#METABOLOMICS WORKBENCH FADHLYEMEN_20200622_072840 DATATRACK_ID:2059 STUDY_ID:ST001411 ANALYSIS_ID:AN002361 PROJECT_ID:PR000967 VERSION 1 CREATED_ON June 23, 2020, 8:25 am #PROJECT PR:PROJECT_TITLE Plasma metabolites of lipid metabolism associate with diabetic polyneuropathy in PR:PROJECT_TITLE a cohort with screen-tested type 2 diabetes: ADDITION-Denmark PR:PROJECT_SUMMARY The global rise in type 2 diabetes (T2D) is associated with a concomitant PR:PROJECT_SUMMARY increase in diabetic complications. Diabetic polyneuropathy (DPN), the most PR:PROJECT_SUMMARY frequent T2D complication, is characterized by sensory peripheral nerve damage. PR:PROJECT_SUMMARY Although managing glucose effectively slows DPN progression in type 1 diabetes PR:PROJECT_SUMMARY patients, it has limited efficacy in neuropathic T2D patients. The metabolic PR:PROJECT_SUMMARY syndrome (MetS) recently emerged as a major risk factor for DPN; however, the PR:PROJECT_SUMMARY metabolites associated with MetS that correlate with DPN are unknown. We PR:PROJECT_SUMMARY conducted a global plasma metabolomics analysis from a cohort of patients PR:PROJECT_SUMMARY enrolled in the Anglo-Danish-Dutch study of Intensive Treatment of Diabetes in PR:PROJECT_SUMMARY Primary Care (ADDITION), including healthy control subjects, T2D patients, and PR:PROJECT_SUMMARY T2D DPN patients. We identified 15 total plasma metabolites that were altered in PR:PROJECT_SUMMARY T2D DPN patients, including lipids, amino acids, and energy-related metabolites. PR:PROJECT_SUMMARY We evaluated the correlation between these metabolites and all lipid species to PR:PROJECT_SUMMARY identify major changes in both plasma free fatty acids and complex lipids in T2D PR:PROJECT_SUMMARY DPN patients, and found significant alterations in the abundance of long-chain PR:PROJECT_SUMMARY saturated fatty acids, acylcarnitines, and sphingolipids. Our study suggests PR:PROJECT_SUMMARY that DPN in T2D is associated with novel alterations in plasma metabolites PR:PROJECT_SUMMARY related to lipid metabolism. PR:INSTITUTE University of Michigan PR:DEPARTMENT Neurology Department PR:LABORATORY Feldman's lab 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 7347637274 PR:FUNDING_SOURCE Support for this research was provided by the Novo Nordisk Foundation through a PR:FUNDING_SOURCE Novo Nordisk Foundation Challenge Programme grant (NNF14OC0011633), the National PR:FUNDING_SOURCE Institutes of Health (1R24082841, 1R21NS102924, and 1DP3DK094292), the National PR:FUNDING_SOURCE Institute for Diabetes and Digestive and Kidney Diseases (NIDDK) (1F32DK112642 PR:FUNDING_SOURCE and 1K99DK119366), the American Diabetes Association (7-12-BS-045), the PR:FUNDING_SOURCE NeuroNetwork for Emerging Therapies, and the A. Alfred Taubman Medical Research PR:FUNDING_SOURCE Institute. #STUDY ST:STUDY_TITLE Plasma metabolites of lipid metabolism associate with diabetic polyneuropathy in ST:STUDY_TITLE a cohort with screen-tested type 2 diabetes: ADDITION-Denmark ST:STUDY_SUMMARY The global rise in type 2 diabetes (T2D) is associated with a concomitant ST:STUDY_SUMMARY increase in diabetic complications. Diabetic polyneuropathy (DPN), the most ST:STUDY_SUMMARY frequent T2D complication, is characterized by sensory peripheral nerve damage. ST:STUDY_SUMMARY Although managing glucose effectively slows DPN progression in type 1 diabetes ST:STUDY_SUMMARY patients, it has limited efficacy in neuropathic T2D patients. The metabolic ST:STUDY_SUMMARY syndrome (MetS) recently emerged as a major risk factor for DPN; however, the ST:STUDY_SUMMARY metabolites associated with MetS that correlate with DPN are unknown. We ST:STUDY_SUMMARY conducted a global plasma metabolomics analysis from a cohort of patients ST:STUDY_SUMMARY enrolled in the Anglo-Danish-Dutch study of Intensive Treatment of Diabetes in ST:STUDY_SUMMARY Primary Care (ADDITION), including healthy control subjects, T2D patients, and ST:STUDY_SUMMARY T2D DPN patients. We identified 15 total plasma metabolites that were altered in ST:STUDY_SUMMARY T2D DPN patients, including lipids, amino acids, and energy-related metabolites. ST:STUDY_SUMMARY We evaluated the correlation between these metabolites and all lipid species to ST:STUDY_SUMMARY identify major changes in both plasma free fatty acids and complex lipids in T2D ST:STUDY_SUMMARY DPN patients, and found significant alterations in the abundance of long-chain ST:STUDY_SUMMARY saturated fatty acids, acylcarnitines, and sphingolipids. Our study suggests ST:STUDY_SUMMARY that DPN in T2D is associated with novel alterations in plasma metabolites ST:STUDY_SUMMARY related to lipid metabolism. 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 7347637274 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 106 ST:NUM_MALES 83 ST:NUM_FEMALES 23 #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-01419 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01420 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01421 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01422 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01423 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01424 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01425 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01426 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01427 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01428 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01429 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01430 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01431 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01432 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01433 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01434 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01435 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01436 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01437 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01438 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01439 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01440 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01441 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01442 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01443 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01444 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01445 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01446 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01447 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01448 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01449 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01450 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01451 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01452 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01453 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01454 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01455 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01456 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01457 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01458 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01459 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01460 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01461 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01462 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01463 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01464 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01465 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01466 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01467 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01468 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01469 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01470 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01471 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01472 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01473 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01474 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01475 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01476 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01477 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01478 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01479 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01480 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01481 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01482 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01483 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01484 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01485 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01486 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01487 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01488 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01489 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01490 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01491 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01492 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01493 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01494 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01495 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01496 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01497 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01498 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01499 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01500 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01501 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01502 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01503 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01504 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01505 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01506 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01507 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01508 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01509 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01510 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01511 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01512 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01513 Group:Diabetic non neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01514 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01515 Group:Diabetic Neuropathy SUBJECT_SAMPLE_FACTORS - MICH-01516 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01517 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01518 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01519 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01520 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01521 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01522 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01523 Group:Normal SUBJECT_SAMPLE_FACTORS - MICH-01524 Group:Normal #COLLECTION CO:COLLECTION_SUMMARY At the mean 13 year follow up after T2D diagnosis, blood samples were collected CO:COLLECTION_SUMMARY from patients the same day as anthropometrics and DPN assessment. Plasma was CO:COLLECTION_SUMMARY collected in purple EDTA tubes with 10 mL of buffy coat, inverted 10 times, CO:COLLECTION_SUMMARY incubated for 30-90 minutes at room temperature, and centrifuged at 3000 rpm for CO:COLLECTION_SUMMARY 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 NA #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_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metabolon #MS MS:INSTRUMENT_NAME Waters Acquity MS:INSTRUMENT_TYPE UPLC-MS MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The informatics system consisted of four major components, the Laboratory MS:MS_COMMENTS Information Management System (LIMS), the data extraction and MS:MS_COMMENTS peak-identification software, data processing tools for QC and compound MS:MS_COMMENTS identification, and a collection of information interpretation and visualization MS:MS_COMMENTS tools for use by data analysts. The hardware and software foundations for these MS:MS_COMMENTS informatics components were the LAN backbone, and a database server running MS:MS_COMMENTS Oracle 10.2.0.1 Enterprise Edition. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples MICH-01419 MICH-01420 MICH-01421 MICH-01422 MICH-01423 MICH-01424 MICH-01425 MICH-01426 MICH-01427 MICH-01428 MICH-01429 MICH-01430 MICH-01431 MICH-01432 MICH-01433 MICH-01434 MICH-01435 MICH-01436 MICH-01437 MICH-01438 MICH-01439 MICH-01440 MICH-01441 MICH-01442 MICH-01443 MICH-01444 MICH-01445 MICH-01446 MICH-01447 MICH-01448 MICH-01449 MICH-01450 MICH-01451 MICH-01452 MICH-01453 MICH-01454 MICH-01455 MICH-01456 MICH-01457 MICH-01458 MICH-01459 MICH-01460 MICH-01461 MICH-01462 MICH-01463 MICH-01464 MICH-01465 MICH-01466 MICH-01467 MICH-01468 MICH-01469 MICH-01470 MICH-01471 MICH-01472 MICH-01473 MICH-01474 MICH-01475 MICH-01476 MICH-01477 MICH-01478 MICH-01479 MICH-01480 MICH-01481 MICH-01482 MICH-01483 MICH-01484 MICH-01485 MICH-01486 MICH-01487 MICH-01488 MICH-01489 MICH-01490 MICH-01491 MICH-01492 MICH-01493 MICH-01494 MICH-01495 MICH-01496 MICH-01497 MICH-01498 MICH-01499 MICH-01500 MICH-01501 MICH-01502 MICH-01503 MICH-01504 MICH-01505 MICH-01506 MICH-01507 MICH-01508 MICH-01509 MICH-01510 MICH-01511 MICH-01512 MICH-01513 MICH-01514 MICH-01515 MICH-01516 MICH-01517 MICH-01518 MICH-01519 MICH-01520 MICH-01521 MICH-01522 MICH-01523 MICH-01524 Factors Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Diabetic non neuropathy Group:Diabetic Neuropathy Group:Diabetic Neuropathy Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal Group:Normal (12 or 13)-methylmyristate (a15:0 or i15:0) 1.0081 0.6200 1.2463 0.3816 2.3662 1.2469 0.6884 0.2576 1.1514 0.5545 1.0019 1.0881 1.0461 1.0215 1.9402 1.1412 1.1713 0.6201 0.5445 0.8011 0.5412 0.4944 1.3022 1.3484 0.8400 0.8429 1.2588 1.0487 1.5621 1.6993 1.0402 0.9133 0.9690 0.5629 0.7815 1.1713 0.5235 0.8976 1.2710 1.6134 0.7299 0.6071 1.0749 0.9631 0.9312 0.9533 1.7222 0.7021 1.5460 0.6523 0.8054 1.6240 0.6574 0.9014 0.4519 1.0979 1.2957 1.2735 0.5803 2.4054 0.9635 0.7463 1.2640 1.1605 0.4697 0.8305 0.9964 0.5763 0.8392 0.8688 0.7456 2.6593 2.1402 0.8119 1.3559 1.0697 1.0332 1.2491 1.5458 0.7621 0.8186 1.7712 0.2576 1.3071 0.7597 0.2576 1.0020 0.8399 2.9332 1.7346 1.2557 1.1281 0.9981 0.7318 0.8153 1.5973 2.0693 0.9284 0.7026 0.8351 1.1646 0.6485 1.0575 1.2577 1.3420 0.5607 (14 or 15)-methylpalmitate (a17:0 or i17:0) 0.9479 0.8463 0.9224 0.3555 2.2763 1.2004 0.8028 0.2341 1.1251 0.4896 1.0143 1.4026 1.0650 0.8618 1.7601 1.0026 1.2671 0.5750 0.5368 0.6732 0.5572 0.3743 1.2105 1.1053 0.9209 0.9394 0.9404 0.8973 1.2215 1.4972 1.2600 0.6489 0.7546 0.5751 0.6762 1.0422 0.9997 0.7771 0.9995 1.4591 0.8784 0.6101 0.8214 1.2942 1.2166 1.0271 1.2466 0.7264 1.4222 0.7024 0.8538 1.6295 0.7910 1.4546 0.4733 1.0000 1.1971 0.9994 0.5285 1.7903 0.8278 0.8033 1.3956 1.1750 0.4756 0.9408 1.0632 0.7185 0.9324 1.0069 0.9056 2.9595 1.8212 0.9483 1.4293 1.1520 1.1444 1.8466 1.6867 1.3695 0.9515 1.9312 1.4256 1.6121 0.7966 0.9393 1.3851 0.2341 3.8069 2.2278 1.3118 1.1486 1.1770 0.8359 0.6785 1.5178 1.7260 0.8528 0.5327 0.7500 1.6171 0.9651 1.1415 1.8105 1.0403 0.6654 (16 or 17)-methylstearate (a19:0 or i19:0) 0.9252 0.7047 0.9760 0.2741 1.6630 0.9443 0.9579 0.3113 0.8669 0.3568 0.7417 1.2549 1.4748 0.5561 1.5693 1.0447 1.0201 0.6666 1.3963 0.7121 0.4758 0.4178 1.1625 1.1228 1.0623 0.6725 0.8082 0.9572 1.3077 0.9137 1.3446 0.9282 0.6424 0.4542 1.0310 1.0679 1.0700 0.8281 1.1790 1.2301 0.9415 0.9394 0.7916 0.8189 1.0917 2.0873 1.0250 0.8266 0.9425 1.0236 0.7084 1.0417 0.6080 1.4947 0.4906 1.0922 0.9312 1.1489 0.5196 1.2817 0.9554 1.0302 1.2892 0.8458 0.6133 1.2575 0.9807 0.7286 0.9773 1.0063 0.9752 1.8098 1.3185 0.9855 1.5689 0.8618 1.7878 2.7372 1.9423 0.8693 0.8263 1.9934 1.4691 1.5630 1.0205 1.2531 1.8673 1.7088 2.3930 2.3616 0.9644 0.9746 1.1150 0.9937 0.6240 1.4189 1.1108 0.7353 0.6336 0.6956 1.4487 1.4342 1.2174 1.8273 1.6396 0.5772 (2 or 3)-decenoate (10:1n7 or n8) 1.1977 0.6325 0.9332 0.2096 1.4090 0.8265 2.0061 0.1482 0.6806 0.1482 0.9224 0.8358 1.2139 1.2396 1.9209 1.2448 0.7056 0.3757 0.8554 0.7675 1.1212 0.5219 0.8511 2.3044 1.0000 0.6000 0.7703 0.7870 2.1776 1.2669 1.7797 0.9042 0.8113 0.6067 0.8192 1.1065 1.1703 0.7451 1.0909 1.1349 1.3120 0.5236 1.1867 1.2528 1.7231 0.6090 0.9749 0.7013 0.8180 0.7054 1.2357 2.9371 0.5003 1.1655 0.4024 0.4800 1.6521 0.7369 0.8943 1.9442 0.8768 1.3690 0.8955 1.0712 0.8785 1.0738 0.2918 1.2240 1.0210 0.7202 1.3774 1.2711 1.5793 0.7301 1.4232 1.2917 0.5254 1.6402 1.9038 1.6308 0.5619 2.5904 1.0392 0.8865 0.8061 0.5212 1.9637 1.4765 0.7600 0.7133 1.0914 1.1531 1.7271 0.6673 1.1257 1.5326 1.8346 1.6034 0.3323 2.5427 0.9436 0.8878 0.6075 1.0504 1.4389 0.6802 (2,4 or 2,5)-dimethylphenol sulfate 0.6378 5.7791 8.4241 0.2550 0.6699 0.2550 4.3112 0.7290 0.6041 0.2550 1.5344 0.3743 1.1806 31.7183 0.5525 0.2550 0.2550 0.2550 0.2550 0.2550 0.2550 0.8195 0.3466 0.8103 0.8777 0.2550 0.2550 0.2550 0.2550 0.2550 0.2550 3.3282 0.2550 5.8770 0.2550 0.4729 0.2550 5.8626 0.2550 2.7281 0.2550 2.6393 0.2550 4.6105 0.8471 3.2138 0.2550 0.2550 0.9128 0.2550 0.8941 0.2550 4.6381 0.2550 0.3800 1.7024 0.4912 0.2550 2.7408 5.8016 0.3331 1.5230 0.2550 0.2550 0.8642 1.5054 1.2913 0.2550 0.3733 2.5717 0.3914 0.2550 0.2550 0.2550 0.2550 0.2550 1.3267 0.8803 0.7973 0.2550 0.2550 0.8940 0.2550 0.2550 1.0872 0.2550 2.1980 4.3335 3.4930 3.7100 0.3761 0.3175 0.2550 4.9110 0.2550 0.2550 0.2550 0.2550 0.2550 0.2550 0.2550 0.2625 0.2550 1.3489 0.4321 0.4031 (2-butoxyethoxy)acetic acid 1.2035 3.5228 0.3318 0.3318 0.3318 0.3318 0.9136 1.0519 0.7486 0.5832 2.7202 0.3318 1.0376 1.0677 0.3318 0.3318 0.9911 0.3318 1.4846 1.0102 0.3318 0.3318 0.5458 1.3407 1.3994 0.3318 1.6026 0.3318 0.3318 0.3318 0.6450 0.3318 1.2118 1.1438 0.3318 0.5862 0.3318 0.6758 1.1231 0.9197 0.6733 0.3318 0.3318 0.4848 0.3318 0.9421 1.0089 0.8052 1.2600 1.0391 0.5404 0.3318 0.3318 0.3318 0.3318 0.3318 0.9192 1.2178 0.7600 0.3832 0.9730 0.3318 1.5558 0.3728 1.1064 4.6528 1.2010 1.3908 0.3318 0.8941 0.3318 0.6201 1.3221 0.3318 0.3318 0.3318 0.3318 0.3318 1.3426 0.8073 0.3318 1.1915 0.3318 0.8395 0.3318 0.3318 0.7662 0.3318 0.3318 0.3318 0.3318 0.8046 0.3318 0.4272 0.3318 1.1686 0.3318 0.3318 1.1426 0.3318 1.3069 0.5364 0.3318 0.4212 0.3318 0.3318 (N(1) + N(8))-acetylspermidine 1.4147 1.4981 0.7658 1.3567 0.9830 0.7351 0.5873 0.8197 0.7400 1.1205 1.0252 1.2835 0.9602 1.1074 0.7141 1.6700 1.2736 1.1317 1.2002 1.2042 0.7952 0.7081 0.8763 0.9331 0.8094 1.2108 0.9122 1.4150 2.0149 0.7439 0.6063 1.0351 0.7471 1.7694 0.7961 1.1053 1.3047 1.0813 0.9756 1.4343 1.0353 1.3521 0.8533 0.7144 1.5387 0.8177 0.7067 0.9463 0.8621 1.1189 0.6870 1.8067 0.7984 0.8809 0.7880 0.6792 0.8254 1.0836 1.4600 1.1332 0.9605 0.9958 1.3618 0.8631 0.9888 1.3485 1.1480 1.1853 0.9465 1.1398 1.5830 0.9966 1.2628 