077 4.5433 0.1086 3.0453 0.3386 0.2875 1.1935 1.4294 0.1042 3.9789 1.6975 0.1816 2.9474 9.3746 0.8310 0.1192 3.9305 11.9478 0.9953 2.9872 0.0081 4.1174 0.4233 1.8703 0.2121 0.0906 0.0499 4.5631 0.0263 3.7063 1.3636 1.0176 1.9446 0.0081 7.1935 0.0688 0.0463 1.6311 0.2714 0.6839 12.2123 5.9527 1.0000 3.1121 1.9160 1.5282 0.0321 0.0635 2.8958 1.0058 0.1439 2.8271 1.6209 4.2110 2.7511 0.0334 0.1801 1.4325 0.7163 0.0081 2.5469 0.3438 2.9132 1.6368 0.0081 2.5805 0.0324 7.3256 0.0498 0.0081 quinine 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 19.8201 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 1.0000 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 0.6561 quinolinate 0.8069 1.0186 1.6105 0.9380 1.5680 0.5968 1.2111 1.3496 0.5351 0.6983 2.7191 1.3860 1.0273 0.8585 1.3911 3.1415 2.8822 3.5359 2.0746 0.4547 1.8507 1.1916 0.6747 0.3268 1.2062 0.9933 1.0461 1.9687 0.9870 1.0441 0.8227 1.1885 0.3851 2.2433 2.2965 2.2984 0.7499 0.7897 1.6984 0.2683 1.0925 1.6153 2.2260 1.8238 1.8743 1.4113 0.4709 0.5123 2.9621 1.9328 0.6140 0.8333 0.4422 0.4624 0.2683 1.0379 0.4450 0.3328 0.2965 0.2683 0.3408 0.7265 0.4799 0.6589 0.6801 0.2683 0.3763 0.4250 0.2683 0.6009 0.2683 0.4602 0.6136 0.2683 0.2683 1.0067 1.0671 0.8657 0.5408 0.2926 0.6262 0.7841 0.2683 1.5346 0.7616 0.5024 0.2683 0.2683 0.7352 1.1376 0.4615 0.2683 0.2683 0.2683 0.6835 0.6007 0.3783 1.6127 0.5768 2.1024 0.4373 1.1431 0.6219 1.1740 0.6852 0.7997 1.3976 1.6923 1.5198 1.2459 0.3510 0.2683 1.9220 0.9492 0.6558 1.0617 1.9169 1.0654 0.6282 1.7874 1.2115 0.2683 1.4213 1.5773 1.8278 1.1964 0.5160 1.1219 1.1077 0.6256 1.2915 ranitidine 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 1.5033 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 0.4967 resveratrol disulfate (1)* 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 resveratrol disulfate (2)* 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 resveratrol sulfate (1)* 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 retinal 0.8916 1.0133 2.1347 0.9369 0.6965 1.6452 0.8157 1.1269 0.7063 0.8057 0.9361 1.0446 0.8584 1.1406 1.1514 1.7454 0.9234 0.5774 1.6010 0.5827 0.9683 0.8860 1.1732 1.2158 0.5090 1.0000 1.2483 0.7922 0.8551 0.9598 1.2406 1.4995 1.6037 1.1451 0.8353 1.0844 1.0689 1.3242 1.3269 0.7291 0.8767 1.1774 0.9473 1.1011 1.3418 0.9354 1.1188 1.6405 0.9498 1.1838 0.8460 0.8315 1.0127 0.5652 1.3394 0.7225 1.0933 0.8599 0.9252 0.4751 1.3861 1.4471 1.1220 0.8836 0.4505 0.8978 1.5307 0.7410 0.9660 1.4844 0.8924 0.4583 1.4638 0.6694 0.9906 1.0464 0.7622 1.1590 0.9065 0.7387 0.9592 0.8637 0.9988 1.0289 0.8508 0.6168 1.1975 0.9456 1.6388 1.1402 1.2739 1.2053 1.0235 0.7876 1.1841 1.2256 0.9834 0.9614 0.9866 1.3433 0.9296 1.9274 1.0133 0.8215 1.1826 1.2139 0.8488 1.0623 1.5198 1.4881 1.4883 0.7458 0.9673 0.8911 1.2055 0.5781 1.7471 0.9627 1.1699 1.4152 0.4311 1.1931 1.1060 1.6061 0.8873 1.0416 0.8977 0.7416 1.3061 1.0772 0.8899 retinol (Vitamin A) 1.0678 0.8275 2.1174 0.7633 0.6868 1.7638 1.0111 1.3470 0.6796 0.7565 0.7352 0.9770 0.7026 1.1376 1.0708 1.7396 0.9128 0.5201 1.5623 0.7632 0.8469 0.8586 0.9497 1.2198 0.4558 0.8615 1.1117 0.9038 0.8117 0.9508 1.4427 1.6068 1.6676 1.3782 0.7683 1.5585 0.9805 1.3181 1.2966 0.7216 0.8579 1.2112 1.0790 1.0358 1.3353 0.8614 1.0598 1.5740 0.8689 1.0349 0.8203 0.9258 0.8741 0.6350 1.3275 0.9370 1.0178 0.8082 1.2426 0.5373 1.4094 1.4976 1.6491 0.7800 0.5857 0.8101 1.5313 0.9970 0.8277 1.2906 0.8087 0.5877 1.4935 0.4984 0.8940 0.9337 0.7098 1.1347 1.0810 0.6693 0.9382 0.6589 1.1154 0.9462 0.6628 0.8566 1.0628 1.2598 1.7118 1.1743 1.1946 1.3761 0.9858 0.6863 1.2066 1.0411 1.1050 0.9438 0.9436 1.2664 0.7479 2.2060 0.8847 0.8495 1.2889 1.1713 0.6975 0.8777 1.5794 1.3409 1.5110 0.7018 1.1150 1.0466 1.1096 0.5311 1.8870 0.8736 0.9978 1.4446 0.5228 1.1871 1.2489 1.6708 1.0809 1.0000 1.1678 0.9295 1.2271 1.0075 0.8194 ribitol 1.4021 0.9409 1.3018 0.7440 1.3041 1.1563 1.0000 1.3190 1.0351 1.3923 1.1407 1.5455 0.9597 0.9254 1.0546 1.1244 1.4716 1.1658 0.9413 1.3070 1.0891 1.0118 1.1840 1.2032 0.9835 0.9605 0.8119 1.0258 1.0119 0.9124 0.9114 1.1212 1.4696 1.0513 1.1579 1.1720 0.8098 1.4786 1.1254 0.6769 1.2237 1.1373 0.9410 1.0211 1.4154 0.7201 0.8725 1.4274 1.4703 1.0673 1.2294 0.8195 0.5768 0.7468 0.6693 1.0137 0.7162 0.7218 0.6230 1.0107 1.2361 0.9431 0.9304 0.9349 0.8226 0.8304 0.9534 0.8456 0.6856 1.0409 0.8743 0.7075 0.8012 0.9832 0.7771 0.7581 0.7946 0.7700 0.8254 0.9593 0.8304 0.8364 0.7488 1.0047 0.7544 1.0421 0.7510 1.0041 0.7944 0.9081 0.6078 0.8889 0.8876 0.6960 0.8589 1.0502 1.0919 1.1961 0.9279 1.0026 0.9340 0.9679 1.0069 0.8800 0.8622 0.9963 0.9704 0.9532 1.0457 1.2639 1.1116 1.0344 1.1788 1.2725 0.9784 1.1646 1.4718 1.2240 0.8209 1.5459 1.0538 1.1361 0.9585 0.9618 0.9740 1.1787 1.0353 1.1620 1.1137 1.0855 1.1926 riboflavin (Vitamin B2) 0.5681 0.5681 0.5681 0.8016 0.5681 1.0546 0.5681 0.5681 1.1931 0.7858 1.0875 0.5681 0.5681 1.3160 0.7759 0.5681 1.7065 0.6823 0.8445 0.5878 0.5681 1.1503 1.3149 1.2570 1.2274 0.8339 0.5681 0.8823 0.5681 0.7363 0.5681 0.5681 0.5681 0.8971 0.5681 0.7999 0.5681 0.5681 1.2546 1.3147 0.5681 1.2784 0.8954 1.1042 0.5681 0.9376 0.6265 0.8780 0.5681 0.5681 0.5681 0.5681 0.5681 0.5681 1.1274 0.9087 0.5681 0.7843 1.2733 0.5681 0.9053 0.5681 1.0375 1.8392 0.5681 0.5681 1.3355 0.5681 0.5681 0.5681 0.5681 0.5681 1.0944 0.5681 0.5681 0.5681 0.9069 0.5681 0.5681 0.5681 0.5681 0.5681 1.0048 0.5681 0.5681 0.5681 0.5681 0.5681 0.5681 0.5681 0.5681 0.5681 0.5681 0.5681 1.5567 1.2986 1.6432 1.1807 1.2167 1.9881 0.9227 0.9952 0.5681 0.8699 11.0468 0.5681 0.5681 0.5681 8.9949 0.8560 2.2300 0.5681 0.8909 0.9472 0.5681 0.9399 2.7542 1.1360 1.1666 1.2617 0.9556 0.6117 1.1990 0.7561 0.6996 0.5681 0.9828 0.8950 0.8109 0.7015 2.4013 ribonate 1.0502 0.7824 2.2764 1.5184 2.4210 1.0903 0.6929 1.8829 0.9185 1.3466 0.6625 0.6256 1.2098 1.5410 1.6896 1.2257 1.3873 0.9031 1.7413 0.8144 2.4159 1.0457 0.6248 1.0000 0.3413 0.2277 2.1427 0.7499 0.8773 1.1343 0.7327 1.0511 1.3946 1.4793 2.2500 1.1156 1.2654 1.2224 1.3519 0.7086 1.5148 1.5492 0.9348 1.0550 2.7399 0.8611 1.6411 0.4036 1.3938 1.2962 1.9858 0.7727 0.4796 0.6091 0.3749 1.1321 1.8326 0.8903 0.7992 1.0149 0.7405 0.6928 0.6138 0.7952 0.2623 1.4636 1.2687 1.0313 0.7798 0.6792 1.1294 0.4344 0.7565 1.0544 0.9773 0.3195 0.8146 1.0173 0.9977 0.5380 0.9041 0.3291 0.9233 1.9243 0.6385 0.8034 0.9345 1.5066 1.1471 1.0159 1.3901 1.0390 0.8648 0.8287 0.4029 1.6694 2.5139 0.9793 0.8999 0.4566 0.3778 0.8876 1.0617 0.8102 1.0939 1.2805 0.9142 1.2366 1.7339 0.5649 1.0543 1.3925 0.6493 0.9511 1.4980 2.3213 0.9390 1.0954 0.8642 1.8090 0.8218 0.4196 1.0916 0.8654 0.6866 1.7688 0.5140 1.0046 0.8723 0.8946 1.4878 ribulonate/xylulonate/lyxonate* 0.1746 1.6386 0.5324 0.5005 0.6125 2.3125 2.2276 0.1540 0.6450 4.9940 1.1881 0.1540 2.7981 0.3243 0.6983 2.0653 3.3065 2.0694 2.3511 1.7915 3.4459 2.2346 1.9860 1.6131 0.1540 0.7741 0.4946 2.2511 1.5593 2.6686 1.2550 2.4317 0.4078 1.8912 0.5866 3.4789 0.4934 1.8492 2.2385 0.3070 0.6465 0.4335 2.0881 1.9654 2.1892 0.1540 0.6926 0.8212 0.9327 1.1455 0.3311 2.3019 0.1540 1.4449 0.8281 2.3180 0.8348 0.9879 0.8195 0.9446 2.2242 2.4681 2.3416 1.9509 0.1540 0.5171 0.9188 1.7024 0.5545 2.3378 0.7092 0.6961 0.4678 0.1540 0.4118 0.6204 1.5809 0.4828 1.0172 1.0167 2.2349 1.0769 1.0000 0.7870 1.3527 2.8858 1.8910 0.7679 2.2235 0.5376 0.7728 0.6322 2.1650 0.5795 0.6145 1.0115 0.1540 2.1069 0.4856 0.8962 0.1540 3.1286 0.1540 0.9444 2.1883 0.1681 0.7692 0.1540 0.9756 0.1540 2.1679 0.8709 0.5351 2.2652 0.3623 2.7063 0.1540 2.1435 0.5489 0.4752 0.5460 0.1540 0.6100 2.2563 2.1833 0.5570 0.1540 1.7275 0.5230 0.3583 0.4815 ritalinic acid 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 1.3459 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 0.6541 rosuvastatin 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 rosuvastatin lactone 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 S-1-pyrroline-5-carboxylate 0.8656 0.5631 0.2560 1.1886 1.1054 0.7004 0.7645 1.0194 0.7539 1.4666 0.4230 1.3070 0.5959 0.7362 1.0273 0.6068 1.7512 0.2560 0.8423 0.6613 0.6049 0.6529 0.6963 0.6912 0.5100 1.0669 1.2251 0.4320 0.9112 0.8154 0.9162 0.6524 0.4374 0.8094 0.2560 0.6548 0.6538 0.8586 1.0754 1.2027 0.5862 1.0638 0.4828 0.5047 1.0193 0.7200 0.5488 0.6161 1.4040 0.4645 0.9900 1.0245 0.5710 0.7322 0.9468 1.2183 0.8879 0.7487 0.3919 1.1251 1.3493 0.8399 1.0000 0.9822 1.1383 1.2440 1.2432 1.0609 1.0936 1.6781 1.0280 0.6643 0.5513 1.0816 1.0503 1.4413 0.5541 1.0981 0.8830 0.9283 0.7836 0.6118 0.7710 2.0104 0.8343 0.8702 0.7488 1.2881 1.4205 2.4773 1.5406 0.6257 1.1117 1.4573 1.6253 0.9566 0.5602 1.4471 1.3666 0.9577 1.3156 1.8770 1.8054 1.0679 1.1689 1.2413 1.0909 2.0029 0.8855 1.8514 1.0897 0.4331 1.2796 1.8172 1.0668 1.1545 1.1621 1.0361 1.3915 1.0255 0.8758 0.8289 1.2936 1.4095 1.1692 1.2923 0.5432 1.2010 1.0502 0.9482 1.3552 S-adenosylhomocysteine (SAH) 0.7642 1.1370 1.3891 1.1745 0.4789 1.2821 1.1923 1.1080 0.8654 0.8317 0.9804 1.6416 1.0673 1.6207 1.3359 2.4015 1.5857 1.1506 1.6570 1.3773 1.1758 1.4677 1.4704 1.2859 1.1842 1.9906 1.0000 0.7726 0.7339 1.1410 1.4151 1.1791 1.3393 1.2858 1.2778 1.2568 1.1375 1.0464 1.2575 1.1624 1.0478 1.1706 1.1339 1.3091 1.7677 1.0588 1.0573 1.3790 2.3650 1.3777 1.3467 0.8624 0.7469 0.4789 0.8775 0.8574 0.8765 0.5456 0.9601 1.2470 1.2860 0.9587 0.9151 0.9958 1.0156 0.7094 1.0517 0.9507 0.6212 0.4789 0.9411 1.6149 0.4789 0.8104 0.4789 0.8156 0.8684 1.1545 0.6716 0.8978 0.8070 0.6982 0.7450 1.1477 0.4789 0.6828 1.0297 0.8343 0.8327 0.7516 0.4789 0.8346 0.8641 0.4789 1.0710 0.6793 0.4789 0.4863 1.0162 0.9794 2.3587 0.6995 0.7152 0.4789 0.7417 0.7009 0.4789 0.9025 0.9738 1.2273 0.7177 1.4879 0.7627 0.6398 0.6782 0.8876 1.2388 0.8276 0.6004 0.6477 0.7806 1.1634 1.1148 0.8598 0.4789 0.9717 0.8703 0.9578 0.9479 0.4789 0.7723 S-allylcysteine 0.0456 0.0456 0.0456 1.3488 0.8849 0.0456 2.0458 0.5944 0.6963 0.5339 0.0732 1.6629 0.0456 1.3452 0.0456 0.0456 2.0316 0.2981 0.0456 0.0956 3.5937 0.0456 0.1717 0.3029 0.0456 0.0456 0.0456 0.1297 0.7753 1.8922 0.0456 0.0844 0.0456 0.0456 1.0000 0.1505 0.0456 3.6362 0.2580 1.0544 1.1748 0.0456 0.0456 0.3204 0.5313 0.0914 0.2998 0.0456 2.8874 0.3444 0.7046 1.0022 4.0351 0.0805 2.0472 0.1994 0.0456 0.0456 0.0456 0.1999 0.3611 1.0655 1.5173 1.1824 0.5861 0.0456 0.5836 0.0456 1.1013 3.8104 0.9782 0.0456 1.0945 0.1613 1.0147 5.7675 2.0396 1.5318 0.3456 2.2957 1.4106 0.2349 3.3289 0.0456 1.8238 0.7618 1.1727 2.9189 2.3952 0.0456 2.5058 0.8025 1.0569 4.1294 2.4550 1.1669 4.0579 0.0456 0.0456 1.9719 0.1027 0.0456 1.3826 0.0456 0.0456 3.7662 0.1398 0.3243 0.0456 0.5326 0.1995 0.2333 1.3243 0.0478 0.0456 0.8569 0.3326 2.5073 0.3020 0.0456 0.4553 0.0456 0.2058 3.6731 0.0456 1.1367 1.8829 1.7141 0.0456 0.0456 0.2409 S-methylcysteine 0.6453 0.9656 0.5872 0.6325 0.7019 0.6961 0.5417 1.1374 2.0782 1.0752 0.8031 0.6959 0.7645 1.4967 0.3787 0.6610 0.7750 0.8019 0.5785 0.6984 1.4228 0.6021 1.0805 1.5135 0.4668 1.2323 0.8111 0.6481 1.2825 0.9520 0.7283 0.6066 1.4326 0.6800 0.9129 0.4597 0.5491 0.9633 0.9024 0.8072 1.4259 0.7877 1.2296 0.8239 1.2383 0.7221 1.4063 1.0304 0.8218 1.1829 0.9078 0.9362 0.7467 0.6988 0.6726 1.8705 1.4167 0.9711 1.0785 2.2029 1.3215 1.3264 0.8214 0.6713 1.2599 0.8339 2.2184 0.8321 1.5002 0.7896 2.0543 1.4693 1.0000 1.6312 0.9229 1.0079 0.6409 1.0795 1.7284 1.1078 1.5264 0.8031 2.8973 1.0065 1.1331 1.2679 0.9882 0.9942 2.7829 0.5803 0.7678 1.0038 2.8663 1.2280 0.8253 1.1227 1.8211 0.8276 0.6971 1.0651 3.9415 0.9218 0.9865 0.5964 1.5222 0.7271 1.9700 1.0076 1.3103 0.7167 1.3585 1.9117 2.1771 1.0392 0.8291 2.1282 0.6735 1.2612 2.2408 1.8452 1.5080 2.9102 0.8641 1.9025 3.0945 1.7244 1.9669 0.6879 1.0442 0.9049 2.1522 S-methylcysteine sulfoxide 0.6018 1.4178 0.5597 0.4106 2.1613 0.5170 0.5656 1.4771 1.7276 0.9162 0.4794 0.5827 0.7620 1.1634 0.4441 0.3697 0.9444 0.7469 0.9930 0.4523 1.2868 0.3870 0.5633 0.7793 0.4540 1.3451 1.4793 0.7260 0.8997 0.6046 0.7420 0.5559 1.4176 0.4140 0.5023 0.5271 0.6044 0.7637 0.8572 0.5446 0.7139 0.5578 0.9114 1.2466 2.1908 0.4014 2.4056 0.6697 0.7162 1.1807 0.6585 1.0216 0.8079 0.8248 0.5290 4.8137 2.4973 0.8767 1.3312 2.2723 1.7344 1.4033 0.9295 0.4104 1.2131 0.4574 3.8249 1.1632 2.0832 0.3653 4.3328 1.6261 1.6533 1.4803 0.6993 0.8329 1.0470 1.0000 4.2051 1.5787 1.4638 0.8111 4.8438 0.8527 1.0276 2.1446 2.1396 1.1775 6.3893 0.6103 0.7160 0.5118 2.4381 1.5251 1.3437 1.0880 2.6895 0.6916 0.7456 1.4405 3.3793 1.0168 0.4977 0.5034 2.4263 0.4306 3.8072 1.2249 1.7405 0.5673 0.7377 2.6536 4.0784 1.4246 1.2148 4.3692 0.5613 0.9875 2.2724 1.1170 3.6264 1.9799 0.8172 2.9504 3.0253 2.0800 2.7199 0.5385 1.0029 0.6173 1.5238 saccharin 2.2044 0.7025 0.4520 0.6144 2.5461 1.3723 2.4553 64.3899 0.6969 0.4928 0.4167 1.7990 24.9052 0.4167 0.7243 2.5459 0.8449 0.4167 0.4167 0.9256 3.3383 0.5313 0.6551 5.1274 5.7067 0.4167 0.6180 0.4167 0.7693 0.4167 0.4751 68.0826 1.2731 0.4167 0.4167 3.2437 2.2222 0.8807 0.4167 0.4167 0.7100 0.4167 2.0052 0.4167 12.8858 0.4167 1.6486 0.8842 2.4368 0.7582 6.9476 0.4167 0.4167 1.1145 5.0426 0.7071 1.4745 0.4522 0.7143 0.4167 1.8274 2.5938 0.6343 1.3272 0.5949 0.5665 0.7587 0.8322 0.8273 0.5358 0.6955 0.4167 0.6856 0.4167 1.8852 0.4167 0.4167 1.7938 0.4167 0.5203 0.8055 0.7806 0.4167 0.4167 0.4167 0.4167 0.7007 0.4856 1.1128 0.4581 0.6755 1.2884 0.4547 0.4167 0.9217 0.7328 2.3562 1.0265 0.4167 0.6292 58.4479 1.3869 1.7757 28.9183 0.7945 0.9959 4.5300 0.4167 2.1497 1.6727 0.4167 0.8933 1.0258 2.5181 6.4603 0.4167 2.1012 3.7605 1.0041 0.5259 0.4167 0.4167 3.0564 0.5039 1.3968 0.5072 0.9171 0.5948 39.4244 60.6856 0.4167 salicylate 0.3551 0.5414 0.1930 13.8694 1.8940 2.2405 98.5142 0.5601 20.0029 0.3290 0.5919 0.3510 1.5117 0.1049 0.9463 4.9710 0.5704 0.1164 0.4118 0.4326 1.0162 0.1683 0.1510 4.8226 3.3226 8.4790 3.7105 0.2087 0.1608 0.3006 1.0742 1.6036 0.0516 0.2218 0.1392 10.7820 1.4979 0.9799 6.4509 0.6860 17.0048 0.1241 0.3182 0.2499 7.3555 0.0590 1.5819 0.2196 0.8829 0.2713 0.1681 19.3843 2.7193 1.2374 1.9647 0.6628 1.5674 1.9017 0.2208 0.1841 1.3720 0.8985 0.2523 0.2226 0.3127 0.3866 1.5420 1.9133 1.6946 1.6267 4.4274 0.9557 0.8346 1.2575 1.2903 0.2616 0.5972 1.5405 1.4453 35.5382 0.7328 2.0261 0.6079 0.8784 1.2408 0.5304 303.4372 0.4568 1.7359 0.5299 0.9943 0.4346 1.0862 0.7725 2.7360 1.4964 10.2281 2.7032 1.3879 1.2259 0.9460 40.5766 2.8931 0.4422 0.8597 6.9883 32.2110 0.2725 45.3618 2.1577 0.2193 1.6844 0.3245 1.3585 1.6096 9.6747 237.6271 0.2099 0.5960 0.1684 0.5152 0.1748 2.8357 110.7181 2.7618 1.0000 1.3902 0.4561 7.0728 3.3674 0.5729 salicyluric glucuronide* 0.1590 0.1590 0.1590 5.2747 0.2214 2.8116 17.4960 0.1590 7.4884 0.1590 0.1590 0.3365 0.2353 0.1590 0.1590 7.8893 0.4553 0.1590 2.3212 0.1590 0.5611 0.1590 0.1590 7.7532 0.7136 5.8411 5.1264 0.1590 0.1590 0.1590 1.7559 3.5234 0.1590 0.1590 0.1590 5.7552 0.2102 0.1590 9.9849 0.1590 3.2497 0.1590 0.1590 0.1590 14.5676 0.1590 2.6411 0.1590 0.3094 0.1590 0.1590 10.5666 0.5162 0.5628 0.4928 0.1590 0.3456 1.0000 0.1590 0.1590 0.1590 0.2058 0.1590 0.1590 0.1590 0.1590 0.3629 0.1590 0.1590 0.9627 0.4158 0.1590 0.1590 0.1590 0.1590 0.1590 0.1590 0.2174 0.2032 4.2024 0.3685 0.1590 0.1590 0.1590 0.3344 0.1590 34.6637 0.1590 0.6335 0.1590 0.1661 0.1590 0.1590 0.1590 0.2769 4.0482 4.6111 0.2315 0.2898 1.5329 0.1590 22.4171 6.2326 0.1590 1.1833 6.0292 18.3313 0.1590 19.3119 0.9772 0.1590 0.1590 0.2661 0.1590 0.2362 5.9425 10.9608 0.1590 0.2534 0.1590 0.1590 0.1590 2.9679 8.3308 0.3928 1.6995 0.4756 0.1590 2.3645 0.1706 0.2080 sarcosine 0.9976 0.5212 0.4600 0.8801 0.2037 1.9975 1.1087 1.1390 1.1571 0.8675 0.7514 0.6394 1.0274 0.8942 1.0445 0.8316 2.0449 0.7443 1.9137 0.8052 1.1090 0.5964 0.5951 1.2526 0.7158 0.8746 1.0191 0.8283 0.9310 0.6526 0.7072 1.0398 0.9672 0.7430 1.0425 1.1605 0.7772 1.0513 1.2740 2.7962 1.1935 0.9409 0.9787 0.7453 1.0374 0.7895 1.1473 0.8121 0.9305 0.7843 1.0713 1.2168 0.6900 0.6426 1.1597 1.0830 1.1947 0.8307 0.9408 1.2731 1.0080 1.1483 1.6498 1.6935 1.1133 1.4590 1.9385 0.7866 0.6969 1.3406 0.7328 0.9003 0.7390 1.0943 0.8775 0.9025 0.4831 0.6323 0.8978 0.7242 0.9143 0.8581 0.7737 0.5991 0.8653 1.0454 0.8135 1.0306 0.9066 0.6321 5.6204 0.9663 2.0996 6.5510 0.9422 1.0432 1.0397 0.8990 1.8806 2.4052 0.9631 1.1083 2.0191 2.2608 2.5504 1.1513 1.1982 0.8334 0.8333 1.0552 0.9999 0.8002 0.9020 1.2151 1.1887 1.8683 1.6188 1.0702 1.1581 1.0000 0.9082 1.2196 1.1469 1.0891 1.0503 1.3465 1.2876 1.9855 1.3894 0.7500 0.9435 sebacate (C10-DC) 1.2778 1.0265 0.8279 0.4744 14.4984 1.7577 0.9693 1.8619 0.6382 1.2213 2.8868 0.9629 1.0257 1.3176 0.3083 1.7746 1.0451 0.6898 0.7134 1.1633 0.7282 0.9870 1.2089 1.1575 1.5085 0.4691 1.2845 1.2293 1.6840 0.9467 1.0884 0.6498 1.7303 1.1047 0.9636 1.1944 1.0602 0.5567 0.9050 1.3010 0.8868 0.8826 0.7109 1.1531 2.6488 0.7785 1.2972 6.5798 1.7668 1.1303 1.2321 0.6942 0.3083 1.2717 0.3083 0.9295 0.6458 0.9736 1.1685 0.5910 0.4102 0.6832 0.9010 1.2363 0.6123 0.6053 0.8878 1.1990 0.5735 0.5736 1.6636 1.3426 1.3246 1.0105 0.4809 0.4867 1.3047 0.7402 1.3903 0.5676 1.2754 1.0770 0.7473 0.9714 0.8919 0.9181 1.0627 1.4942 0.4559 0.7761 1.1137 0.5735 0.4617 0.4871 1.2705 1.9072 1.2319 1.5856 1.1915 0.8475 0.5591 1.3975 0.3083 0.8987 0.3083 0.6290 1.3125 0.6148 0.8198 0.7895 0.9895 1.0213 0.7935 1.3708 0.9044 1.2887 0.4999 0.3083 0.3083 0.8056 0.6176 1.8774 1.7583 1.4908 0.3083 1.6712 1.0341 1.6345 0.7922 0.6962 0.5635 sedoheptulose 4.0019 0.2086 1.4289 4.2981 0.7960 1.0209 0.2086 1.0237 1.4861 1.7008 2.4259 0.8160 0.2086 1.0026 0.4825 0.2086 2.8400 0.6618 1.0001 1.5123 3.7536 0.8690 1.3199 0.4727 0.5525 0.6302 1.1569 0.5656 0.8837 1.0201 1.3197 0.9516 0.4630 1.5324 1.1562 0.2086 0.6443 1.3591 0.9856 0.2400 0.6373 2.5319 0.6065 3.7603 2.0994 0.7060 0.6063 1.0630 2.8833 0.7214 0.7650 0.9481 0.2086 0.2086 0.5950 1.0706 1.0694 0.4512 0.6066 0.5318 0.2498 1.1042 0.2086 0.2086 0.2086 0.8407 0.6425 1.2896 0.9069 1.2771 2.8024 0.2086 0.6772 0.2837 0.2086 1.1348 1.0114 1.3716 0.8283 0.4909 1.4637 0.6330 0.7174 1.4273 0.2086 0.2086 0.2086 0.2086 1.2519 0.8902 0.7469 0.7269 0.2086 0.7712 0.9160 0.3736 1.5814 2.6027 0.2086 2.0218 0.8201 0.7086 0.2086 1.3784 1.2994 2.7655 0.6656 1.1316 0.7352 1.3413 0.2086 1.5735 0.2086 1.2154 0.4977 1.6290 1.7052 3.3019 0.7371 0.2086 0.4196 1.1602 0.2086 1.5023 0.2086 0.9999 2.6259 0.7841 1.0024 0.2534 0.7566 serine 0.9314 1.2006 0.7011 0.8124 1.1132 0.7616 0.8062 0.9283 0.6597 0.9873 0.9998 0.6420 0.9993 0.7623 0.8189 1.0028 1.0425 1.0587 0.9025 0.9430 0.8180 0.8814 0.9176 0.6896 1.2698 1.0311 0.9474 1.1696 0.7803 0.8684 0.7717 0.8523 0.8982 0.7215 0.6009 0.7279 1.0319 0.9085 0.8069 0.9581 1.1529 0.9181 0.9378 1.1086 0.8544 1.1267 1.2718 0.8370 1.3264 0.9092 0.9459 1.3288 0.8694 1.3249 1.0232 1.2638 1.5506 1.1742 0.8849 1.2847 0.9781 1.1688 1.6250 1.0925 1.2714 0.8368 1.1895 1.2478 1.0890 1.2489 1.0499 0.9382 0.9937 1.8859 1.0217 1.1876 1.0145 1.0023 1.3002 1.0005 0.9114 1.5168 1.0311 1.2241 0.9843 1.2508 1.0737 0.9087 0.9060 1.0704 1.2654 1.1534 1.2134 1.4860 1.1939 0.9787 1.1534 1.0517 0.9420 0.9104 1.0675 1.5328 0.9185 1.0838 1.2193 1.0092 0.9637 0.9822 0.8962 0.8593 0.8220 0.8982 1.1453 1.0371 1.1372 0.7782 0.9342 1.1299 1.1282 0.8495 1.0000 0.9472 1.0646 0.9896 1.2419 1.0066 0.9777 1.0159 1.4297 0.9047 0.5525 serotonin 0.2592 0.0355 0.4526 0.5724 0.0612 0.5714 0.6267 0.0355 0.0452 0.2507 2.0506 0.0420 0.0355 1.4744 0.1285 1.3067 3.4005 2.7000 2.2557 0.8617 2.0804 3.7195 3.3155 0.1906 2.5537 0.0654 0.0929 1.4884 1.8016 0.1251 1.4182 0.0355 0.7539 0.1604 0.1875 1.1553 0.3011 2.2758 0.0498 2.2320 2.7493 1.3695 3.9011 3.6242 2.0055 0.2970 3.6295 1.6602 0.6958 0.2886 0.0499 0.1159 3.3615 0.5174 0.3845 1.1494 0.2163 0.7180 1.9804 2.9345 1.1580 0.5211 1.6071 0.9001 0.0355 0.0825 0.0773 1.8220 1.5350 1.2324 2.0048 0.0478 1.2776 0.2581 0.8387 2.4160 2.4033 0.4626 1.9531 2.0169 2.6299 0.0355 2.5594 3.1477 0.5366 4.0385 6.0878 3.8582 0.9599 0.0355 0.1477 2.6548 2.5357 0.2285 1.2069 0.0770 0.8998 0.8261 3.4681 1.2270 2.1477 0.8852 0.4967 0.0439 0.6211 1.3815 0.3006 3.0499 3.1484 0.0355 0.4874 0.8159 0.0990 1.4340 0.7474 0.6336 1.2927 0.0355 0.7573 3.5237 1.9756 0.0582 0.1153 0.6734 0.3836 1.0000 1.4204 0.0355 0.0355 1.5579 1.8102 sitagliptin 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 1.3328 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 0.6672 spermidine 0.9510 1.3745 0.9729 1.1662 1.5472 0.7605 1.1152 1.5596 0.7964 0.4726 0.9316 0.9629 1.0000 4.2421 0.7098 5.3054 0.8258 1.4543 0.7208 3.6327 1.1149 1.8094 4.1747 0.9428 1.3448 2.8249 1.6535 1.1363 1.0876 1.8741 0.6283 1.1773 1.1051 1.4203 1.0974 0.7126 2.5554 2.0864 1.2268 2.4087 2.6587 1.1550 1.9145 2.8381 0.8211 1.7398 1.2963 1.2592 0.6337 1.9228 1.2815 1.3836 0.3306 0.6383 1.5125 0.6940 1.0343 0.6263 0.8897 0.8736 1.5771 0.7905 0.6743 1.0981 0.8494 0.8886 0.5459 0.7984 1.1473 0.4567 0.8994 2.9638 0.6730 1.1580 1.3952 1.8685 0.6072 0.6259 1.1201 0.5697 1.5522 0.8779 1.6131 0.8733 0.3134 1.4008 1.8457 1.1650 0.8331 1.8660 0.6097 0.5099 0.7508 0.8022 0.5514 0.9724 0.7478 0.6936 1.2725 1.0842 6.9451 0.4146 1.3867 0.5648 0.6584 0.9987 0.4304 2.0478 2.5405 0.8218 2.0426 3.8921 0.7574 1.2521 0.7378 0.3443 0.9026 1.1437 0.7358 0.8542 0.4601 1.2936 2.5563 1.2796 0.1362 0.7782 0.9089 0.5979 0.4992 0.5824 0.9223 spermine 1.6179 1.2686 1.1152 0.4413 0.2035 1.3285 0.9853 1.9311 0.3634 0.3010 0.8761 2.3037 0.7081 4.3039 1.4020 3.6396 0.4500 2.9275 0.2231 7.2757 0.5662 1.2342 8.2751 1.0685 1.4938 4.2432 1.1960 1.9687 0.8883 2.0812 0.7878 1.3671 1.1306 1.7443 1.1577 1.1818 1.9585 1.3120 0.9901 3.3206 2.9461 1.1089 1.0000 2.7415 2.3555 0.9870 0.4383 0.6167 1.0782 2.3380 0.6537 1.1486 0.2035 0.3740 0.8425 0.7402 0.7762 0.3135 0.2035 0.9941 2.1261 0.2035 0.3271 1.0132 0.5797 0.2035 0.2035 0.3973 0.2035 0.4278 1.3860 1.5360 0.2035 0.6486 0.7787 1.2226 0.2235 0.8302 0.4639 0.4862 0.5610 0.2035 3.2156 0.2035 0.2035 1.0282 0.9379 1.6390 0.9020 1.8856 0.2035 0.2035 0.7023 0.2035 0.2035 0.3330 0.7143 0.7011 1.5396 1.2121 9.9707 0.4764 1.7753 0.6329 0.2322 0.7388 0.2035 2.0268 3.2437 0.6507 1.5305 5.8938 0.4307 1.1275 0.3675 0.2035 0.4236 0.9793 0.2150 0.7304 0.9136 1.6227 3.8144 0.5998 0.2035 0.5832 0.6224 0.2035 0.4126 1.1327 2.0724 sphingadienine 1.3678 0.5021 1.0891 0.5311 0.1983 0.1983 0.4146 1.1459 1.1291 0.1983 1.1860 1.9311 0.6282 1.3428 1.1776 1.7755 1.0000 2.0809 0.6804 2.8084 1.1261 2.6099 6.3887 0.7934 2.7123 1.6581 1.3983 2.9365 1.4493 2.6011 1.3788 2.5806 2.2714 2.3465 1.8202 1.7834 2.5264 2.3608 2.5385 0.7402 3.6561 2.1012 3.2991 3.9571 1.3730 1.6313 1.2885 1.1380 1.5533 3.5727 1.6269 1.8289 0.8490 0.3357 1.0492 0.5322 0.7823 0.1983 0.3700 0.2036 0.8592 0.4656 1.5020 1.2154 0.7618 0.5914 0.7462 0.7314 0.3749 0.7357 0.2616 0.2566 0.4828 1.4990 0.9924 1.6180 1.5799 0.2605 0.8991 2.5941 1.2788 0.8444 1.5529 0.9045 0.2258 1.7060 0.3532 1.4793 0.8576 1.7242 0.1983 0.2816 1.4912 0.1983 0.6982 0.1983 0.2358 0.3645 0.8243 0.5256 0.2852 0.3514 0.2752 0.1983 0.1983 0.3707 0.1983 1.1567 1.9565 0.1983 1.3904 0.2562 0.7321 0.8044 0.4123 0.1983 0.4632 0.4477 0.4371 1.2257 0.2456 0.4308 1.0115 0.2661 0.2262 0.4927 0.2334 0.1983 0.2943 0.3657 0.8360 sphinganine 1.5454 0.7563 2.5537 0.7478 0.2087 0.6063 0.8387 1.2238 1.6418 0.7334 2.1161 2.1252 1.0152 1.5436 2.1278 1.4408 1.0537 2.3004 0.6893 2.0022 1.8436 3.7187 4.8251 0.9487 3.9986 0.9701 1.3066 2.3110 1.9919 2.5457 1.8859 2.5355 2.6095 2.7813 2.0266 2.0037 3.4622 1.7976 2.0262 0.8892 2.7751 1.4392 4.8742 2.7514 1.8517 1.9062 1.8173 1.6546 1.3852 3.6564 1.0387 1.9570 1.2379 0.5589 1.1042 0.7190 1.5998 0.4983 0.6277 0.4707 0.7173 0.6853 1.5471 1.0178 0.8534 1.1117 0.9801 1.0848 0.6799 0.7293 0.7961 0.7526 0.5531 1.6372 0.8047 1.8751 2.0569 0.5003 0.8674 2.9362 2.4746 0.9715 2.0897 1.3953 0.6259 1.4018 1.2283 1.1840 1.0000 1.9709 0.3624 1.2111 1.4755 0.2339 0.5883 0.3286 0.4348 0.3773 0.8623 0.7673 0.4077 0.3498 0.3680 0.4198 0.4405 0.4113 0.2112 0.8023 1.5262 0.3249 1.0396 0.4181 0.6950 0.6364 0.3453 0.4470 0.4546 0.4227 0.3084 1.0057 0.6839 0.5040 0.6526 0.3294 0.2785 0.5431 0.4815 0.4463 0.4290 0.3309 0.4337 sphinganine-1-phosphate 1.1929 1.0630 1.3383 0.9465 1.0041 0.5028 0.8329 1.1249 1.7333 0.7794 1.4947 1.3806 0.8453 1.0731 1.1599 0.8770 1.4454 1.4721 0.8438 0.9916 1.6066 2.1819 1.8096 0.4912 2.2112 0.8174 0.9376 0.9738 1.5091 0.8584 0.9472 1.8347 1.3744 1.3688 1.1645 0.9707 1.8115 1.2631 1.0992 0.6477 1.8803 0.5741 2.2955 2.0995 1.2366 1.0046 1.3551 1.2833 1.2495 1.7368 1.0945 1.5782 1.3807 0.7393 1.3347 1.0610 1.7130 0.6205 0.6729 1.0930 0.5875 0.9636 1.2337 0.9238 0.7628 0.9151 0.8933 1.2015 0.7866 0.8985 0.8667 0.8442 0.7898 1.1283 0.8801 1.4750 