1.5705 0.8856 0.9854 1.1623 1.7859 1.0034 0.6786 0.7257 1.0430 1.0977 1.3836 0.7469 0.7298 0.9586 0.4733 0.9707 1.3581 1.2280 1.4013 1.0754 1.1655 0.7559 0.7427 1.2499 0.8760 0.6654 1.2700 1.0897 0.9863 1.7408 0.7782 1.7356 0.8716 (R)-3-hydroxybutyrylcarnitine 0.1562 0.1562 0.1845 0.1562 0.8749 0.1562 0.3833 0.1562 0.8864 0.1562 0.1562 0.4396 2.7267 2.9901 0.6196 0.1562 0.1562 0.1562 0.5979 0.5950 0.1562 0.1562 0.1562 0.1562 0.4806 0.1562 0.1562 0.1562 0.8433 1.2396 0.1562 0.1562 0.5084 0.1562 1.4812 0.3206 0.5252 2.3917 0.1562 0.8069 1.1495 0.9487 0.1562 3.0836 11.7643 1.2052 0.1562 0.8455 0.8032 1.0272 0.9944 2.9775 0.5727 0.4415 0.6670 0.4441 0.1562 5.5769 0.2187 0.8056 0.7215 0.1562 5.5883 1.4889 0.5484 0.5842 0.4279 3.3696 2.7687 0.8169 5.0523 1.1988 5.5175 7.5262 1.0808 0.5661 3.0363 3.9130 1.0000 0.1562 0.9848 7.3827 0.1562 2.4187 0.6112 1.0545 1.8807 3.3122 3.0810 1.2687 7.0530 2.0993 4.8711 1.3035 0.7551 0.7088 1.0043 2.3996 0.1562 0.1562 3.0606 0.1562 0.4350 0.4578 1.1578 0.7558 (S)-3-hydroxybutyrylcarnitine 0.4901 0.9810 0.8267 0.3527 0.4792 1.0207 1.3643 0.4718 1.0010 0.2197 0.4792 0.4295 1.5917 3.6686 0.8047 0.9911 1.6623 0.1455 1.2167 1.2043 0.9058 0.6741 0.6185 0.8395 0.8645 0.5606 0.3314 0.4560 1.4525 1.1109 0.6205 0.4806 0.9990 0.9862 2.2213 0.6496 0.5619 2.1182 0.5622 0.7915 0.7434 0.8563 0.7428 1.3949 3.6141 0.8869 0.5863 0.5346 1.5839 1.3555 1.0687 1.5507 0.7812 0.8429 1.1115 1.0017 1.1587 2.7482 1.0390 1.0490 0.9804 0.8574 2.9918 1.2011 0.7246 0.5484 0.7081 3.7655 2.8925 0.7585 2.7020 1.3665 4.8536 1.0308 1.0434 1.1690 0.8795 4.8488 1.4288 1.2897 0.7753 3.0652 0.5703 1.7936 0.6393 0.7657 0.9652 1.4875 2.1891 1.4527 2.1193 2.9709 2.9756 1.1903 1.1546 1.1394 1.1563 1.2539 0.3772 0.5177 2.3800 0.4345 0.6752 0.8119 1.4200 1.6314 1,2,3-benzenetriol sulfate (2) 1.1281 0.4404 2.2684 0.8113 0.1057 0.3686 1.2194 0.5256 0.3485 2.1683 2.1681 1.1346 1.3989 1.6636 4.5582 1.1413 1.4115 0.9685 1.0902 1.5507 0.4963 2.1770 2.4515 0.9972 1.6764 2.1202 4.3613 2.0278 0.5753 0.6141 1.7792 1.6398 2.0993 2.0560 1.0883 1.8439 5.1514 4.4478 2.9602 0.4751 0.0449 0.1854 1.5651 2.2539 1.0237 7.7805 1.3912 4.6054 0.5333 0.4170 0.6279 0.2400 1.2303 1.8520 1.0486 1.1654 0.0419 3.0445 2.4248 0.2446 3.4466 2.6311 0.0296 0.2034 0.3003 0.6608 0.4623 0.2983 0.3226 0.3752 0.1404 1.0296 1.7258 0.4278 0.0551 1.3711 7.1534 1.2379 0.6710 0.8531 1.9701 0.0386 0.4037 0.1655 0.5296 0.1827 0.0296 1.7013 1.0028 0.7981 0.5098 0.2289 0.0532 0.0296 0.0516 0.1243 0.1545 0.8092 0.4441 4.7805 0.1288 0.0525 0.7831 0.1064 0.4553 1.4835 1,2-dilinoleoyl-GPC (18:2/18:2) 0.7618 0.5909 0.6089 0.7827 0.6686 1.2961 1.4009 0.4534 1.5991 1.2418 1.1996 0.9965 1.8334 0.8061 1.0681 1.0521 1.0971 0.8710 0.5038 1.5869 1.2270 0.6117 0.6053 1.1295 0.5366 0.3549 1.4759 0.4824 1.5404 1.0932 0.7293 0.4155 1.0265 1.1705 0.5629 0.4038 1.7532 1.5542 0.5248 0.6408 0.9501 0.4912 0.5451 0.8946 0.6492 0.6035 1.4404 1.1425 1.1683 0.3348 0.7374 0.7139 1.3633 1.4393 0.7042 0.6626 0.3780 0.9434 1.1609 0.6417 1.2086 0.4801 1.0104 1.0035 1.1054 1.3382 1.1057 0.9201 1.1379 0.6837 0.7342 1.6613 1.3090 1.1088 0.9462 1.6939 0.9159 0.9123 0.5245 1.3272 1.5469 1.2064 0.9690 1.0362 1.0342 1.6252 0.6567 0.6677 0.6925 1.8579 1.1758 0.6174 0.5255 0.4335 0.8211 0.6817 1.9615 2.0368 1.6452 3.2985 1.6004 0.7463 1.7897 1.9385 1.7883 2.4675 1,2-dilinoleoyl-GPE (18:2/18:2)* 0.8907 0.2744 1.2168 3.9289 1.1967 3.2118 0.2744 0.9241 1.4707 2.4526 1.9021 0.4518 3.7745 0.7996 1.3360 1.0864 0.4849 1.5265 0.8461 0.2744 1.3833 0.2744 0.7934 3.6657 0.5846 0.2744 2.0461 0.8494 1.4550 1.5517 0.8688 0.2744 1.1377 2.4203 0.8913 1.1433 3.3485 1.6675 0.9067 0.5023 0.8074 0.8943 0.8110 0.7567 0.2744 1.0000 2.8593 1.0259 0.4565 0.2744 0.2744 0.7899 0.6577 1.1590 1.8782 0.5608 0.2744 1.4899 1.2163 0.6956 0.2744 0.2744 0.7013 0.3115 1.3074 1.0175 0.5568 1.2655 0.5698 0.2744 0.5654 1.2913 1.4127 2.7594 1.6613 1.1856 2.8041 0.8948 0.5750 0.2744 1.5465 0.9180 0.2744 0.5406 0.7771 0.5650 0.4878 0.4557 1.1449 2.3842 0.5065 1.1835 0.2744 0.4167 0.2744 0.6268 1.7677 0.8041 0.6608 0.2744 1.1432 0.2744 0.2744 1.4758 0.7225 0.7860 1,2-dipalmitoyl-GPC (16:0/16:0) 0.9707 0.9099 0.6832 0.6750 1.2229 1.0735 0.9830 0.5997 1.0670 0.9086 0.8434 0.9784 1.0361 1.1644 0.8776 0.8715 0.9283 0.8492 0.7294 1.3396 1.2106 0.9995 0.7326 0.9432 0.9757 1.0074 0.9998 0.7441 1.1125 0.8986 0.7923 0.9206 1.1773 1.2196 0.9004 1.0805 0.9085 1.0932 0.7278 0.9185 1.2210 0.7266 1.2411 0.9320 1.2924 0.8721 0.9856 1.2437 1.1281 0.9000 1.1703 1.3913 1.2272 1.4257 0.8261 0.9112 1.0465 1.1087 0.9748 0.8842 1.0094 0.8585 1.6153 1.1490 0.8251 1.0401 1.1954 0.7474 1.0148 1.0015 0.9577 1.1632 1.3131 0.9107 0.7494 1.7464 0.9928 0.8282 0.6888 1.2006 1.1382 1.1172 0.9653 1.0318 1.0078 0.9318 1.2326 0.8401 1.0782 1.1905 1.3491 0.9872 0.8212 0.8031 1.2230 0.9260 1.0990 1.1169 1.0944 1.2336 1.0002 0.8310 1.3196 1.0825 1.1540 1.3899 1,3,7-trimethylurate 1.0833 0.5306 1.5199 0.0569 1.0043 0.1640 0.4781 0.0569 0.7333 0.0569 3.1438 0.9653 2.9999 1.9462 3.2414 0.9203 2.4423 0.9126 1.2692 1.9657 0.1885 1.8529 1.8986 1.5396 1.7009 2.2643 1.5293 1.5480 0.5375 0.8775 1.1939 1.6449 3.7963 2.3220 1.2650 2.8486 1.0912 5.2166 2.9464 0.6330 0.0569 0.3061 2.3233 0.7176 3.4090 6.5023 1.5002 1.1464 0.9957 1.1230 2.1534 0.0875 2.3302 2.0694 0.5276 0.6048 2.5072 1.7803 3.2318 0.1587 2.0640 2.3470 0.3707 0.1345 1.3820 0.7930 0.6105 1.7359 1.2564 0.0569 0.3425 0.7725 3.6944 0.0569 1.1972 0.7052 0.2117 0.4448 0.3451 0.8368 0.8760 0.4144 1.0911 0.4396 0.8574 0.9139 0.0569 0.4173 0.0569 0.5742 1.3818 0.1864 0.2972 0.1587 0.0569 0.5729 1.3981 0.5625 0.2038 0.1290 0.7301 1.4115 0.6469 0.3570 0.3018 0.3920 1,3-dimethylurate 1.3580 1.1225 2.1561 0.0450 0.9545 0.2813 0.8900 0.1559 1.3830 0.1856 2.3416 1.2454 1.0521 1.7554 1.1091 1.0759 0.7776 0.5543 1.6028 0.8566 0.5592 1.1510 1.6057 1.3483 0.8479 1.4690 1.4238 1.7574 0.0450 0.3702 0.7249 0.7992 2.2957 1.4050 1.0891 2.6136 0.3453 3.5141 2.7121 0.8090 0.0450 0.9569 1.4913 1.1083 1.0750 2.1557 0.8755 0.6408 0.7252 1.6149 1.7368 0.2402 1.2408 1.1796 0.9685 0.3657 1.6237 2.3480 1.2541 0.0878 2.2966 1.8221 0.5530 0.5362 1.2742 1.4173 1.3186 0.6378 1.3326 0.0450 0.8563 0.4167 1.2113 0.3205 1.4537 0.6185 0.4138 1.7983 0.2814 0.2697 0.9868 0.6396 1.8706 1.0997 0.8787 1.4564 0.1314 0.6130 0.0450 0.5389 1.4130 0.8658 0.6962 0.6775 0.0757 1.0132 1.8505 1.3165 0.5722 0.3481 0.9783 0.6163 0.7648 0.5201 0.7422 2.3261 1,5-anhydroglucitol (1,5-AG) 0.4503 1.3106 0.6039 0.0848 0.2502 0.5979 1.4342 1.4928 1.4681 0.8137 0.3819 0.5554 0.0373 1.0104 1.5540 1.8183 1.5316 1.0666 0.2136 1.5181 1.9088 0.8754 1.1421 0.4601 0.9488 1.0163 1.5069 1.3487 1.1904 1.6544 0.2514 1.2142 1.6064 1.0793 1.1661 0.1101 0.9896 1.5083 1.0147 0.1189 0.9128 0.3976 0.7580 0.6177 1.2776 0.4065 0.1923 1.4371 1.4256 0.6114 0.7338 0.5351 1.3652 0.1382 1.3515 1.5104 1.0469 0.7822 0.7944 0.5190 0.5748 0.7063 0.2933 1.0145 0.7263 2.0285 0.8815 1.7600 1.7889 1.0433 0.6965 0.8127 1.1652 0.0268 0.1598 1.1223 0.4708 1.7493 1.3696 1.5856 0.6226 0.8259 0.8588 0.8799 0.1465 0.4173 0.9674 0.8608 0.4953 0.5023 0.8828 1.5096 0.8430 1.0365 1.1524 1.0879 0.3853 1.4265 1.3043 1.2063 1.2344 1.7121 1.1824 1.1619 1.9609 1.4795 1,7-dimethylurate 1.2635 0.5719 1.0998 0.0106 0.7212 0.3254 0.6827 0.1145 0.8450 0.0888 1.5976 1.1324 1.1585 1.2462 1.3653 0.9693 1.7498 1.4916 0.9437 1.5798 0.2640 1.1188 1.7348 0.9268 0.7722 1.4865 1.2222 0.9239 1.2276 0.9380 1.1614 0.7558 1.9844 1.0707 1.1699 1.9449 1.1860 2.4113 1.2254 0.7377 0.0106 0.7107 1.0053 0.9463 0.9830 1.3564 0.9038 0.8563 1.2793 0.9822 1.2960 0.1668 1.2125 1.0107 0.8701 0.4477 1.9254 1.6478 1.8503 0.1282 1.9556 1.0000 0.5330 0.3419 1.3223 1.4865 0.9215 1.3728 1.5350 0.1583 0.7987 1.3059 2.9095 0.3709 1.5772 1.0538 0.4623 1.0837 0.5396 0.8334 1.1943 0.7172 1.1981 0.9708 1.4973 1.3981 0.1244 0.4777 0.0490 0.9214 1.1316 0.5928 0.6336 0.4732 0.0715 0.7472 1.9255 0.9671 0.4076 0.2990 1.0126 0.8620 1.1209 0.5665 1.0165 1.0201 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0.7436 0.6878 0.4651 0.9210 0.6728 1.0315 1.0585 0.6416 0.8005 1.0005 0.7267 0.6034 1.0935 1.1239 0.6633 0.8651 1.1692 0.5389 0.9453 0.7854 0.8025 0.7573 0.5190 1.0475 0.4728 0.9995 0.8876 0.8024 0.9046 0.9639 1.0706 0.8054 0.7240 2.1537 0.5007 0.8294 0.8695 0.9624 0.6109 0.5339 1.3017 0.7326 0.8122 0.2917 1.5062 0.4091 0.6172 0.6278 1.1653 3.4748 1.1552 0.6214 1.6597 2.3091 0.8886 0.8172 3.2242 0.5658 0.8323 0.7043 0.8356 0.4604 1.6881 0.9088 1.2349 0.8517 1.1069 1.9340 1.5097 0.7525 1.1052 4.2196 1.5913 1.7026 1.9146 1.6648 0.5870 0.9900 0.9572 1.5181 2.2842 1.5939 1.0453 1.3932 1.1045 1.1865 1.5844 0.8061 5.5761 3.5084 1.2916 1.0053 1.9215 0.8104 1.3384 3.6631 1.3151 1.3567 1.2062 1.0427 1.1167 1.1785 1.8538 2.3086 1.9948 1.8965 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 1.1961 1.2833 1.2365 1.0903 1.2828 0.6582 1.0026 1.1066 0.8573 0.8780 1.2183 1.0234 1.4222 0.7695 0.8241 0.7574 1.2534 0.7813 1.3584 1.3016 1.0391 1.0216 0.9662 1.0447 0.8552 0.9851 0.9397 0.6908 1.2056 0.8636 1.4174 0.6616 0.9158 0.9786 0.7669 0.8107 0.7175 1.3635 0.8112 0.9272 1.3185 0.9630 0.6477 1.0465 1.0002 0.9312 0.7940 1.1705 1.0299 0.9417 1.1433 1.0057 1.4086 1.1016 0.7828 0.7126 1.3697 0.5331 1.2092 1.5221 1.2221 1.1600 0.9275 0.9416 0.7448 0.9486 0.8360 1.7370 0.9396 0.8633 1.1767 1.0771 1.1159 1.0542 0.7485 1.4431 0.7331 0.8556 0.7674 0.9654 1.0205 1.1021 1.0222 0.9470 1.0528 1.6775 1.8344 0.7839 0.9519 1.0201 0.6733 0.8195 0.9163 0.7516 0.8775 0.6899 0.7393 1.0298 1.0207 1.1294 1.0061 0.9998 0.9226 1.2142 1.2009 1.7322 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 0.8911 0.9687 0.7335 1.1006 1.0350 0.6956 0.9623 1.1438 0.8127 0.9923 1.0708 0.8449 2.3204 1.3137 1.0260 1.0046 1.0871 0.6184 1.8334 1.4796 0.9766 1.3086 0.8637 1.4780 0.9560 0.9702 0.9426 1.0060 1.1654 0.7795 1.1898 1.2845 1.5890 1.3988 0.8220 1.1774 0.9645 1.0906 0.8442 0.9061 1.0622 1.0995 1.0968 0.6654 1.3148 0.8862 1.2068 0.7030 1.1522 0.7407 1.0651 0.9641 1.1717 1.6413 0.8475 0.7239 1.2486 0.7634 0.9804 1.1434 1.2142 0.8083 0.9030 1.1417 1.1639 0.8129 0.8076 1.4707 0.8114 0.8583 1.0483 1.0272 0.9338 1.7205 1.1719 1.1450 0.6525 0.5292 0.9360 1.0389 1.1566 0.9987 1.0169 1.1826 1.2002 1.1518 1.5827 0.9306 0.9565 1.2994 0.8169 0.7439 0.9891 0.7758 1.0013 0.6397 0.8227 1.1303 0.7991 0.9387 0.9610 0.6828 0.8548 1.4747 0.9910 1.5100 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1.3570 1.0404 1.3897 1.0294 1.6200 0.8783 1.0180 0.7138 1.0776 1.2982 1.8311 1.0518 1.8099 0.7563 1.0361 1.0011 1.3596 0.9336 0.8746 1.4379 1.0893 0.8007 0.9989 1.0679 0.8933 0.8386 1.0632 0.8660 1.5560 0.7415 1.6659 0.6080 1.0548 0.9014 0.5433 0.7699 1.2490 1.3255 0.8535 0.7777 1.3245 0.7916 0.7832 1.0414 0.6858 0.6851 1.0843 1.2731 1.1673 0.6955 0.7971 1.1370 1.3386 1.1490 0.5556 0.8472 0.7887 0.5572 1.2839 0.9459 1.6807 0.8838 0.7955 0.9836 0.8733 1.3670 0.7188 1.1964 1.0076 0.6146 0.8173 0.9411 1.3255 0.7315 0.7233 1.5518 0.6158 1.2507 0.8234 1.2142 1.1940 1.2479 1.3188 0.8850 0.9299 1.7748 0.9744 0.6816 0.4169 0.7806 0.9177 0.8152 0.5458 0.5919 0.6654 0.7873 1.0489 1.6231 1.1302 2.5019 1.1872 0.9954 1.6750 1.7182 1.7637 2.6560 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 0.8425 1.0597 1.1900 1.2763 1.0658 0.7424 1.1041 1.0052 0.9247 1.1468 1.8042 1.1540 2.3669 1.1981 1.1065 0.9403 1.8266 0.8754 1.4544 1.2400 0.8424 0.7407 0.9445 1.3964 0.7985 0.8672 1.1941 1.1079 1.9042 0.8201 1.6681 0.8373 1.2015 1.1377 0.8932 0.5789 1.1380 0.8415 1.0138 0.8908 1.0794 0.8776 0.7698 0.8226 0.5112 0.6177 1.1355 0.6888 1.1730 0.6208 0.8244 0.4959 0.9475 1.0896 0.7197 0.6973 0.7437 0.7430 1.0271 0.9130 1.3236 0.7468 0.8313 0.7552 1.2145 1.0604 0.5970 1.0699 0.8162 0.9087 1.0173 0.9948 1.3869 1.9436 1.2258 0.9133 0.4584 0.7388 1.2533 0.9425 1.1441 1.1445 1.3302 1.2574 1.1220 1.7129 0.5353 0.6077 0.4122 1.3698 0.7012 0.8314 0.6671 1.1848 0.9472 0.4747 1.4981 1.1612 0.8288 1.3405 1.1454 0.7725 0.9397 1.0472 1.3888 1.5605 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1.2165 1.1589 1.1436 0.9977 1.8069 0.9144 1.0264 0.7245 1.0189 1.7038 1.5496 1.1285 0.8561 0.9881 1.1265 0.9230 1.5245 1.0761 0.7599 1.5082 1.1112 0.9730 0.8843 0.9372 0.8152 0.8524 1.0397 0.9879 1.6430 0.8941 1.9494 0.7630 1.1014 1.1038 0.6263 0.8911 0.7196 1.3288 1.0282 0.8113 1.5162 0.8921 0.7947 1.1651 1.2345 0.8191 0.8391 1.5198 1.1773 0.6794 0.8957 2.1218 1.5768 1.0958 0.7086 0.7751 0.7531 1.0017 1.4431 0.8725 1.2706 0.7388 0.8715 0.9983 1.0490 1.2401 0.6795 0.9343 0.9680 0.7143 0.8753 1.0192 1.7631 0.7421 0.5640 1.7418 0.7571 1.4399 0.6745 1.5253 1.0374 1.7339 1.3641 0.9975 0.6440 1.1998 0.9876 0.8358 0.5475 0.8918 1.3454 0.6681 0.5849 0.6433 0.6450 0.8567 0.7554 1.4625 1.2776 1.7540 1.0737 1.1823 1.7822 1.9299 2.0480 2.2518 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 0.7831 0.7484 0.8166 0.9866 1.1070 0.9107 1.3712 1.0832 1.0907 0.9340 1.1638 0.9907 2.2017 1.3039 0.9208 0.7950 1.5699 0.6046 1.2883 0.9866 1.0404 1.0712 0.8916 1.5239 0.9050 0.8592 0.9850 0.8929 1.6071 1.0728 1.1005 1.0429 1.0930 0.9616 0.7856 0.7397 1.2111 0.9352 0.7536 0.6752 1.0188 0.7867 0.9564 0.7465 1.0626 0.9174 1.3108 0.7144 0.9179 0.5711 0.8777 0.9762 1.1143 1.2494 0.7994 0.6874 0.7766 0.9972 1.2928 1.1895 0.9822 0.7835 0.9863 1.0271 1.4707 0.7812 0.7057 1.4898 1.0028 0.7556 1.0751 1.2679 1.4742 2.0230 1.3816 1.0982 0.7742 0.7348 0.8311 1.1666 1.0526 1.6125 1.1687 1.1121 1.1352 1.1407 1.0618 0.9058 0.9427 1.4917 0.8392 0.7354 0.8153 0.9427 1.0575 0.6355 1.0583 1.2564 0.6956 1.0544 1.0199 0.6839 1.0335 1.4478 1.1870 1.5470 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 1.4015 1.6421 1.1105 0.8839 2.6163 0.7474 1.0013 0.7322 0.8989 1.6547 1.9522 1.2609 0.7022 1.0113 0.9253 0.9509 1.6439 1.2374 0.9287 1.8442 1.1695 1.3392 1.0883 0.8871 0.7784 1.3009 0.9129 0.9894 1.4122 1.0117 2.2469 0.7758 0.7375 1.0425 0.4186 0.8817 0.7299 1.1662 0.8511 1.0620 1.4032 1.0482 0.7800 1.3148 1.9579 1.0498 0.7758 1.9655 1.0840 0.8358 0.9846 3.3242 1.4381 1.0850 0.8376 0.6659 0.8289 0.6635 1.4059 1.0205 1.2181 0.7655 1.1243 0.8580 0.9258 0.8536 0.8364 0.9189 1.0146 0.8585 0.8734 0.6164 1.4384 0.6804 0.4144 1.6301 0.6171 1.3271 0.6926 1.6248 0.9070 1.6145 1.2099 0.9387 0.4661 0.9987 1.0222 0.8844 0.4844 0.7183 1.3337 0.5790 0.7013 0.9277 0.6801 0.9151 0.7691 1.2391 1.1291 1.4602 0.9503 1.0077 1.3285 1.1109 2.0635 1.5287 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 1.2938 1.6110 1.1148 0.7493 1.6984 0.9250 0.9367 0.7827 1.0279 1.2659 1.3601 1.3244 1.0607 0.8136 1.0291 0.7731 1.5023 1.0654 0.9310 1.4243 1.0238 0.9009 0.8781 0.8746 0.7102 0.9289 1.1517 0.8555 1.3167 0.8752 1.6582 0.8459 0.9881 1.1847 0.6403 0.8646 0.7511 1.2913 0.8046 1.0743 1.2538 0.9464 0.9115 1.2880 1.3742 0.7773 0.9098 1.6996 1.3707 0.8201 1.0728 1.8326 1.2336 1.0944 0.6706 0.6810 0.7526 0.9010 1.1263 0.8690 1.1923 0.9299 1.1547 0.9983 0.9486 1.2664 0.6592 0.8479 0.9246 0.7151 1.0792 1.0258 1.9009 0.8465 0.6473 2.0887 0.7738 1.2399 0.5936 1.2669 0.9935 1.3903 1.4928 0.8788 0.7350 1.1023 1.1087 0.7786 0.5304 0.9844 1.1177 0.7721 0.6147 0.8691 0.8386 0.8437 0.8945 1.6959 1.1639 1.5456 1.0017 1.1509 1.6338 1.3343 2.0140 1.8966 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 1.3008 1.1651 0.9564 0.6691 0.5849 1.5198 1.1830 1.0191 1.2608 0.8327 0.3937 1.2397 0.6401 0.6175 1.2069 0.9275 1.3873 1.3792 0.9852 0.9006 0.5276 0.5057 0.7570 0.7617 0.4715 1.1168 1.6077 1.0148 1.4455 1.0179 1.4276 0.9522 0.3252 0.9823 0.7924 0.6730 0.9627 1.2297 0.7868 0.7478 2.1046 1.0870 0.6140 0.4672 1.2004 0.5730 0.5736 1.1344 1.1374 1.1335 1.0409 0.5306 1.4696 1.2775 0.4579 1.1599 0.7693 0.6051 0.8020 0.6516 1.1235 0.7603 0.4278 0.8115 0.9121 1.3533 0.6918 0.6461 1.2865 0.8176 0.8858 3.8004 1.4669 0.7507 0.7806 1.4544 0.8151 1.5495 0.9102 1.0632 1.6089 1.3608 1.3548 1.0643 0.8393 1.3815 0.9846 0.5618 2.3302 2.9624 0.4327 1.0818 0.5668 0.6196 0.5455 0.6397 1.3214 1.5177 1.3155 1.5503 1.4277 1.5481 2.5425 1.4728 2.2365 2.5843 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1.3230 2.5327 1.8719 4.9627 3.6066 0.7078 1.1797 3.1518 0.5036 2.5235 2.8570 1.1367 3.1905 0.5713 2.6259 1.2571 0.5261 1.1979 1.7819 0.7621 0.7447 2.5985 1.1434 2.1343 1.4905 3.7142 0.6522 2.3962 0.8258 0.3655 3.9036 3.0401 1.1257 0.5915 0.3991 1.6930 0.8968 0.6153 1.9836 0.6028 1.2622 2.2145 1.0033 0.2968 0.7466 1.6206 0.8473 1.2559 0.5408 0.4346 0.5113 0.8643 0.6881 0.6299 1.5979 0.3525 0.4609 0.3452 1.0252 1.9784 0.4329 0.4914 0.7626 0.5468 2.4625 1.1226 0.6171 1.9690 0.6980 0.5107 0.4892 0.9045 0.9186 1.0782 1.0564 1.9296 0.5229 0.7665 1.8146 1.1184 0.8942 0.7098 1.4363 0.9421 0.7008 0.9862 1.3470 0.7509 0.8171 1.2889 0.6851 0.6228 0.9624 1.0759 0.6312 0.4584 0.6377 1.0142 1.3484 1.0343 0.4409 1.4654 1.2163 1.4588 1.6098 0.9967 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 0.8018 0.9137 0.7133 0.8114 0.8198 0.7203 1.2218 0.9419 0.8361 0.8172 1.0964 0.7065 1.7942 1.4665 0.9982 0.9357 1.0270 0.5471 1.5263 1.0525 1.0812 1.0513 0.6799 1.2925 0.9417 0.8684 0.7748 0.5664 1.0582 0.9165 1.0154 1.0228 1.4203 1.2444 0.7673 1.2687 0.8543 1.4643 0.9329 0.8679 1.2562 1.0126 0.8845 0.7659 1.5310 0.8156 1.0869 0.6512 1.0324 0.8264 1.0460 1.0798 1.3182 1.6998 0.9393 0.7736 1.6253 0.7109 1.0960 1.4276 1.0784 0.8885 0.9242 1.2008 1.0684 0.6650 0.8539 2.0286 1.0169 0.7831 1.0018 1.2227 1.1283 1.7633 1.0150 1.4890 0.7650 0.6483 0.7141 1.1211 1.1005 1.1733 0.9437 1.2777 1.1735 1.4925 1.7944 1.0434 1.4865 1.5380 0.8315 0.7732 0.9589 0.7433 0.8273 0.5409 0.6864 1.2854 0.7731 0.9871 0.8913 0.6941 0.8551 1.5317 0.9220 1.8506 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 0.7727 1.0431 1.0358 0.8173 1.2351 0.7799 1.2780 0.7000 1.1749 1.1949 1.6255 0.8717 1.9842 1.2642 1.0907 0.8568 1.6125 0.7057 1.1689 1.1225 0.9545 0.6708 0.7682 1.5196 0.5994 0.5748 0.9756 0.6935 1.6029 0.9496 1.3446 0.6469 1.1250 1.0174 0.5865 0.5080 1.2671 1.3765 0.9843 0.7518 1.2574 0.6762 0.7384 1.1963 0.7901 0.5482 1.3362 0.7644 1.0392 0.5257 1.0184 0.8651 1.1583 1.1869 0.7334 0.6323 0.6439 1.0157 1.1251 0.9783 0.9657 0.7820 1.0658 0.9611 1.0517 0.9175 0.6001 1.2624 0.9832 0.8218 0.9493 1.4438 1.7045 1.9667 1.2013 1.2059 0.6679 0.8499 0.8387 1.1007 1.1167 1.4166 1.1654 1.2092 1.2368 1.8619 0.7342 0.7590 0.5627 1.6805 0.8429 0.7790 0.6085 0.9165 0.8355 0.4379 1.5560 1.7369 0.8970 2.0008 1.1102 0.6803 1.2006 1.7188 1.4323 2.5193 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 0.7740 0.8938 0.7787 0.8547 1.0932 0.8399 1.2933 0.8801 1.1182 0.8154 1.3077 0.8321 2.1314 1.4009 0.9251 0.7097 1.7495 0.6411 1.1071 0.8550 0.9926 0.8836 0.7498 1.5847 0.7963 0.7746 0.7945 0.7198 1.2833 1.1913 1.0914 0.9431 1.1725 0.9541 0.7624 0.7085 1.0546 1.0485 1.0471 0.6296 1.2946 0.7632 0.9671 0.8737 1.3010 0.8248 1.3657 0.6122 0.8655 0.6786 0.8323 1.0737 1.0581 1.2261 0.7837 0.7004 0.9307 1.1968 1.3829 1.3282 0.9677 0.8158 1.1524 1.1332 1.2860 0.8077 0.6709 1.6845 0.9171 0.8041 1.1800 1.3258 1.8382 2.2229 1.2279 1.2395 0.9962 1.0038 0.7532 1.2320 1.1030 1.4972 1.1628 1.3101 1.2547 1.5605 1.0690 0.9286 1.0377 1.8891 0.9882 0.8433 0.6622 0.9096 0.9895 0.4997 1.0794 1.4688 0.7399 1.1291 0.9828 0.6822 1.1494 1.5025 1.2378 1.8321 1-(1-enyl-stearoyl)-GPE (P-18:0)* 0.9986 0.9417 0.4257 0.9967 0.8396 1.3965 0.9977 0.7792 0.9371 1.2469 0.7876 0.5841 1.0216 1.2195 0.6914 0.8347 1.0014 0.6736 0.7573 0.9066 0.8475 0.7647 0.4146 1.0843 0.8265 1.1018 1.0472 0.6084 0.7419 0.7937 0.9672 0.7992 0.8800 1.2207 0.6059 1.0340 0.7077 1.0506 0.6257 0.5189 1.5804 0.7489 0.8924 0.6290 2.4056 0.5806 0.8450 0.6089 1.1521 0.9275 1.2400 0.7130 1.5272 2.8357 0.7447 0.8779 1.3918 0.7243 0.8554 0.8166 0.6949 0.6758 1.5769 1.1880 0.9630 1.0452 0.9151 2.0081 1.1908 0.8737 0.9300 4.0334 1.4815 1.5076 1.3875 2.4412 0.8965 1.0146 0.9588 1.5702 2.5635 1.3123 1.0374 1.6620 1.2040 1.3102 2.1003 0.9513 5.3555 3.4349 1.0618 1.3399 1.0883 0.8387 1.2617 0.7794 1.4212 1.4933 2.0152 1.4920 1.3653 1.2322 2.1654 2.5635 1.5899 1.3843 1-arachidonoyl-GPC (20:4n6)* 0.8693 1.1648 0.5621 2.0093 1.0014 1.0950 1.3717 1.0128 1.2384 0.9504 0.9856 0.9986 0.7999 0.7429 0.7703 0.7887 0.7864 0.8076 0.7017 0.8413 1.0167 0.9966 0.6141 0.8703 0.8844 0.8965 0.9078 0.7076 0.6427 1.3279 0.9333 0.9070 0.7813 1.1266 0.9237 1.2657 0.6544 1.4020 0.8850 0.7140 1.3317 1.0023 0.5011 0.6284 2.4118 1.4596 0.8157 0.8019 1.0261 0.9447 1.7297 0.8165 2.2093 2.6885 1.0616 0.7253 2.1795 0.8006 0.9764 1.5119 0.8739 1.1949 1.0550 1.2046 0.8210 0.7520 0.9946 1.4909 1.1062 0.7542 1.4636 4.0938 1.0473 0.9459 0.6084 2.1081 1.0198 1.0400 1.0249 1.1897 1.9154 1.9162 1.0713 1.3605 0.6481 1.0444 1.3763 0.7960 5.9258 3.6192 0.6001 1.5539 0.9766 0.6427 1.0838 0.7536 1.1703 0.6991 1.3693 1.0882 2.0349 1.2982 1.0510 0.9883 0.8179 1.4700 1-arachidonoyl-GPE (20:4n6)* 0.8959 1.3428 0.9289 1.7788 1.4536 0.7485 0.8023 1.2729 1.1151 0.9538 1.0579 0.9497 1.6971 0.8649 1.1834 1.1871 0.5586 1.0319 1.1511 0.7849 1.0233 1.2780 1.0339 1.5254 0.8922 0.9811 0.7169 0.6758 1.0058 1.1602 1.1595 1.0359 0.8546 1.0549 0.6520 1.4902 0.9498 1.1566 0.8832 0.7190 0.8687 1.2781 0.6176 0.7530 1.7309 1.6343 1.0461 0.7325 0.8808 0.6322 0.7063 1.3030 1.3864 0.9737 1.5191 0.7999 0.9988 0.8656 1.1386 1.5246 0.8046 0.6977 0.7721 0.9112 1.0783 0.7237 0.9361 1.5702 0.7352 0.9175 1.3681 1.1305 1.2685 1.1452 0.8642 1.6962 1.1594 0.9079 0.8653 1.0030 1.0601 1.4363 0.9981 1.0153 0.6922 0.8281 1.1385 1.0012 1.6112 1.9927 0.6147 0.8279 1.0080 0.8847 0.8057 0.7972 1.0805 0.7904 0.7435 0.7200 1.4073 1.1890 0.6893 1.1210 0.7695 1.1974 1-arachidonoyl-GPI (20:4)* 1.0721 0.7126 0.8011 0.5944 0.7044 1.2330 1.2792 0.6023 1.1151 0.9928 0.5673 0.7900 1.1102 0.7941 0.9427 0.9708 1.0551 1.0166 0.6254 0.7524 0.7893 0.9607 0.7438 0.8441 0.8500 0.8888 1.4314 0.7399 0.7389 1.2575 1.1758 1.0558 0.7091 0.9133 1.1199 0.9003 0.9704 1.2061 1.2414 0.6769 1.7646 1.2184 0.7209 0.4435 2.1660 0.9544 0.9357 1.0530 1.0043 1.3531 1.4826 0.9055 1.3577 2.3147 0.8887 0.8279 1.3048 1.5650 0.9957 1.0058 1.1220 0.9486 1.0552 0.9910 1.0385 0.7525 0.6881 0.9552 1.4342 0.4022 0.7627 3.8948 0.9346 0.7361 1.0071 1.1270 1.0902 0.9080 1.1126 1.1225 1.1243 1.5206 1.2465 1.9109 0.6088 0.9740 1.4608 1.4177 2.1227 2.6686 0.5573 1.7440 0.7272 0.7055 1.0097 1.0787 1.1275 0.9726 0.9564 0.8531 1.4476 1.1090 1.0100 1.2717 0.7962 1.6643 1-arachidonylglycerol (20:4) 0.5672 0.9083 0.3562 1.3899 1.6372 1.9140 1.0874 0.3204 1.6214 1.7246 0.6242 0.4703 0.7412 0.5459 0.5869 0.4273 0.7658 0.4670 0.2062 0.4261 1.2602 1.7744 0.3850 1.2624 0.9518 0.4509 0.6930 0.6378 0.4407 1.1379 0.7688 0.7832 1.3378 1.5924 0.5269 1.2418 0.4446 1.0837 0.7958 0.5890 1.0234 0.8214 0.7851 0.6949 2.3061 1.3283 1.0995 1.0340 1.7291 1.6568 1.0351 1.1151 2.7399 2.1110 2.1042 0.4273 3.9425 0.7299 1.4382 1.9971 0.4920 1.1697 1.6549 0.8634 0.6996 0.3247 1.4690 1.2824 1.8927 0.2177 0.6334 10.5775 0.7780 1.1170 0.4323 3.0622 1.2692 0.6230 1.4901 3.0555 1.2096 1.2776 1.0345 1.2204 0.2640 0.8159 0.9331 0.7736 3.9751 4.1009 1.2619 1.3251 0.9573 0.6756 1.1927 1.4450 1.2197 0.5361 0.7281 0.9766 0.7337 0.4777 0.7399 1.5921 0.3878 1.3109 1-carboxyethylisoleucine 0.5934 0.7402 1.4518 1.6271 0.4633 0.9785 0.8685 2.1243 1.2898 0.8669 1.7119 0.6644 5.8492 2.3889 2.2814 1.1630 0.9768 1.1412 2.1539 0.3183 1.7584 0.8889 1.4254 1.9359 1.6257 1.5549 1.2097 0.1534 0.6106 2.1476 0.6443 0.9291 4.2343 1.6660 3.1562 2.9570 1.1396 0.4271 2.0859 0.4300 0.1534 4.3374 1.8136 0.9257 1.6929 3.3542 2.4564 0.2881 0.5800 2.9460 0.4300 5.7150 0.1731 0.9133 3.4519 1.5548 0.8233 4.7889 3.5070 3.3780 1.2046 1.1850 0.7467 0.7078 2.1292 0.8802 0.7928 2.8329 0.7920 2.2766 2.5987 0.9500 2.2924 0.5272 0.9609 1.0215 0.9081 1.1311 1.4213 0.1534 0.5126 0.5483 0.6285 1.3157 1.2602 0.1534 0.5137 0.6959 0.5250 4.3762 0.9663 1.8039 0.4520 0.7633 1.2076 0.4053 0.6711 0.2872 0.3532 0.3865 0.3045 0.2566 0.1549 0.1534 0.3820 0.5113 1-carboxyethylleucine 0.7552 0.7564 1.0080 1.0919 0.9433 0.9261 0.4956 1.2232 0.9531 0.7362 1.4919 0.5354 4.9398 2.2144 1.8143 0.8177 0.8532 1.1290 1.3696 0.4902 1.5132 0.9099 1.2819 1.3294 1.6414 1.0841 1.1484 0.3856 0.6102 1.7224 0.5572 1.2003 5.8675 1.1139 2.1651 3.4882 0.9920 0.5350 1.7545 0.5659 0.1485 2.3301 1.7035 0.8333 1.2315 3.0894 1.8056 0.1485 0.5721 1.8857 0.5945 6.8631 0.2763 0.8716 2.4602 1.1763 0.6990 4.4961 2.5556 2.0199 0.9740 1.1259 1.0684 0.6028 1.3374 0.7481 1.1956 2.0790 0.6808 1.5802 1.9843 0.9133 1.8323 0.8642 1.2974 1.0199 1.2275 0.9242 1.1819 0.2337 0.5399 0.7260 0.6555 1.0199 1.0705 0.1485 0.8014 0.6899 0.4769 3.2793 1.1756 1.5680 0.8144 0.9240 1.0119 0.5128 0.6655 0.4414 0.2643 0.3915 0.2627 0.2338 0.4479 0.3066 0.3549 0.5691 1-carboxyethylphenylalanine 0.6639 0.7904 1.3380 1.2858 0.4821 0.9650 0.7732 1.3797 1.0052 1.1202 2.1885 0.5622 4.5347 3.0000 2.6344 1.0030 1.3210 0.9970 1.8889 0.5322 1.8619 1.0763 1.4956 2.1877 2.0998 1.3303 1.2388 0.3080 0.5731 1.5369 0.8124 0.9854 6.1813 1.9153 2.9834 2.5795 1.2041 0.8190 2.3830 0.5045 0.2390 3.0634 1.8903 1.0921 1.2751 3.0733 2.1301 0.4082 0.6146 2.4459 0.5315 3.4257 0.2803 0.7834 3.3311 1.4824 1.0032 5.2038 3.2651 2.5036 0.6011 1.0666 0.7078 0.6891 1.6680 0.5447 1.0902 2.2643 0.7892 1.5732 1.9099 0.8861 2.2273 0.3439 1.0887 1.0527 0.5830 0.7446 1.1072 0.3348 0.5933 0.6104 0.6441 1.1639 0.9873 0.3274 0.5352 0.6622 0.5023 3.0576 0.7406 1.5723 0.5619 0.8757 0.8662 0.5421 0.6506 0.3243 0.4056 0.4351 0.3314 0.3116 0.3374 0.2385 0.4657 0.5182 1-carboxyethyltyrosine 0.6223 0.4804 0.9448 0.9814 0.5102 1.0902 0.6214 1.1103 0.8681 0.9752 1.3515 0.5952 3.9806 2.4479 1.9235 0.6629 1.7773 0.7039 1.6523 0.5279 1.8810 0.8239 1.6449 1.7993 1.8007 1.3405 1.1928 0.2433 0.3605 2.2888 0.7702 0.9172 5.6153 1.9456 2.7999 2.5299 1.2141 0.5253 2.1793 0.4388 0.2433 2.6651 1.8861 0.9457 1.1143 2.9187 2.1968 0.2433 0.2779 2.4005 0.2433 3.8888 0.2433 0.4896 3.3874 1.6008 0.8630 4.1953 3.1703 1.8928 0.5442 0.9831 0.5356 0.2433 1.6051 0.5264 0.7266 1.9033 0.6416 1.6669 1.4524 0.7636 1.8114 0.2433 0.7332 0.8732 0.4244 1.0557 1.0952 0.2433 0.2433 0.2433 0.3235 1.0000 0.8967 0.2433 0.2433 0.2433 0.2433 2.5469 0.5728 1.3446 0.4173 0.6184 0.8128 0.2433 0.4465 0.2433 0.2433 0.4028 0.2433 0.2433 0.2433 0.2433 0.3036 0.2433 1-carboxyethylvaline 0.6400 0.8879 1.2038 1.4857 0.8047 0.9427 0.9044 1.4798 1.2211 0.7765 1.4259 0.6335 5.3087 2.5122 2.0221 0.9995 0.9242 1.1425 1.6825 0.4210 1.6334 0.7838 1.2875 1.8003 1.5753 1.3543 1.1573 0.3342 0.5407 1.7597 0.6338 0.9848 5.0365 1.3534 2.3763 2.7538 1.1135 0.5910 1.8906 0.3854 0.1503 4.6058 1.6957 0.9405 1.5127 3.0225 2.0953 0.3242 0.6726 2.4118 0.5613 4.9804 0.3501 0.8396 3.3708 1.2308 0.6852 4.2563 2.7042 2.2889 0.7011 1.0005 0.9256 0.6124 2.2740 0.8288 1.0779 2.5986 0.8174 2.1868 2.0869 0.8778 1.9782 0.4836 1.0983 1.1380 0.9903 1.0512 1.4610 0.2223 0.6624 0.6020 0.5718 1.3548 1.0122 0.2606 0.6939 0.7606 0.5015 3.5116 1.0387 1.6777 0.5723 1.0204 1.0380 0.4767 0.6670 0.2051 0.4300 0.3248 0.2755 0.1926 0.2603 0.2852 0.4155 0.4851 1-dihomo-linolenylglycerol (20:3) 0.6251 0.2786 0.5789 0.1921 1.1557 2.0074 1.1927 0.1921 1.5194 1.8175 0.1921 0.6373 0.5423 0.1921 1.4340 0.9318 1.2565 0.6729 0.1921 0.1921 0.1921 1.2593 0.4726 1.3300 0.2957 0.7282 1.4703 0.8908 1.0000 2.2315 0.9968 1.6445 0.8375 0.9043 0.4812 0.4003 0.9196 0.8406 0.8947 0.2390 1.7791 1.1292 0.4173 0.5200 1.6211 0.8692 0.7867 1.2669 1.5774 1.5328 2.3824 0.6075 1.9897 1.0998 1.5254 0.6530 1.4878 1.5025 0.1921 1.3228 0.3866 0.5507 1.6932 0.5207 1.0529 0.1921 0.8214 0.1921 2.1425 0.1921 0.5965 12.5410 1.6737 0.6257 1.1674 2.1094 0.8873 0.1921 1.2909 2.4143 0.8184 1.4200 1.5355 1.1738 0.1921 0.6406 0.5131 0.8836 2.0044 6.0807 1.2588 1.2908 0.1921 0.4570 0.8927 1.6823 1.4652 0.6356 0.1921 0.7682 0.1921 0.7436 0.6067 1.3636 0.5301 1.4907 1-docosahexaenoylglycerol (22:6) 0.3849 1.3532 0.1679 0.9765 1.5320 3.1534 1.4989 0.1679 1.6828 1.5722 0.8037 0.4698 0.8007 0.1679 1.0190 0.2573 0.8089 0.2948 0.1679 0.3686 0.8317 1.4899 0.3175 0.8008 0.9161 0.7532 0.9559 1.9332 0.3926 0.5894 1.3935 1.8008 0.8592 1.3735 0.4510 1.1104 0.1679 0.6517 1.3815 0.4643 2.5510 1.2477 1.5526 0.9535 2.2110 0.7836 0.7909 1.9178 2.3125 2.1120 0.9705 1.2232 2.3964 1.6989 1.9651 0.5544 2.3296 1.8625 0.7863 1.2881 0.5848 0.6042 2.6751 0.7430 0.8078 0.9440 1.1592 0.4145 1.8776 0.1679 1.6146 12.4795 0.5151 0.9172 0.4666 2.1656 1.4681 1.0561 2.1445 2.8320 0.6945 0.5977 1.5212 1.6542 0.2206 0.5885 0.5632 1.0874 1.4853 3.9772 1.0977 1.3483 0.4306 0.6764 0.8880 1.4965 0.9325 1.0000 0.6940 1.1752 0.2732 0.9234 1.7399 2.1956 0.8526 1.6785 1-linolenoyl-GPC (18:3)* 1.1315 1.1982 1.3389 2.5149 3.1967 0.8111 1.3568 1.1266 1.0773 3.4713 2.0481 1.4726 2.1680 0.4532 3.5912 1.6202 0.4565 2.0026 0.6585 0.7245 0.7285 1.4906 1.1131 2.3327 1.4344 1.8089 1.0265 0.9414 1.0874 0.6338 1.8340 1.8280 0.8984 0.5433 0.3789 0.9756 1.2482 0.7652 1.2646 0.4943 1.0876 1.3525 1.1403 0.3558 0.5659 1.5844 1.2836 2.3885 0.6905 0.3288 0.3523 1.6841 1.0079 1.2024 2.1201 0.4441 0.4562 0.4752 1.0043 2.0966 0.8289 0.4556 0.5864 0.5716 1.1709 0.9136 0.5949 1.4281 0.6570 0.5492 0.7774 0.8861 0.8656 0.9747 0.8824 2.8925 1.0011 0.8896 0.6631 1.0172 0.9630 0.9989 2.0886 0.9540 0.6077 0.6197 0.4979 0.7988 0.3751 3.1046 0.4807 0.6173 0.6978 0.9599 0.5505 0.5465 1.1208 1.3800 1.6760 2.1144 0.9274 1.7236 1.1470 0.8659 1.3994 1.3661 1-linolenoylglycerol (18:3) 0.9882 0.5177 0.9257 0.7180 0.7885 1.2596 1.2284 0.6866 1.5222 0.9039 0.4604 0.5793 1.9890 0.2382 1.0708 1.8826 1.1400 1.4174 0.5958 0.3011 0.2382 0.6418 0.6345 0.8965 0.5754 0.6881 1.5743 0.9726 2.0814 0.5094 1.0218 0.9071 0.6418 1.2364 1.6599 0.5489 0.8998 1.6874 1.4546 0.8945 1.7138 1.4593 0.8365 0.4601 1.0929 0.4714 0.9408 1.0566 0.5665 1.6351 0.9887 0.2382 0.6559 0.9822 0.4596 1.8054 1.2123 1.4632 0.5250 0.3952 0.6448 0.2382 1.3710 0.4406 0.8485 1.5151 0.2382 0.6677 1.6858 0.3994 0.4240 6.5890 1.0113 1.2725 3.1124 0.9269 2.0949 1.3471 1.2005 0.3850 0.5955 1.2157 1.4898 1.1681 1.1497 1.1062 0.4251 1.3040 1.9168 11.3984 0.4219 1.4481 0.4445 1.2932 0.5001 1.7795 1.3857 1.6242 0.3830 0.7135 0.8751 1.6743 1.0596 1.4925 1.1374 1.1544 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 0.4993 0.1485 0.4844 0.8466 0.2877 1.3821 1.3144 0.2823 1.9107 1.3121 1.1618 0.8731 1.3023 0.6595 1.1606 1.0043 1.0576 0.1202 0.4750 1.2013 1.1108 0.3164 0.4118 1.2356 0.6077 0.4016 1.7570 0.4463 2.6385 1.3696 0.5347 0.3211 1.1422 1.2281 0.5184 0.3536 1.0991 1.5332 0.4969 0.5288 0.7593 0.2316 0.7333 0.6065 0.3334 0.9370 1.8010 1.1419 1.4106 0.3377 0.1202 0.1202 1.3131 1.9951 0.6221 0.7580 0.4672 0.9957 0.8598 0.5213 1.4749 0.4375 1.0500 1.1406 0.6585 1.3590 0.7605 0.8368 1.4255 0.1202 0.7582 2.0280 1.3591 1.4251 1.0623 2.6472 0.9383 0.6130 0.3437 1.2605 1.3119 1.1141 1.0871 1.2091 1.0812 1.3907 0.5208 0.8155 0.6045 2.9402 0.9780 0.8663 0.6751 0.3708 0.6481 0.8110 2.4574 3.2118 1.4004 3.2853 2.0424 0.1202 1.7971 1.6946 1.7596 3.2739 1-linoleoyl-GPA (18:2)* 1.2215 0.7201 1.3212 0.8969 1.3753 1.2877 1.0371 0.9675 0.6653 1.2381 0.5779 1.2730 0.8083 0.5287 1.2299 0.9493 1.2332 1.6399 1.0650 1.1213 0.6149 0.3829 1.0788 1.4455 1.1052 0.3829 1.2952 1.2159 0.4371 1.2943 1.6508 0.4783 0.4210 0.4832 0.7981 0.9978 1.3771 1.4383 1.0959 0.7511 0.9672 0.4399 1.0373 0.3829 0.3829 1.0551 0.9639 0.7813 0.8367 0.5421 0.5128 0.3829 0.9571 1.0000 0.7605 0.6605 0.3984 1.4850 0.6938 0.5244 1.1214 0.6476 1.4270 0.9285 1.8012 1.3789 0.4015 0.9077 0.8319 0.5166 0.9217 2.1959 1.0094 1.4473 1.5543 0.9158 1.3247 1.3378 0.6099 1.6681 0.8798 0.4696 0.8650 1.4506 0.7320 1.4621 0.3829 0.7051 1.4458 1.9141 0.9240 1.5585 1.2383 1.1126 0.8057 1.0512 1.5801 1.5747 1.5519 1.7695 0.7850 0.8311 1.5416 0.8996 1.4363 0.8999 1-linoleoyl-GPC (18:2) 1.1856 1.8371 1.6410 2.0307 2.1043 0.9502 1.1245 1.1720 0.9275 2.0956 2.0812 1.3894 2.2754 0.5362 1.6696 1.1002 0.5369 1.4799 1.0775 0.9815 1.0069 1.5176 1.0081 1.6597 1.0231 1.1670 0.9071 1.3419 0.8682 0.5871 1.6510 1.2598 1.0626 0.5698 0.4149 1.0852 1.3566 1.0210 1.3021 0.8221 0.9652 1.3381 0.8624 0.4767 0.5282 1.2231 1.2116 1.5527 0.6376 0.3956 0.5419 0.9931 0.9678 0.8785 1.4702 0.5192 0.3894 0.5311 1.2261 1.5381 0.7156 0.6755 0.5331 0.5548 1.5864 1.0641 0.6092 1.2695 0.5577 0.4853 0.6722 0.6939 0.8335 0.8796 0.7357 1.5714 0.7399 0.8627 1.2481 1.1248 0.9265 0.7247 1.2027 0.7779 0.6379 0.9780 0.6075 0.5350 0.5133 1.4141 0.5493 0.4107 0.7552 0.9191 0.4863 0.4536 1.0280 1.0854 1.5296 1.8572 0.8857 1.2905 1.1582 1.4250 1.4839 1.2816 1-linoleoyl-GPE (18:2)* 1.0095 1.1974 1.2402 2.5396 1.6254 1.4853 0.9803 0.8497 1.5002 1.5439 1.2287 0.8809 1.9943 0.8237 1.8042 1.4546 0.5143 1.7830 0.8401 0.9996 0.9582 0.8074 0.7486 1.7931 0.6610 0.8052 1.6054 0.8621 1.0927 0.9478 1.0038 0.6528 0.8774 1.3075 0.5292 0.9510 2.2036 1.3860 0.8080 0.7616 0.7260 1.0004 0.7765 0.8985 1.0430 0.9906 1.6986 0.9203 1.1288 0.4232 0.5743 1.1028 1.1218 1.0179 1.3637 0.8205 0.4144 0.9817 1.0592 1.1408 1.0491 0.5418 0.8395 0.8641 1.0290 0.9620 0.7697 1.1365 0.6172 0.8030 1.2996 1.2547 1.4981 1.1048 1.0280 2.0020 1.4246 1.0854 0.7004 0.9551 1.6383 1.2484 0.9340 0.8751 0.7741 0.7601 0.6552 0.7520 0.9368 2.6297 0.8486 0.8109 0.5627 0.5824 0.8797 0.8941 2.2559 1.0877 1.0854 2.5653 1.4683 0.9724 1.4208 1.4756 1.2436 1.6530 1-linoleoyl-GPG (18:2)* 1.6338 1.1937 1.4500 1.2254 0.9994 1.6526 1.3363 0.8893 1.1121 0.5089 1.2681 1.6544 1.6924 1.1248 1.9886 1.8141 0.7789 1.3085 1.3578 1.1044 0.9147 0.6957 0.6539 1.2204 0.5794 0.4132 1.0773 0.5526 1.1673 0.8730 0.9849 1.0134 1.0430 1.2208 0.7083 0.8743 1.1045 1.5737 1.2374 0.9375 1.0270 1.3163 0.7421 0.6459 1.4351 0.8428 1.1503 0.5683 0.8975 0.7717 1.2727 0.4132 0.4132 3.5336 0.8325 0.7168 0.8540 1.9065 1.0302 0.6092 0.6589 0.6653 0.9821 0.7373 0.9955 0.7759 0.6491 0.4132 1.0499 0.4132 1.1739 4.5655 1.6256 0.7221 0.5823 1.2886 1.3426 0.7412 0.7619 0.4132 1.3119 0.7117 0.6743 1.2707 0.5844 0.4691 1.1276 1.0006 0.4132 2.0195 0.4132 0.8065 0.6075 0.4132 1.1461 0.8857 1.3769 0.6740 0.7057 1.7272 1.9492 0.7013 1.5419 0.6279 0.6321 0.8051 1-linoleoyl-GPI (18:2)* 1.1424 0.7432 0.7997 1.3132 0.8685 1.2127 1.2975 0.4058 1.1428 1.4430 0.8866 0.6463 1.4949 0.9668 1.3305 1.0688 1.1265 1.2747 0.8028 1.2117 0.8430 0.8124 0.7012 0.9389 0.9079 0.9205 1.6472 0.8179 0.9407 0.8657 1.1458 1.0703 0.8063 0.8082 0.6957 0.5458 1.6571 1.3509 0.9746 0.9169 1.7485 0.7527 0.7921 0.5523 1.0434 0.5663 1.0416 1.3103 1.1044 0.8531 1.6189 1.1829 0.8928 2.7013 0.7391 0.7946 0.6768 1.6489 0.8421 0.6359 1.3143 0.7082 0.8788 0.7118 1.2553 1.1284 0.4683 0.8234 1.1976 0.4109 0.9070 4.8039 1.5615 1.2713 0.9694 1.3648 1.1746 1.0636 1.0021 1.2077 1.4525 1.2521 0.9979 2.0296 0.7877 0.9726 0.7643 1.0689 1.3460 2.5861 0.8714 1.7349 0.8339 0.9915 0.9261 0.8736 1.6584 1.2011 1.3518 2.7472 0.9745 0.9205 2.3057 1.3580 1.4401 1.7645 1-linoleoylglycerol (18:2) 0.6674 1.2809 0.5331 2.0631 1.3962 2.2614 0.6855 0.6320 1.2563 2.4673 0.9683 0.4418 2.0099 0.8830 1.1603 0.4461 0.7937 0.6814 0.3481 0.6251 1.1017 1.2010 0.3436 1.1488 0.9313 0.7686 1.1836 0.7076 0.5751 1.3245 0.6522 0.7903 1.4247 1.9821 0.4930 0.9366 0.5607 0.9574 0.9522 0.3889 1.6272 0.6477 0.9958 0.9491 1.4516 0.7429 1.5489 1.0680 1.9721 1.2045 1.4549 0.7566 1.5818 1.6942 1.7160 0.5957 2.1830 0.9025 0.8999 1.1041 0.3724 1.1176 3.0742 0.8840 0.8359 0.5123 1.0895 0.9488 1.4193 0.4219 0.7602 7.4096 1.1921 0.7865 1.3499 1.8741 1.0042 0.7898 1.3442 1.4228 1.3174 0.6408 0.5712 1.1291 0.4401 0.9376 0.9286 0.4330 3.0115 3.8421 1.0596 1.3936 1.3807 0.9626 1.3182 1.6469 1.8067 1.0091 1.1755 1.5340 0.7996 0.3886 0.6086 1.3965 0.4544 1.1693 1-methyl-4-imidazoleacetate 1.2968 2.7277 1.7327 0.7407 0.8281 0.6386 0.8200 0.6607 1.0150 4.9180 0.9106 1.1935 2.3187 1.1667 1.4286 1.0446 1.2841 1.1300 2.9680 0.7470 0.7474 0.8514 0.9850 2.7303 0.5810 1.1604 3.5082 1.3105 2.0482 2.3866 0.8641 0.7688 0.8112 1.9358 1.2679 1.1745 0.7418 1.9142 0.8321 1.2011 0.5593 0.8131 0.9629 0.8347 1.0418 1.5830 0.8241 1.7304 1.0694 1.4600 0.6383 1.8791 1.3292 0.8693 1.0580 1.3039 0.7627 1.0788 0.8706 1.2799 0.7790 0.6169 2.2515 0.7193 0.8695 2.3887 0.9090 1.3524 1.0345 1.4248 0.7481 1.0717 1.9686 0.6708 0.6224 0.9080 0.6802 0.8573 2.0839 0.6765 0.8126 0.4623 1.1316 1.2831 1.3631 0.5230 0.7826 0.5376 0.7493 2.8046 1.2326 1.1663 0.7959 0.9603 0.7793 0.9343 0.8478 0.8117 1.7879 1.1953 1.0243 0.6967 0.7561 0.5645 1.3534 0.7754 1-methyl-5-imidazoleacetate 1.0307 11.5910 0.5997 1.2321 0.1628 0.2482 0.7681 0.4322 1.3294 1.4255 2.7199 0.5294 3.9038 0.1906 1.8438 0.7719 1.7255 0.9828 1.2017 3.5287 0.3711 0.7323 2.8839 1.9483 1.0000 1.5176 1.7721 2.4252 1.3530 0.4852 2.6540 2.0599 1.4858 6.9079 0.6067 0.2435 1.1109 3.3812 0.8602 2.1725 0.3408 2.6863 0.9260 0.2507 0.8896 1.7448 0.2973 2.9924 1.3693 2.1335 1.0692 1.0099 2.5973 0.8638 1.0344 0.3307 0.1931 1.7486 0.4124 0.9452 1.6540 2.4345 0.6052 0.5097 5.3430 4.4597 0.7934 2.5662 1.7799 4.1747 1.2356 1.9188 0.4547 1.1830 0.1124 0.6315 0.2766 0.7786 2.2191 0.5329 0.3026 0.1957 1.9707 0.4677 0.3423 0.6324 0.5525 0.2516 0.8797 2.5810 2.5630 0.7592 1.6804 0.2315 0.2469 0.5140 0.8075 0.1124 1.3284 0.9170 2.2652 0.3421 0.7560 0.9201 1.4560 0.5682 1-methylhistidine 0.6672 4.0457 0.8386 0.3729 0.7047 1.0576 1.2084 0.6680 0.3804 0.8684 1.2177 0.7683 0.6133 0.8801 1.0670 1.0935 2.2268 0.7642 0.1553 0.9670 0.8067 0.4833 0.1553 1.3422 0.9826 0.8984 0.7502 0.9585 1.2414 0.6188 0.1553 0.6690 1.5817 3.5895 1.1788 0.3863 0.5912 1.0411 1.1299 0.1553 0.8895 0.6981 1.1141 0.8282 1.2151 1.1698 0.6585 1.0136 1.0195 1.0141 1.0273 0.6198 2.7060 1.1052 1.1688 0.9970 0.7155 1.7346 0.9830 2.4374 0.9757 1.3154 0.4714 0.8276 0.1553 0.4459 1.2085 4.1186 2.0062 1.3760 1.6555 1.5485 1.4274 0.3026 0.6763 1.3878 0.7454 2.0613 0.8343 0.6787 0.7864 1.1146 0.4371 1.9500 0.5484 0.9860 1.0398 0.4154 1.2021 1.9979 1.3690 1.7492 1.2219 0.7862 0.9712 0.8786 0.9687 1.2162 1.0367 1.0030 1.9268 0.3674 1.0953 0.8107 1.6851 1.7622 1-methylnicotinamide 0.7169 1.6042 0.6993 0.2353 1.3111 0.5876 1.1209 0.4398 1.3881 0.5222 0.6465 0.8581 0.5086 1.1092 0.8195 0.4954 0.7722 0.6331 1.0377 0.8903 0.5470 0.3829 1.0157 0.3253 0.6779 1.4201 12.2506 0.9948 11.8789 0.3180 0.2812 1.7835 0.6154 0.9097 0.7693 0.4438 0.2302 1.8031 0.9505 1.3084 1.2529 0.4907 1.9885 0.7388 1.6843 0.6586 0.6700 1.2217 0.6724 0.8924 2.1645 2.2563 1.0072 2.0750 0.5452 0.5347 0.5547 1.7400 0.5355 0.4764 1.3962 2.1288 0.7110 2.2171 0.5187 1.8014 1.3438 0.6898 1.5502 1.0052 0.8406 2.0338 1.5355 0.3478 1.6538 3.0119 0.9135 1.6443 0.9727 