1.6566 0.5737 0.8111 1.5467 1.6217 1.0602 1.1049 1.3808 0.8333 1.2928 1.7114 0.9462 0.9050 1.1927 0.4267 0.9349 1.0000 0.3237 0.6321 0.7642 0.8550 0.7307 1.2689 1.1105 1.1441 0.7674 0.6975 0.8047 0.9069 1.0467 0.4276 1.2113 4.0034 0.4425 1.9232 0.9826 1.3047 1.2967 0.5674 0.7959 0.4165 0.6802 0.5870 1.5185 1.1894 0.8030 1.0747 0.6348 0.4268 0.9981 0.9230 0.6816 0.8417 0.4689 0.9607 sphingosine 1.5840 0.6825 1.6315 0.8655 0.3594 0.4596 0.6982 1.3954 2.1371 0.4206 2.0860 2.4036 1.2585 2.2110 1.9854 1.7193 1.3614 3.3599 1.0361 3.2005 2.1340 4.2272 6.8981 0.8997 3.8817 1.4779 1.9491 3.3930 2.2702 3.7855 1.9484 2.5158 2.8638 3.3597 3.2643 2.1864 3.8724 2.4453 2.8338 0.8876 4.3963 2.3006 4.2463 3.7587 2.1544 2.4114 1.8316 1.7570 2.0843 4.7807 1.5984 2.4879 1.4139 0.5029 1.0044 0.6410 1.2170 0.4678 0.4503 0.3290 0.7959 0.6608 1.6528 0.9429 0.8981 1.2979 0.8145 1.0360 0.6626 0.7195 0.7223 0.5727 0.6530 1.6916 0.9033 1.7540 2.1765 0.6164 1.2354 3.3282 2.2730 0.8710 2.2772 1.4472 0.5808 1.7071 0.6793 1.7863 1.1717 2.1444 0.2356 0.7681 1.6965 0.1709 0.7372 0.2352 0.2797 0.3084 0.8897 0.6985 0.3605 0.3057 0.3882 0.3176 0.2475 0.5344 0.1683 0.9766 1.6731 0.2604 1.0000 0.3861 0.5600 0.7576 0.2524 0.2801 0.5039 0.4109 0.2739 1.2322 0.5339 0.4829 0.6239 0.2476 0.2430 0.5205 0.3663 0.1800 0.2487 0.3111 0.5851 sphingosine 1-phosphate 1.0533 1.2216 1.1527 0.9389 1.3028 0.6681 0.9267 1.1131 1.3916 0.8500 1.2198 1.1952 0.8845 1.0274 0.9704 1.1404 1.0903 1.4952 1.1516 1.1781 1.3290 1.8654 1.6399 0.7343 1.6369 1.0087 0.9473 1.0577 1.2873 1.0306 0.9215 1.3321 1.3556 1.4011 1.2821 1.0626 1.5892 1.3817 1.2927 0.7927 1.8547 0.8937 1.3365 1.8949 1.1230 1.1317 1.0657 1.2375 1.2249 1.5733 1.3009 1.2442 0.9792 0.6759 1.1685 0.9837 1.2548 0.6200 0.8223 0.9675 0.7433 1.0232 1.4793 0.8113 0.7592 0.8492 1.0128 0.9795 0.7284 0.8225 0.7210 0.8166 0.6963 0.8526 0.8928 1.1766 1.2227 0.6338 0.9771 1.4447 1.3283 0.8809 1.0335 1.1235 0.7328 1.3362 1.4168 0.9994 0.8305 1.0007 0.5441 0.7415 1.2274 0.4232 0.7313 0.7112 0.8283 0.7906 1.0825 1.0742 0.9563 0.6581 0.8468 0.8193 0.8927 1.0398 0.4683 1.1486 2.2149 0.5057 1.2699 0.9258 1.0000 1.0052 0.5864 0.6526 0.7085 0.8764 0.6895 1.2634 0.9728 0.8224 0.9794 0.6839 0.5398 0.8985 0.8031 0.6938 0.8238 0.5995 1.0451 stachydrine 0.3719 0.0525 0.0286 0.0919 0.1069 2.1741 0.2038 1.1503 3.6888 1.2935 0.0381 1.0230 0.0411 0.4002 3.6209 0.7725 0.3958 0.2261 0.3750 1.2312 0.2017 0.0684 0.0740 0.4239 0.1917 0.5555 0.5014 0.0977 0.4442 0.0332 0.2869 0.8784 0.2066 0.0516 0.1838 0.1576 0.6356 1.6905 3.2105 0.1106 0.3809 1.2654 0.0249 0.2543 2.0713 3.9047 2.8406 0.4921 1.7671 1.7165 4.1008 2.6701 0.4092 5.4861 1.5849 9.8763 0.0357 4.7806 0.1537 17.1248 0.2775 1.4423 3.3542 2.9245 0.7216 1.9416 0.2423 1.1264 1.4063 1.3324 0.2816 1.1440 1.7782 1.7227 2.4393 3.0952 1.8667 0.4438 0.1440 0.0575 0.3352 0.8437 2.2872 9.8904 1.0000 2.4715 0.9100 0.2512 6.7331 2.3467 2.6865 4.1556 2.5862 0.3530 0.6839 2.4230 0.1380 2.8651 5.2988 5.2310 0.4693 2.3017 0.2904 1.1140 3.2717 6.2298 5.5061 0.6539 3.3225 1.7663 5.9789 0.0674 3.7501 3.8114 0.2647 10.3214 1.3909 1.1330 2.3472 0.3282 0.6396 0.0438 0.2035 1.1146 1.9765 0.1026 0.0888 1.4424 4.6837 0.0564 0.7002 stearate (18:0) 0.8967 1.2859 1.1851 0.8623 1.3269 0.8939 0.9341 0.9127 0.8937 1.2445 1.2104 0.8334 1.2005 1.2554 1.1978 1.1107 0.6021 0.8007 0.8808 1.0860 1.0805 1.0929 0.9736 1.1177 1.4942 1.0101 0.9163 0.9222 0.7331 1.0558 1.1481 0.7783 1.3224 0.9414 0.8798 0.8113 0.9568 0.7070 0.9309 0.9636 0.7677 1.1333 0.8771 1.0414 1.0139 1.0099 0.9123 1.1996 0.7064 0.7786 0.9191 0.6313 0.8086 0.9119 0.7188 1.2442 0.8519 0.9537 1.0099 0.9329 0.9163 0.8861 0.8163 1.0025 1.1483 1.0343 1.0251 1.0398 0.8979 1.1123 1.1538 0.9738 1.1261 1.0131 0.9862 0.5976 1.3374 0.9236 1.3299 0.6914 1.0324 1.1151 1.1977 1.0384 0.9984 0.7814 1.0840 1.0451 0.8716 0.8509 0.8275 0.6129 0.8904 0.6830 0.5476 1.4178 1.5628 1.1938 1.1924 0.9336 0.9524 0.9301 0.7463 0.9847 1.0289 1.1806 1.3773 1.0000 1.1001 0.9799 1.1810 1.1695 0.9155 1.1833 1.0254 0.9837 0.9842 1.0700 0.9530 1.1792 1.1912 1.2452 0.9869 1.0680 0.9796 1.3632 1.0687 1.2422 1.0353 1.0815 1.1273 stearidonate (18:4n3) 1.3207 1.4291 2.1365 0.9858 1.4206 0.8938 0.7189 0.9028 1.1435 3.0147 1.5908 1.2079 1.6432 2.2843 1.7724 1.7045 0.2993 0.5047 0.3811 1.7192 0.7946 1.1737 0.7513 1.9053 1.1579 1.0535 0.3148 0.7596 0.2484 0.4130 1.0379 1.6917 1.7875 0.7309 0.6291 0.5564 0.8885 0.6080 0.7027 0.8102 0.6029 0.9866 0.3616 0.8109 0.7982 0.3745 1.0450 2.4825 0.5383 0.5281 1.0805 0.3568 0.8370 0.3868 0.3522 1.1182 0.6894 1.1358 0.8987 1.2028 1.3538 2.5896 1.1953 0.4702 1.9219 1.4239 2.4631 1.9287 0.7203 1.8915 2.7152 1.8136 0.4398 0.9695 1.1118 0.3193 1.4140 1.2974 1.9781 1.4008 5.4190 0.8131 1.2971 0.7623 0.9664 0.2376 0.8366 0.9898 1.0522 0.4932 0.4742 0.1847 0.4765 0.5360 0.1847 1.3781 1.8221 0.7205 1.0040 0.5206 1.4415 0.6436 1.2406 0.5730 1.1639 0.6094 2.0710 2.0540 0.7175 1.4302 3.4967 0.9475 0.9960 2.0222 1.6604 1.5218 1.7028 0.7713 0.6797 1.0798 1.1120 0.9013 0.8347 1.0459 1.0792 0.8742 1.2216 0.5711 2.9753 0.7926 1.3008 stearoyl ethanolamide 1.9498 13.5472 10.1213 3.8273 1.8026 2.6361 3.7963 14.6326 12.5844 14.2780 7.1736 8.8054 9.3128 14.0788 6.2670 12.1823 4.2009 0.4818 0.4210 0.6731 0.4336 0.5911 22.2802 0.5387 5.2516 18.4548 0.4305 1.0804 37.5633 25.5431 0.6025 0.4340 0.7584 0.5893 0.4781 0.6303 0.4649 0.3787 0.5260 0.3842 0.3202 0.6170 0.5224 0.7083 0.4744 41.9177 1.9499 0.6736 2.7565 0.5188 0.5040 6.6674 3.0867 18.4723 4.3694 36.0960 11.0726 4.1058 18.5414 8.6245 1.3663 2.9249 0.5591 0.2995 15.3772 0.5132 0.5307 0.4419 0.2715 0.4868 0.5504 0.3733 0.4100 5.9287 0.3440 0.3508 0.6933 0.3327 0.5158 1.5390 0.5175 8.1604 0.3739 0.4133 3.2139 0.3615 13.8107 0.4097 0.4100 0.2953 0.3387 0.3000 1.2769 0.2737 1.1532 9.1945 1.5046 2.2537 6.6464 12.6141 1.0555 0.8267 0.5485 0.7541 1.0000 0.4853 0.7639 0.9015 1.3366 1.0553 0.6579 6.5476 6.8292 1.3201 0.8930 2.3206 0.8371 0.5208 0.5422 1.3131 1.0170 9.1741 19.6718 0.6415 1.8667 0.6811 2.2538 1.1250 0.6025 1.2989 0.5198 stearoylcarnitine (C18) 0.9494 1.2007 1.1967 1.2676 1.3858 1.0605 1.4516 0.8685 0.6877 1.1179 0.7557 0.7308 0.6492 0.6026 0.7525 1.2426 0.8621 0.7394 1.2019 1.1643 0.8597 0.8152 0.8684 0.6028 1.1856 1.9670 1.4225 0.6651 0.6948 0.9664 1.1409 1.2359 1.0986 0.8960 0.6914 1.0930 0.9661 1.4860 0.8933 0.6301 1.0431 0.8144 0.9125 1.1242 1.1077 0.7089 1.1580 0.4691 0.6151 0.6654 1.3438 0.8800 0.3666 1.4346 1.8159 1.4660 1.0745 1.6845 1.2114 0.6513 1.2176 1.0048 1.2068 1.4354 1.0564 1.2021 1.2664 1.0679 0.9975 0.5614 0.9593 0.8486 0.9119 1.0298 0.7286 1.7418 0.7731 0.8710 1.5896 0.8422 1.0000 1.2712 1.3295 1.2159 1.1796 1.0378 2.0132 0.8497 0.4988 1.2189 0.9691 0.6977 1.0904 0.7814 0.6473 1.0543 1.6256 0.6553 1.3213 1.3488 1.0882 1.9085 0.5864 0.8448 0.9361 1.0965 1.0986 0.8377 1.7389 0.9775 0.8965 1.0240 1.1038 0.8388 0.8127 0.5307 0.6356 0.9078 0.7186 0.6480 0.7815 1.1917 1.0199 1.1368 0.7369 1.1438 0.9258 1.4251 0.9372 1.0375 0.6113 stearoylcholine* 0.3046 3.0431 0.5946 0.4063 1.6737 0.0309 0.0487 0.0309 1.5784 0.0709 0.2038 1.0022 0.5599 0.3781 2.0552 0.8961 0.0449 0.4792 0.0340 0.2380 0.1902 0.7784 0.2235 0.1433 0.3729 1.1896 2.1108 0.2878 0.7655 1.8181 0.3043 1.8811 0.1022 1.8116 0.2863 0.6229 8.8089 1.0825 0.5763 0.0309 0.2225 0.5253 1.1299 0.6156 1.0475 0.1468 1.8225 0.0732 0.0309 0.9072 1.0376 0.6111 0.2903 0.8305 6.6606 4.9690 2.9268 1.2796 1.6076 1.2105 0.6612 1.3202 0.8181 1.4265 2.2198 3.7764 5.5474 1.3515 2.3243 0.8780 0.7890 0.0309 1.2547 0.7830 1.7907 1.4614 0.7381 1.9454 3.7886 7.6032 2.7289 1.8759 2.6788 5.1828 1.6638 1.7532 4.9326 6.4042 1.6382 8.8958 6.2405 0.5608 5.8382 0.9978 2.3270 1.6251 0.0631 0.2604 0.9947 2.5987 0.3292 1.5987 0.8446 1.1461 1.7651 0.0666 2.0345 0.4099 0.6823 0.4827 0.8151 0.2767 2.5575 0.0309 1.7402 1.5416 0.1892 0.0620 1.0895 0.6351 2.8365 0.4508 0.7295 0.7305 1.6182 0.8464 0.6673 3.5085 2.0286 0.3518 2.6732 suberate (C8-DC) 1.2904 2.1273 0.9529 0.9290 13.2265 1.7203 1.2056 4.1884 0.6704 1.2923 1.5863 1.7522 0.9227 1.1656 0.4702 1.7987 2.6066 0.4702 1.6496 1.0208 0.4702 1.0445 0.7786 1.2983 1.1810 1.1588 0.9301 0.9379 1.5922 1.7280 1.5079 0.6461 1.1414 1.1028 1.1726 1.0952 0.4702 0.4702 1.1057 1.3634 1.1244 0.6876 0.8869 1.4928 2.6038 0.9671 1.5818 4.7666 3.6572 1.7606 2.8973 0.9028 0.7676 1.1466 1.2386 0.6645 0.4702 0.8611 0.9722 0.6890 0.6944 0.7521 0.9080 0.8859 0.7852 0.6671 0.4702 0.5449 0.4702 0.4702 0.5266 0.9049 1.9370 0.9969 0.4702 0.4702 2.1160 1.8399 0.8519 0.9893 0.5530 0.8127 1.0000 0.7024 0.7889 0.7644 0.6382 0.9310 0.8384 1.1734 0.9910 0.7066 0.4702 0.4702 1.5667 1.8644 0.7197 0.7735 1.5701 0.7885 0.4702 4.1317 0.4702 1.1549 0.4702 1.8057 0.8460 0.7238 0.6927 0.6400 0.8279 0.7496 0.7703 1.0375 1.2899 1.8700 0.7416 0.8987 0.6426 0.9131 0.6787 1.1229 1.6745 1.0593 0.5350 2.2677 0.4702 1.7233 1.0089 0.6670 1.0699 suberoylcarnitine (C8-DC) 2.9807 1.1105 2.8012 0.1612 0.1612 4.2447 1.4008 0.3915 0.1612 0.5381 1.2628 0.6990 0.4296 0.9606 0.8144 2.0639 1.4350 0.1612 1.0320 0.1612 0.1612 0.1612 0.1612 0.8143 1.6135 0.2098 1.0201 0.5034 2.3284 0.3710 2.7966 0.1612 0.5573 0.8573 1.8640 1.5900 0.1612 0.1612 1.3916 1.2091 0.1612 0.4689 0.1612 1.8285 1.3062 0.1612 0.9169 5.4460 1.3913 1.0886 1.2989 0.1612 0.1612 1.2412 0.1612 0.1612 0.1612 0.6837 0.7373 0.1612 0.2465 0.1612 0.1612 0.8903 0.1612 0.1612 0.1612 0.1612 0.1612 0.1612 0.1612 0.1612 0.5807 0.1612 0.1612 0.1612 1.9038 0.1612 0.4395 0.1612 0.1612 0.1612 1.9654 0.5652 0.1612 0.5314 0.2910 0.1612 0.1612 0.1612 0.1612 0.1612 0.5273 0.1612 0.1612 2.1131 0.1612 1.4888 1.5933 1.8741 0.1612 0.4810 0.1612 1.5828 0.1612 0.1612 0.9069 0.1612 0.1612 0.1612 0.1612 0.5833 0.4292 2.6058 0.1612 0.5512 0.1612 0.1612 1.0052 0.1612 0.1612 0.1612 0.9948 0.9713 0.1612 0.6080 0.1612 2.4996 2.2815 0.7379 0.5804 succinate 0.9605 1.0373 0.8837 1.0254 0.8576 0.8333 0.7309 0.8427 0.8542 0.8156 0.9478 1.0793 1.0008 0.9602 0.8668 1.2182 0.8418 1.1738 0.8613 1.3454 1.0110 1.4266 1.6983 1.2005 1.8320 1.1367 1.8873 1.2649 1.1459 1.6829 1.0408 1.1461 1.8460 1.5078 1.7274 1.1272 1.4929 1.2167 1.4387 0.8695 1.4441 1.8496 1.3393 1.4403 1.6440 1.3412 1.2708 1.1383 1.2222 1.5543 1.2058 1.3631 0.6303 1.0976 0.9561 0.8171 1.0365 0.6989 0.7783 0.9487 1.0622 1.1050 1.2470 0.8322 0.7886 0.9718 0.9887 0.8459 0.7206 1.0406 0.7938 0.8298 0.7581 1.2578 1.1173 1.3235 1.2145 1.0293 1.2477 1.2970 1.5571 0.9947 1.5145 1.3649 1.2851 1.5064 1.6309 1.3211 0.9197 1.2412 0.6391 1.2794 1.3043 0.5278 0.8602 0.8273 0.8668 0.7179 0.8909 1.0000 0.7170 0.7444 0.8512 0.6112 0.5869 0.6958 0.5958 0.7446 0.9029 1.0366 1.2172 0.6816 0.8646 0.8822 0.7060 0.9783 0.9812 0.8478 0.7221 0.8281 0.7937 0.6870 0.6549 0.7566 1.0033 0.7528 0.7190 0.8764 1.0426 0.6610 0.8067 succinimide 0.7651 0.6860 1.0442 1.5358 1.3287 0.7923 0.7348 1.0648 0.3758 0.4766 0.8717 0.6473 0.6694 1.1212 0.6216 0.5995 0.8263 0.7877 1.0307 0.6959 0.8645 0.8468 0.8887 0.2849 0.8650 2.1422 1.6222 0.8048 1.0159 1.1602 1.0406 0.4895 0.7852 0.7084 2.3104 0.9904 0.7495 1.1152 0.5652 0.9564 2.1766 1.4032 0.8213 1.4408 0.7379 1.3413 1.2074 0.4031 0.6551 0.7340 1.2184 0.3692 0.9609 0.8563 0.9164 1.1082 1.3162 0.9730 1.5916 1.0460 0.8655 0.5209 0.3543 0.9593 0.7416 1.1176 1.0918 0.7925 1.2867 0.6322 1.3898 1.2958 1.2081 1.1704 1.9932 1.0000 0.5821 1.2187 1.0044 0.6552 1.9130 2.4062 2.3183 1.1111 1.2434 0.9368 1.1900 2.0077 1.3924 1.2626 0.7950 1.6134 0.8946 1.1117 1.2686 2.1529 2.7722 0.6346 0.9663 1.1470 2.0952 0.6667 0.8088 0.7990 1.5227 1.1374 1.3391 1.2465 2.1310 1.0067 0.6463 1.2798 0.8927 0.6628 1.3585 1.3174 0.6723 1.2310 0.9706 0.6632 1.2138 0.7733 0.7920 0.8191 0.5993 1.1483 1.0032 1.3724 1.1795 0.8623 1.0484 succinoyltaurine 1.5277 0.9192 2.1182 0.4717 0.5866 2.2754 1.1511 1.2031 1.0871 0.4144 2.1598 1.5397 0.7492 1.2328 2.0071 2.1971 1.4314 1.2884 1.5270 0.4989 0.6807 0.9386 0.9683 0.4400 1.0449 1.1102 0.8348 1.0955 1.5182 0.6247 1.7885 0.6927 0.5529 1.0081 1.1424 1.8014 0.9164 0.4174 1.2774 0.8611 0.5952 1.0861 1.0129 0.8338 0.9878 0.8464 0.8604 1.1328 2.6878 0.6018 2.8257 0.3251 0.4716 0.9259 1.4883 1.0637 0.5520 0.9296 1.8665 1.0355 0.6631 0.5302 1.1794 0.4118 0.3431 0.8902 0.4645 0.3469 0.2306 0.2885 0.7330 0.5974 1.1768 0.5448 0.9608 0.5476 2.4924 1.1241 1.0680 0.8432 0.4435 1.0000 1.0328 1.3524 0.5078 1.1245 1.4570 0.6309 0.8723 0.4940 0.6507 0.6282 0.5896 0.2328 0.5143 0.8769 0.5273 1.3344 1.6202 1.1924 1.1376 0.8046 1.3814 1.6916 1.5706 0.5948 1.3319 1.5475 0.9049 1.2532 0.7898 1.9860 1.2848 1.4341 0.9902 1.3787 2.2265 0.6734 1.9010 0.7269 0.3742 0.7882 2.0809 1.6810 0.4569 1.1800 1.2077 2.4127 1.7810 1.5344 1.1866 succinylcarnitine (C4-DC) 1.1422 0.6979 1.3816 0.8717 1.4013 1.5557 0.6782 1.1336 1.0480 1.2012 0.7811 0.9939 0.9963 1.0037 1.8959 2.3565 2.9978 0.9213 1.5416 1.5836 1.1669 0.7362 1.3970 1.2792 0.6211 1.7427 1.2309 0.7153 0.7171 1.0601 1.3982 1.4306 1.9138 1.2263 1.2637 1.1266 0.9307 1.2524 1.3536 0.8818 1.5516 1.0506 0.8517 0.8725 1.4766 0.6604 1.1010 0.4570 2.3785 1.1181 1.1792 0.9062 0.4330 0.6422 0.4763 0.7215 0.9655 0.4763 0.2507 0.8974 1.3122 1.3305 0.7361 0.6710 0.6637 0.5943 1.3936 0.8226 0.3702 0.2507 0.5373 1.2963 0.4022 0.2507 0.8250 0.8902 0.7255 1.0912 0.4521 0.8884 0.8398 0.6490 0.3237 1.0968 0.7348 0.7442 0.9095 0.6610 0.5425 1.2565 0.6321 0.5831 0.7645 0.6452 0.5288 0.9472 0.8530 1.5493 1.2249 1.3850 2.7281 1.4818 1.5264 1.1793 1.3953 0.7385 1.1254 1.4183 0.9265 0.9340 0.9420 2.2224 0.8616 1.4660 0.2507 1.3266 2.6898 1.1925 1.4508 0.9780 0.8653 1.0480 0.7843 1.1861 1.1514 0.7239 1.0045 2.1458 1.2655 0.7984 1.1571 sucrose 1.5436 0.3781 0.1600 2.1638 0.7160 6.3598 2.1251 3.5319 0.1600 10.0139 0.1600 0.5239 0.6130 0.5963 0.5898 0.1600 3.7421 0.1600 3.9649 0.6140 5.4788 0.1600 3.7041 3.1229 0.1600 0.7199 0.1600 0.2134 0.1600 0.1600 1.0125 2.0036 2.2351 0.1600 0.1600 0.1600 1.3492 0.2033 5.3980 0.3203 0.1600 6.9297 0.1600 0.1600 7.2793 0.1600 1.7512 0.1600 0.8605 0.1600 2.7652 1.3402 2.4534 6.4469 1.1907 1.6057 0.9875 0.7112 0.1600 1.0334 0.7887 0.3729 0.5019 8.2818 0.1600 1.8619 1.1022 0.6898 0.6378 1.1405 0.6810 0.5143 0.1600 24.8215 0.1600 0.1600 5.3995 1.5566 1.0331 1.7959 0.5779 1.3026 0.2995 1.1380 1.6206 0.5459 1.1762 0.1600 0.2876 0.3648 0.7171 0.1600 0.1600 0.1600 6.1182 0.5178 0.4567 0.1600 0.5318 0.9550 0.5343 1.6559 0.1600 0.1926 0.1600 0.6895 0.1600 0.7584 0.2805 0.4592 0.1600 0.1600 2.5833 0.2059 0.1600 3.0562 1.0769 0.1600 0.4235 1.1554 0.1600 0.4078 0.3963 0.2106 0.3351 0.5628 0.1600 0.9294 3.2068 0.1600 0.1600 sulfate of piperine metabolite C16H19NO3 (2)* 0.2227 1.6527 0.2181 2.6994 5.0412 0.2283 1.7563 2.4882 1.1604 4.7626 0.2169 1.2127 0.6587 0.7065 0.2873 0.0730 5.5887 1.6977 1.8136 2.7912 2.1012 0.2460 0.5216 0.8552 0.4878 1.7151 1.8260 1.3128 0.1778 0.4885 0.2330 1.1152 0.6370 0.0730 0.7865 1.5607 0.5492 9.7962 0.3480 0.0730 2.9459 0.6001 0.3540 1.1269 2.6041 0.3124 0.7008 2.7499 2.0361 0.5288 0.9896 5.0260 1.4657 3.0845 1.2318 1.8005 0.4841 0.6733 1.0214 0.6008 2.6856 5.3600 0.2756 4.0596 1.9792 0.0730 4.5508 0.6902 0.6778 2.9087 1.6358 0.4445 0.7955 0.8592 0.9390 6.8586 0.2496 0.8177 0.2118 1.0568 3.5687 0.9722 2.1550 0.6938 0.1077 1.2265 1.9762 2.7910 4.5375 0.0730 1.0513 0.6020 0.4693 0.3453 3.5374 1.9166 1.8320 0.6168 0.3462 0.7603 0.5741 1.0000 0.7370 0.9759 1.2601 0.5006 0.7490 1.7005 6.2582 0.8068 2.7237 0.9089 3.1872 0.3346 2.2411 1.1759 2.3676 4.7949 0.8589 0.4289 0.7438 0.2819 0.2097 1.0382 1.7734 1.3155 1.5667 2.0422 0.6148 0.2650 0.7194 sulfate of piperine metabolite C16H19NO3 (3)* 0.2468 1.5796 0.2275 2.9844 6.8249 0.3013 1.7089 2.7711 1.0950 4.2391 0.1943 1.1915 0.5372 0.8024 0.3094 0.1263 5.7325 1.5883 1.6375 2.4258 2.3930 0.2233 0.4868 0.6947 0.4015 1.5636 1.9889 1.0954 0.1863 0.5340 0.2371 0.9580 1.4368 0.1263 1.0137 1.6428 0.5159 9.1883 0.2783 0.1263 3.1129 0.6591 0.2956 1.0354 2.7582 0.3617 0.7208 2.3618 2.0705 0.8198 0.9203 4.7415 1.3639 3.2308 1.2059 1.7898 0.4156 0.5762 0.9863 0.5934 2.7830 4.9635 0.2095 3.8873 1.8709 0.1263 4.4192 0.5654 0.6286 2.6735 1.4430 0.5369 0.7070 0.7278 0.9586 6.4048 0.2315 0.7156 0.2910 1.0409 4.2461 1.1117 2.2289 0.6819 0.1263 1.3569 1.9331 2.7487 4.5627 0.1263 0.9671 0.6332 0.3836 0.2897 3.1927 1.9280 1.6378 0.5982 0.3972 0.8222 0.5763 0.9648 0.8201 0.9544 1.1467 0.4232 0.6345 1.4781 6.1162 0.7322 2.4793 0.8691 3.4368 0.3614 2.2054 1.1933 2.2747 4.8146 0.7884 0.4012 0.6997 0.3143 0.1731 1.1682 1.6802 1.3690 1.5299 1.8539 0.6541 0.2690 0.5955 sulfate of piperine metabolite C18H21NO3 (1)* 0.1299 0.8399 0.1299 1.3357 3.3891 0.1299 1.7239 1.9032 0.5135 3.6950 0.1299 0.5618 0.3893 0.3983 0.3702 0.1299 3.5540 1.5386 2.7875 1.6247 1.7071 0.1299 0.2567 0.3601 0.1299 0.5716 1.1288 1.3124 0.1299 0.2418 0.1299 0.9311 1.4018 0.1299 1.0019 1.4342 0.3344 4.0218 0.1299 0.1299 2.2547 0.7345 0.2235 1.9124 1.7081 0.2083 0.4171 1.4861 0.8670 0.3675 0.6842 3.1010 1.6467 3.7395 1.2857 1.7907 0.2759 0.1299 0.6948 0.5739 1.9953 2.5328 0.1299 3.2131 1.9485 0.1299 2.1937 0.2792 0.7130 1.7039 0.4975 0.2924 0.8823 1.3497 0.4196 3.8924 0.3705 0.4411 0.2353 1.0393 1.9443 0.5671 1.3219 0.3772 0.1299 0.7914 2.3393 1.8357 3.0189 0.1299 1.0116 0.3107 0.5704 0.1299 1.8624 2.0882 1.1735 0.8389 0.2307 0.5760 0.4525 0.8810 0.3343 0.3342 3.3721 0.3287 0.2013 0.9315 4.8099 0.3011 2.3225 0.3748 2.3941 0.1299 1.3904 0.9981 2.9145 2.0421 0.7747 0.5523 0.4999 0.1299 0.1299 1.2394 1.2356 1.1274 1.1605 2.2065 0.3109 0.1299 0.2857 sulfate of piperine metabolite C18H21NO3 (3)* 0.1944 0.9247 0.1944 1.5150 3.4222 0.1944 1.3945 1.9740 0.6105 3.4153 0.1944 0.4810 0.4530 0.4088 0.5779 0.1944 3.5765 1.5338 2.3588 1.2681 1.7328 0.1944 0.2715 0.5459 0.4351 1.0603 1.2629 1.2136 0.1944 0.4653 0.1944 0.9859 1.6287 0.1944 1.0055 1.3309 0.3954 4.0698 0.1944 0.1944 2.1092 0.7268 0.1952 1.5959 1.6159 0.3212 0.3828 1.1976 0.7875 0.4552 0.7003 3.1531 1.5620 3.5996 1.2897 1.7065 0.4199 0.1944 0.6077 0.4564 1.9524 2.5181 0.1944 2.7756 2.2064 0.1944 2.2488 0.3344 0.9171 1.4874 0.5858 0.3292 1.0000 1.0925 0.7797 4.1028 0.5426 0.5428 0.2949 1.0689 2.0774 0.7065 1.1304 0.4070 0.1944 1.1104 2.3519 1.8073 3.1429 0.1944 0.8799 0.3912 0.7760 0.2935 1.6697 1.8020 0.8344 0.8389 0.3677 0.5433 0.2744 0.8447 0.4306 0.3655 2.8499 0.1944 0.4399 1.0128 4.7629 0.5103 2.1142 0.4742 2.0888 0.1944 1.4699 0.8355 3.3448 2.0623 0.7261 0.4887 0.6629 0.2278 0.2000 1.1669 1.2860 1.0504 1.2753 2.0491 0.4070 0.1944 0.4547 sulfate* 0.7263 0.8455 1.0663 1.0471 1.5761 0.7678 0.9163 1.0330 0.9590 0.9959 1.2621 1.1779 1.0379 0.8710 1.5563 1.3325 1.5160 0.9817 1.6293 0.7906 1.1117 0.8329 0.7939 0.8299 1.4761 0.8900 1.3534 0.9450 1.0344 1.1092 1.0334 1.0003 0.8857 1.2440 1.2165 1.2081 1.0696 0.9600 1.2353 0.6628 0.8948 1.3012 0.7825 1.0486 1.0523 0.8898 1.1767 0.9105 1.9570 0.9582 0.8623 1.0088 0.7217 0.7997 1.1261 1.1681 1.2384 0.7485 0.9455 0.5587 1.1066 0.8886 0.8359 0.7597 0.8517 0.8790 0.8199 0.8873 0.8538 0.8146 1.0628 0.7434 0.8327 0.9579 0.8422 1.0585 0.6785 0.9062 1.0015 0.8731 1.0568 0.9761 1.0000 0.8654 0.9445 0.9977 1.0799 0.9443 1.1358 0.9345 1.3599 0.8772 1.1465 0.8540 1.2897 0.9784 0.9077 1.2659 0.9159 1.0999 1.1907 1.1581 0.8357 0.9783 1.1485 0.8793 0.9325 1.0053 1.2655 1.3050 0.7391 0.9272 1.3450 0.8676 1.0557 1.2431 1.6471 1.0668 1.1019 1.1266 1.0358 1.0406 1.0832 1.2184 1.0143 1.2050 1.0105 0.9569 1.2649 0.9655 0.8429 tadalafil 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 tartronate (hydroxymalonate) 0.5464 0.4858 0.8424 1.0214 0.6962 0.0756 0.6311 0.0756 1.2517 0.5137 0.9970 0.7664 1.2639 0.3705 1.2122 0.9159 0.6328 0.8584 0.5888 0.1830 1.0758 1.2915 0.6959 0.0756 0.6902 0.9250 0.5603 1.0310 1.5216 1.2281 0.8633 0.7570 0.3166 0.6912 0.9308 1.2274 1.3815 0.5826 0.5626 0.0756 0.3724 0.5613 0.9619 0.9396 0.9615 1.2582 0.8718 0.2036 0.0756 0.9322 0.3086 0.8807 0.7914 0.7770 1.3327 1.7143 1.5706 2.0512 1.7543 2.2517 0.8915 0.8943 1.0000 1.2148 0.7480 1.0422 1.2242 0.4663 1.1432 1.4982 1.1736 0.8073 0.6315 1.1660 1.3699 0.7311 1.0190 0.7140 1.8550 1.0989 1.3545 1.2381 1.6270 1.2983 0.8406 1.5138 1.6903 1.4735 1.4460 0.9238 1.7410 0.9522 0.8238 1.0412 0.8049 1.5302 0.4980 1.2050 1.2374 1.2165 1.4809 0.5580 0.4374 0.8824 1.9590 1.1591 1.5821 0.9828 2.2588 0.8692 1.6640 1.3041 1.2081 0.8439 1.1583 1.9659 0.5788 0.8885 2.1247 2.2495 1.7686 0.6368 1.3975 1.4388 1.6112 1.2971 1.2962 1.1558 0.9120 0.8215 1.1570 taurine 0.9353 1.1672 1.3273 0.7366 1.0076 0.4591 0.8061 0.7602 0.7781 0.6508 0.9819 0.9193 0.9784 0.8071 1.0880 1.1951 0.7574 1.2027 1.0685 1.0411 1.2034 1.4820 1.4276 0.7301 1.4428 0.8827 0.9009 1.1101 1.1163 1.1305 1.1175 1.2299 1.0028 1.5180 1.0285 0.9434 1.3860 1.0055 1.0862 0.8712 1.2104 0.7412 1.2450 1.4936 0.9019 0.9311 1.1649 1.1387 1.4184 1.0805 0.8776 1.1285 1.0000 0.6649 1.0107 1.1077 0.9049 0.8557 1.0344 0.8545 0.9676 0.9128 1.2432 0.8562 0.9782 0.8960 0.9816 1.0040 1.0436 0.8192 1.0566 0.8303 0.7027 1.2588 0.9431 1.1551 1.0181 0.7760 1.1626 1.4053 1.2719 1.0622 1.5531 1.1900 0.6780 1.2530 1.6327 1.3924 1.1305 1.0890 0.6367 0.7651 1.2825 0.5483 0.9820 0.7567 0.4722 0.7129 1.7051 1.1525 0.9056 0.9170 0.7561 0.6480 0.8836 0.9777 0.6303 1.3346 1.8385 0.8675 1.5528 0.7009 1.2929 1.0952 0.6816 0.6920 1.3251 0.7019 0.8049 1.3849 1.0599 0.7033 1.0754 0.8108 0.5747 0.9012 0.7553 0.5735 0.8770 0.8964 1.0484 taurochenodeoxycholate 0.7814 2.6035 0.3354 0.9197 3.8045 0.2915 0.8430 2.8526 0.2900 4.3800 7.4426 4.6219 1.6472 4.1034 0.6610 1.4788 28.3052 0.9792 0.8324 1.5175 1.5462 4.2225 3.0172 0.1192 0.6308 1.9503 5.7115 2.8959 13.9846 0.5076 1.9171 0.3857 2.5891 0.6835 1.0545 0.8598 0.1192 0.6785 0.5573 1.0000 2.5233 0.2283 0.1192 1.1641 4.5163 0.2138 0.3930 0.6352 15.5476 1.1646 0.4713 1.5013 2.1457 2.0466 0.4406 0.2128 0.9419 0.1752 0.1785 0.4545 1.6499 1.8024 0.5322 0.6374 1.2645 0.2466 1.0189 0.3636 0.5584 2.6658 0.2200 0.1510 0.2517 11.0411 1.9402 1.2354 2.1946 0.3053 0.3340 0.9599 0.5694 0.3112 1.9634 0.8337 2.8652 1.3913 1.8719 0.1192 0.9621 0.1192 0.3064 0.6486 12.0330 1.4289 4.0373 0.2051 0.6439 0.6061 0.5807 5.4404 1.3033 5.6995 0.7505 3.1891 2.7331 0.2922 0.8745 2.8894 2.8588 0.8396 2.2705 0.9683 3.2358 0.7494 4.8037 19.3385 0.6214 3.6103 2.3989 9.3405 4.2115 0.6274 0.9817 0.6470 0.2456 1.4892 0.3520 3.8560 6.9908 0.5214 0.6105 taurochenodeoxycholic acid 3-sulfate 0.2203 0.4637 0.2203 1.1595 1.4738 0.2203 0.2830 2.0824 0.2203 1.4830 2.7797 1.1731 0.9148 1.1253 0.2203 1.0826 12.2938 0.7398 0.8410 0.3441 0.2203 0.9914 7.5525 0.2203 1.9050 0.5665 1.2257 0.8390 11.8436 1.1273 0.4796 0.2203 0.2203 0.2203 0.3423 0.5643 0.2203 0.2203 0.2203 1.3646 0.2203 0.2203 0.2203 0.8752 0.5076 0.2203 0.4834 0.2203 7.2345 1.0593 0.2203 0.2203 6.1783 1.2426 0.5711 0.2203 0.2203 0.2203 0.2203 0.6324 0.2203 0.8166 2.7710 0.8514 0.2203 0.6481 0.2203 0.2203 0.2203 0.8692 0.2203 0.2203 2.4636 1.5964 0.2203 1.2683 3.1058 0.2203 0.2203 0.4480 0.2203 0.6931 2.5769 0.3905 1.6664 1.1193 1.7563 0.2203 0.2897 0.2203 0.2203 0.2203 0.7005 0.2203 1.0890 0.2203 0.5231 0.2203 0.2203 0.3549 0.2203 2.3349 0.2203 0.7990 0.2203 0.2203 1.0436 0.6491 1.0604 0.2203 0.2203 0.8159 0.3478 0.2203 0.2697 2.4198 1.1806 1.3662 1.0000 6.3848 0.3961 0.2203 1.0707 0.2924 0.2203 0.2203 0.2203 1.0220 0.4056 0.2203 0.7179 taurocholate 0.2831 1.0649 0.1599 0.5375 0.9534 0.4826 1.6653 1.0064 0.4901 3.2510 4.8610 3.0835 0.3887 3.9098 0.1599 3.0030 17.9111 0.6105 0.8570 1.0834 0.3614 15.0855 4.2282 0.1599 0.2954 2.4342 3.7544 7.3971 6.0015 0.6005 2.5192 0.1599 0.8626 1.2495 0.9936 0.1599 0.4821 0.4441 0.6492 0.4138 1.2679 0.1599 0.4115 1.7087 6.9629 0.1599 0.4075 0.5155 10.8561 2.3642 0.5836 0.9765 2.0703 6.6963 0.4393 0.1599 0.1599 0.1599 0.1599 0.1599 0.8599 1.6216 0.1599 0.1599 1.6701 0.3016 0.3375 0.1599 0.1599 0.8106 0.1599 0.1599 0.2459 5.8462 1.2723 0.4866 4.0416 0.1635 0.1599 0.3741 0.1599 0.1599 2.3997 1.1009 3.1785 0.6984 2.2727 0.1599 0.7447 0.1599 0.2859 0.2521 4.0578 0.7925 3.4051 0.1599 0.3180 0.6712 0.3979 12.5672 0.5450 2.4990 0.3046 2.4287 1.8525 0.1599 0.3680 2.8789 1.6280 1.2327 7.5175 0.7880 1.6780 0.8510 3.2497 19.9534 0.4997 1.9693 3.5209 15.8584 4.6498 0.3563 0.2203 0.5428 0.6144 1.1644 0.4904 2.4636 0.8867 0.1599 0.4758 taurocholenate sulfate* 0.4984 2.3476 0.3968 0.6081 1.0660 0.2204 0.5532 1.3280 0.4857 1.2031 2.4580 1.6065 0.6047 1.0408 0.9885 1.5175 4.2760 0.9332 1.0785 0.8748 0.8526 5.3947 1.4578 0.4880 5.8112 1.2056 1.1614 1.2679 2.2890 0.7258 0.6545 0.5108 0.7578 0.5766 0.8350 2.4799 0.4679 0.9238 0.3983 0.9923 0.3830 0.1478 2.2896 4.3815 1.0133 0.4760 0.2673 0.4159 3.5625 0.5575 0.6212 0.2429 3.1890 1.0057 0.8164 0.7142 0.4869 0.5234 1.1640 0.8462 0.3347 0.3862 2.4314 