0.3842 0.5406 0.9817 3.3000 1.6680 0.7791 1.6696 0.9578 0.6777 1.4898 1.0483 1.1444 1.7891 1.4100 0.6201 1.7612 1.2566 2.3456 1.5110 1.5155 1.4974 2.3002 0.6088 2.1368 1.2987 1.1885 1.9662 1-methylurate 1.7366 1.9979 2.8810 0.0653 0.6899 0.6413 0.7517 0.1772 0.8404 1.0939 2.8934 1.0775 1.4844 2.1255 1.2212 1.8883 0.6269 1.0000 1.2579 1.1321 0.4517 0.5309 2.3591 1.2450 0.6127 1.7040 0.8553 2.2057 0.4879 0.8830 1.0752 0.4418 1.3560 0.9017 1.2836 2.0886 0.5814 2.5367 2.4349 0.7459 0.0220 0.6792 1.4762 0.8083 0.6438 1.7301 1.0087 0.8634 1.3760 0.8038 1.9521 0.6362 1.1731 0.9309 0.8246 0.3811 0.9865 1.9573 2.1869 0.1892 2.2962 2.1495 0.4835 0.3266 2.5678 2.5470 1.7844 0.4273 1.0396 0.3376 1.0000 1.4251 2.6435 0.7487 1.1400 0.8458 0.3802 2.8322 0.5187 0.6653 1.3366 0.5347 1.6546 1.2571 1.5319 1.3657 0.1381 0.6157 0.2124 0.7112 2.4949 1.0866 0.8672 1.2154 0.2650 0.9029 1.7546 0.7401 1.2755 0.6528 0.8099 0.5520 0.9865 0.7717 1.7653 2.5058 1-methylxanthine 1.5009 0.3964 3.1734 0.0664 1.1681 0.3811 1.1565 0.0664 0.7973 0.0846 2.8284 1.2080 0.8754 2.3291 1.7287 1.0072 3.4285 0.9137 1.2753 1.2634 0.3867 0.4305 2.6452 1.4201 0.5495 1.3468 0.8144 3.1210 0.1685 0.6157 1.8716 0.6402 0.9801 3.2497 1.3179 1.8551 0.7887 3.4650 2.5763 0.9836 0.0664 0.5692 3.0247 0.7804 0.5677 1.3756 1.0370 0.6865 1.6737 0.7777 2.9353 0.2069 1.6603 1.5241 0.7790 0.3945 1.0604 1.8125 3.4251 0.0664 2.7589 2.3069 0.5157 0.2622 0.5965 2.5318 1.2968 6.1347 1.2854 0.0898 0.9451 0.5197 1.6180 0.4929 0.7366 0.8316 0.6271 1.6496 1.4670 0.4692 1.4579 0.4411 1.5538 0.6525 1.7132 2.0658 0.1056 0.5072 0.0664 0.3139 1.0000 0.6881 1.1182 0.6642 0.0664 0.8024 2.5305 0.7871 1.0787 0.4816 0.9188 0.6989 0.8116 0.4305 1.0543 2.7846 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 0.6526 0.7792 0.3358 0.8571 0.9047 0.6183 1.2149 0.4294 2.6684 0.3302 0.5201 0.6029 1.3735 0.4703 0.9607 1.0400 1.0098 0.5769 0.5894 1.5915 0.4209 0.8946 0.6741 1.4655 0.6346 0.6337 1.1065 0.3904 0.9396 1.6935 0.6086 1.0165 1.0182 0.9995 0.7577 0.7247 1.2081 1.5930 0.5331 0.3543 1.1292 0.7764 0.7688 0.6579 1.5349 0.8855 1.2164 1.0267 0.9766 0.8453 1.1792 1.6408 1.8238 2.6235 1.0278 0.9134 1.3526 0.9083 1.1625 1.8272 1.0005 0.6573 1.5279 1.3709 0.6310 0.8475 1.4899 1.3138 1.3208 1.0171 1.2312 2.1924 1.1609 0.8814 0.8466 2.5325 1.4050 0.4713 0.2856 1.2185 1.4429 1.3845 1.9380 1.9621 0.7718 0.9576 1.5030 1.3627 1.3578 3.3636 0.9698 1.4873 0.5397 0.4817 1.4472 1.1890 1.2166 0.7651 0.8963 1.5114 0.7882 1.4876 0.8562 0.8245 0.5580 1.1771 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 0.7146 0.7596 0.3839 0.8172 1.3553 1.1335 0.7302 0.2376 2.0663 0.6754 0.6436 0.5809 1.4587 0.5952 1.1529 1.1267 0.7462 0.8383 0.3054 1.9842 0.5329 1.1666 0.6426 1.2539 0.9271 1.3793 1.9060 0.5159 1.0693 0.9226 0.4544 0.9957 1.1345 1.1347 0.6795 0.9901 1.7010 0.7974 0.3676 0.5288 0.9870 0.8453 1.2547 0.8773 1.3614 0.6422 1.2068 1.3726 1.4696 0.6708 1.1493 1.7311 1.8830 2.2709 0.8355 0.6380 0.9327 1.6238 1.0043 1.5691 1.1830 0.5405 3.0597 1.4863 0.5272 0.8174 1.6577 0.5710 0.6527 1.0714 0.9503 2.0306 1.2783 0.5597 0.7076 2.1508 1.8432 0.5009 0.3829 1.3276 2.1002 1.2623 1.7566 1.5403 0.7463 0.7147 1.1422 0.9177 0.7173 2.8296 1.2356 1.3888 0.3800 0.4944 1.7621 1.4175 1.7909 0.7966 1.6391 1.7360 0.5977 1.1806 1.5367 0.8522 0.9753 1.1039 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 0.7240 0.6572 0.5562 1.4711 0.8679 1.0139 0.6754 1.0026 1.1416 0.6525 0.7141 0.4549 2.1821 1.7936 0.6861 1.2990 0.7484 0.8437 1.3791 0.7948 1.3268 0.9198 0.9766 1.6049 0.8792 0.6794 0.6750 0.4705 1.3828 1.8332 0.6932 0.8016 0.8051 1.0088 0.7270 1.4544 1.1333 1.1371 0.6005 0.6720 0.7096 0.9048 0.6551 1.0228 2.2962 1.9108 1.4136 0.6473 0.8014 0.8018 0.8550 1.3928 1.7812 0.9974 2.0021 0.6139 1.4386 1.5291 1.5390 1.2473 0.8985 0.5922 1.2998 1.0566 1.1464 0.6665 1.6399 1.8508 1.0454 1.1499 0.7902 0.9740 1.1172 2.1059 1.3918 1.3188 1.1208 1.0953 0.7931 0.8145 1.0075 1.8915 0.8429 1.2054 0.5727 0.9921 1.5954 1.5366 4.0577 2.3643 0.8667 1.5772 1.6520 0.7823 1.1495 0.8447 0.7689 0.7504 0.6377 0.5006 1.4125 0.6517 0.7118 1.1996 0.4805 1.2077 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 0.6079 0.6198 0.5588 0.6227 0.7350 1.3069 0.9859 0.4736 1.1121 0.8095 0.8851 0.5765 0.9668 0.6853 0.7742 0.8929 1.1347 0.9633 1.0311 1.2418 1.0196 0.6011 0.6503 1.1472 0.7290 0.7162 0.8943 0.7935 1.3304 1.2219 0.8669 0.8721 0.9303 0.7923 0.6988 0.6720 0.8135 1.2612 0.6405 0.8927 1.4215 0.8584 1.2472 1.2255 1.3293 0.9167 1.2764 1.0123 1.3444 0.9175 1.0733 1.3785 1.6921 1.0123 1.0674 1.1550 1.0887 1.1618 0.8947 0.8174 0.6504 0.8192 1.2664 1.1245 0.8007 1.0483 1.2739 1.1622 1.3992 0.8979 0.8105 1.3998 1.0263 0.8570 0.9050 1.6978 0.8440 1.3103 0.9877 1.7939 0.8414 1.0282 1.0509 1.2936 0.7860 1.0726 1.3155 0.6559 2.0320 1.4236 0.9292 0.7441 1.0191 0.5903 0.9509 0.8695 0.9464 1.2764 1.1889 1.2539 1.1139 1.0226 1.4518 1.8482 1.5596 1.3186 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 0.2725 0.8491 0.3745 2.2159 1.0138 2.3488 0.4968 0.4537 1.1402 0.2725 0.7011 0.2725 1.8717 0.7088 0.5708 0.4411 0.6307 0.8018 1.4983 1.1839 0.7216 1.0793 0.5270 1.3989 1.2204 0.8700 0.2725 0.5842 1.2911 1.7830 0.9495 0.9344 0.5499 0.7707 0.7018 1.3415 0.7895 0.4423 0.3991 0.3560 1.2258 1.1345 0.9391 1.4175 2.0066 2.8326 1.4798 0.8326 0.7413 0.8122 1.0947 1.5942 2.5122 0.8884 2.5803 0.3776 1.1524 2.6103 1.5037 0.9894 0.8164 0.4423 1.7117 1.4301 0.9711 0.8565 2.7393 1.7710 0.7868 1.5271 0.7757 1.6503 1.0106 1.9829 1.3257 1.1832 1.0290 1.0951 1.2944 0.6242 0.6754 1.1067 0.7784 1.6560 0.2725 0.6857 1.8858 1.5308 5.2661 3.2130 1.0566 1.6449 1.9879 0.7663 1.2565 0.9285 0.7034 0.4840 0.6567 0.6710 1.0462 0.5203 0.8547 1.8355 0.4713 0.8052 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 0.8291 0.6537 1.1214 3.0480 1.3197 2.4142 0.7593 0.8582 1.5182 1.8509 1.3573 0.6071 3.8293 0.9506 1.1014 1.2212 0.8083 1.8284 1.2006 0.8535 1.2087 0.6687 1.0821 3.1638 0.5853 0.7040 1.8234 0.9127 1.4658 1.4381 0.8749 0.4046 1.1916 1.5087 0.6035 1.0779 2.4858 1.1094 0.7476 0.7669 0.5412 0.9589 1.3056 1.5291 1.0541 1.0837 3.1073 1.1246 0.7926 0.3299 0.4753 1.2335 0.8141 0.7964 2.6374 0.6725 0.3345 2.7269 1.7642 1.1445 1.0527 0.3636 1.0132 0.7339 1.2889 0.9868 0.9394 0.9554 0.7640 0.8301 0.4852 0.8728 0.9541 2.7319 1.7242 1.2374 2.2087 0.8319 0.7181 0.6128 1.2951 1.6055 0.5346 0.8860 0.6794 1.0150 0.6039 0.9310 1.2676 2.8099 0.9296 0.9292 1.0408 0.6736 0.6740 0.6596 1.5188 0.9086 0.8073 1.6274 1.5260 0.3749 1.0153 1.6921 0.7239 1.0333 1-oleoyl-GPC (18:1) 1.1932 1.4842 1.3458 1.8564 2.3452 0.9007 1.0306 1.3640 0.9002 1.7188 1.6185 1.3039 1.9841 0.6234 1.7711 1.3477 0.6393 1.6720 0.9311 0.8667 0.9509 1.7017 1.1777 1.7099 1.3697 1.3822 0.8595 1.1845 0.9676 0.7356 1.6406 1.6071 0.9740 0.6416 0.4905 1.4882 1.0498 0.7372 1.2139 0.7416 0.9923 1.6649 0.9867 0.5848 1.1043 1.6860 1.3582 1.4055 0.7942 0.5634 0.5294 1.6669 1.1653 0.7412 1.8422 0.5270 0.5599 0.6375 1.1814 1.7751 0.6944 0.8322 0.6848 0.6178 1.4694 1.0077 0.7064 1.5930 0.6263 0.6599 0.8795 0.9126 0.9201 0.7047 0.7671 1.5107 0.8717 1.2082 1.1184 1.0967 0.8205 1.0813 1.3655 0.9041 0.5753 0.8011 0.7251 0.8337 0.8870 1.7587 0.6510 0.5316 0.7779 0.9841 0.6147 0.5727 0.8388 1.0507 1.4915 1.3476 0.8973 1.6777 1.2747 1.2813 1.4613 1.1976 1-oleoyl-GPE (18:1) 0.8224 1.1403 1.0041 3.3946 1.5799 1.3776 0.8496 1.1820 1.1292 1.2486 1.1432 0.7345 2.6209 0.9015 1.3645 1.4120 0.5982 1.3284 0.9140 0.6568 0.9959 1.1634 1.0424 2.2460 1.0104 0.9044 0.9690 0.9730 0.9379 1.2739 1.1669 0.9884 0.7940 1.1952 0.6628 1.4273 2.1077 1.1534 0.9659 0.7048 0.5787 1.0838 0.8740 0.6402 1.4876 1.6787 2.1552 0.7305 0.7565 0.4875 0.4707 1.5458 1.2487 0.7749 1.8584 0.7031 0.5801 0.9702 1.2393 1.5996 1.0307 0.5769 0.7613 0.8221 1.2769 0.9007 0.9150 2.3327 0.6533 0.9133 1.4474 1.4879 0.9523 1.3722 0.8645 1.8932 1.7963 1.1146 0.7951 0.7909 1.2376 1.7037 0.9247 0.9507 0.7818 0.6716 0.9129 0.8115 2.1254 2.9429 0.5588 0.8712 0.8109 0.7334 0.9427 0.7510 1.4827 0.8197 0.9912 1.5679 1.4131 1.2055 1.1486 1.1372 1.2500 1.1972 1-oleoyl-GPG (18:1)* 1.3444 0.6610 1.3470 1.2287 0.9899 2.2599 0.7813 1.1103 0.3357 1.0142 0.8572 0.6886 1.4472 1.5576 0.3357 1.5387 0.3357 0.9879 0.6773 0.7919 0.6268 0.9854 0.3357 1.6290 0.9061 1.0000 0.6490 1.0085 1.2624 0.5671 1.1546 1.2878 1.1237 0.9917 0.4752 1.1307 0.9868 1.1794 0.9666 0.5271 0.3357 1.4405 0.6300 1.1031 1.4667 1.2256 1.2397 0.8929 0.7086 0.3357 0.3357 0.6372 0.3357 2.9208 1.0306 0.7461 0.7866 2.7238 1.2734 0.9412 0.5623 0.4806 0.3357 0.3357 1.2048 0.5301 1.0575 1.3939 1.2740 0.3357 0.3357 1.9827 2.2338 1.1259 0.8449 0.3357 0.3357 0.6254 0.6888 0.5223 1.3583 0.5322 0.3357 0.3357 0.6063 0.4905 1.1339 1.1047 0.3357 2.1666 0.3357 0.3357 0.3357 0.5675 0.8431 0.3357 0.6201 1.4081 0.7573 0.8627 2.0306 0.3357 1.2134 1.2800 0.9204 1.3187 1-oleoyl-GPI (18:1) 0.8212 0.7131 0.5855 1.0363 0.9069 1.2612 1.1707 0.6320 1.1690 1.8315 0.6658 0.4692 1.3526 0.9950 0.9038 0.8844 1.1441 1.4040 0.6777 1.1280 0.7625 1.0528 0.5928 1.1162 0.9365 0.9480 2.0947 0.9581 0.9994 0.9961 0.9167 1.1100 0.7785 1.0006 0.8310 0.8588 1.2789 1.1676 0.9505 0.6003 1.2662 0.6497 0.8098 0.5063 1.9652 0.7232 1.1331 1.3136 1.4209 0.7332 1.0953 1.5200 1.2918 2.2620 0.8352 0.7020 0.5342 2.2711 1.0841 1.0235 1.7485 0.5753 1.0200 0.4485 1.0081 0.8049 0.5237 1.1404 1.2413 0.4303 0.7363 4.6457 1.0495 0.9264 0.5852 0.8926 2.2605 0.8318 0.8084 1.1854 1.7171 1.9385 0.9824 1.6180 0.6498 1.1801 0.8355 0.8684 1.9113 2.2449 0.8954 1.4225 0.4394 0.7438 0.9399 0.6747 1.5574 1.0308 1.8590 1.8818 0.7731 1.1211 2.0440 1.3904 1.6063 1.9903 1-oleoyl-GPS (18:1) 0.9037 1.2089 1.1280 0.6534 0.6534 0.8605 1.1167 0.8993 0.7773 1.0032 1.0600 0.9426 0.6534 0.9943 1.0788 1.0793 0.7473 0.7170 1.0292 1.1694 1.0459 0.7761 0.6605 0.8231 0.7924 1.1874 1.1034 1.1474 1.0000 0.7295 1.0264 1.0448 0.9161 0.9827 0.7399 0.9541 0.9245 1.0478 0.9248 0.7731 1.2555 0.8313 1.1822 0.8861 1.1769 0.6534 0.6534 0.6534 1.1592 0.8638 1.1474 0.6881 1.0773 1.1506 0.9261 1.0678 0.8487 0.9039 0.8401 0.9164 0.8426 1.2104 1.1926 0.8822 0.8507 0.8205 0.9617 0.9220 1.0950 0.9512 1.1624 0.7981 0.8658 1.0158 0.9407 0.6534 1.0346 1.0453 0.9401 0.9209 1.1250 0.9892 1.1378 1.1117 1.0233 1.1167 1.1348 1.0531 0.9924 1.0980 0.9239 0.9078 0.8649 0.9353 1.0997 1.0171 1.2154 1.0393 1.2234 1.0193 1.1659 0.8978 1.1699 1.1905 0.6534 1.1806 1-oleoylglycerol (18:1) 0.6984 0.9991 0.8420 1.1694 0.9545 2.2865 0.8479 0.7510 1.0344 1.4554 0.5732 0.7283 2.1844 0.4736 0.8973 0.6767 1.1293 0.9676 0.5980 0.4335 0.6961 0.9139 0.7392 1.1667 0.7737 0.9585 1.2799 1.2058 0.8444 1.5382 0.7272 0.9117 0.8620 1.1664 1.1132 0.8986 0.8563 0.8746 1.0323 0.8801 1.6237 1.2714 0.7995 0.8417 3.0498 1.0522 1.4195 0.9158 0.9291 1.3608 2.3206 0.6451 1.4257 1.0778 1.3240 1.0705 1.3344 2.1639 0.7961 1.1181 0.6968 1.9938 2.0087 0.7325 0.7559 0.8107 1.0325 1.0890 1.3857 0.6958 1.0163 8.1077 1.7333 1.0009 1.8012 0.9381 1.8544 0.8665 1.4702 1.0055 1.2330 1.2094 0.9061 1.1927 0.5212 1.0013 0.9295 0.9367 3.7627 5.6333 0.8040 1.5631 0.7709 1.4467 0.9218 1.2807 1.7834 0.8767 0.7700 0.5237 0.9236 1.0009 0.8540 1.5719 0.7803 1.3207 1-palmitoleoyl-GPC (16:1)* 1.1422 1.4535 0.9654 1.4001 4.0832 0.9170 0.8141 0.9469 1.0327 1.2824 1.8463 1.0322 1.5393 0.4382 1.9754 1.1738 0.5502 1.9143 0.8345 1.1914 0.6076 1.9913 1.4144 2.0219 1.2020 2.1596 0.9853 0.9479 0.9051 0.7341 1.4642 1.6581 0.8621 0.4569 0.4895 1.6890 1.1603 0.6974 0.9345 0.4416 1.1503 2.1900 1.0027 0.5707 2.1162 2.1334 1.4810 1.8357 0.7562 0.5305 0.7520 4.0149 1.4460 1.0401 2.0771 0.5876 0.6151 0.6975 0.7399 2.1914 0.6265 0.9252 0.9645 0.7312 1.2385 0.8385 0.9091 1.2391 0.8301 1.1900 0.8309 0.9973 1.0576 0.3614 0.7706 1.8732 0.8982 1.1204 0.8800 1.3554 0.8520 1.2061 1.9120 1.2561 0.4930 0.6170 0.9047 1.0179 0.8786 2.6103 0.8953 0.7562 0.6923 0.9178 0.9351 0.7096 1.1685 0.8092 1.3994 1.0096 0.7594 2.1865 0.9750 1.0202 1.3412 1.0436 1-palmitoleoylglycerol (16:1)* 0.9018 0.8623 0.6096 0.7759 1.3330 2.0116 1.7842 0.9113 1.5658 1.2559 0.3028 0.9350 1.1200 0.2665 1.0136 1.3760 0.4776 1.2378 1.3794 0.3549 0.3404 0.7837 1.2654 1.1694 0.3876 0.7123 1.4271 1.1294 1.2234 0.5203 0.6214 1.3297 0.4312 0.8752 0.7300 0.7770 1.1098 1.3992 0.9129 1.5524 1.4259 1.7948 0.7408 0.6670 4.6379 1.1413 1.1460 1.9640 0.5237 1.0000 1.0414 0.9991 1.4389 0.8819 1.0507 0.5358 0.7950 1.3782 0.7454 1.4882 0.4804 0.9694 2.1025 0.4019 0.3032 1.3699 0.9848 0.4101 1.5795 0.5312 0.3702 6.4764 0.6691 0.5602 2.2480 0.5206 2.3662 0.6066 2.0458 1.4965 1.1150 0.8668 1.8283 1.9877 1.0620 0.8381 0.6526 2.7722 1.8391 4.6338 0.6364 2.5783 0.4852 1.7562 0.7235 1.0050 1.3184 0.5190 0.5060 0.2665 0.6336 1.1205 0.6443 1.4305 0.6864 5.4654 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 0.7962 0.9509 0.7534 0.6259 0.9090 0.8237 1.0909 0.6992 1.1385 0.5422 0.8017 0.8917 1.0537 0.8548 0.7529 0.7879 1.0117 0.7073 0.8772 1.0873 1.0972 1.0456 0.8935 0.9868 0.8715 0.5911 0.8091 0.6106 0.9401 1.1377 0.8034 0.8129 1.0919 1.0413 1.0008 1.0214 0.8327 1.2383 0.8531 0.9148 0.9992 0.8156 0.7374 1.0551 1.4423 1.2556 1.0605 0.9051 0.9511 0.9228 1.2983 1.3236 1.3440 1.2221 1.0490 0.9433 1.2310 1.1474 0.9724 1.1103 0.9493 1.1238 1.0960 1.1653 0.8661 0.8706 1.1897 1.1788 1.1268 1.0580 1.1732 1.4953 1.2349 1.0188 0.9327 1.4570 1.2335 0.8293 0.7748 0.9637 0.9966 1.3905 1.0681 1.1115 0.8649 1.0706 1.4420 1.2184 1.4619 1.4458 1.0629 1.0272 1.1343 0.8519 1.0724 0.9357 0.9632 0.8451 0.8019 0.8812 1.2116 0.9637 0.8406 1.2297 0.7629 1.2214 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 0.6290 0.8713 0.6708 1.0998 1.2486 1.0194 0.6963 0.7464 1.2717 0.6561 0.9195 0.5488 1.9309 1.1893 0.7566 0.8602 0.5619 0.9787 0.9587 0.9490 0.9856 1.0638 1.0120 1.5187 0.8089 0.7792 0.7377 0.4912 0.8534 1.5914 0.8991 0.7955 0.8330 1.1347 0.7690 1.4547 1.0799 0.9598 0.6268 0.7374 0.8954 0.9775 0.6304 1.3170 2.4634 1.7117 1.0670 0.8807 0.8147 0.7931 1.0732 2.1924 1.8063 1.0153 1.6385 0.5422 0.9043 2.3404 1.0317 1.2557 0.9452 0.6697 1.3739 1.0965 1.0743 0.7197 1.4627 1.4199 0.8902 1.3589 0.8932 1.6957 1.5972 1.6705 1.4546 1.8562 1.4789 0.9792 0.8054 0.6383 1.1106 2.0396 1.0276 1.2502 0.5411 0.7547 1.5133 1.7907 2.0400 2.6150 1.1277 2.1612 1.0865 1.0681 1.0431 0.9880 0.9480 0.7342 0.7254 0.5751 1.2043 0.7220 0.8094 1.4004 0.4620 1.2491 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 0.4211 0.5622 0.2540 0.3032 0.8377 1.2849 0.7921 0.2530 1.6033 0.6398 0.5915 0.7287 0.9049 0.6341 1.1577 0.9189 0.6934 0.9742 0.2953 1.8586 0.8708 1.1927 1.0562 1.4791 0.6130 0.6773 0.9248 0.2299 0.5620 1.6021 0.3555 0.5494 1.2098 0.9069 0.4599 0.9377 1.7778 0.6660 0.4003 0.6573 1.1863 0.5230 1.1230 0.8855 1.5479 1.0819 1.2889 0.9087 1.5070 0.5703 1.4212 1.6884 1.6899 1.4084 1.0810 0.6974 0.9589 1.4756 0.6410 0.9131 0.8167 1.1123 1.8923 1.7009 0.7496 0.7393 1.4926 1.2092 1.6714 2.0114 1.1810 2.7136 1.7540 0.3573 0.8326 2.5796 1.0258 0.3822 0.4799 1.1091 1.0530 1.7264 2.0266 1.3811 0.5085 0.5376 1.2332 0.7367 1.1476 1.7909 1.1305 1.2088 0.7216 0.4677 1.5211 1.5189 1.9647 0.7525 1.0485 1.2555 1.0691 1.3699 0.6345 1.4172 0.5979 1.3835 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 0.9403 0.8556 0.7412 0.3641 0.8806 1.0650 1.0709 0.4192 1.2201 0.7677 0.7779 0.9399 1.3630 0.8678 0.9466 1.0096 0.9862 0.9309 0.7537 0.8785 1.0302 0.7549 0.8335 1.1821 0.8143 0.5426 1.0626 0.5593 1.2545 1.1540 0.7350 0.9455 1.0497 0.8601 0.7657 0.7019 1.4777 1.1092 0.7373 0.7617 0.9389 0.9595 0.7849 1.2126 1.2313 0.9409 1.3519 0.9319 1.0575 0.7284 1.3328 1.1950 1.1248 1.0988 0.9955 0.8827 0.7322 1.2559 0.9866 1.0149 0.9152 0.9567 1.2413 1.1082 0.9007 0.9405 1.2000 1.0998 1.1182 0.9133 1.0045 1.4846 1.3420 0.8360 1.1709 1.4114 1.0832 0.9483 0.7434 1.1864 1.0714 1.2225 1.0847 1.1648 0.9656 1.0370 1.2159 1.1847 1.0164 1.2806 1.4315 1.1468 0.5160 0.9358 1.2442 1.0774 1.4488 0.8996 0.9413 1.1504 1.1328 0.9497 0.8132 1.2610 0.9715 1.0503 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 0.6489 0.9088 0.7300 0.5097 0.7632 1.2905 0.9672 0.3916 1.1791 0.6195 0.8157 0.6396 0.8867 0.6812 0.8839 0.6417 0.8897 0.6808 0.7004 1.3870 0.8033 0.8112 0.6308 0.8493 0.9426 0.7978 1.0260 0.8634 0.8392 0.9192 1.0144 1.1214 1.0891 0.9093 0.9365 0.8404 0.6589 1.1089 0.8792 1.0100 1.3127 1.0054 1.3459 1.1172 1.2845 0.8074 1.0390 1.0854 1.1344 1.1003 1.3369 1.6367 1.2463 1.4329 0.8330 1.0514 0.8653 1.4629 0.7878 0.8811 0.8191 1.1680 1.2786 1.2576 0.9270 1.2521 1.2391 0.8871 1.1554 0.8540 0.9425 1.8171 1.1589 0.7591 0.8392 1.8098 1.1252 0.9911 0.9575 1.2086 0.8238 0.9195 1.2736 1.2165 1.0434 0.8923 1.2177 0.9946 1.2181 1.5577 1.2247 0.9822 0.8454 0.7499 1.0271 1.0529 1.0750 1.2821 1.0372 1.0989 0.9377 1.0874 1.4933 1.5891 1.1743 1.3173 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 0.2870 1.2549 0.5683 1.5702 1.1246 1.8995 0.4436 0.3533 1.2096 0.4892 0.7850 0.2845 1.4926 0.4808 0.6123 0.3564 0.5809 0.7167 0.9901 1.3578 0.5954 1.2439 0.6625 1.2092 1.0344 1.0419 0.5766 0.6879 0.8007 1.4180 0.9049 0.9458 0.8291 0.9262 0.6973 1.0815 0.6384 0.4387 0.4867 0.5141 1.3199 0.9331 0.8615 1.6381 1.7095 1.8502 0.9480 0.9062 0.8280 0.8374 1.4038 2.0816 1.9911 1.2183 1.7757 0.3509 0.7582 3.0295 1.0786 0.9020 0.7384 0.6573 1.7479 1.1721 0.9909 1.0303 1.9067 1.2290 0.7494 1.1953 0.7576 2.5487 1.3517 1.5617 1.0873 1.6581 1.0139 1.0574 1.1827 0.4585 0.7016 1.0091 1.0322 1.4608 0.3565 0.6571 1.3073 1.3271 2.2294 2.8997 1.0893 2.0209 1.1360 0.9489 1.0469 1.0624 1.0186 0.5719 0.6889 0.5809 0.8560 0.6565 1.2141 1.8390 0.4307 0.8831 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 0.8580 0.9133 0.7865 0.6890 0.9826 1.1545 0.9944 0.5689 1.1554 0.8046 0.9166 0.9493 1.3527 0.9349 0.9278 0.8785 0.9602 0.7796 0.7437 1.1384 1.0748 0.8921 0.7355 0.9327 0.8276 0.6931 1.0641 0.7126 0.9982 0.8902 0.7925 0.7422 1.1229 1.0649 0.7648 0.7924 1.2239 1.1279 0.8069 0.9726 0.9108 0.7736 0.9821 1.1397 1.0867 0.8227 1.1328 1.0260 1.0957 0.6757 1.1009 1.1352 1.1098 1.2579 0.9200 0.8426 0.7502 1.1900 0.9342 0.9111 1.0170 0.9329 1.2226 1.1224 0.8890 1.0421 1.0443 0.9361 1.0018 0.8937 1.0225 1.2890 1.3568 1.0724 1.1229 1.2698 1.0443 0.8831 0.7592 1.0490 1.0989 1.1204 0.9769 1.0601 0.9640 1.0899 1.0510 1.0434 0.9192 1.3475 1.3252 0.9640 0.8290 0.8158 1.0470 1.0110 1.3677 1.1829 1.0403 1.3984 1.1672 0.8830 1.1664 1.4447 1.0704 1.3161 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 0.6768 1.0162 0.9239 1.8098 1.8284 2.0584 0.5584 0.6313 1.3635 1.4445 1.1965 0.5923 3.0760 0.7374 1.1972 0.9331 0.7046 1.5814 0.7804 0.9563 0.8768 0.8978 0.9873 2.0776 0.7316 0.8185 1.5413 0.7847 0.8322 1.2298 0.9060 0.5505 0.9383 1.3730 0.5198 0.8869 2.0278 0.7597 0.5988 0.8174 0.7514 0.8960 1.0632 1.6734 1.4653 1.0741 1.7195 1.2900 0.8115 0.5077 0.8944 2.0475 1.1317 0.9130 1.9154 0.4884 0.3827 2.6525 1.0037 0.9602 0.8890 0.4539 1.5980 0.9963 1.1073 0.9772 1.1245 0.8006 0.6292 1.3669 0.8207 1.4646 2.0445 2.0877 2.1085 1.3665 1.4893 0.9649 1.0113 0.5099 1.2036 1.7070 0.9888 1.3083 0.4837 0.8168 0.8728 1.2850 1.0636 2.8134 1.5092 1.7742 0.6788 1.0996 0.9548 1.1089 1.6958 0.9248 0.8360 1.2233 1.1967 0.5725 1.1420 1.8312 0.6735 1.1164 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 0.1287 0.1287 0.1287 0.1287 1.3925 