1.6717 0.5029 0.6556 0.7814 0.4234 0.4638 1.5703 1.0694 0.6846 2.0732 1.0000 0.9941 1.2430 0.7719 0.7918 1.1355 0.8775 0.8507 1.5161 2.6243 0.7307 2.1028 1.0186 1.3863 1.1614 1.6089 0.2625 0.6500 1.4793 0.5876 0.5968 0.7151 0.5690 1.1418 0.7466 2.6607 1.1996 0.6276 2.2260 0.9316 3.5096 1.0120 0.5112 1.7738 1.3582 1.0583 1.9594 0.7777 1.4623 2.5322 0.8877 2.4702 1.8510 2.5615 1.1660 2.0879 4.6162 1.1003 1.0338 1.7558 0.9132 1.1338 0.5237 0.9456 1.7844 0.4603 1.2941 4.2086 taurodeoxycholate 0.4695 0.1516 0.1516 0.4419 1.8935 0.3903 1.7276 2.0149 0.6870 5.2813 9.4040 3.6500 3.1503 2.5853 0.8465 1.2786 0.1516 1.6415 0.4369 0.4168 2.4965 12.4575 1.0000 0.2270 0.1516 0.6873 3.9985 1.3280 0.1516 0.1516 0.1516 0.2383 1.3789 0.5005 0.5505 1.5905 3.0989 0.5936 0.1781 0.7101 0.9664 0.3766 0.1516 1.0095 11.5486 0.6955 0.3105 0.1516 12.8604 1.1011 1.0688 1.9975 0.1516 2.5489 0.3088 0.3330 1.5919 0.1516 0.4170 0.2701 0.9575 1.4410 0.5321 0.1516 1.7796 0.2578 0.8977 0.4295 0.2091 2.5701 0.4835 0.2966 0.2080 0.1516 2.1941 0.9096 2.3673 0.2466 0.3390 0.5996 0.3928 0.2630 1.3996 0.6067 0.7373 0.4941 0.6043 0.5297 1.5981 0.1516 1.2405 1.1321 0.1516 0.9006 5.1774 0.5883 0.8970 1.5334 0.9092 3.8868 0.1516 7.8412 0.1516 1.9818 1.8196 0.3516 0.8364 3.8314 1.8599 2.4620 0.9212 0.8281 4.0488 0.1516 7.2736 16.2931 1.3419 2.3606 1.2163 9.4507 3.1437 1.0730 0.4795 0.1516 0.4225 1.4519 0.3507 1.7730 1.3466 0.6498 1.4650 taurodeoxycholic acid 3-sulfate 0.2691 0.2691 0.2691 0.6198 0.7297 0.2691 0.6181 2.4747 0.4871 2.8737 5.2979 3.3131 1.7069 0.8355 0.2691 0.8987 0.2691 1.1361 1.0000 0.2691 0.2691 3.8830 2.4853 0.2691 0.4803 0.3301 1.0622 0.5739 1.9662 0.2691 0.2691 0.2691 0.3269 0.2691 0.4618 2.6211 0.5386 0.2691 0.2691 1.1615 0.2691 0.2691 0.2691 1.2473 5.7421 1.2663 0.4390 0.2691 7.1757 1.0704 0.2691 0.2691 0.2932 1.1938 0.6483 0.2691 0.2691 0.2691 0.4762 0.6666 0.2691 0.7182 2.5371 0.4928 0.2691 0.9210 0.2691 0.6541 0.2691 2.0510 0.7053 0.2691 2.1623 0.2691 0.2691 0.9372 7.1389 0.2691 0.5702 0.7818 0.2691 1.5658 3.4967 1.2072 1.6315 2.3767 0.3658 0.7037 1.4485 0.2691 0.7542 2.9681 0.2691 0.6452 2.9910 0.2691 1.3076 0.5222 0.8152 0.2691 0.2691 10.0530 0.2691 0.8421 0.2691 0.2691 1.3393 0.8846 0.9077 0.2691 0.2691 0.6136 0.8526 0.2691 1.6103 2.3561 1.9102 1.1783 0.8943 13.6332 0.7045 0.2691 1.2948 0.2691 0.2691 0.2691 0.2691 0.4823 0.2691 0.2691 2.1390 taurolithocholate 3-sulfate 0.2263 0.0896 0.0896 0.9804 1.2329 0.1808 0.3782 2.8344 0.3106 2.0336 3.7642 1.7478 3.6422 1.4856 0.4880 3.1781 0.2382 1.0765 2.2757 0.1024 1.0690 6.2670 0.8693 0.2428 1.1602 0.2129 3.6561 0.4093 0.9622 0.0896 0.0896 0.2477 0.3963 0.3082 1.2944 3.5902 0.9390 0.3554 0.0896 0.8344 0.1327 0.1506 0.4399 1.5574 1.6545 1.7110 0.5216 0.1210 11.1691 0.7392 1.1645 0.4140 1.1165 0.6574 0.6784 0.6556 1.9267 0.0896 0.8260 2.2171 0.4804 0.9265 4.9928 0.4649 1.0343 0.8629 0.4881 0.7293 0.6651 1.6054 1.3142 0.2962 1.1856 0.5074 0.8889 2.2252 1.7890 0.3272 1.3558 0.7230 0.7208 2.7947 4.8590 0.4105 5.8866 0.7208 1.6959 0.6610 2.4342 0.2132 1.8133 1.3183 0.7143 0.7829 2.3287 1.1076 2.8129 0.8254 1.6764 0.9128 0.0896 5.1894 0.1867 3.5476 0.3756 0.5400 1.6314 1.3936 1.5514 2.6062 0.5865 2.0770 1.8922 0.0896 3.7910 2.6278 3.0329 1.3826 1.3898 5.6759 1.0196 0.8947 1.1955 0.2311 0.6112 1.3436 1.0235 0.8370 0.7364 0.5205 3.7177 tetradecadienedioate (C14:2-DC)* 0.6267 2.2044 0.8723 0.3596 0.8881 0.5473 1.3559 0.7667 0.4096 1.4864 3.4984 1.0925 1.7898 3.0661 0.2827 1.6706 0.2048 0.7153 0.8064 1.2261 0.2048 0.9190 1.1864 0.4624 1.1891 0.5117 0.4509 1.3342 1.2982 0.6979 0.2048 1.0937 0.4552 1.5495 2.0809 1.2140 1.0569 0.2625 0.7495 1.1733 0.2048 1.5417 1.6591 0.3624 1.3713 0.5947 0.6620 3.5988 2.0929 2.9407 0.2048 0.5933 0.9212 0.7660 0.3348 0.8504 0.2048 1.7364 1.2206 0.3928 0.4336 0.5680 0.2951 1.1759 1.1082 0.2048 0.2048 0.9713 0.2784 0.4492 2.0809 1.2435 1.1456 0.8783 0.5617 0.2048 1.1666 0.6281 0.2048 0.3696 1.7889 1.2290 0.8457 2.0923 0.9706 0.6052 0.5986 1.2014 0.5989 0.2048 1.1335 0.5701 0.5210 0.2048 0.2847 2.7437 0.2048 0.8269 1.4761 0.2048 0.2048 0.3529 0.2048 1.4093 0.4106 0.6615 1.2165 1.1525 1.6168 1.6636 1.2198 1.2137 0.6287 1.3481 2.0789 4.2504 0.2768 0.2354 0.8316 0.2219 0.2891 1.2573 1.2385 1.0287 0.6274 2.1183 2.0166 1.3023 2.8492 1.4368 0.6879 tetradecadienoate (14:2)* 0.8711 1.5603 1.1573 0.7850 1.0192 0.6061 0.7935 1.1675 0.6734 1.2625 1.8001 1.0000 1.5673 1.4201 1.0564 1.2948 0.4249 1.0712 0.6208 1.5774 0.5598 1.1626 1.6683 0.8982 1.3145 0.8850 1.1664 0.7962 0.8340 0.7457 0.5975 0.5772 0.8201 2.4211 0.9930 0.8431 1.4326 0.5887 0.5069 1.0259 0.6317 1.5337 0.7577 0.9867 0.6416 0.8815 0.5873 1.3932 0.5809 0.9924 2.3009 0.2852 0.8246 0.7571 0.4512 1.2214 0.7189 1.3580 1.3297 1.9691 0.6016 1.6799 0.9918 1.1643 0.8501 0.6805 1.7482 1.9310 0.5441 1.9289 2.9683 1.9133 0.8185 1.4934 1.1803 0.3234 0.9703 1.0891 1.5409 0.7303 1.3207 1.7083 2.4647 0.9798 0.9789 0.5836 1.1913 1.0979 0.9720 0.3318 0.8801 0.8746 0.5936 0.9080 0.1445 1.3624 6.1141 0.6195 1.5522 0.8446 1.2370 0.5451 1.0286 1.3104 0.7291 1.5756 1.0346 1.2198 1.0711 1.7910 2.0230 0.9848 1.0670 1.1945 1.8771 2.4456 0.4546 1.0559 0.8881 0.7812 2.4644 1.7979 0.6004 0.9510 0.7458 1.7431 0.8645 1.0091 3.0533 1.1519 0.6604 tetradecanedioate (C14-DC) 0.8955 1.2983 0.9005 0.7724 1.1365 1.4714 0.8173 0.6707 0.5462 1.0749 2.3921 1.1710 1.0273 2.1346 0.5892 1.2891 0.7674 0.5629 0.6644 1.5968 0.6455 1.4212 1.1473 1.6262 1.9632 0.8429 0.7608 1.7702 0.9585 1.0221 0.7888 0.7835 1.1698 0.7033 0.8666 1.5929 0.5329 0.4386 0.9367 1.4600 1.0240 1.1054 1.2737 1.4246 3.8770 1.0933 1.0682 8.2623 0.6501 1.1716 1.0913 0.3277 0.9169 0.7343 0.5406 0.8777 0.6486 1.3653 1.6529 0.4744 0.7864 0.6090 0.6600 2.1413 1.0538 0.8942 0.4524 1.0043 0.4799 0.9153 2.2109 1.6560 1.2872 0.7729 0.3744 0.6164 2.9638 0.7505 0.8511 0.5916 1.5629 1.2126 1.0794 2.7251 2.4787 1.5122 0.7812 2.4584 0.4802 0.4938 0.8243 0.7925 1.2756 0.3388 0.3277 2.4266 1.0629 1.0641 1.0735 0.5838 0.9176 1.5933 0.6322 2.3141 0.4895 0.8421 1.9348 0.7530 0.9744 1.1017 1.2597 0.8956 0.9496 1.8874 0.9874 1.4998 0.3663 0.7098 0.8491 0.9938 0.7177 1.3989 1.0364 1.2286 0.6170 1.6451 1.5546 1.1067 1.1139 0.9957 1.3809 theanine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 theobromine 2.4658 1.0357 0.6741 0.1166 0.0941 2.3578 3.6467 1.6270 3.3733 2.7498 3.0470 0.8305 3.0079 4.5529 0.4787 1.3683 0.0203 3.2614 0.1293 3.1665 2.1141 0.6725 1.1285 0.5686 1.4677 1.5057 0.0759 0.5500 0.4977 0.2440 0.4743 1.4879 0.1931 1.5377 0.6409 1.5398 2.5275 0.3922 1.3692 0.0580 0.2899 0.3930 1.5396 1.4862 2.5820 3.1318 0.9786 0.0292 0.7555 1.4690 2.4079 4.4527 4.4036 0.7418 2.8555 1.4859 1.8501 1.8471 1.0691 0.3554 2.4971 3.0775 3.4348 2.6969 1.4191 2.1148 2.6193 0.9462 0.5511 0.5763 2.7773 0.2503 1.1059 1.0000 0.5734 0.7463 2.6152 1.4197 3.2667 4.2203 3.2567 1.7448 1.6508 0.8062 1.7699 0.4586 0.7091 1.3800 1.2165 3.4142 3.5140 0.3941 1.0114 0.9694 9.9678 1.4675 0.2116 0.1268 0.4666 0.8792 1.0865 0.5155 2.8743 0.7396 0.8365 0.4025 0.4931 0.7652 0.3791 0.6976 0.5752 0.0086 2.7515 1.3047 0.5653 0.8333 0.8207 0.3225 0.2020 0.6553 0.1473 0.5302 0.0814 0.6556 0.1783 0.1983 0.2164 0.5043 0.9351 2.6968 2.2896 theophylline 1.2854 0.8960 0.0827 0.1458 0.1630 1.3259 1.9263 2.8026 4.9747 1.3242 4.3921 4.2426 0.2890 2.3432 0.2638 0.3874 0.1164 0.3331 0.2316 2.4201 0.1655 0.1518 2.2089 0.5783 0.0790 0.2051 0.4331 0.1638 0.1557 0.0790 0.3804 2.2722 2.9740 0.7293 0.0836 1.6309 2.4717 0.0790 0.5978 0.0790 1.2589 0.5160 0.1331 0.1861 1.0364 0.3587 1.2918 0.2514 1.1820 1.0000 2.6850 3.0090 1.3817 1.2407 2.3703 2.4894 1.4457 0.5978 0.3806 0.1145 0.9740 1.8911 1.3285 0.1412 2.3478 0.7242 0.1581 0.3742 0.4915 1.8447 2.0139 0.5293 0.4671 0.7275 1.7982 2.4985 5.2910 2.9915 2.8926 1.2085 4.5482 3.1220 5.2636 1.1561 1.6127 0.0790 0.5925 0.1026 8.4427 0.4069 0.9841 2.7325 0.2912 0.8259 0.5787 5.2522 0.1438 0.3663 0.7182 0.1987 3.6968 1.3204 0.2764 2.8234 2.6939 1.4473 1.3880 0.2246 1.1368 1.3231 2.0251 0.1666 4.3214 0.6371 1.2909 4.5843 0.8066 1.0737 0.4407 2.7488 0.2232 1.4243 0.1485 1.7888 0.4925 0.5301 1.4405 0.1608 2.9104 0.1523 0.2411 thioproline 1.0297 1.0335 1.0179 0.9087 1.0574 1.4229 0.8460 1.4568 0.8301 1.0693 1.1357 1.0922 0.8727 0.9778 0.8982 0.8404 1.4538 1.0712 1.0651 0.8500 1.2172 1.2557 0.7350 1.1111 1.2212 0.8609 1.2569 1.1599 0.8894 1.3003 0.8388 1.1209 1.2660 0.9862 0.9810 0.9163 0.8158 1.1658 0.9589 1.5157 1.1915 1.1684 1.1213 1.2236 0.8890 0.9874 1.0988 1.1547 1.4074 0.9406 0.8559 0.9395 0.6153 0.7865 1.0045 0.7878 0.7876 0.7360 0.6918 0.6418 0.9582 1.0018 0.8553 1.0663 0.9121 0.9991 0.8484 0.8285 0.9690 0.8031 0.9607 0.8926 0.8634 0.9662 0.8571 1.3153 0.7142 0.8846 0.8869 0.9882 0.9063 0.9068 0.8991 0.9453 0.7810 0.9172 0.5765 1.0404 0.8173 0.9496 1.0849 0.7740 1.1621 0.8815 0.8529 0.9654 1.0053 1.5657 0.9476 1.1030 1.0118 1.4387 1.2858 0.9699 1.2589 1.1672 1.1263 1.1685 1.2211 1.2685 1.1317 1.0230 1.0472 1.2020 1.2612 1.0301 1.3268 1.5388 1.5537 0.9409 0.8117 0.9026 1.2559 1.1610 0.8884 1.0047 1.1164 1.0000 1.2437 1.4651 1.0535 threonate 0.9006 0.6253 0.8572 0.5913 1.8918 0.5457 0.5405 0.1935 0.7082 0.8254 0.6595 0.8142 1.2880 0.4976 1.0315 0.7137 1.0673 1.2859 0.4494 0.3347 1.7267 1.6477 1.1660 0.4206 0.7651 0.8761 0.7092 1.5823 1.3637 1.4238 1.0471 0.9722 0.5107 1.2576 1.1359 1.7676 0.9731 0.8515 1.1498 0.5094 0.4748 0.9214 1.2505 1.2966 1.0998 1.4151 1.1903 0.4471 0.3786 1.2579 0.5935 1.2210 0.6238 1.0000 0.8939 1.2213 0.4019 0.6633 0.3855 0.4475 0.9317 0.7133 0.8327 1.1386 0.9121 0.9168 1.0256 0.8135 0.9054 1.3658 0.5902 0.5379 0.8240 0.8065 0.6938 1.0377 1.0743 0.7501 1.1639 1.1822 1.3591 1.2747 1.0664 1.2515 0.7644 1.3799 0.3451 1.0734 1.2115 0.9549 1.3131 0.6588 0.9914 1.0211 0.9486 0.6406 0.4627 2.3041 1.4818 1.4468 1.3125 0.8045 0.7256 0.7688 1.6374 0.8960 1.3572 1.1397 2.5316 0.8430 2.0743 1.6792 1.4314 1.1409 1.0401 1.6448 0.6792 1.3297 1.9956 1.6646 0.7793 0.6329 1.3958 1.2786 1.5981 1.3206 0.8202 1.6461 1.7326 1.3614 1.4214 threonine 0.8059 1.1122 0.6613 1.1912 1.1287 0.6071 0.9416 0.9648 1.0483 1.1269 1.0083 1.0098 0.9241 0.8958 0.8567 0.8172 1.4754 1.0991 0.9736 0.8842 0.7350 1.1726 0.8471 0.9800 1.0338 1.4167 0.9452 0.9271 1.0564 0.9857 0.8049 0.9255 0.8721 0.9969 1.1263 0.7018 1.0000 1.0647 1.0155 1.0086 1.2347 0.9388 1.0256 1.0254 0.8754 1.1304 1.2987 0.7253 1.4731 0.7753 1.0407 1.3082 1.2216 0.6672 1.1345 1.0471 1.5757 0.6998 0.6669 1.1196 1.2924 1.3097 0.9570 0.8185 1.4840 0.9224 1.1994 0.7567 1.0680 2.3106 1.2140 0.9950 0.8524 1.5832 0.7986 1.2043 0.7495 0.8049 1.3404 0.8156 1.0689 1.1727 1.0476 0.7567 0.8377 1.0240 1.0796 1.1689 1.0660 0.9417 1.3751 1.3252 1.2154 0.9216 1.5647 0.8259 0.7717 1.2474 1.0026 0.8118 0.9931 1.4265 1.3371 0.8519 1.0214 0.6564 0.7021 1.0218 1.0125 0.9930 0.7776 0.9891 1.0239 0.9831 1.0300 0.9780 0.9474 0.8752 1.1134 1.2654 0.7365 0.8707 1.3588 0.7807 0.9298 0.9347 0.8470 1.3982 1.0859 0.7849 0.9256 thymol sulfate 0.0956 0.1958 0.4065 32.0844 67.8248 0.0689 4.4569 2.1475 0.8823 3.3273 0.0945 0.7114 1.0854 0.5363 0.0281 0.1810 2.3641 0.0281 12.2810 0.4329 9.6661 0.8484 0.2963 3.0642 33.4239 0.3278 0.1150 0.2012 0.2346 0.7956 0.5885 18.2468 1.2218 0.0281 0.2034 1.6722 0.2405 8.3739 1.4145 0.1456 37.1579 0.2021 0.1663 0.7124 0.4691 5.8115 0.1650 0.3474 0.5965 0.2759 4.6448 0.1267 0.0281 0.2077 39.7938 0.5649 1.6237 1.7020 1.5648 46.4846 4.4778 3.7902 4.4748 21.7704 0.7455 0.2187 2.6860 6.8512 0.7097 2.0293 4.4550 0.1902 0.0281 1.0111 0.9917 29.6848 0.0491 1.0902 0.7963 1.3504 0.1249 0.2728 3.8444 2.1199 2.1122 4.7005 4.5046 0.3827 4.2795 0.0281 1.1298 0.0699 3.4308 9.1309 0.3839 2.6276 30.0513 0.9798 17.3645 0.3327 1.8785 3.3548 0.2657 3.0114 0.3530 0.1304 39.5775 0.3029 0.9460 1.8814 0.2632 0.6555 9.0521 0.8170 0.6602 5.5186 4.7202 2.7027 1.7124 1.0083 1.3211 0.1411 4.0474 0.7114 1.2019 0.1731 33.2722 0.7315 0.0733 0.1276 0.0666 thyroxine 1.2858 1.0473 1.0670 1.0566 0.8337 1.2288 0.8981 1.0247 1.0399 0.9630 1.3553 1.3596 0.9741 1.0097 0.8831 1.1937 0.5898 1.2893 0.7102 0.9625 0.9339 1.1578 1.2079 0.8702 1.0299 0.9167 0.9220 1.0807 1.3169 1.0000 0.9588 0.9087 0.9821 1.2103 1.2011 0.8399 1.2271 1.0914 1.0406 1.2981 1.1482 0.9646 0.9381 0.7816 1.5137 0.9479 0.9158 1.1065 0.9509 0.9938 1.1439 0.6298 1.0825 0.8130 0.6646 1.2624 0.9748 1.0258 1.1305 0.8958 0.9364 0.9124 0.7819 0.9059 0.7929 0.7684 0.8230 0.8657 0.7683 1.7849 0.6986 0.5913 1.0916 0.7461 1.2046 1.0920 1.3733 1.1974 0.8525 0.8599 0.8931 0.7073 1.0015 1.2502 0.8734 0.9471 1.0356 1.1646 1.4792 0.9848 0.9560 1.6125 1.0130 0.9306 0.6732 1.0954 0.8167 1.4094 0.9035 1.1565 1.0597 1.0592 1.0692 0.9946 0.8411 1.1189 0.9467 0.9881 0.9543 1.1023 1.0069 0.8208 1.0907 1.0428 1.3304 1.7214 0.8902 0.8623 1.1874 1.9314 0.9723 0.9601 0.9984 1.0261 1.0304 1.1253 0.7898 1.2517 1.3224 0.9634 1.3336 tiglylcarnitine (C5:1-DC) 0.3830 1.2226 1.8737 1.4104 1.1046 1.0176 1.6931 0.7391 0.2919 0.8928 2.3093 0.4332 1.8441 0.3093 1.5743 4.5292 1.9660 1.9061 3.2599 0.4939 0.4749 1.4405 0.8565 0.6678 2.0891 0.6000 2.1791 0.9557 1.4420 1.8052 1.6075 0.6551 0.6262 2.1291 2.1332 2.4467 1.3883 1.1830 1.1112 2.2075 1.1343 1.8960 0.9110 2.3747 1.1881 1.7928 0.9248 1.0473 2.0453 1.6167 0.4869 1.2323 0.5248 0.4674 1.8283 0.6003 0.6718 0.3407 0.6467 0.2919 0.6672 0.6167 1.3143 1.6213 0.2919 0.9114 0.8502 0.6226 0.3113 0.2919 0.6640 0.4441 1.0115 0.5781 0.3079 1.5114 0.7915 0.5700 0.8177 0.4467 0.7573 1.4273 0.6017 0.6355 0.8788 0.6096 1.2746 0.7116 0.9897 0.5125 1.0246 0.6920 1.8602 0.7211 1.2452 0.8187 0.7817 0.8709 0.6922 1.0940 0.6394 1.5715 0.3881 0.9944 0.8108 1.0226 0.8472 1.1442 1.4406 1.1348 0.7131 0.8240 0.7173 1.3441 0.9726 0.4634 1.5042 0.8270 0.6624 1.1734 1.1582 1.0869 2.0095 2.0519 1.2509 1.2434 1.2905 1.1021 1.0056 1.6504 0.8153 topiramate 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 tramadol 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 trans-2-hexenoylglycine 1.7622 3.4381 1.1464 0.6762 0.5394 2.5820 0.4307 0.9676 1.0297 0.6913 2.5571 0.4307 1.2617 3.0303 0.4845 2.3591 0.4307 0.8008 0.6939 1.2105 0.4750 0.7701 0.4307 1.2507 1.3537 0.4855 1.3211 1.2831 0.8212 0.9911 1.0305 0.8698 0.6770 1.0860 1.1667 1.1229 0.4307 0.4307 0.7506 1.3370 0.4307 1.4904 1.2915 0.7088 0.7048 0.7693 1.4343 0.5735 1.0539 0.8811 2.5897 0.4307 0.4307 0.9536 0.4307 1.3219 0.4307 1.9208 1.7022 0.5327 0.4307 1.0000 1.7289 0.8786 0.7481 0.4307 0.4307 1.9256 0.4307 0.7102 2.0336 2.0972 2.8425 0.6092 0.6484 0.5958 1.6433 1.9355 1.6287 0.4307 0.4307 2.9380 2.5136 3.1544 0.7310 0.5697 1.3068 1.0825 0.4307 0.4307 1.3057 0.4612 0.4307 0.5625 0.4307 1.9318 0.5619 0.7561 0.8829 0.9174 1.1298 0.4923 0.4307 1.2873 0.4307 0.5597 1.1818 0.7721 0.4307 0.7552 1.4333 0.5896 0.8703 0.9665 1.1317 0.9241 0.4307 0.4801 0.5694 0.5465 1.0002 0.7986 1.1289 0.9170 0.4307 1.9169 0.6172 0.8853 2.1877 2.0139 0.4307 trans-4-hydroxyproline 1.0398 0.9655 0.7439 1.0981 2.9856 1.0605 0.9846 0.8835 1.2836 3.2956 0.7368 1.5452 1.5738 0.7912 2.1131 0.8309 2.2406 0.9560 2.1200 0.9432 2.1040 0.6245 2.3809 1.1536 0.7087 1.1747 2.0991 1.2430 1.0160 0.6822 1.8372 1.3845 1.6654 0.6259 0.7257 0.5609 0.8815 3.1750 0.8433 0.6885 1.0788 0.7580 0.6719 0.8217 1.4793 0.7392 1.5916 0.7846 4.6507 0.7940 1.1990 3.5185 1.0724 0.9980 0.7742 1.4241 3.1581 0.7849 0.7918 0.8397 1.3485 1.9831 1.2883 1.1488 1.0842 0.7111 1.3267 0.9491 0.7098 2.5084 1.0095 0.8366 1.1215 1.4302 0.5524 1.8448 1.0324 1.1237 1.0088 1.0953 0.9687 0.7699 2.5821 0.8284 0.7262 0.9850 1.7902 1.3372 0.9224 0.8287 3.3346 1.2378 1.9438 2.0433 1.7334 0.9573 1.2653 0.8191 0.9047 0.6957 0.6428 1.7382 0.8972 1.0133 1.1793 1.1178 0.8670 1.3787 1.8407 0.8405 0.8663 0.9135 0.9113 0.9701 0.7193 1.0000 1.3181 0.8957 0.7757 0.6690 0.7255 0.6695 1.1802 0.9920 0.5495 1.0248 0.6400 0.8003 1.7026 0.7285 0.9018 trans-urocanate 0.4140 0.4651 0.6839 1.3671 0.4507 1.2317 1.0154 1.0042 1.1246 2.4745 2.0191 0.9319 0.8275 2.4323 1.1914 1.0816 1.4975 0.5419 1.5221 2.4813 1.6326 0.8312 1.2081 2.7499 1.4420 0.9679 0.4790 0.9504 0.3365 0.5635 0.6186 0.5382 0.6735 0.5160 0.2600 0.5445 1.2986 0.8913 0.6201 0.6548 1.0402 4.9088 0.6541 0.9931 0.5690 0.7531 0.7778 0.8763 0.6012 0.8108 0.2349 0.7136 0.8454 0.7545 2.0024 0.6061 1.1531 0.6766 1.9331 1.1990 0.8825 3.2189 1.3003 0.8019 1.7752 1.5693 0.7905 1.0006 1.4323 1.2451 1.3114 3.9114 1.3715 2.1408 0.9106 0.7503 1.4880 1.6693 2.0790 1.9870 1.1183 3.2471 1.3782 0.8432 1.0309 0.5233 0.5301 0.3117 0.5628 0.2138 0.2436 0.4154 1.1594 0.3640 1.1643 0.9356 1.6274 1.5827 0.6589 1.4290 0.8180 1.2395 0.5720 1.1775 1.6443 1.2104 0.7544 1.8379 0.7272 0.3136 0.4746 0.9068 1.0634 0.7609 0.7525 0.8656 1.0903 1.1375 1.3205 1.0968 1.0017 1.2943 0.8148 1.4352 0.8858 1.3914 1.1685 1.0000 1.8346 0.9354 1.7193 trazadone 0.7351 0.7351 0.7351 0.7351 0.7351 1.2649 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 0.7351 triamterene 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 tridecenedioate (C13:1-DC)* 0.4558 1.0000 0.9720 0.5882 1.3507 0.6809 1.1432 0.6012 0.7364 0.9919 2.3385 0.9909 1.7075 2.2295 1.1937 1.6742 1.0408 0.8539 1.2600 1.0935 0.6622 0.8849 1.0701 0.5157 0.8977 0.6658 1.5043 1.2699 0.8345 0.8103 0.7815 0.8018 0.3745 1.1331 0.8736 1.3658 0.7924 0.7177 0.7302 1.0541 0.4722 1.2379 1.8200 1.1517 1.1922 1.0619 1.0075 4.6872 0.9150 1.5161 0.6095 0.5853 0.5775 0.4180 0.4750 0.9116 0.3031 2.1169 1.0239 0.1343 0.4611 0.3844 0.8604 1.1940 0.7699 1.6223 0.6620 1.1193 1.0304 0.7242 0.7519 0.7892 1.6190 1.0011 0.5028 0.7548 1.0537 0.8237 1.2194 0.3325 0.8425 1.5171 0.8808 2.3312 1.2909 1.1947 0.9911 1.1937 0.4560 0.5178 1.0215 0.6228 1.0649 0.5834 0.4295 3.1216 0.6124 1.1478 1.5448 1.3982 0.9872 0.8418 0.6271 1.8132 0.7006 1.1431 1.3023 0.7192 1.8039 1.4243 1.5621 1.0358 1.8184 1.3325 3.2806 3.2386 0.2958 1.2902 0.6730 0.5447 0.7181 1.4272 1.6020 1.8457 0.5009 1.8470 1.2657 1.3776 1.6893 1.9545 0.7323 trigonelline (N'-methylnicotinate) 2.0577 0.9993 0.2117 0.6671 2.0445 2.2527 1.0897 0.7511 2.7440 1.0000 0.9482 1.8905 0.1574 0.7632 1.4909 0.4663 0.9507 0.0854 1.9998 0.5917 1.7994 0.1405 0.3492 1.2440 0.0748 0.1221 0.6336 0.1252 0.5049 0.4488 0.1819 4.7222 1.8109 0.2483 0.3689 1.1106 2.1480 0.8586 1.0314 0.0251 0.9583 0.9236 0.3247 0.2303 0.8412 0.1277 0.2167 0.0935 0.8454 0.2581 0.4704 5.1631 1.6352 2.9124 17.3601 9.2448 0.9080 0.3647 4.1203 1.3426 0.5785 1.7274 2.9853 0.2546 3.1723 1.2165 0.5235 1.1608 0.4750 0.6502 2.8851 0.6967 0.8206 1.8132 0.8690 2.3043 1.6368 4.4315 4.8453 2.0888 1.6480 0.6798 3.8998 1.2568 6.6978 0.2310 0.4329 0.4043 3.4379 0.5319 1.5299 2.8449 3.7465 1.1501 0.8255 7.6825 0.1989 0.1639 1.1863 1.3103 1.9631 3.1319 1.4996 1.3880 1.9755 1.4173 1.4365 0.5928 0.2307 2.5844 1.7042 0.3038 3.5420 0.6470 3.0320 7.9548 0.4749 0.6309 0.7118 4.1074 1.4560 3.0181 0.4121 2.8665 1.4301 0.7543 0.7823 0.2128 10.2893 0.0698 1.4387 trimethylamine N-oxide 0.5946 0.5651 0.5447 0.3879 1.6009 0.9092 1.0000 0.6480 0.8724 2.0299 2.0703 0.8986 1.2418 1.3798 0.8163 0.9920 2.5790 0.7235 2.3926 0.4074 1.1264 1.9778 0.6283 1.0530 0.3045 0.7612 3.2526 0.8099 1.6375 0.9649 1.4541 0.9261 1.4519 11.4673 1.2207 5.2221 0.8646 2.8587 1.9006 0.3254 0.4997 1.7441 0.8303 0.5286 2.0476 0.3998 1.4337 0.5074 4.5749 0.8366 1.2267 1.2285 0.4735 1.0099 0.7084 0.7650 1.3063 0.2926 0.3178 1.0261 0.8056 0.5730 2.5375 0.4160 0.7793 0.6789 1.1541 0.3510 0.3523 1.4649 0.3370 0.5707 1.5242 0.9683 0.2476 1.2832 0.6179 0.5982 0.7240 0.7034 1.7621 0.4355 0.8521 0.3752 0.9086 0.3309 1.0274 0.9649 1.0520 0.7625 0.9284 0.5591 1.0358 0.3375 1.0108 1.3089 1.5323 1.5472 1.4031 1.1110 1.0814 2.2250 0.9569 1.2727 9.4849 0.6441 1.2853 1.0649 2.1171 3.2242 6.6365 0.9825 2.9776 0.6370 1.0236 8.2256 1.6809 1.3847 6.5716 0.9130 0.8696 1.2257 1.4563 1.2202 1.1032 1.3713 1.9258 0.9784 1.1917 0.7539 0.8964 tryptophan 0.6702 0.8055 0.9294 1.1365 1.2931 1.0149 1.0880 0.8202 0.9996 1.0087 0.9112 1.1457 0.8519 0.7971 0.9298 0.8075 1.5926 1.1365 0.8537 0.9703 1.0721 0.9859 1.0081 0.6817 0.9734 0.8802 1.0322 1.0828 1.2591 1.1144 0.9266 0.8668 0.6477 0.9182 0.8865 0.9844 1.0229 1.0243 1.0141 0.7596 1.1849 0.8583 1.0845 1.3185 1.0303 1.0387 1.0405 1.0019 0.6770 1.0000 0.7932 0.9261 0.8941 0.6494 1.0761 1.0154 1.2137 0.8575 0.8641 0.8295 1.0478 0.9178 0.9998 1.1487 1.0913 0.8474 1.1360 1.0165 0.9771 1.1120 0.8679 0.7670 0.7443 0.9530 0.9357 1.1561 0.6106 0.9078 0.8233 0.7964 0.8859 0.9569 1.0318 0.9122 0.8544 1.0267 0.8659 1.2815 1.0889 1.0227 1.1478 1.0066 1.1202 0.9784 1.1461 1.0357 1.0699 0.8312 1.0854 1.1217 0.9246 1.3493 0.9175 1.0843 1.1205 0.9642 0.8906 0.9416 1.4051 1.0274 0.8356 1.0752 1.2052 1.2369 1.1034 1.0070 1.0496 1.2387 0.8201 1.0221 0.9147 0.9689 1.0701 1.1743 1.2042 0.9217 0.9987 0.6781 0.9486 1.0249 1.0308 tryptophan betaine 0.8709 0.0286 0.4084 2.1094 0.2913 0.4110 0.4272 1.3435 0.0923 1.1368 0.2535 0.7967 1.1988 0.9540 2.6202 0.3665 0.1590 2.3149 1.1462 0.7792 1.3944 2.7025 1.0743 0.5518 0.1945 2.0093 0.1724 0.2224 1.1107 0.3308 0.2920 0.6881 0.1879 2.9472 0.8019 1.0829 1.1387 0.0475 0.2336 0.3155 0.5300 0.9302 0.5333 0.8119 0.9013 1.5839 1.3090 0.5615 0.7250 0.2280 1.5744 0.8082 0.9522 6.6526 4.9283 2.0484 0.0557 0.4244 1.0701 5.8140 1.2087 1.5946 2.4505 0.4522 1.1717 1.0000 5.6975 2.4624 7.4778 3.2433 1.5704 3.0631 0.6716 0.9978 2.3467 1.9093 0.4954 2.7428 0.6208 2.5624 0.3413 1.9676 1.4534 0.1933 0.8041 1.9857 0.6107 0.4496 4.5301 1.5371 0.5504 1.8002 5.3604 3.7746 1.4564 2.2057 0.8908 6.0041 1.2944 0.5472 1.1904 0.3548 3.7627 0.3501 1.0410 3.5384 0.2598 2.9289 3.1673 1.3064 1.8285 1.9136 3.5305 0.9880 0.5496 3.5490 0.9208 0.7758 1.4529 0.6939 0.6606 0.8539 0.8604 2.2329 3.0767 2.7152 0.1881 0.6900 0.0834 0.8550 3.6551 tyramine O-sulfate 0.3542 0.3542 1.7755 0.6119 0.3542 13.4338 13.0273 1.0435 0.3542 1.5139 0.3542 0.7480 0.3542 0.3542 2.7480 0.3542 13.5800 1.2232 1.8594 0.5158 1.7286 0.3542 0.3542 0.3542 0.3542 0.3542 1.1223 0.3542 0.6106 1.2518 3.0892 1.1494 1.1840 0.6667 1.5004 0.3542 0.3542 1.2045 17.5886 0.3542 0.9724 0.9507 0.3542 0.3542 2.6664 0.3542 7.0880 0.3542 2.4699 0.9849 0.3542 1.3402 0.3542 3.1007 0.7595 0.4556 1.1843 6.9049 0.6616 0.6108 0.3542 0.3542 0.5065 0.3542 0.6313 0.3542 0.7092 0.3542 0.6417 0.3542 0.4359 1.2254 0.3542 0.7524 0.3542 1.0932 0.7495 0.3542 0.3542 0.4440 0.3542 0.8862 0.8991 0.5985 0.7227 0.3542 1.0151 0.9358 0.6767 6.1102 0.6924 0.4392 1.3111 0.3542 2.6009 1.8903 0.3542 3.0565 0.3542 0.4123 1.9208 1.3786 0.3542 0.3542 1.4138 1.0799 0.3542 0.3542 1.1547 0.7328 0.3542 0.3542 0.3542 0.3542 0.3542 1.2031 3.9501 0.3542 0.6556 0.8078 0.3542 0.3542 0.5599 0.8410 0.3542 0.3542 0.9623 0.7058 0.4260 0.5305 0.8617 tyrosine 0.7307 0.9943 0.6628 1.2817 1.3865 0.7267 1.0051 1.1043 1.1213 1.0411 0.8729 1.3155 1.1965 0.8854 0.9308 0.9470 1.6934 1.1338 0.9555 1.1739 1.1222 1.1098 1.0553 0.6301 1.0657 1.1048 1.0383 0.8749 1.2970 0.9542 0.8090 1.1276 1.1246 0.8079 1.1121 1.0342 1.0962 0.9515 1.0823 0.8239 1.6678 0.7928 1.0843 1.6297 1.2834 1.1118 0.7833 0.7880 0.8334 0.8886 0.9433 1.1126 0.5703 0.5142 1.0290 0.8787 1.0684 0.5629 0.6186 0.7620 1.0339 1.1688 0.8836 0.8392 1.0622 0.8695 0.8330 0.7045 0.8522 0.8561 0.7581 0.7790 0.3874 1.0390 0.9803 1.0002 0.7536 0.8073 0.6353 0.7379 0.7453 0.9309 0.6499 0.7467 0.8246 1.1347 0.7614 0.8944 0.5695 0.9453 0.8131 0.8616 0.8013 0.8223 1.2092 0.8841 1.0501 1.1927 0.9987 1.0693 1.3398 1.2681 1.3619 1.0608 1.1204 1.0552 0.9417 1.3270 1.0704 1.4938 1.2115 1.6558 1.0922 1.4387 0.8447 1.8784 0.8618 1.2947 1.0000 1.1259 0.8834 1.1432 1.0359 1.0963 1.3706 0.9287 1.6385 1.0276 1.1410 0.9588 0.9281 umbelliferone sulfate 0.2906 2.7030 0.2906 0.8044 0.5661 6.4120 1.8938 1.5726 1.2455 0.2906 1.9630 2.0455 1.0054 0.2906 3.0108 0.2906 105.3929 2.7605 0.4183 1.0435 0.5391 0.5907 0.2906 0.6271 0.5409 0.7136 2.3556 0.2906 0.6769 0.2906 0.2906 0.2906 0.2906 0.4058 0.2906 1.0000 1.2814 0.2906 0.6192 3.0847 7.8175 0.2906 0.7309 1.6084 0.9468 0.2906 0.9859 0.5831 0.3958 0.7293 0.5553 0.7596 0.8444 1.7406 1.5517 1.9828 1.2052 0.2906 2.1738 0.2906 0.4292 0.2906 0.6106 0.2906 0.5287 0.7093 5.4282 0.2906 0.2906 0.2906 0.3132 0.2906 0.2906 0.2906 0.2906 1.7368 0.4285 0.6146 0.4255 7.7072 0.9245 2.9816 1.8903 4.9365 0.2906 0.4569 3.5050 0.2906 0.3721 0.2906 2.8295 0.2906 3.4952 0.3648 0.2906 13.8258 0.6251 0.9534 0.7178 1.6957 1.4546 0.6574 0.2906 0.2906 0.2906 0.2906 0.2906 1.5724 7.2462 0.6916 0.2906 1.4368 2.7814 0.3889 5.3670 0.5645 0.4307 6.0899 0.9010 0.2906 6.3766 0.2906 0.2906 14.7073 0.2906 0.7706 1.4815 3.7216 0.5756 0.2906 0.2906 undecanedioate (C11-DC) 0.4374 0.8139 0.8844 0.5208 23.4888 0.9279 0.7200 2.2930 0.4374 0.8133 1.2243 1.1638 1.0280 0.8872 1.0346 1.2279 1.0783 0.7521 