1.7681 0.8857 0.1287 1.6337 0.1287 0.8594 0.7115 1.2240 0.2965 1.1776 1.1132 0.1287 0.1287 0.3213 1.3835 0.5079 0.6049 0.7200 1.7763 0.1287 0.6092 0.1287 0.1287 0.3428 0.4297 0.1287 0.3508 0.9779 0.4306 0.2320 0.4129 2.6488 1.0646 0.1287 0.8857 0.1287 0.3920 1.0987 0.7533 0.2877 0.1287 1.6630 0.1287 1.1426 0.1287 1.0000 1.7602 0.7463 1.4828 0.9597 0.5023 0.1287 1.4052 0.6250 0.1287 0.5018 0.3343 1.5644 0.7308 0.1287 0.1287 1.0272 0.3527 0.6195 0.9347 1.3267 3.9413 2.6775 0.7255 0.1287 4.0123 2.0203 0.1287 0.3079 0.1287 1.0698 0.6933 1.0505 1.5863 1.1767 0.5733 0.1287 0.6519 0.1287 1.7179 1.6129 1.0358 0.3668 0.1287 0.7535 1.5085 3.3971 1.6846 1.2250 2.1904 0.4827 1.1506 0.1287 2.1340 1.2672 1.9565 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 0.7315 0.8037 0.6927 0.5872 1.1608 1.1087 0.7969 0.6079 1.1345 0.7426 0.7880 0.8154 1.2213 0.9385 0.8821 0.7997 0.9089 0.9516 0.5778 1.0677 0.9559 0.9985 0.7773 1.0265 0.9950 0.7000 1.0012 0.5771 0.9540 0.9277 0.7185 0.8584 1.1548 1.0513 0.7618 0.9438 0.9287 0.9141 0.7150 0.8474 0.8241 0.8326 1.0859 1.1536 1.7165 1.1674 1.1814 0.9962 1.0655 0.8404 1.0256 1.8782 1.2445 1.1495 1.0036 0.8029 0.9534 1.2867 0.9077 0.9995 0.9747 1.0531 1.3212 1.1512 0.8400 0.8650 1.1299 1.1158 0.9827 1.1685 1.1642 1.3603 1.4170 0.7464 1.0377 1.2771 1.1528 0.9238 0.6949 1.0221 0.9440 1.4226 1.0749 1.1043 0.8353 0.8947 1.1640 1.2483 1.2871 1.5352 1.3597 1.0005 0.8039 0.8428 1.2094 1.0923 1.0973 1.0762 1.0562 0.9955 1.0945 1.0819 1.0764 1.2974 0.9485 1.1734 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 0.6081 0.8322 0.6107 1.4264 1.4550 1.7592 0.5622 0.6805 0.9777 0.6903 0.6133 0.5399 3.1367 1.0223 0.7262 0.8519 0.7684 0.9384 0.7154 0.6432 0.9451 1.1970 1.1242 1.8283 1.0340 0.7355 0.9788 0.5321 0.7166 1.6074 0.6128 0.8086 0.8373 1.1827 0.7600 1.1007 1.4465 0.7546 0.6452 0.7036 0.6107 0.8397 0.9975 1.3376 2.5718 1.6907 1.6474 0.7072 0.7074 0.7924 1.0662 2.7053 1.5093 0.9068 1.8318 0.5553 0.7406 2.3468 1.0294 1.1167 0.9505 0.5678 1.5822 1.0025 1.0833 0.7572 1.4339 1.5639 0.8895 1.6135 0.9778 2.4226 1.3411 1.4887 1.6137 1.2693 1.9488 1.0546 0.7497 0.5142 1.0929 2.2517 1.0089 1.5319 0.5547 0.6222 1.6142 1.5571 3.0449 2.7607 1.1186 2.0791 0.9893 0.9551 1.2605 1.1039 1.2307 0.7559 0.7311 0.5399 1.0412 0.7247 0.9457 1.5802 0.5077 1.1370 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 0.3505 0.8329 0.2050 0.3928 1.9066 1.2098 1.1926 0.1863 1.7036 1.0127 0.8398 0.3570 1.4215 0.8783 0.6454 1.0536 0.6719 1.0840 0.1863 1.4951 0.8589 0.8198 0.6349 1.8609 0.6865 0.5223 1.6134 0.4542 0.4777 1.0130 0.2531 0.5796 1.2984 0.9425 0.7155 0.9383 1.1657 0.9355 0.3986 0.5964 0.8868 0.3203 0.8446 1.5376 2.1393 0.7112 1.3456 1.6906 1.4076 0.5144 1.3248 3.6902 1.2533 1.1139 0.9226 0.3958 0.3296 2.1453 0.7424 0.9873 0.9750 0.6547 2.2195 1.0550 0.6787 0.4613 1.0253 1.1186 1.3453 1.3067 0.9783 3.0695 2.2308 0.6323 0.5757 2.4345 3.3689 0.5735 0.2875 0.8314 1.3162 1.5765 1.3661 1.4027 0.9057 0.7716 0.8144 0.7849 1.1544 1.3691 2.4108 1.8203 0.4386 0.1863 1.6677 1.1007 2.4494 1.2567 1.8678 1.6037 0.7120 1.3093 2.0485 2.2722 0.9440 1.8781 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 0.6901 0.6440 0.4103 0.4932 2.0071 1.0350 0.6737 0.4418 1.3103 0.4931 0.6674 0.6372 1.1384 0.6996 1.0023 0.9041 0.6614 0.9546 0.3868 1.3999 0.5294 1.2447 0.9391 1.2059 0.9808 1.0643 1.2609 0.4299 0.7957 0.9977 0.5485 0.8492 1.0144 0.7995 0.5780 1.1549 1.3781 0.6929 0.4369 0.4601 0.7977 1.0825 1.0863 1.3227 3.4380 1.3790 1.3439 1.2549 0.9521 0.6233 1.3373 4.1260 1.4747 1.3962 1.2028 0.6354 0.8718 1.4289 0.6406 1.2863 0.9623 0.9238 2.5815 1.2748 0.6521 0.6185 1.3284 0.9108 0.8581 2.2832 1.0560 1.4873 1.4343 0.3230 1.0271 1.2908 1.6822 0.7371 0.4351 1.0771 1.1522 1.9175 1.5568 1.6540 0.6232 0.4946 1.3044 2.0032 1.0792 2.7228 1.9718 1.5726 0.5576 0.7472 1.8775 1.4593 1.3869 0.5782 1.0262 0.8082 0.7155 1.4233 0.8593 0.9126 0.7811 0.7523 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 0.8148 0.7201 0.5052 0.4878 0.8571 1.0458 1.0172 0.5523 1.1728 0.9065 0.6957 0.6556 1.0265 1.4622 0.7408 0.9227 0.8865 0.7868 0.7225 1.1892 1.1622 0.8386 0.6274 1.0960 0.7951 0.7428 1.1011 0.5621 1.0799 0.9575 0.6641 0.9151 1.1493 1.1370 0.8872 0.9643 0.9984 1.1170 0.5982 0.7284 1.1660 0.6568 1.0585 0.9595 1.7622 0.7564 0.9551 1.0358 1.2459 0.7947 1.2311 1.1255 1.2366 1.3877 0.7931 0.9229 1.0557 1.2305 0.9835 0.7266 1.0345 0.9272 1.4674 1.1907 0.7968 0.9334 1.0776 0.9788 0.9965 0.7790 0.7913 1.3527 1.2551 1.0592 0.8416 1.6710 1.1447 0.9239 0.5086 1.1602 1.0930 1.3713 0.9890 0.9961 1.1951 1.0071 1.2694 1.0016 1.5119 1.2471 1.1796 0.7712 0.8715 0.6594 1.0784 0.8301 1.1288 1.5266 1.1885 1.2657 1.2054 0.7958 1.3961 1.4449 1.3442 1.6727 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 0.3471 0.3471 0.3471 1.5571 1.0711 1.4183 0.3471 0.3471 1.1449 0.3471 0.3471 0.3471 1.9866 0.7244 0.3471 0.5818 0.3471 1.0728 0.3471 0.3471 0.7441 1.0000 0.3471 2.3862 0.3471 0.3471 1.0792 0.3471 0.3471 1.3093 0.4974 0.8925 0.3471 0.9495 1.0233 1.1348 0.4920 0.8059 0.4611 0.4705 0.3471 0.6387 0.6956 0.3471 1.5039 0.9951 1.3213 0.3471 0.3471 0.3471 0.3471 1.3815 1.4605 1.1204 0.6176 1.1784 0.3471 1.6036 0.3471 0.3471 0.5974 0.3471 1.0985 0.3471 0.9395 0.4921 0.7618 0.5713 0.3471 0.3471 0.3471 2.1811 0.3471 1.4357 0.3471 1.5783 3.4945 0.3471 0.3471 0.3471 1.1212 1.5876 0.5796 0.9372 0.3471 0.3471 0.3471 0.3471 1.7995 2.5874 0.3471 0.6718 0.3471 0.3471 0.4976 0.3471 0.7101 0.3471 0.3471 0.3471 0.7283 0.3471 0.8868 0.6901 0.3471 1.5839 1-palmitoyl-GPA (16:0) 0.3328 1.0224 0.3328 0.3328 1.2027 0.7026 0.3328 0.9121 0.3328 1.1007 0.3328 0.7028 0.3328 0.3328 0.3328 0.3328 0.6473 1.4290 0.3328 0.3328 0.3328 0.4673 0.3328 0.4910 0.3328 0.3328 1.3212 0.7886 0.3328 0.3328 1.0117 0.3328 0.3328 0.3328 0.6204 1.0628 0.3328 0.4153 0.3328 0.3328 1.1228 0.3328 0.3328 0.3328 1.0003 0.3328 0.3328 0.5203 1.1375 0.7200 0.3328 0.3328 1.0187 1.2834 0.7880 0.3328 0.3328 0.9601 0.3328 0.3328 0.3328 0.3328 1.9301 0.3328 1.0972 0.9759 0.3328 0.3328 1.3207 0.3328 1.0000 2.9608 0.3328 0.6247 0.5291 0.3328 0.3328 0.3328 0.3328 1.4713 0.7187 0.3328 0.3328 0.3328 0.3328 0.8543 0.3328 0.3328 1.1443 2.1680 0.9882 1.2889 1.0891 0.7704 0.6804 1.1424 0.8515 1.1012 1.4423 0.7496 0.5794 0.9755 1.4397 0.9007 1.1379 1.4679 1-palmitoyl-GPC (16:0) 1.0867 1.4399 1.0994 1.4234 1.6374 1.0167 0.9797 1.0106 1.0102 1.2544 1.4053 1.0939 1.6384 0.6321 1.2917 0.9657 0.6820 1.1191 0.7912 1.0402 0.9298 1.3565 0.8297 1.2859 1.0334 1.2517 0.9181 1.0186 0.7895 0.6764 1.3140 1.1367 0.8876 0.8253 0.6314 1.1795 0.8900 0.7715 1.0816 0.7254 1.0325 1.3391 1.0006 0.6381 0.8868 1.2097 1.0281 1.1533 1.0691 0.6399 0.8570 1.1836 1.1102 0.9759 1.2368 0.7271 0.5872 0.7763 0.9541 1.4200 0.6623 0.9860 0.9368 0.8036 1.0052 0.9352 0.8439 1.0380 0.8308 0.8008 1.0460 1.1182 1.1261 0.7393 0.7454 1.6218 0.8102 0.9994 0.9473 0.9917 0.9671 0.8420 1.1540 0.9757 0.6826 0.9020 0.8187 0.7740 0.8478 1.4342 0.8396 0.6341 0.8034 0.8700 0.8179 0.8053 1.2252 1.2856 1.3193 1.1143 1.0170 1.2385 1.3157 1.3670 1.1845 1.2183 1-palmitoyl-GPE (16:0) 0.6376 1.5369 1.0147 3.0120 1.8653 1.2738 0.8206 1.0280 1.1455 1.0906 1.3479 0.6606 1.9246 0.5528 1.4114 0.8745 0.5044 1.3907 0.9399 1.0271 0.8441 1.5150 0.8795 1.5923 0.9937 1.5447 0.8982 1.0009 0.8523 0.8787 1.5349 1.2749 0.7455 0.8872 0.5348 1.2597 0.9073 0.8546 0.7668 0.5711 1.2274 1.4776 0.8000 0.6847 1.0207 1.7379 0.9863 0.9521 0.9297 0.5672 0.6681 1.7915 1.6293 0.9984 1.9979 0.6157 0.5509 0.9109 0.9202 1.1335 0.5401 0.6852 0.9697 0.7172 1.0799 1.2121 0.9884 1.1392 0.6864 0.9315 1.2420 1.4479 1.2035 1.0042 0.9255 2.3828 1.0363 1.2547 1.0958 0.8420 1.0046 0.9602 1.2978 1.1322 0.6244 0.7097 0.7627 0.8052 1.2949 2.3958 0.6689 1.0528 0.7251 0.8136 0.8111 0.7945 1.1261 1.2555 1.1258 0.8946 0.9991 1.0192 1.7001 1.4419 1.1250 1.4779 1-palmitoyl-GPG (16:0)* 1.5164 1.2340 0.9727 1.4176 0.9378 1.7008 0.6840 1.1845 1.0604 0.9132 1.2671 1.4348 1.6616 0.9972 1.4872 1.3170 0.4627 1.5088 0.7399 0.6979 0.9300 0.8870 0.9635 1.3963 0.8358 1.5402 1.0928 0.8994 0.8416 0.7830 0.9040 1.1697 0.8929 1.8903 0.9617 1.0513 1.0152 1.3187 1.1528 0.7965 1.1719 1.2927 0.8379 0.5308 2.1034 1.0389 0.7540 0.8983 1.4201 0.5486 0.8760 0.4115 0.6984 3.3526 1.0285 1.0415 0.8161 2.2939 0.8948 0.8401 0.6673 0.4115 1.2033 0.4115 1.2362 0.7027 1.0429 0.7263 0.4115 0.8582 0.8901 3.3523 1.5873 0.4115 0.4115 1.4535 1.2899 0.4115 0.9695 0.6084 1.7326 0.9820 1.0406 0.6185 0.6596 0.4669 0.4438 0.9520 2.6355 2.7278 1.0398 1.0274 0.4115 0.8899 1.1682 0.7628 1.6878 0.5728 1.0028 0.4115 1.9144 0.9077 1.5640 0.9276 0.9887 1.0566 1-palmitoyl-GPI (16:0) 0.8919 0.4884 0.5268 0.9188 1.1707 2.1910 1.7558 0.6612 1.5389 1.9703 0.6639 0.5503 0.4204 0.4378 1.1569 0.6955 0.9482 2.1724 0.2359 0.7121 0.5808 1.2895 0.5524 0.9918 0.6349 1.2575 3.2607 0.9280 0.4231 1.5426 0.9029 0.8977 0.7990 1.4462 0.8577 0.6666 1.2965 0.8384 0.8250 0.7220 2.8478 0.9860 0.8973 0.3882 3.4515 0.6319 1.0633 2.5671 1.7830 1.5596 2.5573 0.9183 2.1660 2.7755 1.2508 0.6930 1.4328 2.2598 0.7808 0.6756 1.0082 0.6253 1.3987 0.8260 1.0879 0.5840 0.4295 0.3952 1.7595 0.3988 0.5596 7.2998 1.2359 0.4932 0.9252 1.8864 1.5185 0.7634 1.4588 1.0470 2.2134 2.2363 1.6939 2.3326 0.5238 1.2376 0.7095 0.5846 1.9544 4.8794 0.7823 3.6088 0.2253 0.7239 1.2841 1.3614 1.8556 0.9353 2.6418 1.4864 0.7064 1.7020 2.3034 2.0939 1.5732 2.2953 1-ribosyl-imidazoleacetate* 0.9573 2.2774 1.3529 0.9920 0.5639 0.8415 0.8840 0.8631 1.0985 2.5538 1.2311 1.0046 1.6594 1.2054 1.5542 1.2118 1.3739 1.1334 1.7764 0.9011 0.7341 0.8108 0.8780 2.0006 0.5537 1.0592 2.0628 1.0921 1.8602 1.7745 0.6493 0.8062 0.8351 2.0058 1.1308 1.0726 0.7348 1.4468 1.5731 0.6915 0.3481 0.7997 1.0412 0.8374 1.4393 2.2284 0.6987 1.6346 0.7956 1.4777 0.7617 1.3281 1.0316 0.8641 1.1978 1.1618 0.4467 1.1959 0.9954 1.4272 0.8074 0.6508 2.1376 1.2783 0.4382 2.3701 0.7538 1.1620 0.7394 1.9382 0.6673 1.6704 1.8066 0.2302 0.2759 0.8202 0.4492 1.0767 1.9882 0.5611 0.7529 0.2487 0.4364 1.1337 2.0146 0.3041 0.5835 0.6049 0.7915 1.2086 1.6406 1.1463 0.4545 0.6327 0.4747 1.0879 0.5593 0.5620 1.4349 1.4838 0.8403 0.6023 0.5455 0.5643 1.3395 0.4771 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 0.8301 0.9963 0.6669 0.5376 0.8338 0.8399 1.0559 0.6179 0.9486 0.4994 0.6872 0.8173 0.9225 0.8678 0.6535 0.7408 0.9956 0.6657 1.0062 1.0690 1.1671 0.9973 1.0878 1.1219 0.8767 0.4578 0.7528 0.5614 1.1081 1.3558 0.8018 0.9248 1.1316 0.9779 1.0083 0.8875 0.8990 1.5148 0.8994 0.9065 1.0899 0.7880 0.8026 1.0946 1.3073 1.2259 1.1596 0.9003 0.9658 1.0710 1.4064 1.1634 1.4188 1.1516 1.0264 1.1158 1.5854 1.0743 1.1857 0.9961 0.8233 1.2957 1.0839 1.2099 0.9290 0.9516 1.2907 1.5324 1.3198 1.0071 1.2120 1.6498 1.1335 0.8749 0.9521 1.5165 1.0404 0.9440 0.8182 1.1617 0.8617 1.1582 1.2581 1.1602 0.9044 1.0027 1.5200 1.0447 1.7787 1.2713 0.8040 1.1060 1.2951 0.7517 1.0089 0.9629 0.8312 0.8701 0.7574 0.9220 1.1812 0.9388 0.7587 1.3197 0.7986 1.2664 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 0.8100 1.0293 0.6145 0.8602 1.0577 0.9953 0.7746 0.7154 1.1169 0.6458 0.5876 0.5340 1.7432 1.5890 0.6452 0.9002 0.6922 0.6330 1.1921 0.7829 1.0874 1.0259 0.9798 1.4851 0.8345 0.5763 0.6530 0.4746 1.0468 1.5305 0.7808 0.8833 1.0296 1.1192 0.8236 1.3561 0.8659 1.3716 0.6550 0.7192 0.8588 0.8664 0.7570 1.2499 2.3639 1.6060 1.3041 0.6187 0.8899 0.8101 1.2076 1.2917 1.5246 1.2651 1.3901 0.7366 1.2644 1.8246 1.3686 1.0937 0.9463 0.8098 1.2771 1.0381 1.0813 0.7555 1.3175 1.7693 1.0220 1.0937 0.8504 1.8329 1.3681 1.5834 1.4437 1.4740 1.3244 0.8046 0.6433 0.8142 0.9253 1.4027 0.9848 1.2713 0.7338 0.7411 1.6605 1.5311 2.0649 1.9202 0.9389 1.4565 1.4451 0.9816 1.0047 0.9898 0.9302 0.9275 0.6388 0.6317 1.1729 0.7154 0.7982 1.6519 0.5224 1.3575 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 0.7256 0.7833 0.6018 0.3437 0.6927 1.1798 1.0976 0.3824 1.3543 0.6165 0.5749 0.7467 1.2628 0.8707 0.7961 0.8340 0.9443 0.7343 0.6358 0.9526 1.0282 0.8803 0.9528 1.0479 0.6943 0.4796 1.0577 0.4307 0.8681 1.3351 0.7128 0.8286 1.0647 0.9338 0.9507 0.8601 1.0655 1.2900 0.7919 0.8567 1.3141 0.8422 0.8581 1.1065 1.4427 1.0001 1.3339 0.8330 1.1868 0.8054 1.1937 0.8026 1.1678 1.3969 0.8900 0.8997 1.0638 1.1915 0.9999 0.8878 0.7712 1.0495 1.2904 1.4025 0.8532 0.9438 1.2585 1.1785 1.3856 0.9521 1.0656 2.3241 1.2127 0.8429 1.3337 1.8765 1.0364 0.6172 0.5845 1.1202 0.8383 1.2096 1.3328 1.5155 0.7946 1.0562 1.5203 1.0754 1.5218 1.4749 0.9856 1.0562 1.0008 0.5120 1.1745 1.1291 1.4062 1.2747 0.7537 1.0908 1.2268 0.8830 0.9378 1.8778 0.6905 1.9882 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 2.7190 0.6758 0.2483 0.8822 1.0037 0.7342 0.2364 0.4091 0.4548 1.5370 0.2364 0.8130 0.2364 9.7183 0.4420 4.1713 0.6871 0.3872 1.6402 1.4213 2.5379 1.2450 0.2364 1.4981 1.0335 0.3956 0.2364 0.3386 2.3873 0.3911 0.4839 2.2593 1.6474 0.2364 1.0000 0.2364 1.2872 0.2364 0.5456 0.4722 0.8774 0.2364 1.1605 1.2118 5.8597 0.8601 0.8510 0.4090 0.6482 0.6642 1.5911 0.8343 1.5621 0.2364 1.2006 0.2364 0.2364 1.5468 1.1902 0.8901 1.8879 0.9683 0.7788 1.3154 0.2364 0.5980 1.0021 0.2364 1.3063 0.9263 0.9532 0.6092 0.5437 0.2364 2.6694 1.7371 0.4267 0.6478 0.2716 2.0373 1.0024 0.6536 0.6032 0.2364 2.7475 0.4838 4.7456 2.7163 0.2364 0.6771 1.4173 0.3608 0.2364 0.2364 1.1059 1.1505 0.9604 1.5594 1.5070 1.1874 1.6292 0.6005 0.2364 1.6571 0.4971 1.2111 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 0.5563 0.8938 0.6489 0.4000 0.8066 1.3498 0.8959 0.3220 1.0069 0.5016 0.6305 0.5376 0.6464 0.6796 0.8593 0.5324 0.8406 0.6811 0.7576 1.2664 0.7561 0.8164 0.7332 1.0390 0.9658 0.7695 1.1847 0.8109 0.7502 1.0081 1.0290 1.3214 0.9927 0.7732 0.9983 0.7477 0.8538 1.0440 0.9005 1.0338 1.3821 1.0507 1.6801 1.1607 1.1449 0.7233 0.9467 1.0534 1.1348 1.3427 1.4296 1.6125 1.3120 1.2588 0.8290 1.1071 0.9886 1.6514 0.7639 0.7571 0.7807 1.2987 1.4243 1.2234 1.1111 1.3660 1.1985 1.0673 1.2399 0.7501 0.7180 2.2409 0.9389 0.5302 0.7421 1.5403 1.0880 1.2186 0.9409 1.3067 0.6589 0.6276 1.7934 1.3293 1.0017 0.6481 1.1665 0.8492 1.1444 1.4078 0.9426 1.2549 0.8524 0.7461 0.9854 1.1882 0.8781 1.3781 1.0217 1.1105 0.6716 1.1351 1.6847 1.5210 1.1422 1.2746 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 0.3970 1.3773 0.7569 1.5734 1.0917 2.0531 0.6075 0.5621 0.9970 0.6175 0.6896 0.4024 1.2774 0.5549 0.6461 0.4525 0.6028 0.7186 1.1561 0.9642 0.6751 1.3489 0.7375 1.2615 1.0757 1.0768 0.6733 0.8284 0.7277 1.3255 1.0477 1.2648 0.8602 0.9618 0.9643 1.1370 0.7126 0.5509 0.7709 0.6010 1.2352 1.0030 1.1038 1.3129 1.4977 1.8958 1.1762 0.6768 0.6502 1.3134 1.7367 1.3491 1.3395 1.3768 1.7487 0.6052 0.8984 3.0559 1.1915 0.9090 0.7236 0.6709 1.2714 0.8816 1.0285 0.9965 1.9504 1.3857 0.9325 1.0252 0.6350 2.8583 1.0331 1.3389 1.0848 0.9879 1.0903 0.6904 1.2274 0.5369 0.6691 0.4834 1.0863 1.3365 0.3895 0.6204 1.0577 1.3062 1.9082 2.2451 0.8780 2.2163 1.2211 1.2445 1.1590 1.0545 1.0218 0.6048 0.5479 0.4206 0.5363 0.6239 0.9423 1.4256 0.3976 0.6095 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 0.8340 0.9529 0.7801 0.6777 1.0375 1.1921 1.0633 0.5666 1.0607 0.9489 0.9714 0.8815 1.2769 0.9136 0.8162 0.8391 1.0226 0.8867 0.8319 1.1402 1.1164 0.7711 0.7906 1.1084 0.7911 0.6273 1.0662 0.7060 1.1762 1.1371 0.8361 0.7165 1.1481 1.0804 0.7411 0.7439 1.2674 1.1854 0.7898 0.9365 0.9874 0.6898 0.9683 1.2057 0.8087 0.8602 1.3552 0.9798 1.1188 0.7065 1.0939 0.8699 1.2047 1.1469 0.9889 0.9153 0.8079 1.1172 1.1496 0.8475 0.9319 0.9683 1.1616 1.0557 0.9817 0.9880 1.1005 1.2113 1.1508 0.8806 0.8906 1.2619 1.2367 0.9583 1.0836 1.2795 1.0301 0.9386 0.7410 1.2567 1.0434 0.9734 1.0352 1.0470 0.9273 1.0641 1.0111 0.8664 1.0285 1.1031 1.0620 0.9451 0.9586 0.8423 0.9620 1.0203 1.2894 1.1756 1.1186 1.5991 1.1879 0.8233 1.1111 1.5397 1.1389 1.3625 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 0.5894 0.9772 0.8062 1.4740 1.3656 2.0277 0.7949 0.5880 1.3940 1.1222 0.7750 0.5808 3.1992 0.5670 0.9493 0.7854 0.7547 1.1162 0.9457 0.7418 1.0454 0.8516 0.8680 2.0843 0.7141 0.6399 1.5590 0.5969 1.0351 1.7745 0.7416 0.6232 1.2344 1.4777 0.6484 0.9074 1.9302 0.9943 0.7103 0.7291 0.8115 0.7857 1.1390 1.7051 1.6915 1.2400 2.4194 0.9182 0.7139 0.5983 0.9737 1.4065 1.3335 1.0323 1.9138 0.7301 0.5573 2.6290 1.3754 0.9782 1.0547 0.5884 1.4277 0.8716 1.1708 0.8416 1.2260 0.9339 0.9469 1.0781 0.6555 2.1172 1.7353 1.8611 2.0491 1.1574 2.2201 0.8091 0.6882 0.5729 1.0201 1.4166 1.0013 1.1950 0.5493 0.7988 1.0200 1.3458 1.0909 2.5204 1.3381 1.7027 0.9563 0.9987 0.9674 1.1065 1.6088 0.9067 0.7186 1.2084 1.1471 0.5606 0.9645 1.9049 0.5666 1.1564 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 0.5221 0.7513 0.4805 0.6996 1.2565 1.5188 1.5217 0.2687 1.2702 1.0187 1.0269 0.2186 1.5689 0.4749 1.0452 0.9633 1.0809 1.0574 0.7079 1.6479 0.9995 0.7331 0.7297 1.0872 0.6270 0.3258 1.3753 0.4586 0.9447 0.9075 0.7779 0.5807 1.0318 1.0005 0.4526 0.5013 1.8307 1.2244 0.6884 1.0730 1.5936 0.2606 0.8272 1.2910 1.0592 0.4764 1.4550 1.4327 1.4162 0.4844 0.9553 1.5711 1.0042 1.5426 0.7338 0.7693 0.4942 1.5417 0.7486 0.5061 0.9258 0.7848 1.0634 0.9168 0.7817 0.9632 0.8773 0.8174 1.4059 0.8321 1.0998 2.7593 2.1293 0.7086 0.8633 2.5879 1.2919 0.6635 0.4110 0.9703 1.1752 1.1373 1.0790 1.6458 0.7839 1.4252 0.7415 0.5973 0.8895 1.2463 1.3500 1.0649 0.9078 0.7089 0.9043 1.1361 2.8929 1.3953 1.2880 3.0380 1.0289 0.9519 2.1523 2.0139 1.5054 2.6177 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.6056 0.6322 0.5041 0.3810 1.1284 1.1374 0.7900 0.4086 1.1868 0.7295 0.5485 0.6081 1.0294 1.0547 0.7482 0.7229 0.9335 0.8608 0.5891 0.9540 0.8396 0.7732 0.7586 1.1911 0.8099 0.5394 1.2141 0.4654 1.0737 1.2267 0.5585 0.7754 1.0051 0.9448 0.7221 0.8000 1.0938 0.8911 0.5726 0.6358 0.8203 0.6506 1.0883 1.2647 1.9674 0.9273 1.4512 0.9697 1.0509 0.7644 0.9561 1.7186 1.3847 1.0363 1.0104 0.7688 0.9267 1.5199 0.9702 0.8835 0.9082 0.9948 1.3953 1.0462 0.9510 0.8048 1.0433 1.3467 1.0080 0.9530 0.9034 1.6243 1.2243 0.6383 1.0966 1.0752 1.4009 1.0054 0.4833 1.0264 0.8780 1.3761 1.4023 0.9636 0.8375 0.7468 1.1156 1.1950 1.3130 1.4315 1.1847 1.1424 0.7308 0.6999 1.0381 1.1171 1.1093 1.1746 1.0602 1.1316 1.0340 1.0227 1.1260 1.4269 1.0586 1.1535 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 0.5837 0.8665 0.5810 1.5829 1.3632 2.0692 0.7250 0.6466 1.2471 0.9391 0.5089 0.4665 3.4504 1.0723 0.7254 0.7131 0.8029 0.7555 0.8984 0.5544 0.9997 1.1442 1.0908 2.5802 0.9306 0.5462 1.1804 0.7007 0.7761 2.1604 0.6788 0.9329 1.1351 1.4780 0.8466 0.9902 1.7002 0.9467 0.7088 0.6663 0.6379 0.7086 1.1597 1.3405 2.4262 1.5732 3.3661 0.5739 0.6446 0.8249 1.0483 1.5517 1.3326 1.1566 1.4083 0.8403 0.7451 2.9767 1.4210 1.4861 1.0031 0.6602 1.4343 0.9122 1.2096 0.8008 1.3755 2.0170 1.0425 1.1021 0.7199 3.0092 0.9392 1.8691 1.6581 1.0208 3.2691 0.7723 0.5889 0.5130 0.8801 1.7633 1.0245 1.2353 0.6581 0.5809 1.2564 1.5288 2.8739 2.7773 1.0279 2.0954 1.0003 0.8551 1.1247 0.9397 1.2212 0.7849 0.7807 0.9526 0.9718 0.5944 0.8091 1.5822 0.4941 1.1268 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 0.3113 0.8552 0.1561 0.6796 1.7081 1.6464 1.2503 0.2014 1.4511 1.3310 0.8062 0.4130 1.3620 0.6717 0.5996 0.5405 0.9955 0.7466 0.3382 1.6682 1.1200 1.0855 0.5315 1.2584 