1.0025 0.9636 0.4374 1.1367 1.5345 0.4374 1.3962 0.8714 0.8597 1.0518 0.8620 1.0143 1.2917 0.8602 1.0075 1.8692 0.7574 0.9276 0.8922 0.4374 0.4374 1.3305 1.0270 1.0656 0.7695 1.4982 1.5172 0.8001 0.8751 1.2499 1.4260 0.7991 1.4797 0.4374 0.8490 0.8477 0.8208 0.6461 1.1467 0.7877 0.6608 0.6177 0.9975 0.9459 1.0940 0.7047 1.2729 0.4374 0.6331 1.1136 0.9451 0.4374 1.0203 1.7167 0.8477 1.2967 0.4374 0.4374 0.4374 0.8926 1.1172 0.6590 0.4374 0.8840 1.0328 0.4374 0.4374 1.0311 0.4374 1.1317 0.4374 0.9743 1.4251 0.8188 0.4374 1.7578 1.8588 1.1903 1.1049 0.7723 0.4374 0.8268 0.4374 1.8157 0.4374 0.9263 0.4374 0.9643 0.4374 1.1611 0.9049 1.3044 0.9933 1.1622 0.6936 1.0113 0.8268 1.2784 0.6987 0.9227 0.9456 0.7848 0.4374 0.4374 0.4374 1.0335 0.4374 1.1971 1.0118 0.4374 1.0259 0.6896 1.2220 undecenoylcarnitine (C11:1) 0.4693 0.9202 1.9815 0.8971 0.8229 1.2028 0.7943 0.8013 0.7855 1.9779 0.9567 1.1164 0.8709 0.9799 0.7257 2.0386 2.2526 1.7375 1.8358 1.2578 0.6885 1.4713 1.2532 0.8145 0.1658 1.2486 2.2851 0.4652 0.5220 0.7671 1.5501 1.0502 0.9167 0.8386 0.9536 1.7095 0.5952 2.0513 0.9836 0.4116 0.2870 0.9873 1.3977 1.8634 0.6325 0.3582 0.9699 1.1882 0.9503 1.2705 1.1072 0.7110 1.0127 0.1658 0.6479 0.8762 0.9653 0.8528 0.8942 0.1658 0.9218 0.8419 2.0450 1.6721 0.7414 1.7160 1.0933 1.1917 0.7863 1.2033 0.3150 0.9480 1.9368 0.4035 0.8271 1.9009 0.2486 0.8964 1.1999 0.4747 1.2760 0.9445 0.7810 0.9565 0.8826 1.9688 1.0241 1.2415 1.8165 0.9218 0.6001 1.0796 0.9300 1.4312 0.1658 0.9512 1.1635 0.5749 1.2687 3.2851 1.0594 1.5468 1.0912 2.2831 1.5550 1.2284 0.8168 1.6399 1.1603 2.3439 1.6293 0.8726 2.2915 1.2156 0.5341 1.1857 1.0941 1.5493 0.7576 0.7985 1.0590 0.5798 0.5255 1.6507 1.3390 0.8628 0.3941 2.5564 2.8422 1.8196 1.2994 uracil 0.4971 0.7350 1.6988 0.8390 0.6818 0.9739 1.1244 1.1584 0.9447 0.6761 1.3303 0.9169 1.1624 1.1822 1.1645 1.2550 1.1339 1.5145 1.4507 0.9365 0.9197 1.0076 1.5893 0.5947 1.8231 0.6253 1.3873 1.5039 1.0844 1.6043 1.0774 0.9623 0.9528 1.7935 1.4709 1.5928 1.1083 1.1645 1.0340 1.1804 0.9293 1.8791 1.0773 1.6932 0.6068 1.0888 1.4870 0.7333 1.4696 2.1195 0.7546 1.2398 0.4971 0.4971 1.1034 0.9448 1.1127 0.7360 1.1810 0.9316 0.8232 0.8182 1.4293 1.6876 0.9038 1.2418 0.8088 0.9655 0.8352 0.6360 0.6069 0.6275 1.0469 0.9924 0.6700 0.9511 0.8185 1.0123 1.6861 0.8798 0.7977 0.6206 0.8592 1.0532 0.7261 1.0092 1.0413 1.4125 0.8183 0.9036 0.9111 0.7279 1.6344 0.6923 0.9443 0.5567 0.8897 0.4971 0.8781 0.9749 0.4971 0.4971 0.6199 0.8821 0.9347 1.2144 1.7631 0.9139 1.3441 0.4971 1.0484 0.9332 1.0079 0.4971 0.4971 0.4971 0.9860 1.0405 1.0981 0.6607 0.9038 0.4971 0.7932 1.4001 0.4971 1.1896 1.2810 0.5017 1.7004 0.8186 1.0446 urate 0.9133 1.1454 1.3883 1.4032 1.2531 1.1545 1.1683 0.9299 0.9230 1.0303 0.9183 1.0877 0.7884 1.5201 1.4203 1.1395 1.4434 1.0977 1.5029 0.8950 1.0184 1.2577 0.8256 0.7770 1.2292 0.9853 1.2515 0.8460 0.9154 0.9927 1.2725 1.0106 0.8673 1.1389 1.4653 0.9933 1.0371 1.1996 1.3788 0.9728 1.3020 0.5621 1.1134 1.8660 1.1917 1.0394 0.9392 0.8561 1.4925 1.1695 1.4521 0.6246 0.5973 0.9543 0.5778 0.7292 0.6129 0.6023 0.8299 0.4210 0.8416 0.9297 0.8273 1.2959 0.8161 0.8587 1.1837 0.6357 0.7184 0.5894 0.4508 0.5742 0.9285 0.4650 0.5460 1.0000 0.6248 0.5920 0.8129 0.7837 0.8028 1.0056 1.1846 0.5756 0.8135 0.8626 0.8982 0.7101 0.9026 0.7696 1.0883 0.7665 0.9317 0.8614 0.8961 1.3517 1.1455 1.0670 0.9837 1.1344 1.1966 1.0013 0.9947 1.0347 1.3643 1.2489 1.1885 1.5024 1.2280 1.5029 0.9822 1.3100 1.1933 1.1168 1.1946 1.5362 1.3530 1.2775 1.1851 0.8655 0.8356 0.8131 0.9492 1.4363 1.0915 1.4946 1.0983 1.1471 0.9861 0.8365 1.1137 urea 0.6086 0.7002 1.8447 1.1900 0.9248 0.7465 1.8062 0.9386 0.4932 0.8872 1.4825 0.7401 1.4763 0.4454 1.5507 2.5452 1.8214 0.9746 2.8607 0.6083 0.9781 0.8891 0.6170 0.8202 1.0726 0.8577 1.9058 1.2778 0.9277 1.2771 0.9398 0.9654 0.5905 1.4285 1.4255 1.7006 0.9132 0.9676 1.2331 1.1953 1.1653 1.2699 0.9346 1.2716 1.6541 1.1230 1.7063 1.1169 2.5013 1.4060 0.8899 1.3462 0.7145 0.7769 1.4065 0.9003 1.0750 0.8173 1.0000 0.6147 0.8522 1.0863 1.0794 0.9776 0.5363 0.5898 0.8122 0.8305 0.8024 0.5090 0.7474 0.8144 1.0343 0.6968 0.6151 1.4343 0.6710 0.7337 0.8108 0.7425 0.8891 1.1368 0.8754 1.3062 0.8971 0.6816 1.1284 1.5556 0.6621 1.0755 1.3628 0.6575 1.5840 0.7910 1.1864 1.0927 0.7311 1.1604 0.5440 1.1325 0.5917 1.5104 0.7051 0.7104 1.3216 1.1406 1.0678 1.2329 1.1800 1.4759 0.7641 1.0813 1.0529 0.8782 0.8856 0.9076 2.2801 1.1044 1.4353 1.0414 0.9540 0.6450 1.4391 1.3352 0.9614 1.0026 1.1211 1.1072 1.2995 1.1843 0.8686 uridine 0.5710 1.0786 1.0188 0.8431 1.0395 1.0244 0.9096 0.9711 1.0164 0.5820 1.1862 0.8635 1.0610 0.8770 1.0411 1.2027 0.6365 1.1087 1.1362 0.7392 0.7178 0.9949 1.0443 0.6978 0.8623 1.0005 1.0882 1.0708 1.1308 1.1853 0.7867 0.9018 0.7799 1.4574 1.0801 1.2523 1.0700 0.8663 0.8833 1.0003 0.5544 1.0386 1.1583 1.1815 0.4700 1.2525 0.9149 0.7617 0.7871 1.0924 0.8481 0.9293 0.5960 0.5937 0.9199 1.0254 1.0618 0.8684 1.1210 1.0039 0.7918 0.8949 1.1071 1.2672 0.7724 1.1415 0.9274 0.7969 0.8403 0.8785 0.7382 0.6997 0.6957 1.0244 1.0000 1.2504 0.7589 1.0001 1.0799 0.7817 0.8051 1.0576 0.6209 0.8787 0.8943 1.1086 0.9619 1.1699 0.8835 1.0145 0.9544 0.8807 1.1620 1.0666 0.6513 1.0830 0.8136 0.8396 0.9161 1.0267 0.9175 1.0039 1.1127 1.0647 1.0914 1.0052 0.9433 0.9673 1.2003 1.4704 1.2077 0.8490 1.0600 0.7942 0.9721 0.6398 1.0904 0.8871 1.1361 0.9543 1.0278 1.0094 0.9733 1.2516 1.2020 0.9771 1.2917 1.0038 0.8332 1.1059 1.1734 ursodeoxycholate 0.4764 8.9846 1.4831 0.7625 0.9028 0.9306 0.7950 0.4873 0.1007 1.1109 0.7345 0.9955 0.1007 2.6117 0.2203 0.1007 0.4134 3.5821 1.0932 1.0099 0.3359 1.3105 0.7581 0.3867 0.1007 1.1048 0.1007 0.6568 2.6568 7.5427 5.2668 1.2974 1.8089 0.9107 4.1706 0.1007 1.5335 0.5520 3.3613 1.8429 8.1613 2.2988 0.1007 0.1007 3.6257 0.1007 1.9118 0.8085 0.1007 1.2315 0.1007 0.1007 0.1007 0.1007 0.6668 0.1007 1.9871 1.6855 0.1007 0.1007 5.7810 0.8659 0.1007 5.2536 0.1007 0.3926 0.4756 0.1007 2.5661 1.4271 0.3671 0.4930 0.6545 0.1007 0.1007 1.0253 0.1007 0.3418 0.1353 0.6386 0.3405 0.1007 0.1007 0.1007 0.1007 0.7702 0.1007 0.1007 0.1007 1.2065 0.1007 0.1007 1.0000 0.2139 1.2319 3.0770 0.1007 0.1007 0.1007 0.7193 6.9196 1.2973 0.1007 0.2614 4.2191 2.1710 0.5344 0.6176 2.4692 2.8663 1.1947 0.9859 0.2455 0.3794 2.6483 2.0947 0.1517 8.5649 0.4919 0.1007 0.4345 0.6984 0.3917 0.9007 0.1007 16.3699 0.2972 3.4457 1.2396 0.1007 0.2190 valine 0.7358 1.0557 1.1019 1.1851 1.0068 0.6747 1.1394 1.3402 0.8829 0.6160 1.2200 0.9895 0.9626 0.9197 1.2590 1.2545 1.5308 1.2055 1.0527 0.9358 1.0337 1.2040 0.9472 0.9157 1.0370 1.1223 0.9851 1.1490 1.2780 1.1282 1.1743 0.8895 0.9918 1.3005 1.1538 1.0398 0.9181 1.1788 1.1298 1.1240 1.2646 1.0494 1.0885 1.2895 1.2717 1.2597 0.9871 1.3475 1.1733 1.0672 0.8787 1.2753 0.6599 0.5438 1.1254 0.8824 0.8267 0.5341 0.9446 0.0057 0.9261 0.9040 0.9494 1.0278 0.7576 0.8551 0.9331 0.8097 0.8745 0.8037 0.7148 0.6667 0.7198 0.8978 0.8425 1.2340 0.5668 0.7558 0.7380 0.5680 0.7962 1.0217 1.0210 0.7832 0.8095 0.7438 0.9611 0.4740 0.7099 0.9448 0.9686 0.6187 1.1593 0.8506 1.1570 0.8881 1.2118 1.3794 1.1725 0.9844 0.9148 1.3344 1.1236 0.8690 1.2583 1.1694 1.1397 0.9702 1.3314 0.9932 1.1087 1.0206 0.8981 1.1304 1.1425 0.6898 1.1210 1.4174 1.2581 1.0658 0.8344 0.9554 1.0786 1.1141 0.0057 1.0778 0.9097 0.9478 0.8394 1.1852 1.0774 valsartan 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 1.0000 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 4.4035 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 0.0941 valylglycine 0.5329 1.0846 0.3606 0.4155 1.1528 0.3606 0.3606 0.9528 0.3606 0.8387 0.7073 0.9692 1.0893 1.3700 1.2392 1.4862 2.4870 0.3606 0.3606 0.7473 0.9763 0.6536 2.0177 0.4794 0.9784 0.8726 0.4792 0.8479 1.2795 2.9516 2.9693 1.4259 1.3170 1.0137 0.4695 0.6177 1.5708 1.0307 1.0160 0.4515 2.0566 0.8315 0.9327 1.3739 1.5673 0.6723 0.7922 1.0800 2.2278 0.9743 1.7552 0.6715 0.6420 0.6370 1.6527 1.4634 0.8459 0.5798 0.5866 0.4303 1.2277 1.0953 1.9178 0.7643 1.2227 0.4717 1.3114 0.4658 0.6156 0.3606 0.3606 1.3909 0.4800 0.7529 0.5342 0.9900 0.5774 0.7964 1.1986 0.6985 1.4159 1.1190 1.4169 1.4134 0.3606 0.8003 0.4291 1.4560 0.4504 1.3225 1.0153 1.0651 1.4680 0.3606 1.4836 0.3606 0.3606 0.6645 1.4099 1.0660 0.5044 0.3606 0.3606 0.3606 0.6252 0.3606 0.3606 1.1528 3.6239 0.3606 2.4384 0.6795 1.1163 0.4128 0.9221 0.5907 0.6118 0.4440 1.1017 1.7932 1.0178 0.3606 2.3985 0.3606 0.3606 1.0100 0.3606 0.6425 0.7790 1.1774 1.7208 vanillactate 0.8820 1.9853 0.7572 1.4017 0.8164 1.3972 0.8468 1.3052 0.9568 0.5943 1.0344 1.2958 0.5943 1.0408 0.5943 0.5943 1.2404 0.5943 0.5943 1.1970 0.8649 0.5943 0.8544 54.5536 1.4501 0.5943 1.2269 0.9633 0.5943 0.6944 0.8070 4.5773 0.8257 0.7873 0.9425 1.1322 0.5943 0.6763 1.5583 0.7499 1.0282 0.9519 0.7944 1.3065 1.1699 0.5943 0.9335 0.9207 2.4145 1.2155 1.7943 0.6948 0.5943 0.5943 0.5943 0.8562 0.9549 0.5943 0.5943 0.8102 1.1684 1.4581 1.2541 0.5943 0.5943 0.5943 0.7849 0.5943 0.5943 0.5943 0.7494 0.5943 0.7629 0.5943 0.7679 1.1305 0.8872 1.2106 0.9250 0.8773 0.5943 0.9731 1.4411 1.1437 1.0349 0.9432 1.0247 1.2842 1.0909 0.5943 0.7799 0.5943 0.5943 0.7227 1.0669 0.9753 0.7092 0.5943 1.0620 1.5587 0.9459 1.1515 1.2728 1.1949 0.5943 0.9652 0.5943 0.9440 1.1500 0.9566 0.7124 0.7266 1.1701 0.7971 0.8348 2.2501 1.3484 0.8413 0.5943 1.1320 1.3112 0.5943 0.7070 1.1302 0.7771 1.2819 0.5943 1.3414 1.5471 0.8583 1.3560 vanillic acid glycine 0.3907 0.4609 0.3907 2.0451 0.3907 1.0357 0.3907 0.3907 0.3907 0.3907 0.3907 1.7479 0.3907 0.3907 0.3907 0.3907 4.3131 0.3907 0.3907 0.8316 0.3907 0.3907 0.3907 0.3907 0.3907 0.3907 0.3907 0.3907 0.3907 1.4906 0.3907 1.0401 0.3907 0.3907 0.3907 0.3907 0.3907 0.3907 0.3907 0.3907 0.7056 0.3907 0.3907 0.3907 0.3907 0.3907 1.3934 0.3907 0.9097 0.3907 0.3907 0.3907 0.3907 0.3907 2.4259 0.5759 1.2704 1.2988 0.7759 1.2566 0.9094 0.3907 0.3907 0.3907 0.3907 0.3907 3.8557 0.3907 0.8128 0.3907 1.1814 0.3907 0.3907 28.3305 0.3907 0.9403 0.3907 1.2803 0.3907 1.0000 0.3907 0.3907 0.3907 0.6263 0.6850 0.7573 0.3907 0.8285 0.3907 1.1760 0.3907 0.6672 0.3907 0.5537 2.5962 0.3907 0.3907 0.3907 0.3907 3.3132 0.3907 0.3907 0.8075 0.3907 0.6133 1.2689 0.3907 0.3907 0.7274 0.6421 0.3907 0.3907 0.6075 0.3907 0.3907 1.2426 0.3907 0.3907 1.0199 0.3907 0.7662 0.3907 2.7438 1.1106 0.3907 1.1056 0.3907 0.3907 0.5708 0.5041 0.3907 vanillic alcohol sulfate 0.4652 0.4652 0.4652 1.4422 0.4652 1.6562 0.4652 0.4652 0.4652 1.7642 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 35.7887 0.4652 0.4652 0.7291 0.4652 0.4652 2.5529 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.8748 0.4652 1.0350 0.4652 0.6798 0.4652 0.4652 0.4652 0.4652 0.4652 1.0610 0.4652 0.6499 0.4652 0.4652 1.5767 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 3.8909 0.5775 0.6761 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 1.0000 0.4652 0.4652 0.4652 2.0507 0.4652 0.4652 1.8585 0.4652 0.4652 0.4652 0.4652 0.4652 0.8037 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.8215 0.4652 0.4652 3.3128 0.4652 0.7899 0.4652 0.4652 0.8827 0.4652 0.4652 0.4652 0.4652 0.6078 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 3.3646 0.4652 0.4652 0.4652 0.4652 0.4652 0.4652 0.7243 0.4652 vanillylmandelate (VMA) 1.0231 0.7313 0.9542 1.2717 0.7664 1.1055 0.9601 0.9692 0.7868 0.8721 0.7985 0.9925 1.0343 0.9357 0.3705 2.3071 0.8415 0.7499 0.9356 0.8907 0.9239 0.7715 0.6848 0.9912 0.8856 0.6573 0.9155 0.8855 0.6922 0.6636 1.3560 0.9754 0.6230 0.8116 1.4712 1.9793 0.7259 0.7437 1.3673 1.1238 1.1147 1.4084 1.0000 1.2257 0.6547 0.6148 1.0744 0.9533 1.4313 1.0829 1.0655 0.6774 0.5313 0.6396 0.7008 1.2291 1.0382 1.0577 0.7328 1.0953 1.2278 1.1621 0.7930 0.6764 0.7889 0.8290 1.2764 1.0900 0.4805 0.9215 0.8356 0.7712 0.9138 0.4946 0.8645 1.3062 0.7549 1.1794 1.1602 1.1461 1.0296 1.1253 0.6692 1.7924 1.2824 1.1652 1.0636 1.5035 1.0714 1.1739 1.2442 1.0527 0.7833 0.8149 1.1803 2.0763 0.5890 0.8973 0.3910 2.0850 0.8855 1.0692 1.2783 1.0531 0.8819 1.7043 0.9131 0.9888 2.0545 1.5097 1.3454 1.0742 2.0517 1.5786 1.0764 1.6708 2.6862 0.7234 0.9086 1.0784 0.9367 0.5836 1.1313 1.3391 1.0932 1.6594 1.0877 1.3799 1.9765 0.8019 1.0548 venlafaxine 0.4300 0.9152 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 1.0000 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 1.6249 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 0.4300 14.2179 0.4300 0.4300 0.4300 verapamil 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 1.8306 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 0.1694 warfarin 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 xanthine 0.6840 1.0974 1.0581 1.3317 2.6871 0.9659 1.2710 3.3782 1.2983 0.9810 1.4096 1.0822 1.2520 1.4456 1.1614 1.3340 1.2850 1.2035 1.0448 1.5076 0.9237 1.3253 1.2589 0.9683 1.4508 1.1450 0.9536 1.1479 1.0243 1.1819 0.7330 0.8617 1.0074 1.1176 1.3158 1.1583 0.7675 0.8342 1.3277 0.8002 1.2357 1.2919 1.6070 3.0060 3.5306 1.1822 0.9536 1.0000 0.5392 1.3182 0.8073 0.7944 0.6901 0.5456 0.5367 0.7968 0.7653 1.1270 0.9459 0.5385 0.6502 0.9440 1.0460 0.8316 0.8026 0.9219 0.8811 0.5922 0.5558 0.8818 0.9101 1.1901 0.7564 0.9458 0.9393 0.9028 0.8987 0.9918 1.1927 0.7225 0.6560 0.9084 0.8174 0.9836 0.8391 0.6266 0.8062 0.9442 0.5691 0.6829 0.5626 0.5197 0.5918 0.6449 0.4266 1.1458 1.1692 0.7828 1.2635 1.0771 1.0689 0.4339 1.0389 1.0829 1.2172 7.3171 0.7087 1.1964 1.0843 1.0403 1.3581 1.0204 1.3708 1.0755 1.0205 1.1250 0.9762 1.4925 0.9752 0.8758 0.9134 0.9180 0.9409 1.6885 1.1566 1.1350 1.0209 1.1034 1.0935 0.7736 0.7469 xanthurenate 0.5051 0.7586 0.6260 1.1163 0.5095 0.5051 1.6589 1.3513 0.5051 1.0637 1.5326 0.7414 0.9523 0.5051 0.9242 1.5143 3.5521 1.3812 2.3172 0.5051 1.0231 1.0348 0.7980 0.5051 1.3344 0.5051 1.0308 1.0922 0.5051 1.0285 0.5051 1.0000 0.5051 1.3281 0.8811 1.4599 0.8805 1.9890 0.7593 1.0450 2.0208 1.2320 0.5051 2.7846 0.8220 1.1714 0.5051 1.6839 1.8634 0.8103 0.5051 2.0301 2.3517 0.5051 0.8416 0.6960 1.2866 0.5051 0.5051 0.5051 0.8722 0.7975 0.5051 1.0754 0.6463 0.6006 0.9726 0.8144 0.5051 1.0757 0.8377 0.5051 1.4567 0.6838 0.5051 1.9716 1.0517 0.5051 0.5051 0.5051 1.2251 1.2422 0.5051 0.8337 0.7879 0.5051 0.6918 0.8674 2.3401 0.6622 0.9835 0.8573 0.8939 0.6933 3.6524 0.9628 0.9317 0.8800 0.7046 0.8838 0.8252 1.6954 0.7282 0.9243 2.1792 0.5051 0.8727 0.8835 1.9958 1.0949 0.9696 0.7622 1.1638 0.9138 1.5321 1.6295 2.3105 1.6034 0.5366 1.9505 1.6064 0.5051 0.9648 1.5829 1.0719 0.8343 0.8842 0.8181 0.5051 0.6315 1.4230 ximenoylcarnitine (C26:1)* 0.7867 1.5644 0.7767 1.6829 0.9195 0.9138 1.0218 0.7594 0.7243 0.9131 1.2627 1.4242 0.6715 0.9765 0.4098 1.1582 1.0534 1.8150 0.8819 1.0255 0.4638 1.1810 1.0241 0.3681 1.0713 1.3217 1.0796 0.9070 1.0556 1.0983 0.9346 0.9568 1.1060 0.9655 1.1362 1.7316 0.7745 1.5356 0.8882 0.7750 0.8374 1.3477 0.7574 1.0788 0.7745 1.2205 1.0145 0.6173 0.3370 1.6168 0.7378 0.9604 0.3421 0.8277 1.4437 1.1351 0.5918 1.5644 1.0887 0.8864 0.8508 1.1012 0.9237 0.6467 1.2345 1.1906 1.7184 0.7898 0.8668 0.7716 0.7717 0.7459 0.9094 1.0019 0.8770 1.1511 0.7213 0.5897 1.1584 1.0000 1.3393 1.4038 1.2329 1.2571 0.7462 0.7103 1.4954 1.1054 0.8880 1.0154 0.7172 1.3168 1.1352 1.0425 0.6971 1.0530 1.6203 0.5711 1.3113 1.8593 1.2337 1.0938 0.5877 1.2744 1.2691 1.1841 1.6368 0.9374 1.8848 0.9444 0.9319 1.0762 0.5855 0.7842 0.6759 0.7143 0.7642 0.7246 0.8392 1.1001 0.8695 0.8347 1.1212 1.3537 1.0460 0.9827 1.9539 0.9820 1.2132 1.1605 0.5550 xylose 1.2445 0.3519 0.6969 1.2029 1.2608 2.6668 0.3519 0.3519 1.3732 1.6861 0.9721 1.1697 1.2432 0.9550 1.0400 0.9217 7.1934 1.0000 0.9944 0.3519 1.3976 1.0929 0.9353 1.1672 1.1301 0.7899 1.3484 1.0431 1.1454 1.0938 1.2476 1.3174 0.3519 0.3519 1.2930 1.0932 0.3519 0.3519 1.0518 0.7764 0.3519 1.4046 0.8957 0.3519 0.3519 0.8400 1.0334 1.4268 1.3785 1.2270 0.3519 0.9409 0.3519 0.8756 0.6932 0.8789 0.3519 0.3519 1.0542 0.3519 1.1668 0.7803 0.4836 0.6069 0.3519 0.3519 0.3519 0.8768 3.0948 0.6420 0.7666 0.3519 0.3519 1.7217 0.3519 0.8419 0.3519 0.3519 0.4493 0.7222 0.8350 0.8669 0.3519 0.8941 0.8192 0.7891 0.6232 0.7214 0.9022 1.0036 1.2648 0.6366 0.9150 0.9168 0.3519 1.2377 0.3519 1.2501 0.3519 1.4165 0.3519 1.1731 0.8285 0.8367 0.8019 0.3519 0.9483 0.3519 0.9894 0.6707 0.3519 0.9701 0.3519 0.9610 0.8142 1.5344 1.2945 1.1871 1.2616 1.1465 0.8127 1.0060 0.9430 0.8995 0.8272 0.3519 1.1633 0.3519 1.2352 1.0487 1.1811 zolpidem 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 1.7417 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID retention index quantitated m/z value CAS PUBCHEM CHEMSPIDER KEGG HMDB_ID (12 or 13)-methylmyristate (a15:0 or i15:0) Lipid Fatty Acid, Branched 38293 LC/MS Neg 100002344 5499 241.2173 2485-71-4 151014 133106 (14 or 15)-methylpalmitate (a17:0 or i17:0) Lipid Fatty Acid, Branched 38768 LC/MS Neg 100002945 5695 269.24868 17903417 (16 or 17)-methylstearate (a19:0 or i19:0) Lipid Fatty Acid, Branched 38296 LC/MS Neg 100002356 5993 297.2799 2724-59-6 3083779 2340933 HMDB37397 (2 or 3)-decenoate (10:1n7 or n8) Lipid Medium Chain Fatty Acid 63436 LC/MS Neg 100021502 4990 169.1234 (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 188.17574 (R)-3-hydroxybutyrylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 43264 LC/MS Pos Early 100003926 2400 248.14925 53481617 HMDB13127 (S)-3-hydroxybutyrylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 52984 LC/MS Pos Early 100009271 2340 248.14925 HMDB13127 (S)-a-amino-omega-caprolactam Xenobiotics Food Component/Plant 63339 LC/MS Pos Early 100021329 2378 129.10224 21568-87-6 439823 388871 C05328 1,2,3-benzenetriol sulfate (1) Xenobiotics Chemical 48761 LC/MS Neg 100006373 1453 204.98123 1,2,3-benzenetriol sulfate (2) Xenobiotics Chemical 48762 LC/MS Neg 100006374 1709 204.98123 1,3,7-trimethylurate Xenobiotics Xanthine Metabolism 34404 LC/MS Neg 100001397 1985 209.06801 5415-44-1 79437 71754 C16361 HMDB02123 1,3-dimethylurate Xenobiotics Xanthine Metabolism 32391 LC/MS Neg 100001106 1671.4 195.05236 944-73-0 70346 63527 HMDB01857 1,5-anhydroglucitol (1,5-AG) Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 20675 LC/MS Neg 100000580 802 163.06119 154-58-5 64960 C07326 HMDB02712 1,6-anhydroglucose Xenobiotics Food Component/Plant 21049 LC/MS Polar 100000939 1175.5 207.05102 498-07-7 2724705 9587432 HMDB00640 1,7-dimethylurate Xenobiotics Xanthine Metabolism 34400 LC/MS Neg 100001399 1578.6 195.05236 33868-03-0 91611 82720 C16356 HMDB11103 1-carboxyethylleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 62559 LC/MS Neg 100020425 2663 202.10848 1-carboxyethylphenylalanine Amino Acid Phenylalanine Metabolism 62566 LC/MS Neg 100020419 2844 236.09283 19276386 1-carboxyethylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 62562 LC/MS Neg 100020423 2008 188.09283 1-hydroxy-2-naphthalenecarboxylate Xenobiotics Drug - Other 38140 LC/MS Neg 100002394 3930 187.04006 86-48-6 6844 6583 C03203 1-linoleoyl-GPA (18:2)* Lipid Lysophospholipid 52690 LC/MS Neg 100009082 5483 433.23606 24766514 HMDB07856 1-linoleoyl-GPG (18:2)* Lipid Lysophospholipid 54885 LC/MS Neg 100009227 5516 507.27284 1-methyl-4-imidazoleacetate Amino Acid Histidine Metabolism 32350 LC/MS Pos Early 100001208 2064 141.06586 2625-49-2 75810 68319 C05828 HMDB02820 1-methyl-5-imidazoleacetate Amino Acid Histidine Metabolism 62946 LC/MS Pos Early 100002910 1989 141.06586 4200-48-0 6451814 4954265 HMDB04988 1-methylhistidine Amino Acid Histidine Metabolism 30460 LC/MS Neg 100001051 1227 168.07785 332-80-9 92105 83153 C01152 HMDB00001 1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos Early 55 1940 137.07094 1005-24-9 457 8305504 C02918 HMDB00699 1-methylurate Xenobiotics Xanthine Metabolism 34395 LC/MS Neg 100001400 1099 181.03671 708-79-2 69726 62926 C16359 HMDB03099 1-methylxanthine Xenobiotics Xanthine Metabolism 34389 LC/MS Neg 100001405 1568.8 165.0418 6136-37-4 80220 72464 C16358 HMDB10738 1-oleoyl-GPS (18:1) Lipid Lysophospholipid 19260 LC/MS Neg 100000630 5607 522.28374 326589-90-6 9547099 7826049 HMDB61694 1-palmitoyl-GPG (16:0)* Lipid Lysophospholipid 45970 LC/MS Neg 100005717 5570 483.27284 3300276 2548639 1-ribosyl-imidazoleacetate* Amino Acid Histidine Metabolism 61868 LC/MS Pos Early 100001668 2006 259.09247 29605-99-0 5117448 4292299 C05131 HMDB02331 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) Lipid Phosphatidylserine (PS) 52235 LC/MS Pos Late 100001872 2565 812.54361 HMDB12383 1-stearoyl-2-oleoyl-GPG (18:0/18:1) Lipid Phosphatidylglycerol (PG) 52623 LC/MS Polar 100001866 717 775.54946 322647-48-3 1-stearoyl-2-oleoyl-GPS (18:0/18:1) Lipid Phosphatidylserine (PS) 19265 LC/MS Pos Late 100000639 3000 790.55926 9547087 7826037 HMDB10163 1-stearoyl-GPG (18:0) Lipid Lysophospholipid 34437 LC/MS Neg 100001462 5816 511.30414 21403138 1-stearoyl-GPS (18:0)* Lipid Lysophospholipid 45966 LC/MS Neg 100004327 5800 524.29939 9547101 7826051 10-heptadecenoate (17:1n7) Lipid Long Chain Monounsaturated Fatty Acid 33971 LC/MS Neg 100001278 5555 267.23295 29743-97-3 5312435 4471860 HMDB60038 10-hydroxywarfarin Xenobiotics Drug - Cardiovascular 62970 LC/MS Neg 100020811 3910 323.09249 19983904 10-nonadecenoate (19:1n9) Lipid Long Chain Monounsaturated Fatty Acid 33972 LC/MS Neg 100001277 5780 295.26425 73033-09-7 5312513 4471938 HMDB13622 10-undecenoate (11:1n1) Lipid Medium Chain Fatty Acid 32497 LC/MS Neg 100001197 5085.8 183.13905 1333-28-4 14891 10771160 C13910 HMDB33724 11beta-hydroxyandrosterone glucuronide Lipid Androgenic Steroids 63251 LC/MS Neg 100020541 4209 481.2443 12,13-DiHOME Lipid Fatty Acid, Dihydroxy 38395 LC/MS Neg 62 5137 313.23843 263399-35-5 10236635 8412123 C14829 HMDB04705 13-HODE + 9-HODE Lipid Fatty Acid, Monohydroxy 37752 LC/MS Neg 100002196 5275 295.22825 43013 14-HDoHE/17-HDoHE Lipid Docosanoid 53034 LC/MS Neg 100009278 5296 343.22786 16-hydroxypalmitate Lipid Fatty Acid, Monohydroxy 39609 LC/MS Neg 100002953 5236.2 271.22786 506-13-8 10466 10034 C18218 HMDB06294 16a-hydroxy DHEA 3-sulfate Lipid Androgenic Steroids 38168 LC/MS Neg 100002126 4240 383.15338 17alpha-hydroxypregnenolone 3-sulfate Lipid Pregnenolone Steroids 37482 LC/MS Neg 100002128 4800 411.18468 28901-70-4 152971 134824 HMDB00416 2'-deoxyuridine Nucleotide Pyrimidine Metabolism, Uracil containing 1412 LC/MS Neg 536 1586 111.01997 951-78-0 13712 13118 C00526 HMDB00012 2'-O-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 57554 LC/MS Pos Early 100010895 2411 258.10845 2140-72-9 150971 133067 2,2'-Methylenebis(6-tert-butyl-p-cresol) Xenobiotics Chemical 62885 LC/MS Polar 100020373 703 339.23295 119-47-1 8398 8092 2,3-dihydroxy-2-methylbutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 57547 LC/MS Neg 100010869 787 133.05063 14868-24-7 301941 266858 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 133.05063 1756-18-9 677 657 C04039 HMDB12141 2,3-diphosphoglycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 15664 LC/MS Neg 1227 555 264.952 102783-53-9 186004 161681 C01159 HMDB01294 2,6-dihydroxybenzoic acid Xenobiotics Drug - Topical Agents 63042 LC/MS Neg 100020837 2575 153.01933 303-07-1 9338 8974 HMDB13676 2-acetamidophenol sulfate Xenobiotics Drug - Analgesics, Anesthetics 48580 LC/MS Neg 100006190 2251 230.01286 40712-60-5 181671 158023 2-aminoadipate Amino Acid Lysine Metabolism 6146 LC/MS Polar 381 3500 160.06153 542-32-5;1118-90-7 469 456 C00956 HMDB00510 2-aminobutyrate Amino Acid Glutathione Metabolism 42374 LC/MS Pos Early 1128 2059 104.07061 1492-24-6 439691 388757 C02261 HMDB00650 2-aminoheptanoate Lipid Fatty Acid, Amino 43761 LC/MS Pos Early 100004542 3160 146.11756 1115-90-8 227939 198338 2-aminooctanoate Lipid Fatty Acid, Amino 43343 LC/MS Pos Late 100004227 750 160.13321 644-90-6 69522 62727 HMDB00991 2-aminophenol sulfate Xenobiotics Chemical 43266 LC/MS Neg 100004322 1677 188.0023 181670 158022 HMDB61116 2-hydroxy-3-methylvalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 36746 LC/MS Neg 100001541 1800 131.07136 488-15-3 164623 144317 HMDB00317 2-hydroxy-4-(methylthio)butanoic acid Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 63739 LC/MS Polar 100021372 1065 149.02778 583-91-5 2-hydroxyacetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 33173 LC/MS Neg 100001791 1674 246.00778 86290013 34448632 2-hydroxyarachidate* Lipid Fatty Acid, Monohydroxy 61700 LC/MS Neg 100019892 5990 327.29047 5225199 4395406 2-hydroxybutyrate/2-hydroxyisobutyrate Amino Acid Glutathione Metabolism 52281 LC/MS Polar 100008928 1258 103.04006 2-hydroxydecanoate Lipid Fatty Acid, Monohydroxy 42489 LC/MS Neg 100004089 4840 187.13396 5393-81-7 21488 20195 2-hydroxyglutarate Lipid Fatty Acid, Dicarboxylate 37253 LC/MS Polar 100002070 3352.8 147.02989 40951-21-1 43 42 C02630 HMDB0059655 2-hydroxyhippurate (salicylurate) Xenobiotics Benzoate Metabolism 18281 LC/MS Neg 1869 2184 194.04588 487-54-7 10253 9835 C07588 HMDB00840 2-hydroxyibuprofen Xenobiotics Drug - Analgesics, Anesthetics 43330 LC/MS Pos Late 100004169 807 205.12231 51146-55-5 10443535 HMDB60920 2-hydroxylaurate Lipid Fatty Acid, Monohydroxy 52916 LC/MS Neg 100008934 5211 215.16526 2984-55-6 97783 88259 2-hydroxymyristate Lipid Fatty Acid, Monohydroxy 32413 LC/MS Neg 100001180 5364 243.19656 2507-55-3 1563 1508 C13790 HMDB02261 2-hydroxynervonate* Lipid Fatty Acid, Monohydroxy 61698 LC/MS Neg 100015638 6345 381.33742 5312783 4472208 2-hydroxyoctanoate Lipid Fatty Acid, Monohydroxy 22036 LC/MS Neg 100000743 3736.8 159.10266 617-73-2 94180 84994 HMDB02264 2-hydroxypalmitate Lipid Fatty Acid, Monohydroxy 35675 LC/MS Neg 100001579 5511.2 271.22786 764-67-0 92836 83805 HMDB31057 2-hydroxyphenylacetate Amino Acid Phenylalanine Metabolism 1432 LC/MS Polar 235 858.6 151.04006 614-75-5 11970 11476 C05852 HMDB00669 2-hydroxyphytanate* Lipid Fatty Acid, Branched 61702 LC/MS Neg 100004414 5751 327.29047 14721-68-7 189026 164249 2-hydroxysebacate Lipid Fatty Acid, Dicarboxylate 63357 LC/MS Neg 100020378 1324 217.10814 103963-71-9 128458 113866 HMDB00424 2-hydroxystearate Lipid Fatty Acid, Monohydroxy 17945 LC/MS Neg 1239 5695 299.25917 629-22-1 69417 62625 C03045 2-isopropylmalate Xenobiotics Food Component/Plant 15667 LC/MS Polar 100000409 2605 175.06119 3237-44-3 77 76 C02504 HMDB00402 2-keto-3-deoxy-gluconate Xenobiotics Food Component/Plant 48141 LC/MS Polar 100005946 1900 177.04046 17510-99-5 161227 141630 C00204 HMDB01353 2-ketocaprylate Amino Acid Leucine, Isoleucine and Valine Metabolism 63120 LC/MS Neg 100020833 3951 157.08701 328-51-8 67600 60921 HMDB13211 2-methoxyacetaminophen glucuronide* Xenobiotics Drug - Analgesics, Anesthetics 33161 LC/MS Neg 100001795 1633 356.0987 14367271 52083351 2-methoxyacetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 47031 LC/MS Neg 100001793 1949 260.02343 86290014 34448633 2-methoxyresorcinol sulfate Xenobiotics Chemical 48445 LC/MS Neg 100006184 1863 218.99688 1446269-78-8 2-methylbutyrylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos Early 100001509 3050 246.16999 31023-25-3 6426901 4932320 HMDB00378 2-methylbutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 31928 LC/MS Pos Early 100001155 2000 160.09682 52320-67-9 193872 168243 HMDB00339 2-methylserine Amino Acid Glycine, Serine and Threonine Metabolism 53229 LC/MS Pos Early 100009246 1652 120.06552 94309 85112 C02115 2-naphthol sulfate Xenobiotics Chemical 62520 LC/MS Neg 100020515 3658 223.00705 74428 67020 2-oxoarginine* Amino Acid Urea cycle; Arginine and Proline Metabolism 55072 LC/MS Pos Early 100002784 1760 174.08732 10/4/3715 558 542 C03771 HMDB04225 2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.07569 675-20-7 12665 12144 HMDB11749 2-pyrrolidinone Amino Acid Glutamate Metabolism 31675 LC/MS Pos Early 100001081 1262 86.06004 616-45-5 12025 11530 HMDB02039 21-hydroxypregnenolone disulfate Lipid Pregnenolone Steroids 46115 LC/MS Neg 100001999 3935 245.06711 1164-98-3 134595 118625 2R,3R-dihydroxybutyrate Lipid Fatty Acid, Dihydroxy 63109 LC/MS Polar 100002367 1543 119.03498 759-06-8 13120901 17215960 HMDB00498 2S,3R-dihydroxybutyrate Lipid Fatty Acid, Dihydroxy 62950 LC/MS Polar 100002284 1660 119.03498 5057-93-2 10964471 9139682 HMDB02453 3,4-dihydroxybutyrate Lipid Fatty Acid, Dihydroxy 62952 LC/MS Polar 100001730 2204 119.03498 51267-44-8 3,4-methyleneheptanoate Xenobiotics Food Component/Plant 53026 LC/MS Neg 100006651 3807 141.0921 3,5-dichloro-2,6-dihydroxybenzoic acid Xenobiotics Chemical 63589 LC/MS Polar 100021324 693 220.94138 24339141 3,7-dimethylurate Xenobiotics Xanthine Metabolism 34399 LC/MS Neg 100001398 1418 195.05236 13087-49-5 83126 74994 C16360 HMDB01982 3-(3-amino-3-carboxypropyl)uridine* Nucleotide Pyrimidine Metabolism, Uracil containing 62924 LC/MS Neg 100001426 1369 344.10993 52745-94-5 171198 149669 3-(3-hydroxyphenyl)propionate Xenobiotics Benzoate Metabolism 35635 LC/MS Neg 100001624 1980 165.05571 621-54-5 91 89 C11457 HMDB00375 3-(4-hydroxyphenyl)lactate Amino Acid Tyrosine Metabolism 32197 LC/MS Neg 240 1379 181.05063 6482-98-0 9378 9010 C03672 HMDB00755 3-(methylthio)acetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 62567 LC/MS Neg 100020827 2265 276.00059 3-(N-acetyl-L-cystein-S-yl) acetaminophen Xenobiotics Drug - Analgesics, Anesthetics 45721 LC/MS Neg 2048 2094 311.07072 52372-86-8 83967 75765 3-amino-2-piperidone Amino Acid Urea cycle; Arginine and Proline Metabolism 62853 LC/MS Pos Early 100020361 2065 115.08659 1892-22-4 5200225 4371576 HMDB00323 3-aminoisobutyrate Nucleotide Pyrimidine Metabolism, Thymine containing 1566 LC/MS Pos Early 1114 2190 104.07061 10569-72-9;214139-20-5 64956 58481 C05145 HMDB03911 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* Xenobiotics Chemical 63681 LC/MS Neg 100021707 4505 264.89087 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** Lipid Fatty Acid, Dicarboxylate 61871 LC/MS Neg 100020004 4000 267.12379 194501 168762 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) Lipid Fatty Acid, Dicarboxylate 31787 LC/MS Neg 100001178 2800 239.09249 86879-39-2 123979 110498 HMDB61112 3-ethylcatechol sulfate (1) Xenobiotics Food Component/Plant 62796 LC/MS Neg 100020851 3422 217.01761 3-formylindole Xenobiotics Food Component/Plant 62863 LC/MS Pos Early 100020219 2736 146.06004 487-89-8 10256 9838 C08493 HMDB29737 3-hydroxy-2-ethylpropionate Amino Acid Leucine, Isoleucine and Valine Metabolism 32397 LC/MS Neg 100001170 975 117.05571 4374-62-3 188979 164207 HMDB00396 3-hydroxy-2-methylpyridine sulfate Xenobiotics Chemical 63227 LC/MS Neg 100020975 1849 188.0023 3-hydroxy-3-methylglutarate Lipid Mevalonate Metabolism 531 LC/MS Polar 112 2850 161.04555 503-49-1 1662 4573695 C03761 HMDB00355 3-hydroxyadipate* Lipid Fatty Acid, Dicarboxylate 62069 LC/MS Polar 100004396 3131 161.04554 151913 133894 HMDB00345 3-hydroxybutyrate (BHBA) Lipid Ketone Bodies 542 LC/MS Polar 254 1480 103.04007 625-72-9 441 428 C01089 HMDB00357 3-hydroxybutyroylglycine** Lipid Fatty Acid Metabolism (Acyl Glycine) 62064 LC/MS Neg 100020211 889 160.06152 3-hydroxydecanoate Lipid Fatty Acid, Monohydroxy 22053 LC/MS Neg 100000997 4634.7 187.13396 5561-87-5 26612 24790 HMDB02203 3-hydroxydecanoylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 63358 LC/MS Pos Late 100021141 961 332.24315 59664325 HMDB61636 3-hydroxydodecanedioate* Lipid Fatty Acid, Dicarboxylate 62915 LC/MS Neg 100001454 2252 245.13944 34574-69-1 16663321 13628081 HMDB00413 3-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 53230 LC/MS Neg 100006367 1725 131.07136 10191-24-9 151492 133518 3-hydroxyhexanoylcarnitine (1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 62557 LC/MS Pos Early 100020825 2918 276.18055 3-hydroxyhippurate Xenobiotics Benzoate Metabolism 39600 LC/MS Neg 100002122 1687 194.04588 1637-75-8 450268 396603 HMDB06116 3-hydroxyisobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 1549 LC/MS Polar 111 1619 103.04007 2068-83-9 87 10140307 C06001 HMDB00336 3-hydroxylaurate Lipid Fatty Acid, Monohydroxy 32457 LC/MS Neg 100001112 5175 215.16526 53941-38-1 94216 85026 HMDB00387 3-hydroxymyristate Lipid Fatty Acid, Monohydroxy 21158 LC/MS Neg 100000882 5335 243.19656 3422-31-9 16064 15252 3-hydroxyoctanoate Lipid Fatty Acid, Monohydroxy 22001 LC/MS Neg 100000773 3446 159.10266 88930-08-9 26613 24791 HMDB01954 3-hydroxyoleate* Lipid Fatty Acid, Monohydroxy 61843 LC/MS Neg 100019966 5508 297.24351 3-hydroxyoleoylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 61840 LC/MS Pos Late 100019801 1406 442.3527 48061587 3-hydroxypyridine sulfate Xenobiotics Chemical 48448 LC/MS Neg 100006098 1595.5 173.98665 1955-23-3 16232314 3-hydroxysebacate Lipid Fatty Acid, Monohydroxy 31943 LC/MS Neg 100001145 1282 217.10814 73141-46-5 3017884 2285525 HMDB00350 3-hydroxystachydrine* Xenobiotics Food Component/Plant 62062 LC/MS Pos Early 100020203 1049 160.09682 442640 391002 3-hydroxystearate Lipid Fatty Acid, Monohydroxy 52938 LC/MS Neg 100008933 5674 299.25917 45261-96-9 5282907 4446034 3-indoxyl sulfate Amino Acid Tryptophan Metabolism 27672 LC/MS Neg 100000467 2222.2 212.0023 2642-37-7 10258 9840 HMDB00682 3-methoxycatechol sulfate (1) Xenobiotics Benzoate Metabolism 48763 LC/MS Neg 100006375 2163 218.99688 3-methoxycatechol sulfate (2) Xenobiotics Benzoate Metabolism 48752 LC/MS Neg 100006376 2200 218.99688 3-methoxytyramine sulfate Amino Acid Tyrosine Metabolism 44618 LC/MS Neg 100004634 1722 246.04416 21233674 3-methoxytyrosine Amino Acid Tyrosine Metabolism 12017 LC/MS Pos Early 1342 2555 212.09174 300-48-1 1670 8948 HMDB01434 3-methyl catechol sulfate (1) Xenobiotics Benzoate Metabolism 46165 LC/MS Neg 100004112 2790 203.00196 3-methyl-2-oxobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 44526 LC/MS Neg 100000936 1465 115.04006 3715-29-5 49 48 C00141 HMDB00019 3-methyl-2-oxovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 15676 LC/MS Neg 100000036 2064.2 129.05572 1460-34-0;51829-07-3 47 46 C00671 HMDB03736 3-methyladipate Lipid Fatty Acid, Dicarboxylate 36749 LC/MS Polar 100001765 2865 159.06628 1/3/3058 12292 11789 HMDB00555 3-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35132 LC/MS Pos Early 100001466 2176 258.10845 21028-20-6 159649 9164190 3-methylglutaconate Amino Acid Leucine, Isoleucine and Valine Metabolism 57747 LC/MS Polar 100002458 2700 99.04518 5746-90-7 1551553 1267861 HMDB00522 3-methylglutarate/2-methylglutarate Lipid Fatty Acid, Dicarboxylate 54676 LC/MS Polar 100010834 2832 145.05063 11781 HMDB00752 3-methylglutarylcarnitine (2) Amino Acid Leucine, Isoleucine and Valine Metabolism 46548 LC/MS Pos Early 100005850 2687 290.15982 128145 113619 HMDB00552 3-methylhistidine Amino Acid Histidine Metabolism 15677 LC/MS Neg 100000042 906.3 168.07785 368-16-1 64969 58494 C01152 HMDB00479 3-methylxanthine Xenobiotics Xanthine Metabolism 32445 LC/MS Neg 100001108 1700 165.0418 1076-22-8 70639 63805 C16357 HMDB01886 3-phenylpropionate (hydrocinnamate) Xenobiotics Benzoate Metabolism 15749 LC/MS Neg 100000010 2860 149.0608 501-52-0 107 10181339 C05629 HMDB00764 3-phosphoglycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1414 LC/MS Pos Early 132 590 187.00022 80731-10-8 724 10669764 C00597 HMDB00807 3-sulfo-L-alanine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 47089 LC/MS Polar 382 2890 167.99722 498-40-8 72886 65718 C00506 HMDB02757 3-ureidopropionate Nucleotide Pyrimidine Metabolism, Uracil containing 3155 LC/MS Polar 1053 2230 131.04621 462-88-4 111 109 C02642 HMDB00026 3b-hydroxy-5-cholenoic acid Lipid Secondary Bile Acid Metabolism 43507 LC/MS Neg 100004182 5205 373.27482 5255-17-4 92997 83950 HMDB00308 3beta,7alpha-dihydroxy-5-cholestenoate Lipid Sterol 36803 LC/MS Neg 100001611 5275 431.31668 115538-84-6 3081084 2338764 C17335 3beta-hydroxy-5-cholestenoate Lipid Sterol 54805 LC/MS Neg 100006370 5398 415.32177 6561-58-6 165511 C17333 4-acetamidobenzoate Xenobiotics Chemical 57585 LC/MS Neg 100009413 1403 178.05096 556-08-1 19266 18177 D03836 4-acetamidobutanoate Amino Acid Polyamine Metabolism 1558 LC/MS Pos Early 1113 1350 146.08117 3025-96-5 18189 17180 C02946 HMDB03681 4-acetamidophenol Xenobiotics Drug - Analgesics, Anesthetics 12032 LC/MS Neg 1383 2173.7 150.05605 103-90-2 1983 1906 C06804 HMDB01859 4-acetamidophenylglucuronide Xenobiotics Drug - Analgesics, Anesthetics 15736 LC/MS Neg 100000043 1400 326.08814 120595-80-4 83944 3239926 HMDB10316 4-acetaminophen sulfate Xenobiotics Drug - Analgesics, Anesthetics 37475 LC/MS Neg 2049 1792 230.01287 10066-90-7;32113-41-0 83939 75741 C06804 HMDB59911 4-acetylcatechol sulfate (1) Xenobiotics Food Component/Plant 62798 LC/MS Neg 100020853 1774 230.99688 4-acetylphenol sulfate Xenobiotics Benzoate Metabolism 44620 LC/MS Neg 100000711 2375 215.00196 4684006 3872009 4-allylcatechol sulfate Xenobiotics Benzoate Metabolism 63597 LC/MS Neg 100020578 3571 229.01761 4-allylphenol sulfate Xenobiotics Food Component/Plant 37181 LC/MS Neg 100001868 3805 213.0227 4-cholesten-3-one Lipid Sterol 38125 LC/MS Pos Late 100002227 2520 385.3465 601-57-0 91477 427 C00599 HMDB00921 4-ethylcatechol sulfate Xenobiotics Benzoate Metabolism 63072 LC/MS Neg 100020536 3379 217.01761 4-ethylphenylsulfate Xenobiotics Benzoate Metabolism 36099 LC/MS Neg 100001756 3580 201.0227 123-07-9 20822574 C13637 HMDB62551 4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos Early 100000096 2320 146.09241 463-003;463-00-3 500 486 C01035 HMDB03464 4-hydroxy duloxetine glucuronide* Xenobiotics Drug - Psychoactive 62480 LC/MS Neg 100020796 3705 488.13846 28516882 HMDB60763 4-hydroxy-2-oxoglutaric acid Lipid Fatty Acid, Dicarboxylate 40062 LC/MS Polar 100002537 3073 161.00916 1187-99-1 599 579 C01127 HMDB02070 4-hydroxychlorothalonil Xenobiotics Chemical 48441 LC/MS Neg 100006082 4427 244.90817 28343-61-5 34217 31530 4-hydroxycoumarin Xenobiotics Drug - Cardiovascular 37445 LC/MS Neg 100002049 2470 161.02441 1076-38-6 54682930 10254753 C20414 4-hydroxyglutamate Amino Acid Glutamate Metabolism 40499 LC/MS Pos Early 100002544 1141 164.05535 2485-33-8 439902 388936 C03079 HMDB01344 4-hydroxyhippurate Xenobiotics Benzoate Metabolism 35527 LC/MS Neg 100001423 1475 194.04588 2482-25-9 151012 133104 HMDB13678 4-hydroxyphenylacetate Amino Acid Phenylalanine Metabolism 541 LC/MS Neg 144 1361 151.04007 156-38-7 127 3881560 C00642 HMDB00020 4-hydroxyphenylacetylglutamine Peptide Acetylated Peptides 55017 LC/MS Neg 100010850 1650 279.09864 4-hydroxyphenylpyruvate Amino Acid Tyrosine Metabolism 1669 LC/MS Neg 1141 1690 179.03498 156-39-8 979 954 C01179 HMDB00707 4-methoxyphenol sulfate Amino Acid Tyrosine Metabolism 48457 LC/MS Neg 100006262 2412 203.00196 3233-60-1 4-methyl-2-oxopentanoate Amino Acid Leucine, Isoleucine and Valine Metabolism 22116 LC/MS Neg 100000551 2170 129.05571 816-66-0 70 69 C00233 HMDB00695 4-methylcatechol sulfate Xenobiotics Benzoate Metabolism 46146 LC/MS Neg 100004111 2665 203.00196 4-methylguaiacol sulfate Xenobiotics Benzoate Metabolism 48418 LC/MS Neg 100006105 2978 217.01761 756760-43-7 4-methylnonanoylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 63612 LC/MS Pos Late 100021138 1055 316.24824 4-vinylphenol sulfate Xenobiotics Benzoate Metabolism 36098 LC/MS Neg 100001755 3320 199.00705 2628-17-3 6426766 4932200 C05627 HMDB62775 5,6-dihydrothymine Nucleotide Pyrimidine Metabolism, Thymine containing 1418 LC/MS Neg 158 1637.8 127.0513 696-04-8 93556 84456 C00906 HMDB00079 5,6-dihydrouridine Nucleotide Pyrimidine Metabolism, Uracil containing 61833 LC/MS Neg 100001425 1119 245.07791 5/4/5627 94312 85115 5-(galactosylhydroxy)-L-lysine Amino Acid Lysine Metabolism 43582 LC/MS Pos Early 100002462 2755 325.16055 32448-36-5 123986 5-acetylamino-6-amino-3-methyluracil Xenobiotics Xanthine Metabolism 34424 LC/MS Polar 100001403 1710 197.06801 1196153-01-1 88299 79659 C16366 HMDB04400 5-acetylamino-6-formylamino-3-methyluracil Xenobiotics Xanthine Metabolism 34401 LC/MS Polar 100001402 1424 225.06292 85438-96-6 108214 97287 C16365 HMDB11105 5-dodecenoate (12:1n7) Lipid Medium Chain Fatty Acid 33968 LC/MS Neg 100001232 5224 197.1547 2430-94-6 5312378 4471803 HMDB00529 5-dodecenoylcarnitine (C12:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 61769 LC/MS Pos Late 100016069 1135 342.26389 HMDB13326 5-hydroxy-2-methylpyridine sulfate Xenobiotics Chemical 63230 LC/MS Neg 100020973 2074 188.0023 5-hydroxy-6-methoxy duloxetine sulfate* Xenobiotics Drug - Psychoactive 62481 LC/MS Neg 100020798 3807 422.07375 25061067 5-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 31938 LC/MS Neg 100001148 1267 131.07136 44843-89-2 170748 149280 HMDB00525 5-hydroxylysine Amino Acid Lysine Metabolism 15685 LC/MS Pos Early 100000054 2790 163.10772 13204-98-3 1029 1002 C16741 HMDB00450 5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism 1419 LC/MS Pos Early 212 2752 298.09684 2457-80-9 439176 388321 C00170 HMDB01173 5-methyluridine (ribothymidine) Nucleotide Pyrimidine Metabolism, Uracil containing 35136 LC/MS Neg 100001446 1778.1 257.07791 1463-10-1 445408 393058 HMDB00884 5-oxoproline Amino Acid Glutathione Metabolism 1494 LC/MS Neg 1021 738.5 128.03531 98-79-3 7405 7127 C01879 HMDB00267 5alpha-androstan-3alpha,17alpha-diol monosulfate Lipid Androgenic Steroids 37183 LC/MS Neg 100002008 5208 371.18976 5alpha-androstan-3alpha,17beta-diol disulfate Lipid Androgenic Steroids 37184 LC/MS Neg 100002017 4275 225.06965 5alpha-androstan-3alpha,17beta-diol monosulfate (1) Lipid Androgenic Steroids 37186 LC/MS Neg 100002018 4925 371.18976 5alpha-androstan-3alpha,17beta-diol monosulfate (2) Lipid Androgenic Steroids 37185 LC/MS Neg 100006005 5080 371.18976 5alpha-androstan-3beta,17alpha-diol disulfate Lipid Androgenic Steroids 37187 LC/MS Neg 100002021 4215 225.06965 5alpha-androstan-3beta,17beta-diol disulfate Lipid Androgenic Steroids 37190 LC/MS Neg 100001987 3880 225.06965 571-20-0 242332 C12525 HMDB00493 5alpha-androstan-3beta,17beta-diol monosulfate (2) Lipid Androgenic Steroids 37192 LC/MS Neg 100002024 4685 371.18976 5alpha-pregnan-3beta,20alpha-diol disulfate Lipid Progestin Steroids 37198 LC/MS Neg 100001988 3962 239.0853 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) Lipid Progestin Steroids 37200 LC/MS Neg 100002014 5060 399.22106 5alpha-pregnan-3beta,20beta-diol monosulfate (1) Lipid Progestin Steroids 37196 LC/MS Neg 100002009 5180 399.22106 5alpha-pregnan-diol disulfate Lipid Progestin Steroids 46172 LC/MS Neg 100002015 4310 239.0853 5127902 4302261 6-bromotryptophan Amino Acid Tryptophan Metabolism 62503 LC/MS Neg 100020414 3565 280.99311 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 Neg 100004499 965 142.05096 34622-39-4 3014237 2282737 HMDB61705 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) Lipid Sterol 36776 LC/MS Neg 100001609 5288.1 429.30103 115538-85-7 3081085 2338765 C17337 HMDB12458 7-methylguanine Nucleotide Purine Metabolism, Guanine containing 35114 LC/MS Pos Early 100001456 2175 166.07234 578-76-7 11361 10883 C02242 HMDB00897 7-methylurate Xenobiotics Xanthine Metabolism 39598 LC/MS Pos Early 100002241 1321 183.05127 612-37-3 69160 62375 C16355 HMDB11107 7-methylxanthine Xenobiotics Xanthine Metabolism 34390 LC/MS Pos Early 100001396 1350 167.05636 552-62-5 68374 61660 C16353 HMDB01991 8-methoxykynurenate Amino Acid Tryptophan Metabolism 62955 LC/MS Neg 100020360 2863 218.04588 2929-14-8 76230 68710 C05830 HMDB60426 9,10-DiHOME Lipid Fatty Acid, Dihydroxy 38399 LC/MS Neg 179 5180 313.23843 263399-34-4 9966640 8142232 C14828 HMDB04704 9-hydroxystearate Lipid Fatty Acid, Monohydroxy 47120 LC/MS Neg 100005834 5384 299.25917 25498-28-6 9570127 7844595 HMDB61661 acesulfame Xenobiotics Food Component/Plant 48569 LC/MS Neg 100006203 1581 161.98665 55589-62-3 36573 33607 HMDB33585 acetoacetate Lipid Ketone Bodies 33963 LC/MS Pos Early 1218 1062 103.03898 11/2/3483 96 94 C00164 HMDB00060 acetylcarnitine (C2) Lipid Fatty Acid Metabolism (Acyl Carnitine, Short Chain) 32198 LC/MS Pos Early 100000802 2282 204.12304 5080-50-2 1 5406074 C02571 HMDB00201 acisoga Amino Acid Polyamine Metabolism 43258 LC/MS Neg 100004541 2297 183.1139 106692-36-8 129397 114601 aconitate [cis or trans] Energy TCA Cycle 46173 LC/MS Neg 100001359 580 173.00916 adenine Nucleotide Purine Metabolism, Adenine containing 554 LC/MS Pos Early 880 2221 136.06178 73-24-5 190 185 C00147 HMDB00034 adenosine 5'-diphosphate (ADP) Nucleotide Purine Metabolism, Adenine containing 3108 LC/MS Pos Early 208 607 428.0367 20398-34-9 6022 5800 C00008 HMDB01341 adenosine 5'-diphosphoribose (ADP-ribose) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 558 LC/MS Neg 215 920 558.06439 68414-18-6 192 3674071 C00301 HMDB01178 adenosine 5'-monophosphate (AMP) Nucleotide Purine Metabolism, Adenine containing 32342 LC/MS Pos Early 209 1013 348.07037 149022-20-8 6083 10239183 C00020 HMDB00045 adipoylcarnitine (C6-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 52988 LC/MS Pos Early 100006614 2570 290.15982 71296139 28540385 HMDB61677 adrenate (22:4n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 32980 LC/MS Neg 100001193 5678 331.26425 2091-25-0 5497181 4445971 C16527 HMDB02226 alanine Amino Acid Alanine and Aspartate Metabolism 1126 LC/MS Pos Early 811 1700 90.05496 56-41-7 5950 5735 C00041 HMDB00161 allantoin Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1107 LC/MS Polar 1002 1672 157.03671 97-59-6 204 199 C02350 HMDB00462 alliin Xenobiotics Food Component/Plant 41494 LC/MS Pos Early 100003473 1470 178.05324 556-27-4 87310 78760 C08265 HMDB33592 allo-threonine Amino Acid Glycine, Serine and Threonine Metabolism 15142 LC/MS Polar 100000272 2511.1 118.05096 28954-12-3 99289 89699 C05519 HMDB04041 allopurinol Xenobiotics Drug - Metabolic 43534 LC/MS Neg 100004518 1530 135.03123 315-30-0 2094 2010 allopurinol riboside Xenobiotics Drug - Metabolic 38321 LC/MS Pos Early 100002454 1286 269.08805 16220-07-8 alpha-CEHC sulfate Cofactors and Vitamins Tocopherol Metabolism 47666 LC/MS Neg 100005972 3090 357.10134 alpha-hydroxycaproate Lipid Fatty Acid, Monohydroxy 37073 LC/MS Neg 100001723 1920 131.07136 6064-63-7 99824 90191 HMDB01624 alpha-hydroxyisocaproate Amino Acid Leucine, Isoleucine and Valine Metabolism 22132 LC/MS Neg 100000706 1840 131.07136 10303-64-7 83697 75520 C03264 HMDB00746 alpha-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 33937 LC/MS Neg 100001300 1126 117.05571 600-37-3 99823 90190 HMDB00407 alpha-ketobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 4968 LC/MS Polar 796 940 101.02442 600-18-0 58 2829426 C00109 HMDB00005 alpha-ketoglutaramate* Amino Acid Glutamate Metabolism 62101 LC/MS Polar 100002397 1916 144.03023 18465-19-5 48 alpha-ketoglutarate Energy TCA Cycle 528 LC/MS Polar 93 2700 145.01425 305-72-6;328-50-7;22202-68-2 51 50 C00026 HMDB00208 alpha-tocopherol Cofactors and Vitamins Tocopherol Metabolism 1561 LC/MS Pos Late 1105 2522 430.37818 59-02-9;10191-41-0 14985 14265 C02477 HMDB01893 andro steroid monosulfate C19H28O6S (1)* Lipid Androgenic Steroids 32827 LC/MS Neg 100002152 3871 383.1534 C04555 HMDB02759 androstenediol (3alpha, 17alpha) monosulfate (2) Lipid Androgenic Steroids 37207 LC/MS Neg 100002026 4712 369.17411 androstenediol (3alpha, 17alpha) monosulfate (3) Lipid Androgenic Steroids 37209 LC/MS Neg 100002027 5180 369.17411 androstenediol (3beta,17beta) disulfate (1) Lipid Androgenic Steroids 37202 LC/MS Neg 100001992 3740 224.06182 87120982 C04295 HMDB03818 androstenediol (3beta,17beta) disulfate (2) Lipid Androgenic Steroids 37203 LC/MS Neg 100001994 4065 224.0624 87120982 C04295 HMDB03818 androstenediol (3beta,17beta) monosulfate (1) Lipid Androgenic Steroids 37211 LC/MS Neg 100002028 4535 369.17411 521-17-5 13847309 HMDB03818 androstenediol (3beta,17beta) monosulfate (2) Lipid Androgenic Steroids 37210 LC/MS Neg 100002029 4500 369.17411 androsterone glucuronide Lipid Androgenic Steroids 61846 LC/MS Neg 100002761 4953 465.24939 1852-43-3 114833 102793 C11135 HMDB02829 androsterone sulfate Lipid Androgenic Steroids 31591 LC/MS Neg 100001073 5022 369.17411 2479-86-9 159663 19988780 HMDB02759 arabinose Carbohydrate Pentose Metabolism 575 LC/MS Polar 828 1804.5 195.05103 28697-53-2 66308 59687 C00216 HMDB00646 arabitol/xylitol Carbohydrate Pentose Metabolism 48885 LC/MS Polar 100006430 1932.4 151.0612 6912 C01904 arabonate/xylonate Carbohydrate Pentose Metabolism 48255 LC/MS Polar 100006115 2700 165.04046 arachidate (20:0) Lipid Long Chain Saturated Fatty Acid 1118 LC/MS Neg 893 6240 311.29555 506-30-9 10467 10035 C06425 HMDB02212 arachidonate (20:4n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1110 LC/MS Neg 229 5535 303.23295 506-32-1 444899 392692 C00219 HMDB01043 arachidonoylcarnitine (C20:4) Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57518 LC/MS Pos Late 100015837 1353 448.34215 arachidonoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53261 LC/MS Pos Late 100009332 1390 390.33666 arachidoylcarnitine (C20)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57513 LC/MS Pos Late 100015833 1512 456.40474 28639199 HMDB06460 argininate* Amino Acid Urea cycle; Arginine and Proline Metabolism 57461 LC/MS Pos Early 100002769 2150 176.10297 157-07-3 160437 140984 HMDB03148 arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos Early 231 2825 175.11896 1119-34-2 232 227 C00062 HMDB00517 ascorbate (Vitamin C) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 32354 LC/MS Pos Early 233 770 177.03937 134-03-2 54670067 10189562 C00072 HMDB00044 ascorbic acid 2-sulfate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 63590 LC/MS Polar 100009329 3042 254.98162 86484 77998 ascorbic acid 3-sulfate* Cofactors and Vitamins Ascorbate and Aldarate Metabolism 63687 LC/MS Polar 100020409 2025 254.98146 11425365 9600241 asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Pos Early 917 1225 133.06077 70-47-3 6267 6031 C00152 HMDB00168 aspartate Amino Acid Alanine and Aspartate Metabolism 443 LC/MS Pos Early 234 1165 134.04479 56-84-8 5960 5745 C00049 HMDB00191 atenolol Xenobiotics Drug - Cardiovascular 38658 LC/MS Pos Early 100002726 2668 267.17032 29122-68-7 2249 2162 D00235 HMDB01924 azelate (C9-DC) Lipid Fatty Acid, Dicarboxylate 18362 LC/MS Polar 2029 2520 187.09758 123-99-9 2266 2179 C08261 HMDB00784 behenoylcarnitine (C22)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57514 LC/MS Pos Late 100015832 1561 484.43604 28639204 benzoate Xenobiotics Benzoate Metabolism 15778 LC/MS Neg 100000008 1750 121.0295 65-85-0 243 238 C00180 HMDB01870 beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 55 LC/MS Pos Early 244 1905 90.05496 56-41-7;107-95-9 239 234 C00099 HMDB00056 beta-citrylglutamate Amino Acid Glutamate Metabolism 54923 LC/MS Neg 100003271 530 320.06232 73590-26-8 72715786 19992713 C20775 beta-cryptoxanthin Cofactors and Vitamins Vitamin A Metabolism 57591 LC/MS Pos Late 100001977 2560 552.43257 472-70-8 6384256 4904571 HMDB33844 beta-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 12129 LC/MS Neg 1442 1027 117.05572 625-08-1 69362 62571 HMDB00754 beta-hydroxyisovaleroylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 35433 LC/MS Pos Early 100001594 2584 262.1649 99159-87-2 21403176 beta-sitosterol Lipid Sterol 27414 LC/MS Pos Late 100001033 3054 397.38289 83-46-5 222284 192962 C01753 HMDB00852 betaine Amino Acid Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos Early 799 1064 118.08626 107-43-7 247 24,219,951,173 C00719 HMDB00043 betonicine Xenobiotics Food Component/Plant 38100 LC/MS Pos Early 100002153 1012 160.09682 515-25-3 164642 144333 C08269 HMDB29412 bilirubin (E,E)* Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 32586 LC/MS Pos Late 100001950 1045 585.27076 5315454 4474753 bilirubin (E,Z or Z,E)* Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 47886 LC/MS Pos Late 100001951 1265 585.27076 5799469 4705847 HMDB00488 bilirubin (Z,Z) Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 43807 LC/MS Pos Late 1090 1840 585.27076 635-65-4 5280352 4444055 C00486 HMDB00054 biliverdin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 2137 LC/MS Pos Late 250 1016 583.25512 55482-27-4;55482-27-4 5353439 10628548 C00500 HMDB01008 branched chain 14:0 dicarboxylic acid** Lipid Fatty Acid, Dicarboxylate 63191 LC/MS Neg 100021374 3849 257.17583 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* Partially Characterized Molecules Partially Characterized Molecules 63615 LC/MS Neg 100021666 4805 169.1234 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* Partially Characterized Molecules Partially Characterized Molecules 63616 LC/MS Neg 100021667 4853 169.1234 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (3)* Partially Characterized Molecules Partially Characterized Molecules 63617 LC/MS Neg 100021668 4931 169.1234 branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* Partially Characterized Molecules Partially Characterized Molecules 63683 LC/MS Neg 100021709 5261 197.15457 butyrate (4:0) Lipid Short Chain Fatty Acid 40605 LC/MS Neg 1143 1062 87.04515 109-92-6 264 259 C00246 HMDB00039 butyrylcarnitine (C4) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32412 LC/MS Pos Early 100001054 2860 232.15434 25576-40-3 439829 184820 C02862 HMDB02013 butyrylglycine Lipid Fatty Acid Metabolism (also BCAA Metabolism) 31850 LC/MS Neg 100001151 1470 144.06661 20208-73-5 88412 79766 HMDB00808 C-glycosyltryptophan Amino Acid Tryptophan Metabolism 48782 LC/MS Neg 100006379 1777 365.13542 180509-18-6 10981970 9157171 caffeic acid sulfate Xenobiotics Food Component/Plant 53254 LC/MS Polar 100009337 1307 258.99179 30777608 HMDB41708 caffeine Xenobiotics Xanthine Metabolism 569 LC/MS Pos Early 849 2106 195.08766 58-08-2 2519 2424 C07481 HMDB01847 caprate (10:0) Lipid Medium Chain Fatty Acid 1642 LC/MS Neg 888 5090.7 171.13905 334-48-5 2969 2863 C01571 HMDB00511 caproate (6:0) Lipid Medium Chain Fatty Acid 32489 LC/MS Neg 926 2713.7 115.07645 142-62-1 8892 8552 C01585 HMDB00535 caprylate (8:0) Lipid Medium Chain Fatty Acid 32492 LC/MS Neg 932 4362 143.10775 124-07-2 379 370 C06423 HMDB00482 carboxyethyl-GABA Amino Acid Glutamate Metabolism 40007 LC/MS Pos Early 100003260 2085 176.09174 3/2/4386 2572 2474 HMDB02201 carboxyibuprofen Xenobiotics Drug - Analgesics, Anesthetics 43333 LC/MS Neg 100004171 1920 235.09758 15935-54-3 10444113 8619532 HMDB60564 carnitine Lipid Carnitine Metabolism 15500 LC/MS Pos Early 100000007 1978 162.11247 461-05-2 10917 10455 C00318 HMDB00062 carnitine of C10H14O2 (5)* Partially Characterized Molecules Partially Characterized Molecules 63650 LC/MS Neg 100021678 4521 370.18711 carotene diol (1) Cofactors and Vitamins Vitamin A Metabolism 57635 LC/MS Pos Late 100015966 1720 568.42759 carotene diol (2) Cofactors and Vitamins Vitamin A Metabolism 57636 LC/MS Pos Late 100015967 1904 568.42793 carotene diol (3) Cofactors and Vitamins Vitamin A Metabolism 57637 LC/MS Pos Late 100015968 1948 568.42786 catechol sulfate Xenobiotics Benzoate Metabolism 35320 LC/MS Neg 100001605 1906 188.98631 4918-96-1 3083879 2341024 HMDB59724 celecoxib Xenobiotics Drug - Analgesics, Anesthetics 38599 LC/MS Neg 100002805 5283 380.0686 169590-42-5 2662 2562 C07589 HMDB05014 cerotoylcarnitine (C26)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57516 LC/MS Pos Late 100015835 1649 540.49864 35015992 HMDB06347 cetirizine Xenobiotics Drug - Respiratory 54745 LC/MS Pos Late 100009034 1052 389.16265 83881-51-0 2678 2577 C07778 HMDB05032 chenodeoxycholate Lipid Primary Bile Acid Metabolism 1563 LC/MS Neg 1123 5264 391.28538 474-24-9;474-25-9 10133 C02528 HMDB00518 chiro-inositol Lipid Inositol Metabolism 37112 LC/MS Polar 100001859 3191.2 225.06159 643-12-9 10254647 C19891 HMDB34220 chlorthalidone Xenobiotics Drug - Cardiovascular 54784 LC/MS Neg 100006181 3600 337.00553 77-36-1 2732 2631 D00272 cholate Lipid Primary Bile Acid Metabolism 22842 LC/MS Neg 136 5165 407.28029 81-25-4 221493 C00695 HMDB00619 cholesterol Lipid Sterol 63 LC/MS Pos Late 266 2707 369.35159 57-88-5 11025495 4937803 C00187 HMDB00067 choline Lipid Phospholipid Metabolism 15506 LC/MS Pos Early 1256 1961 104.10699 67-48-1 305 149278 C00114 HMDB00097 choline phosphate Lipid Phospholipid Metabolism 34396 LC/MS Pos Early 267 700 184.07332 72556-74-2 1014 119298 C00588 HMDB01565 cimetidine Xenobiotics Drug - Gastrointestinal 42592 LC/MS Pos Early 100004011 2715 253.123 51481-61-9 cinnamoylglycine Xenobiotics Food Component/Plant 38637 LC/MS Neg 100002253 3127 204.06661 16534-24-0 709625 618829 HMDB11621 cis-4-decenoate (10:1n6)* Lipid Medium Chain Fatty Acid 62873 LC/MS Neg 100002796 4890 169.1234 505-90-8 5312351 4471776 cis-4-decenoylcarnitine (C10:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 38178 LC/MS Pos Late 100002259 1057 314.23259 98930-66-6 28639171 citalopram N-oxide* Xenobiotics Drug - Psychoactive 62476 LC/MS Pos Late 100020792 905 341.16599 10068142 8243682 C16607 HMDB60654 citalopram propionate* Xenobiotics Drug - Psychoactive 62479 LC/MS Neg 100020793 4400 310.08849 10403174 8578612 C16610 HMDB60463 citraconate/glutaconate Energy TCA Cycle 47076 LC/MS Polar 100006438 2600 129.0194 citrate Energy TCA Cycle 1564 LC/MS Neg 1124 582 191.01973 77-92-9 311 305 C00158 HMDB00094 citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos Early 391 1520 176.10297 372-75-8 9750 810 C00327 HMDB00904 cortisol Lipid Corticosteroids 1712 LC/MS Neg 356 4710 361.20204 50-23-7 5754 C00735 HMDB00063 cortisone Lipid Corticosteroids 1769 LC/MS Neg 273 4575 359.18639 53-06-5 222786 361685 C00762 HMDB02802 cortolone glucuronide (1) Lipid Corticosteroids 57699 LC/MS Neg 100015971 4600 541.26543 cotinine Xenobiotics Tobacco Metabolite 553 LC/MS Pos Early 848 2213 177.10224 486-56-6 854019 746405 HMDB01046 creatine Amino Acid Creatine Metabolism 27718 LC/MS Pos Early 1221 1947 132.07676 57-00-1 586 566 C00300 HMDB00064 creatinine Amino Acid Creatine Metabolism 513 LC/MS Pos Early 275 2055 114.06619 60-27-5 588 568 C00791 HMDB00562 cys-gly, oxidized Amino Acid Glutathione Metabolism 18368 LC/MS Pos Early 1224 2947 355.07406 7729-20-6 333293 295316 cystathionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 15705 LC/MS Pos Early 310 2270 223.07471 535-34-2 439258 811 C02291 HMDB00099 cysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1868 LC/MS Pos Early 800 1475 122.02703 52-90-4;56-89-3 5862 5653 C00097 HMDB00574 cysteine s-sulfate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Polar 100000808 2273 199.96928 1637-71-4 115015 102939 C05824 HMDB00731 cysteine-glutathione disulfide Amino Acid Glutathione Metabolism 35159 LC/MS Pos Early 100001437 2465 427.09519 13081-14-6 4247235 3455404 HMDB00656 cysteinylglycine Amino Acid Glutathione Metabolism 35637 LC/MS Pos Early 278 2132 179.0485 19246-18-5 439498 58762 C01419 HMDB00078 cysteinylglycine disulfide* Amino Acid Glutathione Metabolism 62103 LC/MS Pos Early 100002466 2547 298.05259 70555-24-7 17215992 HMDB00709 cystine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos Early 279 2000 241.03113 56-89-3 67678 575 C00491 HMDB00192 cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Neg 827 1325 242.07824 65-46-3 6175 5940 C00475 HMDB00089 decadienedioic acid (C10:2-DC)** Lipid Fatty Acid, Dicarboxylate 63685 LC/MS Polar 100021711 2329.7 197.08185 decanoylcarnitine (C10) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 33941 LC/MS Pos Late 100001251 1130 316.24824 1492-27-9 10245190 8420677 HMDB00651 dehydroepiandrosterone sulfate (DHEA-S) Lipid Androgenic Steroids 32425 LC/MS Neg 100000792 4745 367.15846 651-48-9 12594 12074 C04555 HMDB01032 delta-CEHC Cofactors and Vitamins Tocopherol Metabolism 62287 LC/MS Neg 100020416 3422 249.11323 84599-16-6 11536125 9710906 deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos Early 100001662 2052 146.11756 6249-56-5 134 705 C01181 HMDB01161 deoxycholate Lipid Secondary Bile Acid Metabolism 1114 LC/MS Neg 302 5294 391.28538 83-44-3 222528 389318 C04483 HMDB00626 deoxycholic acid (12 or 24)-sulfate* Lipid Secondary Bile Acid Metabolism 63688 LC/MS Neg 100021712 4580 235.11746 deoxycholic acid glucuronide Lipid Secondary Bile Acid Metabolism 63610 LC/MS Neg 100020550 4800 567.31747 desmethylcitalopram* Xenobiotics Drug - Psychoactive 62477 LC/MS Pos Late 100020790 880 311.15542 162180 142424 C16608 HMDB14021,HMDB60576 desmethylnaproxen Xenobiotics Drug - Analgesics, Anesthetics 46331 LC/MS Neg 100001787 3045 215.07136 52079-10-4 13393711 18640362 HMDB13989 desmethylnaproxen sulfate Xenobiotics Drug - Analgesics, Anesthetics 46106 LC/MS Neg 100001788 2250 295.02818 184679 160559 didesmethylcitalopram* Xenobiotics Drug - Psychoactive 62478 LC/MS Pos Late 100020791 876 297.13977 23935928 dihomo-linoleate (20:2n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 17805 LC/MS Neg 1231 5730 307.26425 2091-39-6 6439848 4944228 C16525 HMDB05060 dihomo-linolenate (20:3n3 or n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 35718 LC/MS Neg 100001739 5596 305.2486 17046-59-2 5280581 4471954 C03242 HMDB02925 dihomo-linolenoyl-choline Lipid Fatty Acid Metabolism (Acyl Choline) 53262 LC/MS Pos Late 100009335 1424 392.35231 dihomo-linolenoylcarnitine (C20:3n3 or 6)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57521 LC/MS Pos Late 100015840 1392 450.35777 dihomo-linoleoylcarnitine (C20:2)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57520 LC/MS Pos Late 100015839 1436 452.37343 dihydrocaffeate sulfate (2) Xenobiotics Food Component/Plant 62524 LC/MS Polar 100020822 1328 261.00744 49844181 dihydroorotate Nucleotide Pyrimidine Metabolism, Orotate containing 601 LC/MS Polar 923 1910 157.02548 155-54-4 648 628 C00337 HMDB03349 diltiazem Xenobiotics Drug - Cardiovascular 42981 LC/MS Pos Late 100004015 888 415.16861 33286-22-5 39186 35850 C06958 HMDB14487 dimethyl sulfone Xenobiotics Chemical 43424 LC/MS Pos Early 100004284 832 95.01613 67-71-0 6213 5978 C11142 HMDB04983 dimethylarginine (SDMA + ADMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos Early 100001810 2850 203.15026 102783-24-4 123831 110375 C03626 HMDB01539 dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos Early 806 1104 104.07061 1118-68-9 673 653 C01026 HMDB00092 docosadienoate (22:2n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 32415 LC/MS Neg 100001182 6034 335.29555 7370-49-2 5282807 4445934 C16533 HMDB61714 docosadioate (C22-DC) Lipid Fatty Acid, Dicarboxylate 39837 LC/MS Neg 100002952 5291.8 369.30103 505-56-6 244872 214170 C19625 docosahexaenoate (DHA; 22:6n3) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 44675 LC/MS Neg 100000665 5525 327.23295 6217-54-5 445580 393183 C06429 HMDB02183 docosahexaenoylcarnitine (C22:6)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57523 LC/MS Pos Late 100015845 1349 472.34215 docosahexaenoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53263 LC/MS Pos Late 100009333 1378 414.33666 docosapentaenoate (n3 DPA; 22:5n3) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 32504 LC/MS Neg 100001181 5571 329.2486 2234-74-4 6441454 C16513 HMDB06528 docosapentaenoate (n6 DPA; 22:5n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 37478 LC/MS Neg 100001580 5624.5 329.2486 25182-74-5 6441454 4945614 C16513 HMDB01976 docosatrienoate (22:3n3) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 32417 LC/MS Neg 100001195 5823 333.2799 59708-86-0 5312556 4471981 C16534 HMDB02823 dodecadienoate (12:2)* Lipid Fatty Acid, Dicarboxylate 62276 LC/MS Neg 100020478 5146 195.13905 dodecanedioate (C12-DC) Lipid Fatty Acid, Dicarboxylate 32388 LC/MS Neg 100001102 2990 229.14453 693-23-2 12736 12213 C02678 HMDB00623 dodecenedioate (C12:1-DC)* Lipid Fatty Acid, Dicarboxylate 61864 LC/MS Neg 100019972 2700 227.12887 dopamine 3-O-sulfate Amino Acid Tyrosine Metabolism 48407 LC/MS Neg 100006361 1556.2 232.02845 122136 108936 C13690 HMDB06275 ectoine Xenobiotics Chemical 35651 LC/MS Pos Early 100001635 1980 143.08151 96702-03-3 126041 112069 C06231 EDTA Xenobiotics Chemical 22163 LC/MS Neg 100001002 643 291.08339 60-00-4 6049 5826 C00284 HMDB15109 eicosanedioate (C20-DC) Lipid Fatty Acid, Dicarboxylate 39831 LC/MS Neg 100002951 5200.9 341.26973 2424-92-2 75502 68030 eicosapentaenoate (EPA; 20:5n3) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 18467 LC/MS Neg 2050 5450 301.2173 10-2005-9;10417-94-4 446284 393682 C06428 HMDB01999 eicosenedioate (C20:1-DC)* Lipid Fatty Acid, Dicarboxylate 62923 LC/MS Neg 100021105 5095 339.25407 eicosenoate (20:1) Lipid Long Chain Monounsaturated Fatty Acid 33587 LC/MS Neg 100001335 5950 309.2799 5282768 4445895 C16526 HMDB02231 eicosenoylcarnitine (C20:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57519 LC/MS Pos Late 100015838 1484 454.38909 epiandrosterone sulfate Lipid Androgenic Steroids 33973 LC/MS Neg 100001287 4855 369.17411 22229-22-7 9929317 21403101 ergothioneine Xenobiotics Food Component/Plant 37459 LC/MS Pos Early 100002154 850 230.09578 58511-63-0 3032311 2297320 C05570 HMDB03045 erucate (22:1n9) Lipid Long Chain Monounsaturated Fatty Acid 1552 LC/MS Neg 1087 6355.6 337.3112 112-86-7 5281116 7924 C08316 HMDB02068 erythritol Xenobiotics Food Component/Plant 20699 LC/MS Polar 100000846 1491 167.05611 149-32-6 222285 13835932 C00503 HMDB02994 erythronate* Carbohydrate Aminosugar Metabolism 42420 LC/MS Polar 100001320 2186 135.02989 88759-55-1 2781043 2061231 HMDB00613 escitalopram Xenobiotics Drug - Psychoactive 40459 LC/MS Pos Late 100003444 908 325.17107 219861-08-2 146570 129277 D07913 HMDB05028 ethyl alpha-glucopyranoside Xenobiotics Food Component/Plant 63152 LC/MS Neg 100015965 1576 207.08741 34625-23-5 428040 378664 ethylmalonate Amino Acid Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 2054 2785 131.03498 601-75-2 11756 11263 HMDB00622 ethylparaben sulfate Xenobiotics Chemical 48463 LC/MS Neg 100006271 3445 245.01253 162338-11-6 etiocholanolone glucuronide Lipid Androgenic Steroids 47112 LC/MS Neg 100005403 4915 465.24939 9/3/3602 270605 HMDB04484 eugenol sulfate Xenobiotics Food Component/Plant 48715 LC/MS Neg 100006171 3782 243.03326 95480-60-7 180632 157181 febuxostat Xenobiotics Drug - Metabolic 63734 LC/MS Neg 100021748 4748 315.08088 144060-53-7 134018 118173 D01206 fexofenadine Xenobiotics Drug - Respiratory 42021 LC/MS Pos Late 100004018 944 502.29519 83799-24-0 3348 3231 C06999 HMDB05030 Fibrinopeptide A (2-15)** Peptide Fibrinogen Cleavage Peptide 62809 LC/MS Neg 100020902 2120 653.26621 Fibrinopeptide A (3-16)** Peptide Fibrinogen Cleavage Peptide 62811 LC/MS Neg 100020903 2786 673.8033 Fibrinopeptide A (5-16)* Peptide Fibrinogen Cleavage Peptide 62148 LC/MS Neg 100020274 2850 601.77795 Fibrinopeptide A* Peptide Fibrinogen Cleavage Peptide 57709 LC/MS Neg 100001322 2474 766.83533 25422-31-5 16133137 14654187 Fibrinopeptide A, des-ala(1)* Peptide Fibrinogen Cleavage Peptide 31548 LC/MS Neg 100001323 2535 731.31677 21403111 Fibrinopeptide A, phosphono-ser(3)* Peptide Fibrinogen Cleavage Peptide 57712 LC/MS Neg 100001324 2016 806.81849 886023-52-5 21403112 Fibrinopeptide B (1-11)** Peptide Fibrinogen Cleavage Peptide 62815 LC/MS Neg 100020912 2389 411.48897 Fibrinopeptide B (1-12)** Peptide Fibrinogen Cleavage Peptide 62814 LC/MS Neg 100020910 2366 661.25311 Fibrinopeptide B (1-13)** Peptide Fibrinogen Cleavage Peptide 62813 LC/MS Neg 100020908 2482 696.77166 flavin adenine dinucleotide (FAD) Cofactors and Vitamins Riboflavin Metabolism 2134 LC/MS Neg 327 2425 784.14985 146-14-5;84366-81-4 643975 559059 C00016 HMDB01248 fluoxetine Xenobiotics Drug - Psychoactive 44619 LC/MS Pos Late 1382 1025 310.14133 59333-67-4 3386 3269 D00326 formiminoglutamate Amino Acid Histidine Metabolism 43493 LC/MS Pos Early 100002500 1880 175.07134 816-90-0 439233 388370 C00439 HMDB00854 fructose Carbohydrate Fructose, Mannose and Galactose Metabolism 48195 LC/MS Polar 878 2065 225.06159 57-48-7 5984 5764 C00095 HMDB00660 fructosyllysine Amino Acid Lysine Metabolism 46227 LC/MS Pos Early 100005373 2784 309.16563 21291-40-7 123708 110281 fumarate Energy TCA Cycle 1643 LC/MS Polar 330 3084 115.00368 100-17-8 444972 10197150 C00122 HMDB00134 gabapentin Xenobiotics Drug - Neurological 38686 LC/MS Neg 100002806 2407.4 170.11865 60142-96-3 3446 3328 D00332 HMDB05015 galactonate Carbohydrate Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 100001026 3085 195.05102 299-28-5 128869 114198 C00880 HMDB00565 gamma-carboxyglutamate Amino Acid Glutamate Metabolism 38754 LC/MS Pos Early 100002679 903 192.05027 56271-99-9 40772 37241 HMDB41900 gamma-CEHC Cofactors and Vitamins Tocopherol Metabolism 44876 LC/MS Neg 100002094 3843 263.12888 178167-75-4 133098 117455 HMDB01931 gamma-CEHC glucuronide* Cofactors and Vitamins Tocopherol Metabolism 42381 LC/MS Neg 100004243 2500 439.16097 gamma-glutamyl-2-aminobutyrate Peptide Gamma-glutamyl Amino Acid 37092 LC/MS Pos Early 100001502 2380 233.1132 16869-42-4 21403151 gamma-glutamyl-alpha-lysine Peptide Gamma-glutamyl Amino Acid 55015 LC/MS Pos Early 100010901 2784 276.1554 65254 58747 gamma-glutamyl-epsilon-lysine Peptide Gamma-glutamyl Amino Acid 33934 LC/MS Pos Early 100001262 2725 276.1554 17105-15-6 7015685 5378717 HMDB03869 gamma-glutamylcitrulline* Peptide Gamma-glutamyl Amino Acid 62104 LC/MS Pos Early 100020241 1644 305.14556 gamma-glutamylglutamate Peptide Gamma-glutamyl Amino Acid 36738 LC/MS Pos Early 331 1775 277.10303 1116-22-9 92865 83831 C05282 HMDB11737 gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid 2730 LC/MS Pos Early 1140 1430 276.11902 10148-81-9 150914 133013 C05283 HMDB11738 gamma-glutamylglycine Peptide Gamma-glutamyl Amino Acid 33949 LC/MS Pos Early 100001294 1535 205.0819 1948-29-4 165527 145071 HMDB11667 gamma-glutamylhistidine Peptide Gamma-glutamyl Amino Acid 18245 LC/MS Pos Early 1235 2740 285.11935 37460-15-4 7017195 5380197 gamma-glutamylisoleucine* Peptide Gamma-glutamyl Amino Acid 34456 LC/MS Pos Early 100001485 2940 261.1445 14253342 21403145 HMDB11170 gamma-glutamylleucine Peptide Gamma-glutamyl Amino Acid 18369 LC/MS Pos Early 1268 2991 261.1445 2566-39-4 151023 133115 HMDB11171 gamma-glutamylmethionine Peptide Gamma-glutamyl Amino Acid 44872 LC/MS Pos Early 100001313 2640 279.10092 17663-87-5 7009567 5373147 HMDB29155 gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid 33422 LC/MS Pos Early 100000491 2992 295.12885 7432-24-8 111299 99868 HMDB00594 gamma-glutamylthreonine Peptide Gamma-glutamyl Amino Acid 33364 LC/MS Pos Early 100001314 1750 249.10812 5652-48-2 76078708 21403107 HMDB29159 gamma-glutamyltryptophan Peptide Gamma-glutamyl Amino Acid 33947 LC/MS Neg 100001295 1960 332.12519 66471-20-3 3989307 2302065 HMDB29160 gamma-glutamyltyrosine Peptide Gamma-glutamyl Amino Acid 2734 LC/MS Neg 1102 1240 309.10921 7432-23-7 94340 85142 HMDB11741 gamma-glutamylvaline Peptide Gamma-glutamyl Amino Acid 43829 LC/MS Pos Early 100001126 2700 247.12885 2746-34-1 7015683 HMDB11172 gamma-tocopherol/beta-tocopherol Cofactors and Vitamins Tocopherol Metabolism 52473 LC/MS Pos Late 100008998 2384 416.36427 genistein sulfate* Xenobiotics Food Component/Plant 62061 LC/MS Neg 100020207 3616 349.00236 gentisate Amino Acid Tyrosine Metabolism 18280 LC/MS Polar 100000447 905 153.01933 490-79-9 3469 3350 C00628 HMDB00152 GlcNAc sulfate conjugate of C21H34O2 steroid** Partially Characterized Molecules Partially Characterized Molecules 63699 LC/MS Neg 100021726 4336.7 299.63862 gluconate Xenobiotics Food Component/Plant 587 LC/MS Polar 338 2922 195.05102 527-07-1 10690 10240 C00257 HMDB00625 glucose Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48152 LC/MS Polar 572 2342 225.06159 50-99-7 5793 71358 C00031 HMDB00122 glucuronate Carbohydrate Aminosugar Metabolism 15443 LC/MS Polar 100000257 3233.3 193.03537 207300-70-7 444791 58552 C00191 HMDB00127 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 piperine metabolite C17H21NO3 (4)* Xenobiotics Food Component/Plant 62291 LC/MS Neg 100020492 3992 462.17696 glucuronide of piperine metabolite C17H21NO3 (5)* Xenobiotics Food Component/Plant 62292 LC/MS Neg 100020493 4039 462.17696 glutamate Amino Acid Glutamate Metabolism 57 LC/MS Pos Early 561 1500 148.06044 56-86-0 611 591 C00025 HMDB00148 glutamine Amino Acid Glutamate Metabolism 53 LC/MS Pos Early 563 1291 147.07642 56-85-9 5961 5746 C00064 HMDB00641 glutamine conjugate of C6H10O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 63657 LC/MS Neg 100020261 2404 241.11938 glutamine conjugate of C6H10O2 (2)* Partially Characterized Molecules Partially Characterized Molecules 63660 LC/MS Neg 100020262 2526 241.11938 glutamine conjugate of C7H12O2* Partially Characterized Molecules Partially Characterized Molecules 63658 LC/MS Neg 100020259 3053 255.13502 glutarate (C5-DC) Lipid Fatty Acid, Dicarboxylate 396 LC/MS Polar 339 2900 131.03498 110-94-1 743 3618533 C00489 HMDB00661 glutarylcarnitine (C5-DC) Amino Acid Lysine Metabolism 44664 LC/MS Pos Early 100001593 2393 276.14417 102636-82-8 71464488 21403175 HMDB13130 glyburide Xenobiotics Drug - Metabolic 63916 LC/MS Pos Late 100020883 1180 494.1511 10238-21-8 3488 3368 D00336,C07022 HMDB15151 glycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1572 LC/MS Polar 1052 2070.4 105.01933 600-19-1 752 732 C00258 HMDB00139 glycerol Lipid Glycerolipid Metabolism 15122 LC/MS Neg 1254 758 91.04007 56-81-5 753 733 C00116 HMDB00131 glycerol 3-phosphate Lipid Glycerolipid Metabolism 43847 LC/MS Pos Early 100000258 580 173.02095 29849-82-9 754 734 C00093 HMDB00126 glycerophosphoethanolamine Lipid Phospholipid Metabolism 37455 LC/MS Pos Early 100001620 659 216.06315 33049-08-0 123874 110410 C01233 HMDB00114 glycerophosphoglycerol Lipid Glycerolipid Metabolism 48857 LC/MS Polar 100001619 2430 245.04317 439964 388990 C03274 glycerophosphoinositol* Lipid Phospholipid Metabolism 47155 LC/MS Polar 100001621 3850 333.05922 