0.6126 0.3693 1.2602 0.2428 0.7898 0.9975 0.3615 0.8279 0.8684 1.4292 0.5130 0.4181 0.9626 1.1861 0.4732 0.6928 1.0636 0.3181 0.6354 1.5655 1.7304 0.5004 1.9226 1.0522 1.6702 0.2868 1.1998 2.1661 1.5115 1.0876 0.6979 0.6478 0.2802 1.9946 0.7082 0.1561 1.2483 0.5749 1.3712 0.9450 0.5205 0.5958 1.0000 1.3530 1.2768 0.7078 1.0925 2.9033 1.2757 1.0543 0.4083 1.1910 2.8652 0.6264 0.2042 1.2703 1.4677 1.3956 0.8659 0.8669 0.7706 1.4325 0.7269 0.1561 1.3141 0.9777 1.5201 0.9954 0.4279 0.3924 1.1012 1.1522 3.2306 1.4722 1.9721 2.2136 1.1803 0.1561 2.1251 2.7884 1.5501 3.0757 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 0.9540 0.5510 0.1888 0.6933 0.6700 0.5515 1.0874 0.8756 0.8944 0.6959 0.2633 0.6220 1.2925 4.0616 0.5941 1.4751 0.8265 0.3207 1.2157 1.1289 2.0334 1.0440 0.8680 1.1733 1.3139 0.7645 0.6705 0.5103 1.4720 0.5573 0.3971 1.3051 1.2140 1.4644 1.1599 1.8187 1.2128 1.7992 0.6030 0.6699 0.8217 0.7714 1.6352 0.5676 3.0528 0.6129 0.7885 0.4398 1.3384 0.6962 0.8879 0.8015 1.2482 2.1331 1.1292 1.1861 1.6523 1.1165 1.4546 0.7049 1.3935 0.7800 1.2815 1.3668 1.8306 0.7935 0.9046 2.3145 0.9736 0.7457 0.5358 0.6962 0.6382 1.5446 1.0368 1.7010 0.5600 0.6344 0.2458 1.3357 1.3536 1.2649 1.0264 1.1785 1.2018 0.4453 2.8733 1.3311 3.0534 0.6858 1.6278 0.5568 1.8795 0.6345 1.3139 0.8918 0.7998 1.9964 0.9229 0.7866 0.9327 0.7881 1.3927 2.2501 1.0324 1.7682 1-stearoyl-GPC (18:0) 1.0534 1.7896 1.2206 1.3961 1.7734 1.0273 1.1353 1.1297 0.9680 1.4077 1.4502 1.0344 1.3879 0.4438 1.4846 1.0242 0.6412 1.2848 0.9981 0.9575 0.9587 1.4032 1.0669 1.7765 0.9812 1.2264 0.9658 1.0300 0.9051 0.8152 1.4911 1.6002 0.9518 0.6324 0.5509 1.0886 1.0956 0.9244 1.2703 0.6520 1.2714 1.3875 0.9421 0.5959 0.7966 1.3444 1.0229 1.2407 0.8700 0.5850 0.7618 1.1323 1.1046 0.7227 1.4759 0.5818 0.6003 0.5937 1.1167 1.3696 0.4905 0.8748 0.7437 0.6387 1.3910 0.9949 0.6848 1.4718 0.9012 0.6327 0.6730 1.1363 0.8960 0.5878 0.8276 1.6457 0.7353 1.0713 1.0589 1.1047 0.8561 0.5612 1.5063 0.7755 0.6396 0.8807 0.7001 0.5059 0.7467 1.2133 0.5710 0.5968 0.9322 0.8755 0.5444 0.6461 1.0019 1.2892 1.3643 1.3491 0.8632 1.3332 1.2070 1.5144 1.2705 1.3766 1-stearoyl-GPE (18:0) 0.9494 2.0750 1.0915 3.2485 2.4284 1.1269 0.9067 1.4207 1.0961 1.5737 1.2619 0.7267 2.6988 0.7141 1.5819 1.0963 0.4611 1.4155 1.1207 0.8436 0.9612 1.8316 1.0757 2.1582 1.0003 1.6482 0.8848 0.9695 0.8883 0.8778 1.6566 1.6350 0.8509 0.8148 0.5054 1.6357 0.9718 0.9126 1.0326 0.5677 1.1348 1.6889 0.9575 0.7041 1.1780 2.0465 1.2257 0.9464 0.7455 0.5720 0.6643 1.5768 1.2938 0.8133 2.4910 0.5550 0.6064 0.7802 1.3265 1.6836 0.5061 0.6047 0.9281 0.6874 1.3692 0.9593 0.9435 1.7252 0.7901 0.8174 0.8246 1.3907 1.1650 1.1279 1.0973 2.1347 0.9997 1.0505 1.1338 0.8844 0.9033 0.8625 1.3400 0.9879 0.6298 0.7921 0.8755 0.7834 1.2271 2.1373 0.7496 0.9124 0.9913 0.9668 0.6579 0.7502 1.0172 1.2480 1.2066 1.0179 0.9084 1.2213 1.3117 1.7251 0.8872 1.5820 1-stearoyl-GPG (18:0) 0.4140 0.9591 0.4140 0.4140 1.0557 1.6950 0.4140 0.4140 1.1893 1.0218 0.4140 0.7923 0.8785 0.4140 1.1170 0.4140 0.4140 1.1160 0.4140 0.4140 0.4140 0.4140 0.4140 1.5842 0.4140 0.4940 1.0000 0.4140 0.6510 0.4140 0.6463 1.0381 0.4140 1.3583 0.4939 1.2169 0.4140 0.4140 0.4140 0.4140 0.4140 0.4140 0.4140 0.4140 2.2918 0.9247 0.7082 0.4140 1.0780 0.4140 1.1568 0.6533 0.5603 2.6085 0.7359 0.4140 0.6126 2.2824 0.6167 1.4771 0.4140 0.4140 0.7749 0.4140 0.4140 0.7251 0.4140 0.4140 0.4140 0.4140 0.4140 4.6946 0.9409 0.4140 0.6529 0.4140 2.1997 0.4140 0.4140 0.8782 1.1354 0.6434 0.6742 0.8166 0.5687 0.4140 0.4140 0.5859 2.3868 1.9555 0.4140 1.2805 0.4140 0.4140 0.7605 0.4140 1.6454 0.4140 1.3261 0.4140 1.8049 0.4140 1.1314 0.4140 0.4140 0.4140 1-stearoyl-GPI (18:0) 0.9859 0.6624 0.4957 0.8620 0.8494 2.2168 1.5719 0.7340 1.2284 1.9809 0.6923 0.5985 0.4941 0.6587 0.7009 0.5782 1.1356 1.3650 0.3636 0.5591 0.9618 1.2450 0.4976 0.8254 0.7580 0.9687 2.1716 0.7673 0.6077 1.3991 1.3843 0.8822 0.8359 1.4273 0.9900 0.8248 0.7605 1.0629 0.8639 0.5553 2.4721 0.9321 0.8174 0.5995 3.1687 0.7943 1.0214 1.3855 1.6748 1.5872 2.4427 0.4896 2.0948 2.6339 1.3067 0.9090 1.8959 1.3896 1.1915 0.7719 0.7642 0.8477 1.3046 1.0662 0.9003 0.6738 0.6332 0.6392 1.5931 0.4602 0.7085 5.4544 0.9035 0.6394 1.0510 1.7845 0.7874 0.8467 1.3011 1.3414 2.2644 1.4688 1.0901 2.0267 0.4754 1.2257 1.0100 0.8202 2.9314 2.4526 0.7087 2.1701 0.4924 0.6195 1.2713 1.3110 1.4175 0.9231 1.6768 1.4283 1.0423 1.0873 1.6309 1.9737 1.1336 1.6995 1-stearoyl-GPS (18:0)* 1.5599 0.2245 0.2245 1.0702 0.5799 0.6192 1.1386 1.0562 0.2245 2.2377 0.2245 0.2245 0.8916 4.7726 0.2245 1.0000 0.3906 0.2245 0.2245 0.5611 2.6938 1.9669 0.2245 0.8598 1.4516 0.6211 0.3546 0.2245 0.2245 0.2245 0.2245 0.4556 1.3684 2.8949 0.2245 2.1529 0.3841 1.1629 0.2245 0.2245 0.2245 0.6675 1.6712 0.2245 8.3129 0.3613 0.4970 0.3096 1.9940 0.3200 1.7126 0.2245 1.2849 3.8420 1.2700 0.2245 4.9996 0.2245 1.9686 0.4338 0.5114 0.2245 1.3852 0.9266 1.3045 0.2245 0.6945 2.6829 0.7113 0.2245 0.2245 0.2245 0.5287 0.2245 1.3423 2.7039 0.2245 0.2245 0.3156 2.3001 4.9345 0.4234 0.5806 0.7648 0.6198 0.6344 4.2238 0.2245 5.7134 0.2245 1.4171 0.5670 1.2424 0.5927 1.2929 0.5900 0.4039 0.5925 2.5073 0.5750 0.5003 0.2245 0.5439 3.2164 1.1027 0.9279 10-heptadecenoate (17:1n7) 0.9339 0.8674 0.6313 0.1872 3.5302 1.0989 1.0062 0.1340 1.0766 0.2290 1.1460 1.6828 0.7713 0.8159 2.6260 1.2376 1.5590 0.4891 0.5888 0.6193 0.5425 0.2912 2.1977 0.8488 0.8484 1.1022 0.6357 0.8326 1.2497 2.1210 1.5258 0.8280 0.6583 0.5682 0.5151 0.7338 0.9938 0.4554 0.7553 1.2222 1.1300 0.6775 0.7311 1.6952 2.0106 0.9232 0.9786 0.6913 1.4689 0.6847 1.1669 4.1754 0.7905 0.9753 0.4309 0.8777 1.4512 0.6680 0.7240 1.5751 0.7482 0.9791 2.0112 1.5262 0.5130 0.8813 1.3506 0.7367 1.0886 1.3311 1.1898 4.1234 2.1607 0.6526 2.0970 1.3526 1.8996 1.9651 1.6665 2.1668 0.5677 3.3619 1.8402 2.0960 0.8120 0.6610 1.4280 1.7703 7.0269 2.4500 2.1280 1.1562 1.4077 1.2532 0.6995 2.0454 2.0696 0.7241 0.3206 0.5995 1.6807 1.1597 0.9196 1.4449 0.8724 0.5870 10-hydroxywarfarin 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.3382 0.0784 0.5274 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 1.4726 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 2.0541 0.0784 0.0784 0.4076 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 1.5673 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 1.4776 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 0.0784 10-nonadecenoate (19:1n9) 0.7837 0.7270 0.7058 0.1732 2.7211 1.0198 0.8467 0.1333 0.8507 0.3297 1.0035 1.6145 1.0502 0.7958 2.1440 1.0407 1.1702 0.4564 0.5649 0.5722 0.5423 0.2981 1.3753 0.8834 0.9262 0.7800 0.6677 0.7142 1.2279 1.4923 1.3387 0.6446 0.6457 0.5336 0.5478 1.0489 0.7604 0.5914 0.9666 1.5526 0.9726 0.5283 0.6807 1.2567 1.5639 0.9614 1.0392 0.5456 1.3440 0.5845 0.9033 2.5050 0.6313 1.2070 0.4119 0.8610 1.0798 0.8315 0.6381 1.4523 0.8918 1.0089 1.6419 1.3524 0.4391 1.0078 1.1196 0.7713 0.8756 1.2205 1.3237 2.8734 2.1492 1.0709 1.8978 1.1629 1.8689 2.3704 1.6422 1.3513 0.6822 2.7144 1.2261 1.6294 0.9649 0.8846 1.4908 1.7749 4.9143 2.2765 1.6664 0.9930 1.5344 1.2330 0.6292 1.6019 1.5738 0.8287 0.4051 0.7317 1.9774 1.1642 0.9004 1.6748 0.9965 0.5432 10-undecenoate (11:1n1) 2.2144 0.8117 0.9790 0.4422 1.2989 0.9682 0.6081 0.3420 0.9800 0.2487 0.9922 1.1589 0.8964 0.5962 0.7532 1.2764 1.1971 0.4860 0.7076 1.5661 0.7594 0.4541 1.3412 1.2607 1.2361 0.7096 0.4697 1.0948 1.2650 0.9524 1.1259 1.1458 0.7625 0.3951 1.4814 1.5641 0.3284 1.1629 1.0770 2.7507 1.2934 0.5315 0.9964 1.0983 0.7586 0.4716 0.7843 1.2692 1.2367 0.7602 1.4867 0.3157 1.1006 1.5646 0.6082 0.7483 0.8935 1.2144 0.6540 1.3487 1.0677 0.7650 1.5321 1.8073 0.3695 1.1264 0.9037 0.4727 0.5610 0.8531 1.1090 1.2813 1.2053 0.6106 0.9016 0.7943 0.3219 1.1379 1.6133 1.5227 0.8408 1.3420 1.4443 1.0112 1.1941 0.8292 1.3510 0.8569 1.4648 0.7495 0.6396 0.9656 1.5544 0.7558 1.2127 1.0036 1.3243 1.3429 0.4282 0.6768 1.0115 1.0336 1.3208 1.2300 1.9898 0.9315 11beta-hydroxyandrosterone glucuronide 0.6177 10.5405 1.4072 0.1017 1.1031 0.4887 0.8894 0.7815 0.6930 0.7945 1.0807 1.8439 1.6859 1.3562 0.1017 1.4436 0.4328 0.2113 0.9916 0.4797 0.9621 1.2912 0.4580 0.9678 0.1017 1.8257 1.1018 0.4324 1.1375 0.9127 0.6589 0.9967 2.2651 1.5544 0.9450 0.7045 0.6064 1.0226 1.5542 0.6223 0.2577 1.0465 0.4018 0.6521 0.7436 1.2291 1.4061 0.2619 1.0929 1.3511 1.1960 0.8461 0.8737 1.2459 1.2174 1.5073 0.7581 1.8901 0.8030 1.6272 0.8858 2.1407 0.9712 1.6969 0.7450 0.9046 0.9055 1.1407 1.7217 2.4333 2.0283 1.0388 2.4492 0.1017 0.6598 1.0194 1.1907 1.0000 1.9266 1.3843 0.8181 1.3180 1.4408 1.6773 0.8283 1.0764 2.2962 0.6067 1.3033 0.4264 0.6599 1.7993 1.2400 1.4575 0.7800 0.9861 0.8758 0.8653 1.0377 0.6475 0.5439 1.2311 0.5609 0.4975 0.8189 1.1541 12,13-DiHOME 0.5837 0.4790 0.5319 0.9693 0.4251 0.6687 1.5657 1.2678 0.1860 1.3040 0.6296 0.1860 2.2595 0.1860 1.1916 1.6237 0.5385 0.4812 2.4583 0.7838 0.4919 0.8890 1.5104 2.1680 1.0282 1.1264 1.0828 0.5343 0.8584 1.2080 1.8514 0.7784 1.6372 1.0178 0.8764 0.3961 0.3416 1.9459 1.4107 2.0505 2.7355 0.7406 0.7883 0.1860 0.4165 0.3975 0.1860 0.7682 0.3387 2.5132 0.2821 1.1520 1.2877 3.4094 1.0089 2.0727 1.2678 1.2332 0.2488 0.1860 1.0099 0.9991 2.1074 1.0808 1.6205 0.4123 1.1003 0.1860 0.5362 1.2991 0.6092 1.6325 0.9100 0.1860 0.1860 0.6661 2.0311 0.6585 2.2816 1.5190 1.3053 3.0499 0.6197 0.2218 1.0472 0.3512 0.1860 0.1860 1.5005 0.1860 0.1860 0.3004 0.1860 0.6713 0.5076 0.6782 0.6441 0.1860 0.4178 1.0009 0.1860 0.1860 0.5197 0.8485 1.6954 1.3065 13-HODE + 9-HODE 1.0803 1.0014 0.5256 0.9238 1.7259 0.4148 1.4703 0.4529 0.9372 0.6803 0.8758 1.0687 1.5410 1.1326 1.7702 1.4896 1.1498 0.3652 0.3482 0.5112 0.4623 0.8945 0.9198 1.1533 1.2084 0.5390 0.8410 1.1618 0.5258 0.6590 1.8851 0.8681 1.2619 1.1144 1.1571 1.0655 0.9654 0.6045 1.2729 0.4363 1.5725 1.0227 1.2148 1.2879 1.3256 0.9986 0.6979 1.2304 1.2896 0.9206 0.7945 1.8251 0.7775 1.1330 0.8268 1.1582 1.0403 2.0506 0.4706 1.3170 1.2936 0.8311 1.5509 1.1901 0.2760 1.0363 0.9475 1.2328 0.6150 0.2593 1.1449 1.2994 0.9176 0.7376 0.4364 0.5543 1.4708 0.2131 0.9471 1.9610 0.7978 0.6722 1.3141 0.3138 1.0058 0.2151 1.1030 1.2800 0.6172 1.1984 1.4978 1.1709 1.0581 0.9372 1.0491 1.5956 0.5155 0.8080 0.3675 0.5777 1.2076 0.2714 0.9407 0.9260 1.2283 0.7956 14-HDoHE/17-HDoHE 0.4596 0.5274 0.2100 0.6640 1.9591 0.2100 0.6002 0.2100 0.2100 0.2100 0.2100 0.3285 0.2100 0.2100 0.4763 0.4827 0.2100 0.2100 0.4345 3.0940 0.4965 0.8271 0.2100 0.3562 1.1468 0.7933 0.2100 0.5465 0.2100 0.2100 2.0006 1.3743 0.3157 0.3350 0.2100 1.0069 0.2100 0.5437 0.2100 0.2100 0.8704 0.5686 1.2926 0.5056 0.8234 0.2100 0.2100 0.4277 0.6410 0.2664 0.5178 2.3341 0.2100 1.4533 0.2100 0.2100 0.7409 0.2100 0.2100 0.2100 0.2100 0.2873 1.8972 0.7528 1.0474 1.7494 1.0525 1.7545 0.8425 0.2100 0.5804 2.5623 0.3938 0.5875 2.1662 2.6490 0.2100 2.1802 2.2448 1.4327 0.5541 1.6540 1.7126 1.6484 1.0382 1.1298 2.8629 1.8492 4.3278 1.7094 2.0194 0.9931 0.9885 0.7134 1.3240 0.9572 1.1395 2.0285 1.8480 0.8261 0.7414 2.2092 1.6239 2.2940 2.0792 1.1515 16-hydroxypalmitate 1.0253 1.1258 0.9306 0.6503 2.7535 1.1096 1.2020 0.3004 1.0279 0.8696 0.9571 0.9743 0.8703 1.1736 2.1856 1.2144 1.3044 1.0486 0.4160 0.7941 1.0616 0.7750 0.9163 1.3045 0.7088 0.9023 1.1840 0.7959 1.4673 1.8397 1.0252 0.9570 0.6917 1.4244 0.6571 0.8521 0.8894 0.8128 0.9289 1.3397 0.9102 1.0900 1.0309 1.7744 2.2522 0.9867 1.0927 0.8716 1.8324 0.8996 1.3559 5.1592 1.0291 0.7032 0.4559 0.9778 0.9371 0.9390 1.0389 0.7275 0.8957 0.9100 1.8782 1.4502 0.7092 1.0581 0.8018 0.5934 0.9685 1.3501 1.4605 1.2874 1.8963 0.8998 1.4665 0.8871 2.2383 1.8985 1.1017 1.4929 0.8453 3.9411 1.3033 0.9386 0.8364 0.9559 1.3085 1.7862 1.1675 0.9886 2.2224 1.3466 0.8692 1.2314 0.7153 1.7301 1.6335 0.8844 0.7281 1.0114 1.3309 0.9402 0.8124 0.9596 0.7782 0.8437 16a-hydroxy DHEA 3-sulfate 1.0000 4.1734 3.1275 0.1093 1.6208 0.5096 0.7025 1.3805 0.6577 1.1236 0.2827 3.2047 0.8814 1.2057 0.5262 1.7227 2.6349 0.0892 1.4979 0.5681 0.8744 6.4737 5.4970 0.5266 3.1419 1.0990 5.6071 0.4056 0.4208 1.3949 0.4407 0.2696 2.9686 0.2733 0.7200 1.0133 0.4287 1.1867 2.1075 1.5759 0.1263 0.3027 0.8916 1.5402 2.4033 0.1701 2.7145 0.3062 8.5716 2.3107 1.1705 0.0881 0.1777 0.2432 1.1951 1.7673 2.2096 5.4936 1.5668 0.5216 0.9140 1.1315 4.3339 1.3287 0.1991 0.3461 0.7724 0.1204 2.4191 1.6873 0.9081 0.1109 5.0405 0.0881 1.0773 0.4096 0.1183 0.3993 0.6683 3.3533 0.6554 0.8661 0.2670 1.2135 2.0069 1.0153 3.6951 0.5821 0.8890 0.0959 1.2946 1.3262 1.4654 1.6054 1.0292 0.8174 1.8422 0.7293 1.0762 0.2031 0.6065 0.5380 0.5358 0.4710 0.9053 1.3089 1H-indole-7-acetic acid 0.8346 2.8864 1.8860 0.2992 0.2992 0.3610 1.0032 1.4119 0.3501 1.0810 1.9882 1.0296 0.8223 0.5384 1.0058 1.6573 0.2992 1.6708 1.7394 0.3457 1.1547 0.7146 0.3424 1.3981 0.2992 1.0106 0.8560 1.6222 1.6119 0.6896 0.7642 1.3995 1.8574 1.2916 0.8286 1.8863 0.6754 2.4317 2.6169 1.1650 0.2992 0.6995 1.2734 0.6656 0.2992 0.7666 0.2992 0.4174 0.9596 1.6689 0.2992 0.2992 0.7519 1.3240 1.1919 0.2992 1.2767 2.0228 0.2992 1.0819 0.7927 1.6675 0.5536 0.6562 1.3656 0.3374 0.8172 0.3289 1.5429 1.2292 0.6109 0.5465 0.2992 0.7619 0.7885 0.2992 0.2992 1.2065 0.8563 0.3398 0.6445 0.5274 0.6904 0.7025 0.2992 0.7586 1.1594 0.2992 0.2992 0.4833 1.2322 0.2992 0.2992 1.1633 0.2992 1.3399 0.9656 1.0658 0.4618 0.5622 1.0101 0.6474 0.7467 1.0236 1.3885 1.0000 2'-deoxyuridine 1.9198 0.5195 0.5195 1.4897 1.5812 0.8553 0.8299 0.7011 1.3627 0.6781 0.5195 1.2508 1.0540 0.5195 1.2374 0.5195 0.7071 0.5195 0.7996 0.8967 0.5195 1.3583 0.8941 0.7671 0.9170 0.7129 0.6976 1.3321 0.5195 0.7844 0.5195 1.4514 0.5195 1.5645 0.5195 0.5195 0.6991 0.6823 0.6496 1.5916 1.8252 0.6611 0.6646 1.5750 0.7907 0.9517 1.4752 0.5195 1.0187 1.3268 0.9628 0.9508 0.5322 0.7515 0.8993 1.1064 1.3934 1.0046 1.3995 1.0159 0.5195 1.0213 0.9634 1.1663 0.9143 0.9954 1.4009 0.5195 1.2859 1.0760 1.2346 0.7661 0.5195 0.6741 0.5195 0.5195 0.9800 0.5195 0.9884 1.1107 0.6893 1.1255 1.3136 0.5195 0.9399 1.1331 1.0581 0.5195 0.5195 0.5195 0.5195 1.4547 0.5195 1.0318 0.7528 1.2713 0.5195 0.8597 1.3663 2.1998 1.5867 1.7133 0.8537 0.5195 0.6399 0.8827 2'-O-methylcytidine 1.5807 1.2618 1.1584 1.5032 1.4657 1.0173 0.4139 1.1267 0.9137 0.5830 0.8351 0.7532 0.7089 0.9690 0.8900 0.6129 0.6354 1.0037 1.1551 1.1507 0.5967 1.2046 1.0754 0.8085 0.9325 1.2742 1.1198 0.7026 1.6821 0.7015 1.2163 0.9736 0.9894 1.7213 0.8102 0.6910 0.8484 0.4139 0.4139 0.6911 0.7319 0.9965 0.7797 1.0287 1.2314 0.4139 0.6809 1.1817 1.3053 1.0181 1.2479 1.1696 1.0035 1.2093 0.9449 0.8071 0.6920 0.6991 0.9325 1.4753 0.8424 0.8013 1.0879 0.5295 1.4955 1.3371 1.0088 0.5963 1.3433 0.7782 1.7254 1.0796 1.9734 0.4139 0.9832 2.1195 0.4139 1.5030 1.2093 0.8824 0.9423 0.4139 0.9651 1.7963 1.0669 0.8063 1.2403 0.7239 1.3134 0.8847 0.9399 0.7083 0.7824 1.2046 0.8632 0.6017 1.0849 1.1013 0.7602 1.5656 0.8001 0.9951 1.3406 1.1195 1.7229 1.8308 2'-O-methyluridine 1.1261 1.5873 1.0637 1.1064 0.6767 1.1184 0.5367 1.1320 0.8081 0.7373 0.4514 0.4514 0.6164 0.8367 0.8137 0.8298 1.0506 1.0304 1.1754 0.8880 0.4514 0.9974 1.0711 0.4514 0.4514 1.0015 1.0734 0.9990 1.5118 0.8645 0.8752 1.0010 23.3334 1.7695 0.9717 0.5588 0.4514 0.4514 0.4981 0.8232 0.9129 0.4514 0.4514 0.9301 24.4569 15.9329 0.7408 1.1053 1.1104 0.8403 1.0317 1.1783 1.4228 0.4514 0.6098 0.4653 0.8601 0.4514 0.8321 1.1698 0.8919 0.4514 0.7228 0.9787 1.1232 0.9268 0.4514 0.7537 1.0663 0.4944 1.6685 0.9321 2.0339 0.8579 0.8777 1.4991 0.4514 1.0976 9.3293 0.4514 0.5437 1.8895 0.6942 1.2418 1.0264 0.4514 1.2970 0.8244 22.0745 1.1401 0.8852 0.7710 0.6056 1.4030 0.9562 0.8813 1.2069 1.3390 0.4514 1.4386 0.7776 1.4648 0.9303 9.2203 1.1755 1.6720 2,3-dihydroxy-2-methylbutyrate 0.9031 3.6698 1.1989 1.4149 0.4961 0.5454 0.7041 0.4547 0.5210 1.3335 1.3416 1.0486 0.7795 2.3964 1.6272 1.1851 1.9701 1.0798 0.9194 1.2160 1.0073 0.6301 0.9427 0.5697 1.2170 0.6235 0.6653 0.7207 1.4591 0.4154 1.4896 0.6754 1.1117 2.4078 1.1889 1.0290 2.2051 1.2935 1.8056 0.4950 0.7304 1.3567 0.9440 0.4186 0.3500 2.3224 0.7976 1.1243 0.2647 0.9065 0.5336 1.4155 1.0496 0.8507 0.8681 0.6597 0.5057 1.7907 2.1064 1.0480 0.5163 0.9948 1.0300 0.2656 0.8146 1.2299 0.7578 2.1358 1.2956 1.8378 1.4784 1.1175 2.1192 0.6702 0.6458 0.9530 1.3019 1.4679 0.7019 0.2647 0.3427 1.0438 0.5320 2.0789 1.0000 0.2875 0.2647 0.2647 0.8918 3.7443 2.0913 1.6230 0.4688 0.6459 0.2647 0.4640 0.7253 0.9129 0.5363 0.5666 1.0539 0.2647 1.2249 0.4443 1.0316 1.6509 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 1.0500 1.7030 1.0377 0.8171 0.8526 0.8584 0.7124 0.9155 0.9011 1.2346 1.0282 1.2177 1.3936 1.0091 1.0002 1.1899 1.1641 1.0982 1.1267 0.9589 0.9156 1.1917 1.1635 0.8788 0.9585 1.0198 1.0978 0.7862 0.1846 0.8843 0.8371 1.0180 1.1513 1.8162 0.9833 0.8043 0.8982 0.9790 1.1842 0.9958 0.6313 0.9771 0.8883 0.7885 1.2976 0.9161 0.9294 1.1185 0.9998 1.4285 0.9439 1.3168 1.0954 0.8329 1.1080 0.9218 0.7384 1.4269 1.1430 1.1871 0.9902 0.8985 1.1329 0.8140 1.3057 1.2817 0.9959 1.3670 1.7765 1.3981 1.3022 1.4645 1.9005 0.6819 0.9376 1.1974 0.5711 1.2906 1.0237 0.7582 0.9567 0.9886 1.0212 1.3588 0.7560 0.6321 0.9720 0.5714 0.6904 1.7567 1.4585 1.2414 0.9730 0.7356 0.9566 1.0612 1.0099 1.1091 0.8068 0.9141 1.1327 0.6640 0.8266 0.8071 1.4954 1.0607 2,3-dihydroxyisovalerate 1.2780 1.2920 0.4115 2.9872 2.2876 0.8901 5.2728 0.4462 1.5860 1.4611 1.2569 1.5152 0.9308 0.2650 1.2349 0.9897 0.3434 0.6984 2.9898 1.4955 0.3367 1.9088 0.3158 1.1601 0.5199 8.6129 0.9823 2.0174 0.2244 0.9042 9.5056 0.9333 0.5617 9.7292 1.1621 3.7131 0.3410 1.2151 17.3487 0.6753 0.1126 0.3563 0.6078 7.8544 7.5195 36.4883 0.3569 9.1057 0.1939 2.5058 0.8681 0.9613 0.6210 5.5203 1.5229 0.2368 0.1126 17.1610 1.9566 3.2752 5.9784 0.3118 1.0760 4.9236 1.2419 0.3494 0.6056 0.8097 0.8778 1.5063 0.4791 1.0000 0.7524 0.1814 0.5247 0.5854 13.5016 5.8383 0.2628 0.1885 0.9417 2.4701 6.3633 0.5373 0.3738 0.2828 0.3239 3.0709 0.6814 2.8598 42.4362 0.7157 0.2037 0.3023 3.2392 1.0038 0.6722 4.1877 5.4627 11.9638 2.1731 0.9981 4.7984 2.6044 0.9678 0.4130 2,6-dihydroxybenzoic acid 1.6904 2.8601 1.1367 2.8182 2.2549 0.8695 2.9260 3.4100 1.1221 0.3274 3.5522 1.1794 5.6551 0.6190 1.4020 0.6951 1.0304 1.2512 2.2762 1.0342 0.7058 0.9787 2.8759 1.4467 0.7822 0.9598 1.0544 0.2190 0.9955 0.7328 2.4213 1.8506 0.5228 2.2711 0.9528 0.5434 0.8393 1.6304 1.2683 0.2310 0.7815 2.8626 1.3874 0.5545 3.7100 2.1636 0.5170 1.0249 0.6493 0.5150 0.7619 3.4438 1.2219 1.1453 1.4140 0.5495 0.2263 4.6831 1.0792 1.2601 0.8272 0.7564 1.0045 0.7748 0.9844 1.1902 1.7081 0.8597 0.7249 3.9792 1.1982 0.4237 0.7954 0.2976 0.6801 0.8757 0.6831 1.0378 0.9602 0.6249 0.3167 0.5947 0.4964 1.5264 0.4806 0.2267 0.3111 1.3987 0.2418 1.6482 0.5655 4.0728 0.1239 0.5093 1.6939 0.4077 0.7175 0.4613 1.1969 1.7586 0.6049 0.9218 1.5069 2.1803 1.9258 2.3299 2-acetamidophenol sulfate 1.4617 0.2319 1.4149 3.3483 3.4796 0.5624 1.5076 1.3396 3.3717 0.2939 2.0944 0.8460 8.3639 0.5948 0.2117 0.1158 0.5769 8.0144 0.7268 1.7200 0.7450 1.6022 1.1412 1.9181 0.2448 0.9523 0.9882 0.8926 0.6800 0.6091 2.8140 1.1896 0.4296 3.0297 0.7285 0.2614 0.1351 1.3609 0.8464 0.1158 1.4063 1.7114 1.0118 0.1158 1.6103 0.4387 1.6904 1.0289 0.1158 0.5551 0.3201 1.8134 2.5522 