16824-65-0 167572 glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Pos Early 100000269 672 258.1101 28319-77-9 71920 571409 C00670 HMDB00086 glycine Amino Acid Glycine, Serine and Threonine Metabolism 58 LC/MS Pos Early 340 1375 76.03931 56-40-6 750 730 C00037 HMDB00123 glycine conjugate of C10H12O2* Partially Characterized Molecules Partially Characterized Molecules 62145 LC/MS Neg 100020253 4005 220.09791 glycine conjugate of C10H14O2 (1)* Partially Characterized Molecules Partially Characterized Molecules 62146 LC/MS Neg 100020254 4335 222.11356 glyco-beta-muricholate** Lipid Primary Bile Acid Metabolism 62066 LC/MS Neg 100020214 4762 464.30176 glycochenodeoxycholate Lipid Primary Bile Acid Metabolism 32346 LC/MS Neg 1628 5236.1 448.30684 16564-43-5 12544 C05466 HMDB00637 glycochenodeoxycholate 3-sulfate Lipid Primary Bile Acid Metabolism 52974 LC/MS Neg 100006641 4820 263.62819 glycochenodeoxycholate glucuronide (1) Lipid Primary Bile Acid Metabolism 52983 LC/MS Neg 100009264 4806 311.66583 glycocholate Lipid Primary Bile Acid Metabolism 18476 LC/MS Neg 342 5163 464.30176 475-31-0;863-57-0 10140 9734 C01921 HMDB00138 glycocholate glucuronide (1) Lipid Primary Bile Acid Metabolism 52977 LC/MS Neg 100009259 4533 640.33385 glycocholenate sulfate* Lipid Secondary Bile Acid Metabolism 32599 LC/MS Neg 100001989 4750 254.62291 glycodeoxycholate Lipid Secondary Bile Acid Metabolism 18477 LC/MS Neg 100000436 5281 448.30684 360-65-6 3035026 C05464 HMDB00631 glycodeoxycholate 3-sulfate Lipid Secondary Bile Acid Metabolism 52975 LC/MS Neg 100006642 4875 263.62819 glycohyocholate Lipid Secondary Bile Acid Metabolism 42574 LC/MS Neg 100004083 5020 464.30176 glycolithocholate Lipid Secondary Bile Acid Metabolism 31912 LC/MS Neg 100001064 5357.1 432.31193 474-74-8 115245 103116 C15557 HMDB00698 glycolithocholate sulfate* Lipid Secondary Bile Acid Metabolism 32620 LC/MS Neg 100001657 5011 255.63073 15324-64-8 72222 65188 C11301 HMDB02639 glycoursodeoxycholate Lipid Secondary Bile Acid Metabolism 39379 LC/MS Neg 100002911 5033 448.30684 64480-66-6 12310288 19973534 HMDB00708 glycoursodeoxycholic acid sulfate (1) Lipid Secondary Bile Acid Metabolism 63731 LC/MS Neg 100020819 4309 263.62819 guaiacol sulfate Xenobiotics Benzoate Metabolism 46111 LC/MS Neg 100004208 2344 203.00196 22473 21078 HMDB60013 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Pos Early 344 1937 118.06111 352-97-6 763 743 C00581 HMDB00128 guanidinosuccinate Amino Acid Guanidino and Acetamido Metabolism 32446 LC/MS Polar 100001212 3550 174.05203 6133-30-8 97856 88329 C03139 HMDB03157 gulonate* Cofactors and Vitamins Ascorbate and Aldarate Metabolism 46957 LC/MS Polar 100001586 2750 195.05102 20246-53-1 152304 7969943 C00257 HMDB03290 heme Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos Late 100001386 1124 616.1762 14875-96-8 26945 C00032 HMDB03178 heptanoate (7:0) Lipid Medium Chain Fatty Acid 1644 LC/MS Neg 925 3670 129.0921 111-14-8 8094 7803 C17714 HMDB00666 heptenedioate (C7:1-DC)* Lipid Fatty Acid, Dicarboxylate 61866 LC/MS Polar 100019981 2816 157.05063 hexadecadienoate (16:2n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 57652 LC/MS Neg 100009394 5398 251.20165 28290-73-5 13628094 HMDB00477 hexadecanedioate (C16-DC) Lipid Fatty Acid, Dicarboxylate 35678 LC/MS Neg 100001614 4615 285.20713 505-54-4 10459 10027 C19615 HMDB00672 hexadecasphingosine (d16:1)* Lipid Sphingosines 57428 LC/MS Pos Late 100015723 1289 272.25841 28533427 hexadecenedioate (C16:1-DC)* Lipid Fatty Acid, Dicarboxylate 61862 LC/MS Neg 100019975 4380 283.19148 hexanoylcarnitine (C6) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 32328 LC/MS Pos Early 100000781 3358 260.18564 6920-35-0 6426853 4932273 HMDB00705 hexanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 54907 LC/MS Neg 100001733 2780 243.13503 hippurate Xenobiotics Benzoate Metabolism 15753 LC/MS Neg 100000014 2106.9 178.05096 495-69-2 464 451 C01586 HMDB00714 histidine Amino Acid Histidine Metabolism 59 LC/MS Neg 355 755.9 154.0622 5934-29-2 6274 752 C00135 HMDB00177 histidine betaine (hercynine)* Xenobiotics Food Component/Plant 62278 LC/MS Pos Early 100004059 2094 198.12371 534-30-5 3083620 2340795 homoarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 22137 LC/MS Pos Early 100000961 2882 189.13461 156-86-5 9085 8732 C01924 HMDB00670 homocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 22138 LC/MS Pos Early 100000963 1908 190.11862 1190-49-4 65072 58582 C02427 HMDB00679 homostachydrine* Xenobiotics Food Component/Plant 33009 LC/MS Pos Early 100001550 1750 158.11756 1195-94-4 441447 390180 C08283 HMDB33433 hydantoin-5-propionate Amino Acid Histidine Metabolism 40473 LC/MS Polar 100002514 2080 171.04113 5624-26-0 782 761 C05565 HMDB01212 hydrochlorothiazide Xenobiotics Drug - Cardiovascular 39625 LC/MS Neg 100002734 2046 295.95719 58-93-5 3639 3513 C07041 HMDB01928 hydroquinone sulfate Xenobiotics Drug - Topical Agents 35322 LC/MS Neg 100001604 1395 188.98631 123-31-9 161220 141624 C00530 HMDB02434 hydroxy-CMPF* Lipid Fatty Acid, Dicarboxylate 62277 LC/MS Neg 100019794 1516 255.08741 hydroxy-N6,N6,N6-trimethyllysine* Amino Acid Lysine Metabolism 62959 LC/MS Pos Early 100021123 2759 205.15468 hydroxyasparagine** Amino Acid Alanine and Aspartate Metabolism 62060 LC/MS Pos Early 100020205 1149 149.05568 97663 88149 C03124 HMDB32332 hydroxybupropion Xenobiotics Drug - Psychoactive 32882 LC/MS Neg 100001309 5084 254.09533 446 21403106 HMDB12235 hydroxypioglitazone (M-IV) Xenobiotics Drug - Metabolic 43580 LC/MS Pos Late 100004177 665 373.12166 146062-44-4 hyocholate Lipid Secondary Bile Acid Metabolism 34093 LC/MS Neg 100001279 5046 407.28029 547-75-1 92805 21403098 C17649 HMDB00760 hypotaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Pos Early 358 724 110.02703 300-84-5 107812 96959 C00519 HMDB00965 hypoxanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3127 LC/MS Neg 171 1291.2 135.03123 68-94-0 790 768 C00262 HMDB00157 ibuprofen Xenobiotics Drug - Analgesics, Anesthetics 17799 LC/MS Neg 1487 4925 205.1234 15687-27-1 3672 3544 D00126 HMDB01925 ibuprofen acyl glucuronide Xenobiotics Drug - Analgesics, Anesthetics 38366 LC/MS Neg 100002406 4976 381.15549 115075-59-7 163959 143793 imidazole lactate Amino Acid Histidine Metabolism 15716 LC/MS Pos Early 100000263 2040 157.06077 14403-45-3 793 389128 C05568 HMDB02320 imidazole propionate Amino Acid Histidine Metabolism 40730 LC/MS Pos Early 100003434 2263 141.06586 1074-59-5 70630 63798 HMDB02271 iminodiacetate (IDA) Xenobiotics Chemical 21025 LC/MS Pos Early 100000900 830 134.04479 142-73-4 8897 8557 C19911 HMDB11753 indoleacetate Amino Acid Tryptophan Metabolism 27513 LC/MS Neg 100001034 2200 174.05605 6505-45-9 802 780 C00954 HMDB00197 indoleacetylglutamine Amino Acid Tryptophan Metabolism 42087 LC/MS Neg 100001731 2535 302.11463 25200879 HMDB13240 indolelactate Amino Acid Tryptophan Metabolism 18349 LC/MS Neg 100000463 2286 204.06661 832-97-3 92904 83867 C02043 HMDB00671 indolepropionate Amino Acid Tryptophan Metabolism 32405 LC/MS Pos Early 100001083 3205 190.08626 830-96-6 3744 3613 HMDB02302 indolin-2-one Xenobiotics Food Component/Plant 43374 LC/MS Pos Early 100004318 2575 134.06004 59-48-3 321710 284794 C12312 inosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1123 LC/MS Neg 361 1602.1 267.07349 58-63-9 6021 21241953 C00294 HMDB00195 inosine 5'-monophosphate (IMP) Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 2133 LC/MS Pos Early 362 650 349.05438 4691-65-0 8582 5482599 C00130 HMDB00175 isobutyrylcarnitine (C4) Amino Acid Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos Early 100001055 2810 232.15434 25518-49-4 168379 HMDB00736 isobutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35437 LC/MS Neg 100001590 1420 144.06661 15926-18-8 10855600 9030891 HMDB00730 isocitrate Energy TCA Cycle 12110 LC/MS Pos Early 1206 773 210.0608 20226-99-7 1198 1161 C00311 HMDB00193 isocitric lactone Energy TCA Cycle 54724 LC/MS Polar 100009239 2970 173.00916 4702-32-3 98259 88729 isoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos Early 376 2800 132.10191 73-32-5 6306 769 C00407 HMDB00172 isoursodeoxycholate Lipid Secondary Bile Acid Metabolism 57577 LC/MS Neg 100002488 4809 391.28538 78919-26-3 127601 113205 C17662 HMDB00686 isovalerate (i5:0) Amino Acid Leucine, Isoleucine and Valine Metabolism 44656 LC/MS Neg 100000708 1564 101.0608 503-74-2 10430 10001 C08262 HMDB00718 isovalerylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos Early 100001393 3085 246.16999 31023-24-2 6426851 4932271 HMDB00688 isovalerylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35107 LC/MS Neg 100001452 1950 158.08226 16284-60-9 546304 475516 HMDB00678 ketopioglitazone Xenobiotics Drug - Metabolic 43579 LC/MS Neg 100004176 4165 369.09145 146062-45-5 kynurenate Amino Acid Tryptophan Metabolism 1417 LC/MS Neg 98 2224 188.03531 492-27-3 3845 3712 C01717 HMDB00715 kynurenine Amino Acid Tryptophan Metabolism 15140 LC/MS Pos Early 100000265 2739 209.09207 2922-83-0 161166 141580 C00328 HMDB00684 lactate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Neg 482 681.6 89.02442 79-33-4 612 592 C00186 HMDB00190 lamotrigine Xenobiotics Drug - Neurological 54762 LC/MS Pos Early 100009390 3379 256.01513 3878 3741 D00354 HMDB14695,HMDB05043 lanthionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42002 LC/MS Pos Early 100003892 1730 209.05906 8/2/3183 98504 88959 laurate (12:0) Lipid Medium Chain Fatty Acid 1645 LC/MS Neg 181 5300 199.17035 143-07-7 3893 3756 C02679 HMDB00638 laurylcarnitine (C12) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 34534 LC/MS Pos Late 100001392 1235 344.27954 25518-54-1 10427569 8602997 HMDB02250 leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos Early 397 2864 132.10191 61-90-5 leucylalanine Peptide Dipeptide 40010 LC/MS Pos Early 100003179 2801 203.13902 7298-84-2 259321 227625 HMDB28922 leucylglycine Peptide Dipeptide 40045 LC/MS Pos Early 100003185 2778 189.12337 686-50-0 79070 71402 HMDB28929 leucylphenylalanine/isoleucylphenylalanine Peptide Dipeptide 52415 LC/MS Neg 100008951 4073 277.15576 levulinate (4-oxovalerate) Xenobiotics Food Component/Plant 22177 LC/MS Neg 100000765 934.6 115.04006 123-76-2 11579 11091 HMDB00720 lignoceroylcarnitine (C24)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57515 LC/MS Pos Late 100015834 1603 512.46733 linoleate (18:2n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1105 LC/MS Neg 180 5535 279.23295 60-33-3 5280450 4444105 C01595 HMDB00673 linolenate [alpha or gamma; (18:3n3 or 6)] Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 34035 LC/MS Neg 100001337 5450 277.2173 5280934 4444437 C06426 HMDB03073 linolenoylcarnitine (C18:3)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57511 LC/MS Pos Late 100015831 1310 422.32649 linoleoyl ethanolamide Lipid Endocannabinoid 52608 LC/MS Neg 100006726 6150 322.27515 68171-52-8 5283446 4446566 HMDB12252 linoleoylcarnitine (C18:2)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 46223 LC/MS Pos Late 100003151 1430 424.34214 36816-10-1 6450015 4952667 HMDB06469 linoleoylcholine* Lipid Fatty Acid Metabolism (Acyl Choline) 57463 LC/MS Pos Late 100015760 1388 366.33666 lithocholate sulfate (1) Lipid Secondary Bile Acid Metabolism 62526 LC/MS Neg 100020823 4811 227.12 lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos Early 407 2850 147.11281 56-87-1 5962 5747 C00047 HMDB00182 malate Energy TCA Cycle 1303 LC/MS Neg 409 615.6 133.01425 6915-15-7 525 510 C00149 HMDB00156 maleate Lipid Fatty Acid, Dicarboxylate 20676 LC/MS Polar 100000707 2640 115.00368 110-16-7 444266 392248 C01384 HMDB00176 malonate Lipid Fatty Acid Synthesis 15872 LC/MS Polar 818 3447 103.00368 141-82-2;26522-22-85-0 867 844 C00383 HMDB00691 maltose Carbohydrate Glycogen Metabolism 15586 LC/MS Polar 913 3329.4 387.11442 6363-53-7 10991489 388469 C00208 HMDB00163 maltotetraose Carbohydrate Glycogen Metabolism 15910 LC/MS Neg 100000275 910 665.21458 34612-38-9 446495 393830 C02052 HMDB01296 maltotriose Carbohydrate Glycogen Metabolism 44688 LC/MS Neg 100000276 812 503.16175 1109-28-0 439586 388669 C01835 HMDB01262 mannitol/sorbitol Carbohydrate Fructose, Mannose and Galactose Metabolism 46142 LC/MS Polar 100001740 2320 181.07176 5780 440 C00794 HMDB00247 mannonate* Xenobiotics Food Component/Plant 62864 LC/MS Polar 100003695 2736 195.05102 642-99-9 3246006 2496757 mannose Carbohydrate Fructose, Mannose and Galactose Metabolism 48153 LC/MS Polar 803 2200 225.06159 3458-28-4 18950 141983 C00159 HMDB00169 maprotiline Xenobiotics Drug - Psychoactive 40444 LC/MS Pos Late 100003439 1010 278.19033 10347-81-6 4011 3871 C07107 HMDB15069 margarate (17:0) Lipid Long Chain Saturated Fatty Acid 1121 LC/MS Neg 891 5731 269.2486 506-12-7 10465 10033 HMDB02259 margaroylcarnitine (C17)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57512 LC/MS Pos Late 100004054 1424 414.35779 106182-29-0 35015987 HMDB06210 metabolonic lactone sulfate Partially Characterized Molecules Partially Characterized Molecules 63153 LC/MS Neg 100021331 4802 427.21598 metformin Xenobiotics Drug - Metabolic 38306 LC/MS Pos Early 100002405 2817 130.10873 1115-70-4 4091 3949 C07151 HMDB01921 methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos Early 415 2526 150.05833 63-68-3 6137 5907 C00073 HMDB00696 methionine sulfone Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Pos Early 100004635 1250 182.04816 820-10-0 69961 63154 methionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos Early 100000039 1272 166.05325 3226-65-1 158980 139840 C02989 HMDB02005 methyl glucopyranoside (alpha + beta) Xenobiotics Food Component/Plant 46144 LC/MS Neg 100005864 1070 193.0718 methyl indole-3-acetate Xenobiotics Food Component/Plant 1584 LC/MS Pos Early 1104 3380 190.08626 1912-33-0 74706 67279 HMDB29738 methyl-4-hydroxybenzoate sulfate Xenobiotics Benzoate Metabolism 48429 LC/MS Neg 100006116 2873 230.99688 methylmalonate (MMA) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1496 LC/MS Polar 418 3078.4 117.01933 516-05-2 487 473 C02170 HMDB00202 methylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 15745 LC/MS Polar 2051 2800 131.03498 498-21-5 10349 9922 HMDB01844 metoprolol Xenobiotics Drug - Cardiovascular 18037 LC/MS Pos Early 2028 3312 268.19072 56392-17-7 4171 4027 D02358 HMDB01932 metoprolol acid metabolite* Xenobiotics Drug - Cardiovascular 34109 LC/MS Pos Early 100001385 2950 268.15434 56392-14-4 62936 56653 mycophenolic acid glucuronide Xenobiotics Drug - Antiinflammatory, Immunosuppressant 54792 LC/MS Neg 100009254 2627 495.1508 6442661 4946725 myo-inositol Lipid Inositol Metabolism 1124 LC/MS Polar 363 3506.3 225.06159 87-89-8 892 10239179 C00137 HMDB00211 myristate (14:0) Lipid Long Chain Saturated Fatty Acid 1365 LC/MS Neg 519 5440 227.20165 544-63-8 11005 10539 C06424 HMDB00806 myristoleate (14:1n5) Lipid Long Chain Monounsaturated Fatty Acid 32418 LC/MS Neg 100001198 5346.9 225.186 544-64-9 5281119 4444564 C08322 HMDB02000 myristoleoylcarnitine (C14:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 48182 LC/MS Pos Late 100006051 1316 370.29471 889848-55-9 90659872 34999520 myristoylcarnitine (C14) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 33952 LC/MS Pos Late 100001270 1350 372.31084 18822-89-4 6426854 4932274 HMDB05066 N,N,N-trimethyl-5-aminovalerate Amino Acid Lysine Metabolism 57687 LC/MS Pos Early 100015962 2186 160.13321 34236878 N,N,N-trimethyl-alanylproline betaine (TMAP) Amino Acid Urea cycle; Arginine and Proline Metabolism 62947 LC/MS Pos Early 100020217 2470 229.15467 N,N-dimethylalanine Amino Acid Alanine and Aspartate Metabolism 63151 LC/MS Pos Early 100020371 1370 118.08626 2812-31-9 5488191 4589713 N-(2-furoyl)glycine Xenobiotics Food Component/Plant 31536 LC/MS Neg 100001086 1525 168.03023 5657-19-2;5657-19-2 21863 20549 HMDB00439 N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Pos Early 100004299 2100 212.1028 53859791 N-acetyl-2-aminooctanoate* Lipid Fatty Acid, Amino 62059 LC/MS Neg 100020204 3943 200.12921 95555 86248 HMDB59745 N-acetyl-beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 37432 LC/MS Neg 100002102 773 130.05096 3025-95-4 76406 68881 C01073 N-acetyl-isoputreanine Amino Acid Polyamine Metabolism 62309 LC/MS Pos Early 100020487 2305 203.13902 131802901 N-acetylalanine Amino Acid Alanine and Aspartate Metabolism 1585 LC/MS Polar 1110 1564.8 130.05096 97-69-8 88064 79449 C02847 HMDB00766 N-acetylalliin Xenobiotics Food Component/Plant 45404 LC/MS Pos Early 100005367 1348 220.06381 N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos Early 100001266 2245 217.12952 155-84-0 67427 60752 C02562 HMDB04620 N-acetylasparagine Amino Acid Alanine and Aspartate Metabolism 33942 LC/MS Polar 100001257 2250 173.05678 4033-40-3 99715 90090 HMDB06028 N-acetylaspartate (NAA) Amino Acid Alanine and Aspartate Metabolism 22185 LC/MS Polar 100000787 3143 174.04079 997-55-7;997-55-7 65065 58576 C01042 HMDB00812 N-acetylcarnosine Amino Acid Histidine Metabolism 43488 LC/MS Neg 100004046 1235 267.10988 56353-15-2 9903482 8079136 HMDB12881 N-acetylcitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 48434 LC/MS Neg 100001577 940 216.09898 33965-42-3 656979 571213 C15532 HMDB00856 N-acetylglucosamine/N-acetylgalactosamine Carbohydrate Aminosugar Metabolism 46539 LC/MS Pos Early 100006435 715 222.0972 24139 HMDB00215 N-acetylglucosaminylasparagine Carbohydrate Aminosugar Metabolism 48149 LC/MS Pos Early 1215 1212 336.14015 2776-93-4 123826 21403014 C04540 HMDB00489 N-acetylglutamate Amino Acid Glutamate Metabolism 15720 LC/MS Polar 100000282 3106 188.05644 8/3/5817 70914 1266066 C00624 HMDB01138 N-acetylglutamine Amino Acid Glutamate Metabolism 33943 LC/MS Polar 100001253 2140 187.07243 2490-97-3 182230 158492 C02716 HMDB06029 N-acetylglycine Amino Acid Glycine, Serine and Threonine Metabolism 27710 LC/MS Pos Early 100001006 826 118.04987 543-24-8 10972 10507 HMDB00532 N-acetylhistidine Amino Acid Histidine Metabolism 33946 LC/MS Neg 100001293 900 196.07276 39145-52-3 75619 68142 C02997 HMDB32055 N-acetylleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1587 LC/MS Neg 1082 2400 172.09791 1188-21-2 70912 64075 C02710 HMDB11756 N-acetylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1589 LC/MS Neg 1083 1787 190.05434 65-82-7 448580 395338 C02712 HMDB11745 N-acetylneuraminate Carbohydrate Aminosugar Metabolism 32377 LC/MS Pos Early 1162 660 310.11326 131-48-6 439197 10292217 C00270 HMDB00230 N-acetylphenylalanine Amino Acid Phenylalanine Metabolism 33950 LC/MS Neg 100001256 2597 206.08226 2018-61-3 74839 67404 C03519 HMDB00512 N-acetylputrescine Amino Acid Polyamine Metabolism 37496 LC/MS Pos Early 192 2230 131.11789 18233-70-0 122356 109095 C02714 HMDB02064 N-acetylserine Amino Acid Glycine, Serine and Threonine Metabolism 37076 LC/MS Polar 100001851 2000 146.04588 97-14-3 65249 58744 HMDB02931 N-acetyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 48187 LC/MS Neg 100005466 800 166.01795 159864 140553 N-acetyltheanine Xenobiotics Food Component/Plant 62711 LC/MS Neg 100020514 1496 215.10373 N-acetylthreonine Amino Acid Glycine, Serine and Threonine Metabolism 33939 LC/MS Neg 100001274 821.6 160.06153 17093-74-2 152204 3841173 HMDB62557 N-acetyltryptophan Amino Acid Tryptophan Metabolism 33959 LC/MS Neg 100001254 2630 245.09316 1218-34-4 700653 610602 C03137 HMDB13713 N-acetyltyrosine Amino Acid Tyrosine Metabolism 32390 LC/MS Neg 100001104 1680 222.07718 537-55-3 68310 61606 HMDB00866 N-acetylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 1591 LC/MS Neg 1084 1704 158.08226 96-81-1 66789 60154 HMDB11757 N-carbamoylaspartate Nucleotide Pyrimidine Metabolism, Orotate containing 1594 LC/MS Polar 1108 3800 175.03604 923-37-5 93072 4573859 C00438 HMDB00828 N-delta-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43249 LC/MS Neg 100004523 858 173.09316 9920500 8096135 N-desmethyl tramadol Xenobiotics Drug - Analgesics, Anesthetics 52355 LC/MS Pos Early 100006384 3360 250.18016 147762-57-0 10354700 8530152 HMDB61007 N-formylanthranilic acid Amino Acid Tryptophan Metabolism 43549 LC/MS Neg 100004561 2150 164.03531 3342-77-6 101399 91624 C05653 HMDB04089 N-formylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2829 LC/MS Neg 194 1543.8 176.03869 4289-98-9 439750 388809 C03145 HMDB01015 N-methylhydroxyproline** Amino Acid Urea cycle; Arginine and Proline Metabolism 62068 LC/MS Pos Early 100020215 1145 146.08118 N-methylpipecolate Xenobiotics Bacterial/Fungal 47101 LC/MS Pos Early 100005383 1932 144.10191 41447-17-0 11286529 9461516 N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos Early 100001956 1335 130.08626 475-11-6 557 541 N-methyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42989 LC/MS Polar 100004056 1650 138.02303 107-68-6 7882 7594 N-oleoylserine Lipid Endocannabinoid 57664 LC/MS Neg 100015641 5600 368.28063 21466990 N-oleoyltaurine Lipid Endocannabinoid 39732 LC/MS Neg 100003119 5610 388.2527 52514-04-2 6437033 4941625 N-oxalyl glycine (NOG) Xenobiotics Food Component/Plant 57776 LC/MS Polar 100015923 3292 146.00949 3080614 2338366 N-palmitoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 42092 LC/MS Neg 100003686 5580 312.25441 2441-41-0 151008 133100 HMDB13034 N-palmitoylserine Lipid Endocannabinoid 57659 LC/MS Neg 100015640 5557 342.26498 58725-46-5;474943-14-1 6453686 4956046 N-palmitoyltaurine Lipid Endocannabinoid 39835 LC/MS Neg 100003239 5560 362.23705 83982-06-3 14435932 N-stearoyltaurine Lipid Endocannabinoid 39730 LC/MS Neg 100003240 5782 390.26835 63155-80-6 168274 147194 N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 40469 LC/MS Neg 100001468 1668 151.0513 701-44-0 69698 62899 C05842 HMDB04193 N1-Methyl-4-pyridone-3-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 57584 LC/MS Pos Early 100001469 1260 153.06586 769-49-3 440810 389671 C05843 HMDB04194 N1-methyladenosine Nucleotide Purine Metabolism, Adenine containing 15650 LC/MS Pos Early 1242 2120 282.11969 15763-06-1 27476 4573813 C02494 HMDB03331 N1-methylinosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 48351 LC/MS Pos Early 100001409 1430 283.1037 20245-33-4 65095 513976 HMDB02721 N2,N2-dimethylguanosine Nucleotide Purine Metabolism, Guanine containing 35137 LC/MS Pos Early 100001412 2210 312.13025 2140-67-2 92919 83878 HMDB04824 N2,N5-diacetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43591 LC/MS Neg 100004575 1367 215.10373 39825-23-5 65977 8573834 N2-acetyl,N6,N6-dimethyllysine Amino Acid Lysine Metabolism 63254 LC/MS Pos Early 100020545 2172 217.15467 N2-acetyl,N6-methyllysine Amino Acid Lysine Metabolism 62954 LC/MS Pos Early 100020546 2168 203.13902 N2-acetyllysine Amino Acid Lysine Metabolism 36751 LC/MS Polar 100001721 3372.6 187.10881 1946-82-3 92907 83869 C12989 HMDB00446 N4-acetylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35130 LC/MS Pos Early 100001413 1580 286.10337 3768-18-1 107461 96702 HMDB05923 N6,N6,N6-trimethyllysine Amino Acid Lysine Metabolism 1498 LC/MS Pos Early 189 2825 189.15976 23284-33-5 440120 140379 C03793 HMDB01325 N6,N6-dimethyllysine Amino Acid Lysine Metabolism 62862 LC/MS Pos Early 100020417 2831 175.14411 2259-86-1 193344 167778 C05545 HMDB13287 N6-acetyllysine Amino Acid Lysine Metabolism 36752 LC/MS Neg 100001734 1059 187.10881 692-04-6 92832 83801 C02727 HMDB00206 N6-carbamoylthreonyladenosine Nucleotide Purine Metabolism, Adenine containing 35157 LC/MS Neg 100001415 2164 411.12698 24719-82-2 161466 141829 HMDB41623 N6-methyllysine Amino Acid Lysine Metabolism 62860 LC/MS Pos Early 100003415 2831 161.12846 1188-07-4 164795 144469 C02728 HMDB02038 N6-succinyladenosine Nucleotide Purine Metabolism, Adenine containing 48130 LC/MS Neg 100001664 940 382.10043 4542-23-8 165243 HMDB00912 naproxen Xenobiotics Drug - Analgesics, Anesthetics 12122 LC/MS Neg 1384 4155 229.08702 22204-53-1 156391 137720 C01517 HMDB01923 nervonoylcarnitine (C24:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57531 LC/MS Pos Late 100015846 1602 510.45168 nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos Early 432 1942 123.05529 98-92-0 936 911 C00153 HMDB01406 nisinate (24:6n3) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 57810 LC/MS Neg 100015785 5657 355.26425 68378-49-4 11792612 9967286 HMDB02007 nonadecanoate (19:0) Lipid Long Chain Saturated Fatty Acid 1356 LC/MS Neg 892 6068 297.2799 646-30-0 12591 12071 C16535 HMDB00772 nonanoylcarnitine (C9) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 