2.0205 4.3334 0.7410 0.3601 1.6412 0.9029 2.0770 0.5135 0.2551 0.1158 1.4097 0.4914 2.2359 1.1503 0.1158 0.4071 1.8062 1.0295 0.8498 0.1994 0.8347 0.4819 0.1158 0.2599 0.2457 1.2627 0.1158 0.9685 1.8189 0.6440 2.8451 0.4040 0.4137 0.1158 0.7024 0.1158 1.0200 0.4777 2.4051 0.1158 0.4134 1.1851 0.5141 0.3170 0.2463 3.2198 2.6775 1.5780 1.1233 2.6941 0.4411 2.8064 1.0600 2-aminoadipate 1.1462 1.0868 1.1846 1.0105 1.2838 0.8697 0.4998 1.0322 0.9285 0.4652 0.8744 0.7877 2.1967 0.4637 1.0486 0.4381 0.8784 1.3069 2.4480 0.9907 1.1542 0.8695 1.4394 1.3424 1.0742 1.1720 0.7082 1.0093 0.9154 1.4668 0.9130 1.0734 1.3622 0.9141 1.1572 0.8862 1.1831 0.4954 0.8623 1.1714 0.6372 0.9021 2.3816 0.8280 0.7251 1.5042 2.1152 0.6867 0.5846 1.4647 0.9882 2.3695 0.8084 0.8237 1.3248 1.1385 0.6546 1.7731 1.4533 1.5539 1.0486 1.6642 1.3254 0.9589 0.6648 1.0917 1.6448 1.2254 0.8713 1.0784 1.2685 0.6537 0.6625 1.6268 1.6529 0.5399 0.6341 0.9291 2.1887 0.3031 0.6345 0.9167 1.0980 1.2795 0.9268 0.9344 1.4435 0.5842 1.4039 1.0660 1.0890 1.2724 1.0842 1.8097 1.1868 0.9663 0.5179 0.6760 0.5970 0.5997 0.6763 0.3958 0.4872 0.5857 0.5488 0.8029 2-aminobutyrate 1.3009 1.1123 1.4088 1.0244 1.5308 0.8649 0.7930 0.7839 1.1229 0.4526 1.0581 0.6986 1.1609 0.5717 0.9196 0.6027 0.5628 0.8225 1.3345 0.8440 0.9854 0.7493 1.3823 0.6402 1.1590 0.9505 0.6260 1.0750 0.6935 0.9649 1.0705 1.0775 0.9072 0.4940 1.3260 0.5716 0.6481 1.0119 0.9222 1.6547 1.0341 0.9775 0.9334 1.4893 0.7892 1.2044 1.4693 0.8062 0.6115 0.7159 1.2320 0.9653 1.0536 1.0704 0.7235 1.1596 0.6561 1.4166 0.9594 1.1607 1.1865 0.9011 1.1911 1.2659 0.7881 1.3695 0.8929 0.8836 1.0509 0.7325 1.4394 0.9362 0.9471 1.3798 1.3903 0.9517 1.1503 1.5411 1.2540 0.4381 0.8530 1.6682 0.9881 1.4349 1.4013 0.7269 1.5755 0.8064 1.4990 1.1864 0.9850 1.2386 1.9016 1.1962 1.6401 0.7517 0.9152 1.3742 0.5910 0.9235 1.3642 0.7620 1.5246 1.1344 1.0729 0.7652 2-aminoheptanoate 1.4339 1.5875 0.9884 1.1447 0.9474 0.9703 1.0063 0.7863 1.1303 1.1080 1.1935 1.0467 2.0393 1.1162 0.9554 1.4695 1.0312 0.8879 0.7692 1.0422 1.2971 1.5587 1.2939 0.5654 0.8092 1.1109 1.0467 0.5975 1.1732 1.0462 0.9119 0.6405 0.8797 2.3855 0.8262 1.7878 3.3262 0.8802 1.6456 0.4002 0.5664 0.9605 0.5140 0.5671 1.5977 0.6950 0.7076 0.7088 0.7001 0.7202 0.7950 0.7420 1.1513 1.1543 2.7890 0.8224 1.0800 0.9763 1.0098 1.8370 0.8555 0.9266 0.7339 1.2132 1.1121 1.3562 1.1924 1.2177 0.7146 1.6973 1.0882 2.0287 1.6850 1.3350 0.7998 1.2533 0.6194 1.1281 1.0496 1.0857 1.2381 1.1584 0.7060 1.1753 0.8212 0.4963 0.7933 0.9382 0.4751 2.4613 0.7796 1.6005 0.5774 0.9496 1.3898 0.5447 2.4988 0.9783 0.7921 0.9937 1.2420 0.9649 0.8648 0.6190 0.9851 0.6073 2-aminooctanoate 2.6292 1.6325 0.3936 0.6600 1.6284 1.5228 0.6159 0.4135 1.0839 0.8273 0.7319 0.9844 1.8085 0.8919 0.8005 0.9925 2.2355 0.4945 1.6074 0.9105 1.6766 1.1407 1.2887 0.9318 0.5867 0.8280 0.7567 0.6013 1.2947 0.6452 0.7329 0.5786 0.3341 2.1375 1.1747 0.2834 1.7657 1.6104 1.7045 1.1895 2.6711 0.2065 0.5160 0.8377 0.8687 0.2065 1.2127 2.0012 1.1091 0.6188 1.1077 0.2168 1.7073 1.5691 0.8974 0.9946 1.2495 0.7031 2.1508 1.1555 1.4478 0.4095 0.8519 1.2903 0.7026 1.2545 1.2322 0.8594 0.8688 0.3264 1.1748 1.4565 0.9369 1.4561 0.3570 1.6816 0.6072 1.6168 0.5889 1.9911 1.2248 0.8859 1.1236 0.8198 1.3796 0.7584 0.2065 0.5056 0.4635 1.0184 0.6357 1.0771 1.1313 0.6499 3.9312 0.5709 0.7978 1.9280 1.0054 3.2076 1.7685 0.9686 1.1117 1.1973 1.2661 0.6193 2-aminophenol sulfate 1.7374 2.8561 1.3342 4.6834 3.2270 0.4780 1.8505 1.8942 2.3323 0.3061 2.6641 1.3600 6.8758 0.8090 0.5015 0.4865 0.6039 3.4574 1.1381 0.9204 0.9841 2.0919 1.5731 1.2800 0.4676 1.0539 1.3838 0.9848 1.1639 0.3512 2.0428 1.5977 0.5911 2.8285 1.4362 0.2599 0.1562 2.2267 1.3027 0.0878 0.9321 1.7562 0.8700 0.0826 2.6480 0.8205 1.1111 0.9815 0.3939 0.5943 1.0305 2.1520 2.5133 1.3045 2.1046 0.8820 0.5101 1.4852 0.6167 2.3923 0.8628 0.3675 0.2423 1.7912 0.7081 3.8453 1.2508 0.5149 0.7510 4.1019 1.0000 0.5973 0.4602 0.5421 0.9026 0.4223 0.5387 0.8190 1.2147 0.4105 0.7738 3.2406 0.6321 4.2246 0.4461 0.6953 0.2864 1.0495 0.0922 0.9968 0.6134 3.8178 0.0826 0.5682 2.0973 0.4446 0.9388 0.5108 1.9173 1.8240 1.7031 1.0513 1.8574 0.8621 2.4305 1.3942 2-arachidonoylglycerol (20:4) 0.5401 1.2547 0.3091 0.1763 0.1763 1.1125 1.4125 1.2357 1.3493 1.1827 0.3398 0.1763 0.1763 0.1763 0.5340 0.7365 1.5614 0.5661 0.3215 0.3477 2.4530 0.9576 0.1763 0.7181 0.5334 0.1763 2.0516 1.7736 0.5201 0.8631 0.6162 1.3922 1.5895 0.7844 0.8270 0.1763 0.1763 2.2501 1.0255 0.1763 0.9642 0.7323 0.1763 0.4239 2.5167 0.2511 0.5798 2.4520 2.5415 0.1763 0.6071 0.6094 6.2504 0.7642 1.4496 1.1805 3.9467 0.6080 0.1763 1.7621 0.5288 0.5573 1.1035 1.1982 0.9132 1.1783 1.6466 1.2590 3.6666 0.1763 0.1763 3.6048 0.3813 0.1763 0.1763 2.2329 0.1763 1.5711 0.8961 3.2560 1.0379 1.1315 1.0961 0.2089 0.3282 0.7414 0.5887 0.1763 2.1161 0.1763 0.9337 1.8397 1.2704 0.1763 1.1747 0.9745 0.7068 0.5871 1.5702 0.6216 0.9118 1.1564 0.8428 2.0980 0.9176 1.3379 2-ethylphenylsulfate 0.1456 3.8723 2.5957 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 17.7489 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.2169 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.2035 0.1456 1.4203 0.1456 0.1456 0.1456 2.2561 0.1456 1.1777 0.1456 1.4240 0.1456 1.9752 0.1456 0.6572 0.1456 0.1456 0.3292 0.1456 0.1616 0.1456 1.6674 0.1456 0.1456 0.1456 0.1456 0.1456 0.4146 0.9022 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.4513 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.2717 0.1456 0.1456 0.1456 0.1456 0.1456 1.7318 1.0978 0.6854 0.1456 0.1456 0.1456 2.2274 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.1456 0.4727 0.1456 0.1456 2-hydroxy-3-methylvalerate 0.4107 0.2439 0.4185 1.0120 1.9401 0.4857 0.5506 1.2282 1.0298 0.7061 1.4347 0.7859 1.6002 0.5859 0.6396 0.6321 0.4671 0.8356 1.4164 1.3825 0.7937 0.7942 0.7394 1.4154 1.5703 1.0833 1.0526 1.1464 0.5238 1.4591 1.5824 0.9926 1.3272 1.4334 2.6196 3.4115 0.9780 0.4220 1.5408 0.8638 0.4585 1.4988 1.1438 1.4706 2.7357 2.5147 0.8700 0.6755 0.4719 1.2802 0.7808 11.1324 0.2373 0.9881 0.6880 0.9235 0.6692 2.3138 1.4472 1.4321 2.4973 0.8709 1.0880 1.2520 0.5942 1.4186 0.9683 0.8598 0.5363 2.3154 5.7736 0.8460 0.7342 0.9531 1.0446 0.3789 2.2690 0.7497 1.8117 0.2333 0.8300 2.2215 0.4456 1.0173 0.9985 0.5701 5.5866 3.7254 1.0015 1.4590 1.9920 1.0341 0.9912 1.0112 1.7228 0.7652 0.9209 1.4525 1.2150 1.4569 0.5573 0.9505 1.0989 0.6406 0.9030 0.7776 2-hydroxy-4-(methylthio)butanoic acid 0.8959 0.7896 1.4326 0.7937 0.8868 1.0741 0.5996 0.9115 0.7986 1.2140 1.0195 0.6073 3.6834 0.8384 0.7071 0.5179 0.7802 1.6283 1.9934 2.4242 0.8423 1.6177 1.0443 1.3559 1.2711 1.2103 0.9453 1.1377 0.3756 1.2945 1.1856 0.9246 1.2697 1.8053 2.0189 2.9815 1.1671 0.8894 0.8926 0.8094 0.5576 1.1262 0.8538 1.0979 1.1367 1.0990 0.9025 0.6773 0.8814 1.8854 0.8699 2.4133 0.4674 1.0935 0.6879 0.8386 1.1775 0.9463 1.6383 1.0771 4.4713 0.8751 0.6979 1.0626 1.0584 2.6348 1.3035 0.9868 0.5739 0.9883 2.8484 1.0203 1.5420 1.1756 1.2525 0.4507 0.9741 0.5632 1.4697 0.5083 0.8476 1.2451 0.4975 0.6890 0.8254 0.7501 2.0184 1.3223 0.6684 1.1590 0.8487 0.5373 0.5646 1.1651 1.5357 0.5978 0.9795 1.1761 4.3785 1.6166 0.4556 1.0117 0.8243 0.4849 0.9254 1.2529 2-hydroxyacetaminophen sulfate* 0.0024 0.0168 0.0080 0.0024 0.0024 1.2169 0.0827 2.5860 0.0138 0.0024 0.0024 0.0024 0.0024 0.0024 1.3521 0.0024 3.7164 5.0586 0.0024 0.0024 0.0070 0.0024 0.0043 0.0024 0.9367 1.0491 0.0024 0.0024 3.5692 4.5976 2.1175 0.0024 0.0024 0.0250 0.9509 0.0024 2.7360 0.0040 0.0024 0.0024 0.0342 0.0024 0.0024 0.0024 3.0769 1.1476 0.0024 0.0024 0.0024 0.0024 0.0024 2.7909 0.9496 0.0024 0.1612 0.0024 0.0024 0.0024 1.9828 0.0024 0.0033 0.6626 0.0024 0.0024 0.0024 2.2542 0.0024 7.6076 0.0024 0.1048 1.7363 7.6587 0.0024 2.0061 0.0024 3.5682 0.0024 0.0024 0.2447 0.8675 1.5219 0.2503 0.3624 0.0024 0.0024 0.0024 0.0024 0.0024 1.1284 3.8938 0.0024 0.0024 0.0024 0.0024 0.0024 0.0139 1.6924 0.0024 0.0024 0.0024 0.0024 0.0096 0.1279 1.5402 0.0111 0.0024 2-hydroxyadipate 0.2839 1.0822 1.0403 6.2432 0.7811 0.2839 0.2839 0.6668 0.2839 0.2839 1.2212 0.2839 1.4927 0.2839 0.9233 1.3344 0.7269 0.2839 4.0102 0.5197 0.6149 0.2839 0.5706 0.2839 0.2839 0.7562 0.2839 4.2379 0.2839 0.9925 0.2839 0.2839 0.2839 0.6531 0.2839 4.8086 0.2839 0.2839 1.0075 0.5537 0.2839 5.7345 0.6710 0.2839 0.2839 1.0528 3.7094 0.2839 0.2839 4.1771 0.8761 4.7124 0.2839 0.8108 0.2839 0.2839 0.2839 6.6976 0.9736 1.2082 1.1475 0.8769 0.2839 0.2839 0.5739 5.1844 0.8263 5.8005 0.9549 0.6681 1.3272 0.2839 0.2839 0.2839 0.2839 0.2839 0.6336 0.2839 3.7860 0.2839 0.2839 0.2839 0.2839 0.7157 0.2839 0.2839 0.8809 0.2839 0.2839 4.6641 4.4832 0.2839 0.2839 0.5088 0.2839 0.2839 0.2839 0.2839 0.2839 0.2839 3.6598 0.2839 0.2839 0.2839 0.2839 0.2839 2-hydroxybutyrate/2-hydroxyisobutyrate 0.8848 1.1393 0.9911 0.6607 2.4486 0.8120 0.8460 0.5141 0.7663 0.3090 1.1108 0.6341 2.6412 0.6609 1.3184 0.4290 0.6606 0.5945 1.0010 0.8142 0.7719 0.5615 0.9609 1.0327 1.4149 0.9965 0.4716 1.0546 0.5368 1.0070 1.0898 0.9880 1.3439 0.3620 1.4689 0.7455 0.9200 0.9014 1.0622 1.9490 0.5565 1.5611 0.8478 1.5147 1.0196 1.5621 1.7301 0.5853 0.5086 0.7050 1.0455 3.2787 0.6831 0.9014 0.7994 0.8415 0.4271 1.9929 1.0921 1.1719 0.7649 1.5944 1.8608 0.9465 0.5945 1.1494 1.0512 1.2593 1.0549 1.2312 2.4521 0.6496 1.2518 1.8670 1.8918 0.9015 2.7047 1.3836 1.5611 0.4601 0.4637 1.3491 0.9990 1.4717 1.7387 1.2320 2.2441 1.2541 1.0251 1.5850 1.3845 1.1195 2.0497 1.7893 1.3915 0.8289 0.6833 1.1698 0.4231 0.6128 0.9504 0.7224 0.8670 0.9443 0.8011 0.4407 2-hydroxydecanoate 1.5571 1.4219 1.1476 2.8180 0.6768 1.3988 1.9352 1.2859 0.7748 0.4898 1.4141 0.8186 3.6561 0.5311 0.6441 0.8278 0.7588 1.2784 1.3352 3.6576 1.0248 1.2271 2.4802 2.7057 1.8636 1.0465 1.2492 1.5517 0.9107 1.2159 2.3662 1.4507 0.6030 1.1181 1.0394 0.8210 2.0749 1.7719 1.0985 0.9383 1.9550 1.1741 0.7336 0.5858 0.6979 0.5833 1.3156 1.0580 1.0383 0.3609 0.6926 0.4404 0.8901 3.0885 0.7309 0.8603 0.4332 2.6591 0.8937 1.5969 1.7127 0.4629 0.8634 0.6983 1.3843 2.1322 0.6178 1.5711 0.4788 0.7311 0.8145 1.6416 0.8581 0.6746 0.6559 0.9221 1.0763 0.8659 1.1203 1.7117 0.9752 1.2720 0.7844 0.5198 1.0406 0.6233 0.4834 0.6849 0.7680 0.6104 0.8109 0.7621 0.5123 1.4326 1.1318 0.9121 6.1364 0.7962 0.9638 1.6604 1.0290 0.9686 1.0730 0.9230 1.4537 0.9210 2-hydroxyglutarate 1.1824 1.0404 0.5889 1.0924 1.3964 0.6924 1.5783 0.8402 0.6389 0.8933 1.2234 1.1115 1.1566 0.9142 1.2273 0.9615 0.5519 1.3068 1.2049 1.0979 1.0876 0.4638 0.9088 0.9861 0.8374 0.8971 0.8985 1.2267 0.5400 0.5280 1.4279 1.0226 1.0484 0.6135 0.4201 0.7536 1.1562 0.5931 2.0434 0.9546 0.6487 1.1897 1.2296 0.4859 1.0907 0.9764 0.8203 1.3394 0.8149 0.7427 0.6877 1.4007 0.8996 0.6185 1.1664 0.6971 0.6523 2.4782 0.7765 1.7519 1.1374 1.3184 1.0401 0.9099 1.4003 2.0540 1.4980 1.5866 0.7866 1.3166 1.0799 0.8870 1.2871 1.0008 0.7883 0.9813 2.5475 0.9670 0.6459 1.0870 0.9413 0.9984 1.6231 1.2759 0.8837 1.5250 0.8511 0.7719 0.9134 1.0942 0.6106 0.7664 1.3422 1.2973 1.1161 0.9992 0.6898 0.7729 1.3611 1.8917 1.1141 0.6842 1.5334 1.4652 1.0086 0.9427 2-hydroxyhippurate (salicylurate) 0.6766 131.8607 130.5532 173.9084 0.6072 0.7943 52.9657 120.2496 0.1377 263.3305 0.7817 73.1840 171.6148 212.5637 121.3424 249.2233 113.5564 0.5551 135.2030 0.6330 105.0489 1.0352 71.0489 0.3295 0.9843 0.7204 1.3707 0.2785 168.6516 0.4934 85.2588 130.9305 0.5188 300.5809 81.6710 155.1639 95.1642 85.5910 0.7236 0.6173 0.2056 87.9134 1.4469 0.2571 80.4742 98.8605 64.8486 0.3065 116.7976 97.1111 1.0157 0.6499 0.5139 106.4125 241.9623 106.4191 87.3438 0.7936 0.9167 241.3468 0.8257 0.6291 1.5707 0.4961 1.2780 0.5111 1.1787 318.9065 12.5551 4.2522 0.5714 0.5799 2.7681 0.8593 0.6305 1.9172 0.3385 3.2536 0.3327 0.1679 0.2550 0.7425 0.8358 3.1303 0.5638 0.6362 0.4865 3.8618 0.6490 4.4686 0.1923 1.2205 0.3314 0.2773 0.5843 0.8701 0.1888 1.3954 0.4186 0.8739 1.7457 0.5250 0.5094 0.6261 0.8568 0.4234 2-hydroxyibuprofen 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 9.0325 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 10.6648 5.2678 0.0309 0.0309 0.0309 0.0309 0.0309 0.0666 0.0309 0.0309 0.2618 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 0.8645 0.0309 0.0309 0.0309 0.0309 1.1355 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 10.6566 0.0309 0.0309 0.1058 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.0309 0.2690 0.0309 4.0984 0.0309 0.0309 2-hydroxylaurate 1.3484 0.8254 0.7051 1.1524 1.2524 0.6618 0.8129 1.2854 0.8820 0.7199 0.9377 0.9698 1.4950 0.4598 0.4598 0.8361 0.4598 0.7021 1.2436 1.2665 1.1224 1.5067 0.9785 1.1536 1.1588 0.9830 0.7577 1.1965 1.0640 0.9859 1.5837 0.7546 0.7875 0.8111 1.1864 0.8720 2.7717 1.0715 1.1407 0.8206 0.7226 0.8267 0.9393 0.7099 0.8353 0.9678 1.1292 0.7997 0.6682 0.5369 1.2133 0.9250 0.7066 1.3763 0.6699 0.9587 1.2933 1.0804 1.9380 1.0912 1.7527 0.7740 0.6739 1.9852 1.3411 1.2322 1.0700 2.6844 0.5455 1.2551 1.3387 0.9665 1.3074 0.8378 1.3249 0.7278 1.0584 1.1643 0.9782 0.5583 0.8527 1.2386 1.1872 0.7110 1.0141 0.6797 1.4977 1.0810 0.6201 0.7080 1.1302 1.1569 0.8160 0.8025 1.6040 1.3768 1.7624 0.8548 0.6580 2.0467 1.0874 1.2539 1.3079 0.8194 1.2125 0.6411 2-hydroxynervonate* 0.7076 1.4448 1.0028 1.0274 1.4481 1.3176 0.7510 0.6468 0.6560 0.6758 1.2581 1.2252 1.4657 1.2372 0.9833 0.7476 0.7348 0.8148 0.7904 1.1355 0.9093 0.7186 0.6596 1.0101 1.3296 0.6875 0.5272 1.0392 0.5923 0.8919 1.5486 0.7078 0.6904 0.8461 0.8830 1.2833 0.5145 1.0446 0.9564 1.4726 1.0043 0.9013 1.1538 0.8851 1.3095 1.0090 1.0566 0.6912 1.0580 0.8639 0.9617 1.4334 1.1393 1.5714 0.6657 1.0528 0.9186 1.3537 0.7514 1.4649 1.0058 1.3076 1.2262 1.1991 0.8229 1.2740 0.9467 1.2999 0.9066 0.9562 1.7046 1.9975 1.4621 1.1752 0.9465 1.4380 2.2355 1.6235 0.9972 1.1904 0.9212 0.8993 0.8190 1.0206 0.9967 0.7479 0.6778 0.8379 3.9971 2.5721 1.4871 0.7291 1.1238 0.9447 1.3322 0.6675 0.7588 0.6185 0.7380 0.8373 1.4722 0.9754 1.1234 1.1710 1.0189 0.8863 2-hydroxyoctanoate 1.3694 1.3571 0.8164 0.9269 0.6300 1.1701 0.7381 0.7601 0.9675 0.5374 0.9013 0.9367 1.5486 1.6514 0.7973 1.2485 2.6043 0.6516 1.0523 1.0899 1.2026 0.9942 1.0367 1.1955 0.7875 1.0274 0.7214 0.7618 0.9504 1.1219 1.0227 0.7677 0.7637 2.3531 1.3511 1.2057 1.2500 2.2811 1.8780 0.8489 1.5895 0.4467 0.6620 0.5466 0.8538 0.5652 1.0496 1.4966 1.0058 1.8127 0.9570 0.3817 1.0826 1.8435 0.9014 0.7813 1.0307 1.1423 1.9780 1.3144 1.5810 0.5251 0.7521 0.8915 1.1868 1.0643 1.5706 1.4662 1.1605 0.6292 1.2004 2.6756 0.9807 1.0997 0.8227 1.1299 0.7646 0.9761 0.9735 1.5147 1.0497 0.7383 1.6772 0.7765 0.9733 0.6693 0.7507 0.9162 0.4094 2.7374 0.7973 0.8124 0.7346 0.8583 2.6408 0.7351 1.4071 1.5854 0.7539 2.5854 1.3158 0.6387 0.8811 4.9379 1.1356 0.8293 2-hydroxypalmitate 0.8862 1.1001 0.7422 0.6904 1.3800 1.6090 0.7941 0.5755 0.9155 1.0264 1.1163 1.0549 0.7650 0.8699 1.0914 0.7650 0.9088 0.9712 0.6415 0.9640 0.9835 0.7998 0.7020 1.1013 0.7871 0.8702 0.9004 0.7799 0.9224 0.9156 1.0310 0.7095 0.9917 1.0926 0.9112 0.9497 0.8296 0.7781 0.8965 1.0080 1.0968 0.8541 0.9647 1.0492 1.6759 0.9370 0.9716 1.0475 1.0489 0.9963 1.1059 1.0438 1.5208 1.6801 0.7159 0.8460 1.2702 0.9383 1.0008 1.2213 0.9903 0.9498 1.1339 1.0259 0.8121 1.0366 0.8073 0.8619 1.1163 0.8992 1.5397 3.2191 1.3106 0.5323 1.0098 1.4091 1.4511 1.3011 0.9944 1.0873 1.6150 1.2454 1.0011 0.9992 0.6868 0.8423 1.0077 0.7799 1.9733 1.8855 1.2191 1.1245 0.9517 0.7524 0.9978 1.0504 1.1082 0.7265 1.1185 1.1690 1.4548 1.0472 1.4539 1.4363 1.3895 1.1766 2-hydroxyphenylacetate 1.0679 4.7051 1.5064 0.9104 0.6309 0.6007 0.9523 1.5736 0.6178 1.2135 1.6174 1.1868 1.7884 1.5122 1.4292 0.9454 0.9900 0.7894 1.9201 0.7008 0.6690 0.7363 0.6726 1.5294 0.9574 1.2687 1.7064 1.6601 1.3867 1.0557 0.5188 0.7382 1.7812 3.3399 1.2558 1.0100 0.4611 1.1990 1.7751 1.8833 0.2698 1.4090 0.9693 0.6031 0.7971 1.2038 0.7868 0.9192 0.5421 1.7567 0.5768 0.7151 0.5122 0.9424 0.6179 1.0314 0.8882 1.3235 1.1866 1.3352 1.0656 1.4903 0.8257 1.0652 1.2119 2.6506 1.0474 2.1030 1.7347 1.6132 0.9010 1.1607 1.0377 0.5183 0.4779 0.3856 0.4966 0.9112 1.8735 0.6259 1.3351 0.5183 0.5371 0.9131 0.8579 0.7846 1.3761 0.3299 0.6406 1.1688 1.0837 0.8423 0.7856 0.8618 0.7887 1.2778 0.9667 0.5811 1.4527 1.1046 1.6242 0.5634 1.2062 0.7031 1.2578 0.8425 2-hydroxysebacate 1.4435 1.1308 1.4250 1.0382 0.7554 1.1701 1.6192 1.4072 0.9178 0.7082 1.5800 0.9332 4.8648 1.5325 0.9836 1.0579 1.0253 1.4428 1.0175 1.4756 1.1045 1.0828 0.8515 1.0031 0.6622 1.3426 1.2011 0.8043 1.4082 1.0358 2.1381 0.7848 0.7390 2.8432 1.0530 0.7029 1.5784 1.9905 1.9864 0.4442 1.2602 1.1033 0.5233 0.8454 1.5054 1.0514 1.0565 1.0297 0.5313 0.6171 0.3700 1.0799 0.7825 1.5329 0.6413 0.6926 0.7456 2.9432 0.9257 0.7615 1.7552 0.5148 1.2338 0.6455 1.3528 1.6439 0.5009 2.6151 1.0678 0.6158 0.6895 1.0053 1.2454 1.2992 0.5624 0.7567 0.7154 1.4712 0.8958 0.6766 0.6571 1.2280 0.4807 0.6344 0.3700 0.5556 0.4771 0.6733 0.4905 0.9969 1.7147 0.5094 0.3700 0.8269 0.9603 0.7838 2.5868 0.6665 0.4326 0.7573 1.5327 0.6378 0.7037 0.6179 1.0169 0.9789 2-hydroxystearate 0.8837 1.0330 0.8955 0.6121 1.1007 1.6940 0.9914 0.6291 0.9621 0.8684 1.2124 0.9791 0.8121 0.9117 1.0420 0.7693 1.0460 0.8528 0.7700 0.9290 0.9005 0.6155 0.6970 1.3423 1.0124 0.7682 0.8728 0.7815 0.7942 1.1537 0.9996 0.7945 1.0806 0.8906 0.9584 1.1698 0.9037 0.8655 0.9332 1.0230 1.2259 1.1228 1.1687 0.9175 1.4533 0.8742 1.0670 1.0830 0.8952 1.2035 1.0579 0.9866 1.2566 1.6902 0.8955 1.0004 1.2599 1.3357 0.9750 1.1105 0.9768 1.0853 1.0691 1.1320 0.9213 1.1240 0.6655 0.9327 1.1332 0.9024 1.3978 2.3614 1.0050 0.5248 0.9121 1.3318 1.4240 1.2050 1.0882 1.0068 1.3572 0.9779 0.9488 0.9211 0.8217 0.8246 0.9932 0.6738 1.9754 1.8388 1.0342 1.2635 1.0118 0.8693 1.0666 0.8950 0.8774 0.7676 1.0524 0.8818 1.2613 1.0063 1.4076 1.2072 1.2334 1.3226 2-keto-3-deoxy-gluconate 2.5301 0.8217 1.0735 2.5402 1.7085 0.6643 0.3265 1.5363 0.7067 1.0823 1.7002 1.4916 3.2143 0.5801 0.5242 0.7402 1.3744 1.4367 1.1978 1.0075 1.0962 1.5627 1.1736 0.9082 0.9690 1.9708 1.2114 0.9228 0.0980 0.7403 0.8251 0.9347 1.2525 2.5738 0.8938 0.8646 1.4887 0.6351 1.0715 0.7799 0.4346 2.0815 0.8508 0.6529 0.8689 0.3843 1.7196 1.3173 1.1549 1.2325 0.7071 1.3486 0.6444 0.7415 2.2380 0.8311 0.4599 1.0730 1.5919 1.1509 0.7452 1.2803 1.6568 0.7270 1.1305 1.1051 1.3665 1.0072 1.0537 1.5000 1.0314 1.0169 1.5987 1.0888 1.1162 1.5518 0.7350 1.4816 0.4161 0.7282 0.7007 0.5983 0.6764 0.9405 1.0314 0.9244 0.8709 0.7996 0.3766 2.5458 2.6255 1.0587 0.5308 0.9928 0.8394 0.2526 0.9765 0.8080 0.6168 0.8035 0.7683 0.8608 0.8190 1.2646 2.2060 0.6295 2-ketocaprylate 1.9224 1.7695 0.9715 0.9177 0.7101 1.1922 0.9136 0.6078 1.2397 0.7801 1.0084 1.0948 2.0584 0.7324 0.9248 0.8253 2.7116 0.6388 1.2290 1.1451 1.4031 0.8980 1.1286 1.1579 0.8198 1.1438 0.6946 0.6371 0.9611 0.6896 1.0007 0.5172 0.7627 2.4011 1.1309 0.6854 2.0546 2.2527 2.0621 1.0722 1.6271 0.4446 0.5363 0.5966 0.6899 0.4498 1.1001 2.0838 0.9910 1.2023 1.0468 0.1908 1.3285 1.9273 0.7246 0.8263 0.7844 0.9850 1.8165 1.2821 1.9284 0.4607 0.7655 0.8302 1.0802 1.3164 1.0863 1.0990 0.8849 0.5270 1.1166 2.0841 1.0065 0.8682 0.5538 1.2782 0.6506 1.1265 0.7259 1.8895 1.1492 0.6815 1.6297 0.9993 0.9782 