61775 LC/MS Pos Late 100006620 1003 302.23259 28533402 HMDB13288 norfluoxetine Xenobiotics Drug - Psychoactive 37252 LC/MS Pos Late 100003769 1008 296.12568 83891-03-6 4541 4382 HMDB60551 O-acetylhomoserine Amino Acid Glycine, Serine and Threonine Metabolism 31539 LC/MS Polar 100001129 1850 160.06153 7540-67-2 439389 388506 C01077 o-cresol sulfate Xenobiotics Benzoate Metabolism 36845 LC/MS Neg 100001806 2796 187.00705 11615528 9790277 O-desmethyltramadol glucuronide Xenobiotics Drug - Analgesics, Anesthetics 52357 LC/MS Pos Early 100006383 2741 426.21225 383891-39-2 28467711 O-desmethylvenlafaxine Xenobiotics Drug - Psychoactive 43334 LC/MS Pos Early 100004173 3253 264.19581 300827-87-6 125017 111300 D07793 HMDB60532 O-sulfo-L-tyrosine Xenobiotics Chemical 45413 LC/MS Neg 100005384 990 260.02343 514186 448617 octadecadienedioate (C18:2-DC)* Lipid Fatty Acid, Dicarboxylate 61860 LC/MS Neg 100019982 4676 309.20714 octadecanedioate (C18-DC) Lipid Fatty Acid, Dicarboxylate 36754 LC/MS Neg 100001615 5043 313.23843 871-70-5 70095 63283 HMDB00782 octadecanedioylcarnitine (C18-DC)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 61867 LC/MS Pos Late 100005998 1227 458.34762 123233-50-1 28639203 octadecenedioate (C18:1-DC)* Lipid Fatty Acid, Dicarboxylate 61861 LC/MS Neg 100019978 4875 311.22279 octadecenedioylcarnitine (C18:1-DC)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 61865 LC/MS Pos Late 100005996 1180 456.33197 251981-06-3 28639201 octanoylcarnitine (C8) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 33936 LC/MS Pos Late 100001247 950 288.21694 3671-77-0 123701 110274 C02838 HMDB00791 oleamide Lipid Fatty Acid, Amide 32458 LC/MS Neg 1504 6581 280.26458 301-02-0 5283387 4446508 C19670 HMDB02117 oleate/vaccenate (18:1) Lipid Long Chain Monounsaturated Fatty Acid 52285 LC/MS Neg 100008930 5655 281.2486 oleoyl ethanolamide Lipid Endocannabinoid 38102 LC/MS Neg 1137 6450 324.2908 11-58-0;111-58-0 5283454 4446574 HMDB02088 oleoylcarnitine (C18:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 35160 LC/MS Pos Late 100001501 1423 426.35779 38677-66-6 6441392 21403150 HMDB05065 oleoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53260 LC/MS Pos Late 100009331 1449 368.35231 omeprazole Xenobiotics Drug - Gastrointestinal 38600 LC/MS Neg 100002725 4673 344.10743 73590-58-6 4594 4433 C07324 HMDB01913 ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos Early 444 2800 133.09716 3184-13-2 6262 6026 C00077 HMDB03374 orotate Nucleotide Pyrimidine Metabolism, Orotate containing 1505 LC/MS Polar 445 1638.1 155.00983 50887-69-9 967 942 C00295 HMDB00226 orotidine Nucleotide Pyrimidine Metabolism, Orotate containing 35172 LC/MS Polar 100001416 2250 287.05209 314-50-1 92751 83729 HMDB00788 oxalate (ethanedioate) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 20694 LC/MS Neg 100000841 603 88.98803 144-62-7 971 946 C00209 HMDB02329 oxypurinol Xenobiotics Drug - Metabolic 41726 LC/MS Polar 100002489 1656 151.02615 2465-59-0 4644 4483 D02365 HMDB00786 p-cresol glucuronide* Amino Acid Tyrosine Metabolism 48841 LC/MS Neg 100006191 2420 283.08232 17680-99-8 154035 135751 HMDB11686 p-cresol sulfate Xenobiotics Benzoate Metabolism 36103 LC/MS Neg 100001315 2890 187.00705 3233-57-7 4615423 3806480 HMDB11635 palmitate (16:0) Lipid Long Chain Saturated Fatty Acid 1336 LC/MS Neg 424 5618 255.23295 57-10-3 985 960 C00249 HMDB00220 palmitoleate (16:1n7) Lipid Long Chain Monounsaturated Fatty Acid 33447 LC/MS Neg 452 5475 253.2173 373-49-9 445638 393216 C08362 HMDB03229 palmitoleoylcarnitine (C16:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 53223 LC/MS Pos Late 100009406 1357 398.32649 71464547 28639183 palmitoloelycholine Lipid Fatty Acid Metabolism (Acyl Choline) 53257 LC/MS Pos Late 100009334 1385 340.32101 palmitoyl ethanolamide Lipid Endocannabinoid 38165 LC/MS Neg 1489 6300 298.27515 544-31-0 4671 4509 C16512 HMDB02100 palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) Lipid Ceramide PEs 62984 LC/MS Pos Late 100021162 2207 661.5279 palmitoylcarnitine (C16) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 44681 LC/MS Pos Late 100000776 1425 400.34214 6865-14-1 461 448 C02990 HMDB00222 palmitoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 52944 LC/MS Pos Late 100009233 1482 342.33666 151731 133731 pantoate Cofactors and Vitamins Pantothenate and CoA Metabolism 63061 LC/MS Neg 100002613 1143 147.06628 470-29-1 439251 388387 C00522 pantoprazole Xenobiotics Drug - Gastrointestinal 38609 LC/MS Neg 100002808 4398 382.06785 102625-70-7 4679 4517 C11806 HMDB05017 pantothenate Cofactors and Vitamins Pantothenate and CoA Metabolism 1508 LC/MS Neg 1024 1498.7 218.10339 137-08-6 6613 6361 C00864 HMDB00210 paraxanthine Xenobiotics Xanthine Metabolism 18254 LC/MS Neg 100000453 2279 179.05745 611-59-6 4687 4525 C13747 HMDB01860 paroxetine Xenobiotics Drug - Psychoactive 40461 LC/MS Pos Late 100003442 963 330.15 110429-49-8 43815 39888 D02362,C07415 pelargonate (9:0) Lipid Medium Chain Fatty Acid 12035 LC/MS Neg 437 4798 157.1234 112-05-0 8158 4574394 C01601 HMDB00847 pentadecanoate (15:0) Lipid Long Chain Saturated Fatty Acid 1361 LC/MS Neg 980 5521 241.2173 1002-84-2;10002-84-2 13849 13249 C16537 HMDB00826 pentose acid* Partially Characterized Molecules Partially Characterized Molecules 63264 LC/MS Polar 100021467 2180 165.04046 perfluorooctanesulfonate (PFOS) Xenobiotics Chemical 57564 LC/MS Polar 100010955 662 498.93021 1763-23-1 74483 67068 C18142 HMDB59586 perfluorooctanoate (PFOA) Xenobiotics Chemical 62071 LC/MS Polar 100020208 685 412.96642 9554 9180 HMDB59587 phenol sulfate Amino Acid Tyrosine Metabolism 32553 LC/MS Neg 100001510 2156 172.9914 937-34-8 74426 67018 C02180 HMDB60015 phenylacetylglutamate Peptide Acetylated Peptides 52925 LC/MS Neg 100009045 1570 264.08774 11579826 9754592 HMDB59772 phenylacetylglutamine Peptide Acetylated Peptides 35126 LC/MS Pos Early 100001417 2145 265.11829 28047-15-6 92258 270643 C04148 HMDB06344 phenylalanine Amino Acid Phenylalanine Metabolism 64 LC/MS Pos Early 460 2878 166.08626 63-91-2 6140 5910 C00079 HMDB00159 phenylalanylphenylalanine Peptide Dipeptide 38150 LC/MS Neg 100002293 4292 311.14011 2577-40-4 6993090 5361193 phenylalanyltryptophan Peptide Dipeptide 41377 LC/MS Neg 100003594 4165 350.15101 24587-41-5 134906 10443429 HMDB29006 phenyllactate (PLA) Amino Acid Phenylalanine Metabolism 22130 LC/MS Neg 100000774 2208 165.05571 828-01-3 3848 3715 C05607 HMDB00779 phenylpyruvate Amino Acid Phenylalanine Metabolism 566 LC/MS Neg 241 2515 163.04007 156-06-9 997 972 C00166 HMDB00205 phosphate Energy Oxidative Phosphorylation 42109 LC/MS Pos Early 461 576 98.98418 7664-38-2 1061 1032 C00009 HMDB01429 phosphoethanolamine Lipid Phospholipid Metabolism 1600 LC/MS Pos Early 1026 700 142.02638 1071-23-4 1015 990 C00346 HMDB00224 phytanate Xenobiotics Food Component/Plant 598 LC/MS Neg 466 5908 311.29555 14721-66-5 26840 10140204 C01607 HMDB00801 picolinate Amino Acid Tryptophan Metabolism 1512 LC/MS Pos Early 1022 910 124.03931 98-98-6 1018 993 C10164 HMDB02243 picolinoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 63057 LC/MS Neg 100021198 1867 179.04621 5616-29-5 11788622 9963296 HMDB59766 pimelate (C7-DC) Lipid Fatty Acid, Dicarboxylate 15704 LC/MS Polar 100000101 2745 159.06628 111-16-0 385 376 C02656 HMDB00857 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 53224 LC/MS Pos Early 100009407 2773 304.17547 pioglitazone Xenobiotics Drug - Metabolic 33139 LC/MS Pos Early 100001317 3240 357.12674 112529-15-4 4829 4663 C07675 HMDB15264 pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.08626 4043-87-2 849 826 C00408 HMDB00070 piperine Xenobiotics Food Component/Plant 33935 LC/MS Pos Late 100001267 1168 286.14377 94-62-2 638024 553590 C03882 HMDB29377 pregnanediol-3-glucuronide Lipid Progestin Steroids 40708 LC/MS Neg 100003470 5145 495.29634 1852-49-9 123796 110346 HMDB10318 pregnanolone/allopregnanolone sulfate Lipid Progestin Steroids 48394 LC/MS Neg 100006173 5160 397.20541 pregnenediol disulfate (C21H34O8S2)* Lipid Pregnenolone Steroids 32562 LC/MS Neg 100001993 3868 238.07747 pregnenediol sulfate (C21H34O5S)* Lipid Pregnenolone Steroids 32619 LC/MS Neg 100002067 5000 397.20541 1247-64-9 13465233 pregnenetriol disulfate* Lipid Pregnenolone Steroids 62921 LC/MS Neg 100021104 3504 246.07493 pregnenetriol sulfate* Lipid Pregnenolone Steroids 62922 LC/MS Neg 100021103 4749 413.20033 pregnenolone sulfate Lipid Pregnenolone Steroids 38170 LC/MS Neg 100002129 5100 395.18976 1247-64-9 105074 94802 HMDB00774 pristanate Lipid Fatty Acid, Branched 38271 LC/MS Neg 477 5773 297.2799 1189-37-3 123929 110458 HMDB00795 pro-hydroxy-pro Amino Acid Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos Early 100001167 2128 229.11829 18684-24-7 11673055 9847785 HMDB06695 proline Amino Acid Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos Early 480 1603 116.07061 147-85-3 145742 128566 C00148 HMDB00162 prolylglycine Peptide Dipeptide 40703 LC/MS Pos Early 100003674 2136 173.09207 2578-57-6 6426709 4932143 HMDB11178 propionylcarnitine (C3) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos Early 100001162 2590 218.13869 17298-37-2 107738 96904 C03017 HMDB00824 propionylglycine Lipid Fatty Acid Metabolism (also BCAA Metabolism) 31932 LC/MS Neg 100001150 960 130.05096 21709-90-0 98681 89122 HMDB00783 propyl 4-hydroxybenzoate sulfate Xenobiotics Benzoate Metabolism 48460 LC/MS Neg 100006264 3971 259.02818 162338-10-5 48063224 pseudouridine Nucleotide Pyrimidine Metabolism, Uracil containing 33442 LC/MS Neg 821 1100 243.06226 1445-07-4 15047 21403010 C02067 HMDB00767 pyridoxal Cofactors and Vitamins Vitamin B6 Metabolism 1651 LC/MS Pos Early 491 2343 168.06552 65-22-5 1050 1021 C00250 HMDB01545 pyridoxate Cofactors and Vitamins Vitamin B6 Metabolism 31555 LC/MS Neg 100001121 2185 182.04588 82-82-6 6723 6467 C00847 HMDB00017 pyroglutamine* Amino Acid Glutamate Metabolism 46225 LC/MS Pos Early 100001540 1900 129.06586 2353-44-8 134508 118562 pyrraline Xenobiotics Food Component/Plant 48428 LC/MS Neg 100001767 2304 253.11938 74509-14-1 122228 19980286 HMDB33143 pyruvate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48990 LC/MS Polar 823 1083 87.00877 127-17-3 1060 96901 C00022 HMDB00243 quinate Xenobiotics Food Component/Plant 18335 LC/MS Polar 100000442 2432.9 191.05611 77-95-2 6508 10246715 C00296 HMDB03072 quinine Xenobiotics Drug - Antibiotic 39767 LC/MS Pos Early 100002968 3378 325.19106 130-95-0 2728270 2010267 quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1899 LC/MS Pos Early 182 845 168.02914 89-00-9 1066 1037 C03722 HMDB00232 ranitidine Xenobiotics Drug - Gastrointestinal 38595 LC/MS Pos Early 100002735 2910 315.14854 66357-59-3 3001055 2272523 D00422 HMDB01930 resveratrol disulfate (1)* Xenobiotics Food Component/Plant 62110 LC/MS Neg 100020247 2530 192.98886 resveratrol disulfate (2)* Xenobiotics Food Component/Plant 62111 LC/MS Neg 100020248 2840 192.98886 resveratrol sulfate (1)* Xenobiotics Food Component/Plant 62108 LC/MS Neg 100020245 3250 307.02818 retinal Cofactors and Vitamins Vitamin A Metabolism 40807 LC/MS Pos Late 100004088 1666 285.2213 638015 553582 C00376 HMDB01358 retinol (Vitamin A) Cofactors and Vitamins Vitamin A Metabolism 1806 LC/MS Pos Late 498 1636 269.22639 68-26-8 445354 393012 C00473 HMDB00305 ribitol Carbohydrate Pentose Metabolism 15772 LC/MS Polar 100000406 1789.6 151.06119 488-81-3 6912 10254628 C00474 HMDB00508 riboflavin (Vitamin B2) Cofactors and Vitamins Riboflavin Metabolism 1827 LC/MS Neg 500 3160 255.08873 83-88-5 493570 431981 C00255 HMDB00244 ribonate Carbohydrate Pentose Metabolism 27731 LC/MS Polar 100001007 2425 165.04046 8/3/5336 5460677 4574162 C01685 HMDB00867 ribulonate/xylulonate/lyxonate* Carbohydrate Pentose Metabolism 61858 LC/MS Polar 100019968 2350 165.04046 ritalinic acid Xenobiotics Drug - Neurological 22196 LC/MS Pos Early 100000579 3207 220.13321 19395-41-6 86863 78360 HMDB42008 rosuvastatin Xenobiotics Drug - Metabolic 40421 LC/MS Neg 100003272 4500 480.161 147098-20-2 446157 393589 D01915 HMDB15230 rosuvastatin lactone Xenobiotics Drug - Metabolic 42000 LC/MS Pos Late 100004033 1044 464.165 503610-43-3 24599455 S-1-pyrroline-5-carboxylate Amino Acid Glutamate Metabolism 42370 LC/MS Pos Early 35 1528 114.05496 2906-39-0 1196 10140206 C04322 HMDB01301 S-adenosylhomocysteine (SAH) Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42382 LC/MS Neg 197 1832.4 383.11431 979-92-0 439155 16788012 C00021 HMDB00939 S-allylcysteine Xenobiotics Food Component/Plant 43239 LC/MS Pos Early 100004509 2690 162.05833 21593-77-1 98280 88744 HMDB34323 S-methylcysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 39592 LC/MS Neg 100002749 880 134.02812 1187-84-4 24417 22826 HMDB02108 S-methylcysteine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 43378 LC/MS Pos Early 100002927 900 152.03759 6853-87-8 82142 74136 HMDB29432 saccharin Xenobiotics Food Component/Plant 21151 LC/MS Neg 100000870 2000 181.99173 81-07-2 5143 4959 D01085 HMDB29723 salicylate Xenobiotics Drug - Topical Agents 1515 LC/MS Polar 501 802 137.02422 69-72-7 338 331 C00805 HMDB01895 salicyluric glucuronide* Xenobiotics Drug - Analgesics, Anesthetics 33384 LC/MS Neg 100001332 1463 370.07797 21403117 sarcosine Amino Acid Glycine, Serine and Threonine Metabolism 1516 LC/MS Pos Early 1023 1280 90.05496 107-97-1 1088 1057 C00213 HMDB00271 sebacate (C10-DC) Lipid Fatty Acid, Dicarboxylate 32398 LC/MS Neg 100001211 1788 201.11323 111-20-6 5192 5004 C08277 HMDB00792 sedoheptulose Carbohydrate Pentose Metabolism 53237 LC/MS Polar 100002619 2255 209.06667 3019-74-7 5459879 4573620 HMDB03219 serine Amino Acid Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos Early 503 1239 106.04987 56-45-1 5951 5736 C00065 HMDB00187 serotonin Amino Acid Tryptophan Metabolism 2342 LC/MS Pos Early 504 2550 177.10224 153-98-0 5202 5013 C00780 HMDB00259 sitagliptin Xenobiotics Drug - Metabolic 52954 LC/MS Neg 100008964 4485 468.11119 486460-32-6 11306691 9481667 spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos Early 50 3355 146.16518 124-20-9 1102 1071 C00315 HMDB01257 spermine Amino Acid Polyamine Metabolism 603 LC/MS Pos Early 507 3350 203.22303 71-44-3 1103 1072 C00750 HMDB01256 sphingadienine Lipid Sphingolipid Synthesis 57426 LC/MS Pos Late 100015643 1350 298.27406 25696-03-1 6449795 4952479 sphinganine Lipid Sphingolipid Synthesis 17769 LC/MS Pos Late 313 1413 302.30536 3102-56-5 3126 3014 C00836 HMDB00269 sphinganine-1-phosphate Lipid Sphingolipid Synthesis 52605 LC/MS Pos Late 100001876 1431 382.27169 19794-97-9 520 505 HMDB01383 sphingosine Lipid Sphingosines 17747 LC/MS Pos Late 297 1393 300.28971 123-78-4 5353955 4510275 C00319 HMDB00252 sphingosine 1-phosphate Lipid Sphingosines 34445 LC/MS Pos Late 100000626 1375 380.25604 26993-30-6 5283560 4446673 C06124 HMDB00277 stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos Early 100001296 1440 144.10191 4136-37-2 115244 103115 C10172 HMDB04827 stearate (18:0) Lipid Long Chain Saturated Fatty Acid 1358 LC/MS Neg 439 5872 283.26425 57-11-4 5281 5091 C01530 HMDB00827 stearidonate (18:4n3) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 33969 LC/MS Neg 100001229 5395 275.20165 111174-40-4 5312508 4471933 C16300 HMDB06547 stearoyl ethanolamide Lipid Endocannabinoid 38625 LC/MS Pos Late 100002254 1787 328.32101 111-57-9 27902 25958 HMDB13078 stearoylcarnitine (C18) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 34409 LC/MS Pos Late 100001391 1485 428.37344 18822-91-8 6426855 21233653 HMDB00848 stearoylcholine* Lipid Fatty Acid Metabolism (Acyl Choline) 57464 LC/MS Pos Late 100015759 1520 370.36797 suberate (C8-DC) Lipid Fatty Acid, Dicarboxylate 15730 LC/MS Polar 100000016 2577.6 173.08193 505-48-6 10457 10025 C08278 HMDB00893 suberoylcarnitine (C8-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 52990 LC/MS Pos Early 100006627 2964 318.19112 succinate Energy TCA Cycle 1437 LC/MS Neg 252 603 117.01933 110-15-6 1110 1078 C00042 HMDB00254 succinimide Xenobiotics Chemical 41888 LC/MS Polar 100003696 2155 116.03532 123-56-8 11439 10955 C07273 succinoyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 63678 LC/MS Polar 100021220 2572 224.02343 20509456 succinylcarnitine (C4-DC) Energy TCA Cycle 37058 LC/MS Pos Early 100001948 2291 262.12852 256928-74-2 71464481 28639166 HMDB61717 sucrose Carbohydrate Disaccharides and Oligosaccharides 1519 LC/MS Polar 935 3092 387.11442 57-50-1 5988 5768 C00089 HMDB00258 sulfate of piperine metabolite C16H19NO3 (2)* Xenobiotics Food Component/Plant 62295 LC/MS Neg 100020496 4112 352.08601 sulfate of piperine metabolite C16H19NO3 (3)* Xenobiotics Food Component/Plant 62296 LC/MS Neg 100020497 4200 352.08601 sulfate of piperine metabolite C18H21NO3 (1)* Xenobiotics Food Component/Plant 62297 LC/MS Neg 100020502 4481 378.10167 sulfate of piperine metabolite C18H21NO3 (3)* Xenobiotics Food Component/Plant 62299 LC/MS Neg 100020504 4630 378.10167 sulfate* Xenobiotics Chemical 46960 LC/MS Neg 100002528 616 96.9601 14808-79-8 1118 1086 C00059 HMDB01448 tadalafil Xenobiotics Drug - Cardiovascular 52950 LC/MS Neg 100008974 4898 388.13028 171596-29-5 4687521 3875386 tartronate (hydroxymalonate) Xenobiotics Food Component/Plant 20693 LC/MS Neg 100000840 610 118.99859 80-69-3 45 44 C02287 HMDB35227 taurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Pos Early 512 660 126.02195 107-35-7 1123 1091 C00245 HMDB00251 taurochenodeoxycholate Lipid Primary Bile Acid Metabolism 18494 LC/MS Neg 1629 5250 498.28948 6009-98-9 387316 343282 C05465 HMDB00951 taurochenodeoxycholic acid 3-sulfate Lipid Secondary Bile Acid Metabolism 62890 LC/MS Neg 100021093 4809 288.61951 24850141 HMDB02486 taurocholate Lipid Primary Bile Acid Metabolism 18497 LC/MS Neg 1648 5150 514.28439 145-42-6 6675 C05122 HMDB00036 taurocholenate sulfate* Lipid Secondary Bile Acid Metabolism 32807 LC/MS Neg 100001990 4750 279.61422 taurodeoxycholate Lipid Secondary Bile Acid Metabolism 12261 LC/MS Neg 1668 5257.4 498.28948 207737-97-1 2733768 2015539 C05463 HMDB00896 taurodeoxycholic acid 3-sulfate Lipid Secondary Bile Acid Metabolism 62889 LC/MS Neg 100006644 4850 288.61951 taurolithocholate 3-sulfate Lipid Secondary Bile Acid Metabolism 36850 LC/MS Neg 100001658 5027 280.62205 64936-83-0 440071 389078 C03642 HMDB02580 tetradecadienedioate (C14:2-DC)* Lipid Fatty Acid, Dicarboxylate 62918 LC/MS Neg 100021100 3148 253.14453 tetradecadienoate (14:2)* Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 62850 LC/MS Neg 100020343 5292 223.17035 39039-37-7 5312409 4471834 HMDB00560 tetradecanedioate (C14-DC) Lipid Fatty Acid, Dicarboxylate 35669 LC/MS Neg 100001613 3985 257.17583 821-38-5 13185 12630 HMDB00872 theanine Xenobiotics Food Component/Plant 22206 LC/MS Pos Early 100000784 2180 175.10772 3081-61-6 439378 388498 C01047 HMDB34365 theobromine Xenobiotics Xanthine Metabolism 18392 LC/MS Pos Early 100000445 1600 181.07201 83-67-0 5429 5236 C07480 HMDB02825 theophylline Xenobiotics Xanthine Metabolism 18394 LC/MS Neg 100000437 2356.9 179.05745 58-55-9 2153 2068 C07130 HMDB01889 thioproline Xenobiotics Chemical 53231 LC/MS Pos Early 100009232 1250 134.02703 34592-47-4 93176 84120 threonate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 27738 LC/MS Polar 100001022 2384 135.02989 70753-61-6 151152 133224 C01620 HMDB00943 threonine Amino Acid Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos Early 564 1514 120.06552 72-19-5 6288 6051 C00188 HMDB00167 thymol sulfate Xenobiotics Food Component/Plant 36095 LC/MS Neg 100001757 4410 229.054 89-83-8 10709958 C09908 HMDB01878 thyroxine Amino Acid Tyrosine Metabolism 2761 LC/MS Neg 1094 4808 775.67944 51-48-9 5819 5614 C01829 HMDB01918 tiglylcarnitine (C5:1-DC) Amino Acid Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos Early 100001597 2962 244.15434 64191-86-2 22833596 17216200 HMDB02366 topiramate Xenobiotics Drug - Neurological 2772 LC/MS Neg 1388 4021 338.09151 97240-79-4 5284627 4447672 C07502 HMDB05034 tramadol Xenobiotics Drug - Analgesics, Anesthetics 53241 LC/MS Pos Late 100006381 760 264.19581 27203-92-5 33741 31105 C07153 HMDB14339 trans-2-hexenoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 61798 LC/MS Neg 100019884 2707 170.08226 25033670 trans-4-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Pos Early 1001 1064 132.06552 51-35-4 5810 5605 C01157 HMDB00725 trans-urocanate Amino Acid Histidine Metabolism 607 LC/MS Pos Early 537 2285 139.05021 104-98-3 736715 643824 C00785 HMDB00301 trazadone Xenobiotics Drug - Psychoactive 57691 LC/MS Pos Early 100015783 3498 372.15857 19794-93-5 5533 5332 C07156,D08626 HMDB14794 triamterene Xenobiotics Drug - Cardiovascular 42593 LC/MS Pos Early 100003968 3164 254.11487 396-01-0 5546 5345 D00386 HMDB01940 tridecenedioate (C13:1-DC)* Lipid Fatty Acid, Dicarboxylate 62919 LC/MS Neg 100002199 3051 241.14453 trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos Early 100001092 1388 138.05496 535-83-1 5570 5369 C01004 HMDB00875 trimethylamine N-oxide Lipid Phospholipid Metabolism 40406 LC/MS Pos Early 100003397 2100 76.07569 1184-78-7 1145 1113 C01104 HMDB00925 tryptophan Amino Acid Tryptophan Metabolism 54 LC/MS Pos Early 565 2986 205.09716 73-22-3 6305 6066 C00078 HMDB00929 tryptophan betaine Amino Acid Tryptophan Metabolism 37097 LC/MS Pos Early 100001743 2673 247.14411 20671-76-5 442106 390633 C09213 HMDB61115 tyramine O-sulfate Amino Acid Tyrosine Metabolism 48408 LC/MS Neg 100006092 1565 216.0336 30223-92-8 153005 134849 HMDB06409 tyrosine Amino Acid Tyrosine Metabolism 1299 LC/MS Pos Early 815 2430 182.08117 60-18-4 6057 5833 C00082 HMDB00158 umbelliferone sulfate Xenobiotics Food Component/Plant 48674 LC/MS Neg 100006282 2440 240.98123 69526-88-1 129659 114800 undecanedioate (C11-DC) Lipid Fatty Acid, Dicarboxylate 42395 LC/MS Neg 100001617 2440 215.12888 1852-04-6 15816 15037 HMDB00888 undecenoylcarnitine (C11:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 63613 LC/MS Pos Late 100021131 1069 328.24824 uracil Nucleotide Pyrimidine Metabolism, Uracil containing 605 LC/MS Polar 825 1089.7 111.02 66-22-8 1174 1141 C00106 HMDB00300 urate Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1604 LC/MS Neg 1134 757.1 167.02106 69-93-2;120K5305 1175 C00366 HMDB00289 urea Amino Acid Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos Early 533 700 121.07201 57-13-6 1176 1143 C00086 HMDB00294 uridine Nucleotide Pyrimidine Metabolism, Uracil containing 606 LC/MS Neg 535 1457.6 243.06226 58-96-8 6029 5807 C00299 HMDB00296 ursodeoxycholate Lipid Secondary Bile Acid Metabolism 1605 LC/MS Neg 1135 5055 391.28538 128-13-2 31401 29131 C07880 HMDB00946 valine Amino Acid Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos Early 566 2479 118.08626 72-18-4 6287 6050 C00183 HMDB00883 valsartan Xenobiotics Drug - Cardiovascular 48566 LC/MS Neg 100006232 4228 434.21976 137862-53-4 5650 5448 valylglycine Peptide Dipeptide 40475 LC/MS Polar 100003641 1519 173.09316 686-43-1 136487 120256 HMDB29127 vanillactate Amino Acid Tyrosine Metabolism 54910 LC/MS Neg 100006129 1625 211.06119 2475-56-1 160637 141152 HMDB00913 vanillic acid glycine Xenobiotics Food Component/Plant 63853 LC/MS Neg 100021363 1682 224.05644 3083688 2340857 HMDB60026 vanillic alcohol sulfate Amino Acid Tyrosine Metabolism 48733 LC/MS Neg 100006125 1808 233.01253 754920-02-0 vanillylmandelate (VMA) Amino Acid Tyrosine Metabolism 1567 LC/MS Neg 1111 941 197.04555 55-10-7 1245 1207 C05584 HMDB00291 venlafaxine Xenobiotics Drug - Psychoactive 38623 LC/MS Pos Late 100002807 848 278.21146 93413-69-5 5656 5454 C07187 HMDB05016 verapamil Xenobiotics Drug - Cardiovascular 42990 LC/MS Pos Late 100004028 945 455.29044 152-11-4 2520 2425 D02356 HMDB01850 warfarin Xenobiotics Drug - Cardiovascular 43335 LC/MS Neg 100004175 3790 307.09758 5543-57-7 C01541 HMDB01935 xanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3147 LC/MS Polar 1004 2023 151.02615 69-89-6 1188 1151 C00385 HMDB00292 xanthurenate Amino Acid Tryptophan Metabolism 15679 LC/MS Neg 100000015 1476 204.03023 59-007 5699 5497 C02470 HMDB00881 ximenoylcarnitine (C26:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57517 LC/MS Pos Late 100015836 1607 538.48299 xylose Carbohydrate Pentose Metabolism 15581 LC/MS Polar 826 1727 195.05103 609-06-3 135191 85957 C00181 HMDB00098 zolpidem Xenobiotics Drug - Psychoactive 62976 LC/MS Pos Early 100004174 3346 308.17574 82626-48-0 METABOLITES_END #END