0.8872 0.5660 0.5365 0.4764 2.0379 0.6778 0.9015 0.7625 0.7217 3.0003 0.7626 1.2633 1.7339 1.0581 2.1923 1.3311 0.7149 1.1516 2.5398 1.1328 0.9662 2-linoleoylglycerol (18:2) 0.2950 1.5808 0.2502 1.6513 0.8678 2.8069 2.0634 0.5030 1.3114 3.4436 0.7891 0.1835 1.8164 0.5813 0.8321 0.4971 0.7598 0.4874 0.2878 0.7632 2.5584 1.8801 0.1835 1.0716 1.1039 0.5762 1.4126 1.1011 0.1835 1.2109 0.1835 0.4692 2.2523 1.2650 0.4727 0.7638 0.4226 1.2692 0.3670 0.5717 1.6295 0.3898 1.0202 1.2403 1.8331 0.7088 1.2690 0.7988 2.0993 1.2992 1.3881 0.9081 4.6191 0.9383 2.5532 0.5038 1.9038 0.6677 0.6950 0.8412 0.4841 1.5853 1.5299 0.8806 0.3763 0.7366 1.0403 1.0246 1.4243 0.3367 0.7917 6.0417 0.9960 0.6967 0.5377 2.8928 0.4513 0.8138 1.6718 3.1699 1.1261 0.8611 0.4847 0.9378 0.1835 0.7023 0.6615 0.4915 2.1124 1.8095 0.7479 1.5873 1.0406 0.7120 1.0630 2.2729 1.2844 1.0040 1.9084 1.8772 0.9579 0.6029 1.0239 1.9286 0.6852 2.9432 2-methoxyacetaminophen glucuronide* 0.0124 0.0124 0.0124 0.0124 0.0124 0.7214 0.0433 2.0731 0.0124 0.0124 0.0124 0.0124 0.0124 0.0124 0.3258 0.0124 1.6054 2.1455 0.0124 0.0124 0.0124 0.0124 0.0124 0.0124 0.8059 0.8752 0.0124 0.0124 3.6535 5.4709 1.5380 0.0124 0.0124 0.0124 0.9857 0.0124 4.5824 0.0124 0.0124 0.0124 0.0124 0.0124 0.0124 0.0124 5.9116 1.2422 0.0124 0.0124 0.0124 0.0124 0.0124 1.7012 0.5959 0.0124 0.0896 0.0124 0.0124 0.0124 0.9880 0.0124 0.0124 0.5320 0.0124 0.0124 0.0124 0.6412 0.0124 10.5284 0.0124 0.0578 0.4343 7.5769 0.0124 2.2480 0.0124 3.3609 0.0124 0.0124 0.1776 1.4904 0.9950 0.2364 0.2045 0.0124 0.0124 0.0124 0.0124 0.0124 1.0050 2.8393 0.0124 0.0124 0.0124 0.0124 0.0124 0.0124 1.1092 0.0124 0.0124 0.0124 0.0124 0.0124 0.0242 1.4532 0.0124 0.0124 2-methoxyacetaminophen sulfate* 0.0333 0.0333 0.0333 0.0333 0.0333 0.7205 0.0333 1.3762 0.0333 0.0333 0.0333 0.0333 0.0333 0.0333 0.6716 0.0333 1.9857 2.9967 0.0333 0.0333 0.0333 0.0333 0.0333 0.0333 0.6670 0.4276 0.0333 0.0333 1.9915 7.6397 2.2938 0.0333 0.0333 0.0333 0.7935 0.0333 3.8175 0.0333 0.0333 0.0333 0.0333 0.0333 0.0333 0.0333 3.6334 1.2903 0.0333 0.0333 0.0333 0.0333 0.0333 2.9183 0.4641 0.0333 0.0573 0.0333 0.0333 0.0333 1.5075 0.0333 0.0333 0.2539 0.0333 0.0333 0.0333 1.1552 0.0333 12.3799 0.0333 0.0738 0.8102 5.1113 0.0333 1.2989 0.0333 1.8869 0.0333 0.0333 0.0790 0.3955 0.8448 0.1199 0.2280 0.0333 0.0333 0.0333 0.0333 0.0333 0.6963 5.2048 0.0333 0.0333 0.0333 0.0333 0.0333 0.0333 1.4210 0.0333 0.0333 0.0333 0.0333 0.0333 0.0333 0.6900 0.0333 0.0333 2-methylbutyrylcarnitine (C5) 1.5800 0.8902 1.1858 0.7239 0.5216 0.8345 0.5009 0.8890 0.9778 0.3912 1.0486 1.2127 2.4620 0.5258 0.8227 0.9417 1.0030 0.8684 1.6995 0.9748 0.9911 0.7822 1.0991 1.1529 0.8854 1.1525 0.8168 1.5016 1.4072 1.5995 1.2455 1.0114 1.3044 1.3320 1.5837 0.8180 1.1231 1.2130 1.4978 1.1306 0.5843 0.9415 1.0716 0.6531 0.9625 1.1163 0.3553 0.8165 0.7232 1.3701 0.9659 1.2451 1.0592 1.2157 0.8077 1.0129 0.6329 2.2599 0.9096 2.0286 1.2907 0.9667 0.8749 0.8957 0.9020 1.0492 1.2141 1.3995 1.4203 1.0091 1.1483 0.9852 1.0553 1.5834 0.9152 0.5828 0.6754 1.3348 1.2207 0.4964 0.6951 1.0988 1.5738 1.5211 0.8946 0.7882 0.8700 0.9097 0.6609 1.1191 1.3578 1.3267 0.9618 1.1169 1.1764 0.8167 1.0077 1.1318 0.6864 0.6923 0.9970 0.6261 0.7979 0.6371 1.7419 0.9365 2-naphthol sulfate 0.4830 14.7630 16.6046 0.5169 1.0779 0.2822 2.8912 0.6350 0.4523 0.2822 0.2822 0.2822 0.9105 12.8070 1.0000 1.2490 3.2215 0.2822 2.0453 0.6221 0.5194 0.8377 0.9709 0.7869 0.5489 0.6191 0.5686 0.5489 0.2822 0.2822 3.5094 1.8423 0.4126 5.2587 0.5215 0.7440 1.8133 15.5024 0.2822 5.9837 0.2822 0.9365 2.9885 7.9728 2.6612 3.2160 4.6598 0.9599 4.1939 1.8696 4.0624 2.5683 6.5883 0.4616 0.5332 3.2467 0.8256 1.1358 1.4213 0.7814 1.0412 0.7111 0.2822 1.3435 1.3518 8.8993 0.8157 0.3088 0.4916 3.3326 2.2287 1.7611 0.7050 0.2822 0.6395 0.6272 1.2906 1.5198 0.4349 0.7969 1.1077 0.2822 0.8914 2.7988 0.9521 0.8566 0.3063 6.9579 7.0997 2.0137 0.4151 1.1770 0.2822 10.6869 0.2822 0.8516 0.3723 0.5831 0.4084 3.5662 0.7780 0.3696 0.7581 3.6524 1.8805 0.9513 2-oleoylglycerol (18:1) 0.6507 0.7661 0.8434 1.0894 0.9319 1.6028 0.8665 0.8813 0.2756 1.5120 0.2756 0.2756 2.2495 0.6844 0.7870 0.6637 0.9928 0.8817 0.4446 0.5587 1.0095 1.1270 0.7747 1.2807 0.8311 0.8725 1.2981 1.3605 0.4138 1.4215 0.2756 0.8045 1.0136 1.0576 0.8390 0.7622 0.8420 1.0072 0.7957 0.8204 1.4276 0.8067 0.7540 0.7291 2.8157 0.8660 1.0425 0.6703 1.1466 1.1353 2.3201 0.2756 2.1372 1.1123 5.6607 1.1554 1.3436 1.8528 0.2756 1.0966 0.4853 0.2756 1.7100 0.9417 0.7822 0.9763 1.1367 1.0456 1.4356 0.6584 0.2756 6.8288 0.9853 0.9049 1.5920 0.9262 1.6697 1.4173 1.3630 1.2929 1.1130 1.1286 0.7240 1.4284 0.2756 0.7955 0.6280 0.5529 3.6779 4.3305 0.7545 1.5424 0.8232 1.2161 0.8892 0.9376 1.4125 0.8892 0.8227 0.5503 1.1839 1.1252 1.0112 1.3965 0.8704 1.7503 2-oxoarginine* 0.7557 0.9100 0.9017 1.7772 0.6305 1.0144 1.4260 0.8689 0.9924 0.5932 0.8269 0.9668 3.0244 0.2793 1.1326 0.4328 1.4273 1.1400 3.3491 0.7589 0.8177 0.8649 2.1695 2.3934 0.7023 0.7706 3.3581 1.5131 0.5758 1.1882 0.8646 1.9325 2.8854 1.0145 0.9835 0.5253 1.9601 1.3128 1.9458 1.0325 0.9800 0.4679 1.9253 0.5622 0.8088 1.2905 1.5673 0.6551 0.7738 1.5747 1.4941 1.2105 0.9869 1.9950 0.9251 1.5997 0.5685 3.5540 1.7287 1.3051 2.0834 1.5232 1.0076 0.8707 1.2485 0.8721 1.0872 0.9397 1.1912 1.5568 1.1076 1.5747 0.6589 0.4101 1.0300 0.4707 0.5586 0.7267 1.1272 0.5662 0.6312 0.7063 1.9129 2.2636 1.8753 0.5275 1.4690 0.4704 0.7259 0.5548 0.2935 2.7096 0.9367 4.4529 1.4838 1.0118 1.3994 0.5974 1.1382 0.9536 0.5925 0.5570 0.6718 0.5425 0.8167 1.0845 2-palmitoleoyl-GPC (16:1)* 0.9873 1.0850 0.5282 1.1404 1.9191 1.1398 0.8233 0.6824 1.0127 1.0814 1.0133 0.9258 0.6749 0.6436 1.1064 0.9656 0.6052 1.2738 0.6034 1.0903 0.4052 0.9073 0.6357 1.2958 0.8161 1.2949 1.1038 0.7024 0.8699 0.8809 0.9598 1.0884 0.5111 0.4331 0.5350 1.3293 1.1396 0.8124 0.5124 0.3670 1.0719 1.4325 0.3647 0.6813 3.4452 1.5507 1.0809 0.9458 0.8618 0.6097 0.9851 3.2558 1.5011 2.0018 0.9136 0.7077 0.7822 0.7924 0.4991 1.3527 0.8475 0.9094 1.6973 0.9220 0.7388 0.7035 0.8882 1.0698 0.9569 1.5022 0.9072 3.0065 1.1801 0.1864 0.9375 1.8167 1.1462 1.2190 0.5486 1.2270 1.6685 1.7831 1.3506 1.4380 0.4751 0.4058 1.0907 1.0550 3.0490 5.0145 1.2194 1.1659 0.5023 0.5474 1.3532 0.8687 1.5777 0.6084 1.2404 0.6590 1.2777 1.7567 1.1161 1.0433 1.3141 1.0500 2-palmitoyl-GPC (16:0)* 0.6220 1.6386 0.5389 2.7161 2.0295 1.9140 0.5767 0.6670 0.6570 2.6024 1.9527 0.8104 0.7793 0.9924 0.8829 0.5234 0.5268 0.9913 0.3921 1.7205 1.1857 1.0564 0.3241 0.9595 1.4331 2.5588 1.0230 0.6416 0.5510 1.9192 0.5870 0.6299 1.3241 1.0878 0.4557 1.4739 0.6327 0.6135 0.4050 0.5555 0.8859 0.7840 0.9444 1.0968 2.1041 1.4884 1.2530 0.6319 1.6814 0.2855 2.3061 2.1808 1.5619 3.7129 1.4469 0.5204 0.7945 0.6321 0.8244 1.5511 0.5511 1.5347 1.8446 1.7926 0.5599 0.5951 1.4515 1.7986 0.5653 2.0865 2.2298 4.8062 3.4707 0.6030 0.5541 4.0602 0.6492 0.5398 0.5735 1.2726 2.8626 0.8177 0.8619 0.8156 0.5613 0.7105 0.9890 0.4376 5.5246 2.5772 1.6406 1.0076 1.0471 0.5249 1.7189 0.6448 2.3942 0.8055 2.4987 2.1047 2.2865 1.0325 1.2894 1.3420 0.9076 1.5355 2-piperidinone 0.9433 2.8399 1.0839 0.6141 0.4042 0.3222 0.4895 0.8517 0.5050 1.3157 0.5795 0.7138 1.0389 0.6649 1.5310 1.0125 2.1512 1.3690 1.5163 0.3593 1.1578 5.2329 0.8504 1.0000 0.3769 0.7784 0.7108 0.3648 6.0834 0.5277 1.1331 0.8341 0.9211 1.6619 4.4003 1.9923 0.5111 0.7258 0.7035 1.0236 0.5685 1.1702 0.6630 0.3089 13.8272 1.8045 1.1703 0.3707 0.6477 1.7780 0.3031 14.4827 0.6868 0.6932 0.9231 0.6314 5.2370 1.2411 0.8012 1.2939 0.5121 2.0629 1.7331 6.5606 0.6614 4.3713 1.9757 0.7139 0.7460 0.8594 2.5249 0.1766 11.1233 0.5767 0.9879 0.1766 25.9094 2.0759 1.9121 15.4652 0.5147 1.0580 0.2606 0.4531 1.5486 1.3892 1.1490 2.3009 1.0144 0.6888 2.0619 2.8660 5.1938 5.9237 7.7424 0.2407 1.0829 0.8348 0.7596 0.6832 0.8189 0.6374 1.7272 3.6579 1.6526 0.3231 2-stearoyl-GPE (18:0)* 1.0630 1.0344 0.9290 1.3795 0.7799 1.0206 0.8673 1.1088 1.3220 1.2234 0.9603 0.7892 0.8178 0.4888 2.0490 1.1991 0.6459 1.5396 1.1857 0.7277 0.5748 0.3602 0.6985 0.6467 0.2796 1.5665 1.1998 0.7316 1.4663 1.6165 1.2350 1.0112 0.2648 0.7449 0.7298 0.6966 1.2582 1.0762 0.7544 0.4212 1.1035 1.4872 0.4715 0.5538 1.1391 0.5959 0.7139 0.6412 0.5621 0.4629 0.9075 1.3132 0.9727 1.1081 0.8854 1.1239 1.2255 1.2019 0.6118 0.5518 0.6121 0.3028 1.0564 0.4692 1.1159 1.0955 0.6244 1.2350 0.9644 1.0887 0.9281 2.9238 1.9234 1.3532 1.9719 1.6666 1.7263 1.4465 0.8534 0.6108 0.9888 1.3936 1.5115 1.4951 0.7023 0.6410 0.8515 0.9192 4.3321 5.1623 0.6878 1.1917 0.6316 0.7020 0.5724 1.2717 0.8683 1.0640 0.8419 0.7289 1.0836 1.6963 2.3029 1.5928 1.4792 1.6551 21-hydroxypregnenolone disulfate 1.0820 1.8142 1.4398 0.0618 1.3054 0.4735 0.8462 0.6640 0.7137 1.7756 1.2915 1.3147 1.0188 0.9565 1.0095 3.0276 1.0000 0.2842 1.3079 0.8398 1.5203 3.7444 1.5715 0.6130 1.3989 1.6649 3.3230 1.2327 0.4186 0.7691 0.6144 0.6970 2.0949 0.7429 0.6455 0.7930 0.5942 2.1045 1.5674 0.6288 0.4451 0.5800 1.1379 1.0970 0.9387 0.6332 2.4082 0.4333 3.3874 1.4491 1.0081 1.1166 0.1927 0.4842 1.1501 1.4839 0.5639 2.2388 0.6863 0.5262 1.3886 1.5007 1.2478 1.5380 0.3350 0.5933 0.4035 0.1647 2.9573 2.0213 0.9295 0.1321 3.2161 0.0618 0.6405 0.9954 0.8156 0.7118 0.8717 0.9475 1.0470 2.2999 0.8704 1.7517 1.1517 0.7139 2.0169 0.9015 0.7972 0.0644 1.4607 0.8800 1.0145 0.7378 0.8305 0.7493 0.9221 1.5263 1.8220 0.4972 2.0236 1.7705 1.3021 0.7742 1.2171 1.7437 2R,3R-dihydroxybutyrate 1.1677 1.7127 1.0754 0.6636 0.5919 0.6687 0.9593 0.8021 1.8302 1.4178 1.0605 0.6186 1.1906 0.6772 0.7379 0.8015 1.3962 1.0061 1.8177 0.6850 0.7155 1.1976 1.4456 2.0431 0.9189 1.1596 1.2194 0.9805 1.9025 0.5585 1.1262 1.2663 0.8372 1.1537 0.7134 0.5835 1.3492 0.5982 0.9334 0.8003 0.6166 1.0316 1.0568 0.9729 0.9627 1.4459 0.7340 1.1650 0.8446 1.5121 0.9495 0.4625 1.3987 0.8741 1.4438 1.1543 0.6872 1.5686 0.7352 1.3132 1.4109 2.1223 0.7343 1.0958 0.9914 1.1215 0.9677 1.2710 0.8188 1.1509 0.8135 1.1486 0.7604 0.4105 1.0424 0.5711 0.3601 1.0977 1.0363 0.6478 1.1675 0.6181 2.1090 1.5533 0.7691 0.5237 2.0444 0.7023 0.9939 0.7017 1.2752 1.6057 0.9062 1.1414 1.0089 1.6728 1.0186 0.8233 1.2361 0.9344 0.9431 0.5404 0.9910 1.1745 1.2620 0.8698 2S,3R-dihydroxybutyrate 1.9111 2.0144 0.8630 1.2287 1.7516 0.8441 0.7923 0.6089 1.8116 0.5186 1.3764 0.6790 1.4486 0.8235 0.9026 0.5069 0.6908 0.6322 1.7920 0.6067 0.9626 0.6486 0.6329 0.6411 1.0189 1.3906 0.5806 1.3037 0.6984 0.6493 1.0174 0.9326 0.9369 1.1161 1.0374 0.4037 0.5759 1.2191 1.6023 1.5989 0.4884 1.0627 1.3676 1.8610 1.4031 2.5435 1.0403 0.7979 0.6247 1.6784 2.0377 1.4135 0.5646 1.0644 0.7870 0.6888 0.2563 1.8073 1.3988 1.3457 1.6887 1.1226 1.0190 0.9914 0.5564 1.6774 0.5763 0.9064 0.7287 0.9961 1.9456 0.7656 0.7307 1.0920 1.0777 0.6873 1.0515 1.4374 1.9136 0.2990 0.8518 1.5693 0.8551 1.3446 0.7530 0.7522 1.9538 0.7317 1.2019 1.0039 2.4007 1.0216 1.9190 0.8127 1.0083 0.6986 0.7001 1.7873 0.5578 0.8904 1.6430 0.3878 1.2771 0.6784 1.4947 0.8921 3,4-dihydroxybutyrate 0.9742 2.1151 1.1001 0.8770 0.9022 0.9133 0.8596 0.9022 0.9974 1.6329 1.2526 0.9348 1.1603 1.5197 1.5636 1.2727 1.3737 0.8982 1.0026 0.8874 1.8308 0.9779 0.9376 1.2003 1.1517 1.0589 1.2400 0.7741 1.5821 1.0353 0.9828 0.9649 1.0728 1.3371 0.8576 0.9815 0.9676 1.1754 1.4498 0.8746 0.5911 0.9945 0.9726 1.0536 2.0520 1.8529 0.8792 1.2369 0.9333 1.1992 0.7464 2.1031 1.0556 0.7549 1.1637 0.8751 0.8743 1.2278 1.3309 1.6143 0.7713 1.0157 1.2992 0.8042 1.2600 1.2022 0.8825 1.9290 1.2197 1.0295 1.1077 1.1286 1.5994 1.1012 0.6853 1.2845 1.2561 1.4723 1.1676 0.7421 0.9247 1.2140 0.8363 1.1383 0.8517 0.7342 0.8917 0.9506 0.7516 2.5378 1.8055 1.3340 0.8579 0.8480 0.7219 0.9250 0.8042 0.6104 0.7413 0.6810 0.9633 0.6373 0.8612 0.8019 1.2006 0.8360 3,4-methyleneheptanoate 1.2212 2.1123 0.9768 0.7108 0.4248 1.1771 0.2050 0.5330 0.6257 0.2050 1.0118 1.4792 1.5424 0.4441 1.1942 2.3305 0.2050 0.2666 0.6995 0.2050 0.2560 0.2050 0.4976 0.6436 1.2938 0.3412 0.2050 0.4322 0.2050 0.2050 2.2212 2.6163 0.2050 2.2972 0.2050 0.2050 0.2841 2.3133 0.2050 1.5600 1.5187 0.2390 0.9946 0.5264 0.2553 0.2050 2.0595 0.2050 0.2050 0.6941 0.7142 0.2050 0.3079 2.4789 0.5229 1.9226 0.2050 0.2050 2.6963 0.8373 0.7930 0.5783 0.2050 1.0000 1.2435 0.6922 0.4665 0.2050 4.0218 0.4318 3.1192 2.3982 2.2027 0.2050 0.2050 1.6436 0.2448 2.0024 1.4633 0.2050 0.4070 1.4601 1.1131 0.5731 1.0723 1.0121 0.6796 0.2050 0.2050 0.2629 0.2050 0.2050 4.3644 0.4321 1.1347 0.9261 2.0040 2.3046 0.2050 0.2050 0.7726 0.9608 0.2050 1.7165 2.5220 2.3714 3,5-dichloro-2,6-dihydroxybenzoic acid 1.1691 2.6796 0.6678 0.8926 0.5577 0.7887 0.9100 0.9525 1.2274 0.6410 0.7458 0.6794 2.5058 1.0113 0.7498 0.7187 0.4254 0.7831 0.5990 1.2271 0.8412 1.4251 0.9991 1.8679 0.8110 0.6055 0.8199 1.0846 0.6770 1.0175 0.9910 1.1273 0.9512 0.8390 0.8612 0.7425 1.8769 1.5076 1.4459 1.1546 0.4764 0.5765 1.4591 0.8292 2.1925 0.7515 1.6922 0.7502 0.7068 1.0605 0.8223 1.3184 1.0292 1.1249 0.6119 1.0073 0.8674 0.6212 1.1334 1.6307 2.3499 4.2056 0.8136 2.5034 1.0166 3.1225 0.6615 0.9768 1.1138 1.3436 1.5911 3.7672 1.2389 0.3146 2.3629 1.0009 0.5435 1.0058 0.9853 0.5611 1.0159 1.7795 1.6010 1.4833 0.5297 0.6166 1.6491 0.4965 0.6060 0.7595 1.2160 2.0322 1.2855 0.9981 2.9362 1.0589 0.4904 0.6408 0.8845 1.1352 1.1495 1.3616 1.4434 1.2242 0.6510 0.7710 3,7-dimethylurate 0.8854 1.8969 1.0248 0.1656 0.3168 2.1620 0.5086 0.1656 0.8689 2.2320 0.7802 0.7338 1.1067 2.0801 0.5299 3.6077 1.0012 0.2518 0.8434 0.9741 0.5775 0.8250 1.2157 1.7858 0.9269 0.9562 1.1128 2.3802 0.1656 0.6680 0.6098 0.6931 0.9943 3.7031 0.8765 1.1146 0.3445 1.1062 2.9648 0.2794 0.1656 0.5451 1.0712 0.8233 1.0496 1.4572 4.9520 1.2329 0.5830 0.8038 1.5735 0.1656 0.8333 1.2644 0.1656 0.3238 1.6056 1.2139 1.8076 0.1656 3.7456 1.3314 0.6686 0.4428 11.4893 1.9290 1.6072 0.8444 0.6785 0.8969 1.2160 0.6022 1.1749 0.1656 0.7328 0.1656 0.1880 3.3447 0.1656 1.1706 0.6857 0.5116 0.9988 1.1083 0.5895 0.9373 0.1656 0.9785 0.1656 0.1656 4.7312 0.8537 0.4033 2.6240 0.9689 0.8579 1.9061 1.3571 3.5708 1.1156 1.2503 1.2593 1.0847 1.3971 0.6586 1.6418 3-(3-amino-3-carboxypropyl)uridine* 1.2434 2.7049 1.1409 0.7778 0.5556 0.8541 0.8491 1.0106 0.8516 1.6440 0.8724 1.4715 0.8978 0.8377 0.9942 1.6598 1.5156 0.5556 1.1369 1.0418 1.0587 0.5556 1.0058 0.8159 0.6535 1.1003 1.1446 0.5556 0.5556 1.0218 0.8581 1.1868 0.8455 4.9356 0.8522 0.8058 0.5556 0.9282 1.4288 0.9285 0.6374 0.6358 0.5556 0.7450 1.4712 0.5556 0.8927 1.6422 1.1760 2.0998 0.7817 0.7826 0.9771 0.5646 0.9315 1.1492 0.9024 1.4341 0.9021 1.1704 1.1327 0.5556 1.0192 1.0143 1.6981 1.3141 0.5556 0.7722 2.1390 1.4292 1.2520 0.7491 1.6694 0.5556 0.5556 0.7535 0.8627 1.5661 0.7687 0.5556 0.8900 1.1286 0.9728 1.5536 0.5556 0.5556 0.5826 0.5556 0.7114 1.9555 1.6977 1.2714 0.8674 0.5556 0.9187 0.8820 0.8448 0.9392 0.5556 1.0402 1.1363 0.5757 0.8270 0.5556 1.5803 1.0593 3-(3-hydroxyphenyl)propionate 0.0737 0.7199 0.5334 5.7677 0.0737 0.4908 0.0737 0.0737 2.0772 0.0737 0.0737 0.0737 0.7412 0.4032 1.3187 0.2858 8.6231 1.5547 0.0737 6.5147 0.0737 1.0537 3.0896 0.5433 0.0737 0.0737 0.4685 0.8528 0.0737 0.0737 3.0537 0.0737 2.7985 0.5686 4.4645 0.8568 5.2935 0.0737 0.1179 0.4643 0.0737 0.0737 0.0737 1.4332 0.7224 0.0737 3.1681 2.1344 9.4648 0.0737 1.3001 0.1903 0.7553 0.0737 0.4317 0.7460 2.5868 0.0737 0.0737 0.4760 2.4052 0.0737 0.0737 0.2219 0.0737 8.7906 0.8919 2.4085 2.0144 1.3580 1.6138 6.1132 10.7408 1.9236 0.8656 0.2526 0.2880 0.7866 1.1133 2.8247 3.0857 0.0737 0.0737 0.0737 4.8943 0.9463 0.0737 2.2232 1.1228 2.5167 0.1719 0.2766 0.3421 0.0737 0.0737 0.0737 0.6013 0.2601 0.4722 0.7715 0.3117 0.5675 3.7443 0.3952 2.0796 2.7479 3-(3-hydroxyphenyl)propionate sulfate 0.1107 0.4100 0.2592 2.4001 0.1107 0.1107 0.1107 0.1107 1.0250 0.1107 0.1107 0.1107 0.3262 0.1107 0.3454 0.1107 4.5728 0.9592 0.1107 4.6045 0.1107 0.5087 1.2972 0.2935 0.1107 0.1107 0.2243 0.2586 0.1107 0.1107 1.1256 0.1107 1.9937 1.5706 1.4116 0.4593 1.6067 0.1107 0.1107 0.1107 0.1107 0.2796 0.1107 0.9680 0.3929 0.2536 1.0651 1.1551 2.9594 0.1107 0.4096 0.1107 0.4932 0.5754 0.1107 0.2593 0.5928 0.1107 0.1107 0.1107 1.1094 0.1107 0.1107 0.1107 0.1107 4.8345 1.0143 1.1448 1.5740 4.2117 1.1083 3.1287 7.3929 0.9857 0.3927 0.1107 0.2327 1.7308 0.3933 0.2187 1.0163 0.2626 0.1107 0.1107 1.8083 0.3949 0.1107 0.8663 0.5292 1.5426 2.0727 0.1107 0.1107 0.1107 0.1324 0.1925 0.1107 0.3953 1.5048 1.0896 0.1107 0.1107 2.6634 0.1107 1.1410 1.1200 3-(4-hydroxyphenyl)lactate 1.0986 1.0026 0.8285 1.1240 1.0569 1.0553 0.7606 0.6052 1.0557 0.7292 1.1989 0.8640 1.0895 1.0309 0.7882 0.8177 1.0423 0.9110 1.1152 1.6674 0.7931 1.0838 1.0592 0.7644 0.9637 0.8978 1.2731 1.0539 0.3886 1.0413 0.6101 1.6587 1.2431 1.3843 1.0574 1.4071 0.7290 1.2076 1.2928 1.1431 0.4917 0.9465 1.2646 0.8618 0.9253 1.2046 0.9515 0.7760 0.7061 1.6684 1.0061 1.6246 0.5190 1.2202 0.6091 0.8383 0.5016 1.3752 1.3528 1.1748 1.0256 0.9428 1.0796 0.8478 0.9594 0.8848 0.9569 0.5635 1.0345 1.1987 1.8620 0.5978 1.1151 0.4782 0.8825 0.6219 0.7373 0.9873 1.1254 0.4701 0.8698 0.8239 0.6795 1.1186 1.1599 0.8046 1.2952 0.9422 0.5036 0.8400 0.7359 1.1941 0.9401 0.8010 1.6044 1.5125 0.9974 1.4705 1.1663 1.7937 0.8104 0.8050 1.0472 0.5053 1.2662 1.0108 3-(cystein-S-yl)acetaminophen* 0.0582 0.0582 0.0582 0.0582 0.0582 0.8305 0.0582 1.1450 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 0.3363 0.0582 1.7657 1.6940 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 0.7248 0.6939 0.0582 0.0582 0.8087 4.5524 1.3147 0.0582 0.0582 0.0582 0.6784 0.0582 1.7613 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 4.8755 0.9714 0.0582 0.0582 0.0582 0.0582 0.0582 0.7002 0.2646 0.0582 0.0582 0.0582 0.0582 0.0582 0.7348 0.0582 0.0582 0.2876 0.0582 0.0582 0.0582 1.1122 0.0582 6.2322 0.0582 0.0582 1.0957 4.9308 0.0582 1.4088 0.0582 1.0286 0.0582 0.0582 0.0631 0.4845 0.9584 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 0.4989 2.2648 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 1.0855 0.0582 0.0582 0.0582 0.0582 0.0582 0.0582 1.0859 0.0582 0.0582 3-(methylthio)acetaminophen sulfate* 0.0178 0.0897 0.2464 0.0178 0.0178 0.5494 0.2435 0.3988 0.0178 0.0178 0.0178 0.0301 0.0178 0.0178 3.6997 0.0178 0.8617 0.8373 0.0178 0.0178 0.0178 0.0178 0.0178 0.0178 1.9907 0.4425 0.0178 0.0178 1.0877 2.4535 3.4429 0.0178 0.0178 1.1651 1.0898 0.0178 2.4867 0.0178 0.0178 0.0178 0.0591 0.0178 0.0178 0.9191 1.2408 1.0002 0.0178 0.0178 0.0178 0.2550 0.0178 7.0596 1.5378 0.0178 0.3452 0.0178 0.0178 0.0178 1.0115 0.0178 0.0178 0.4395 0.0178 0.0178 0.0178 2.8759 0.0178 2.4408 0.0178 0.0178 1.0772 3.4641 0.0178 2.0494 0.0178 1.9868 0.0916 0.0178 1.4814 1.0000 0.7965 0.2040 0.3166 0.0353 0.0178 0.0178 0.0178 0.0178 0.8221 3.0723 0.0178 0.0178 0.0178 0.0178 0.0178 0.0178 1.9052 0.0178 0.0178 0.0178 0.0178 0.0450 0.1478 1.7345 0.0178 0.0178 3-(N-acetyl-L-cystein-S-yl) acetaminophen 0.0185 0.0185 0.0185 0.0185 0.0185 0.9046 0.0185 1.7788 0.0185 0.0185 0.0185 0.0185 0.0185 0.0185 0.4907 0.0185 1.8833 1.5779 0.0185 0.0185 0.0185 0.0185 0.0185 0.0185 0.5502 0.8074 0.0185 0.0185 0.9704 3.8470 1.7316 0.0185 0.0185 0.0400 0.5820 0.0185 2.1761 0.0185 0.0185 0.0185 0.0185 0.0185 0.0185 0.0185 4.2850 1.1107 0.0185 0.0185 0.0185 0.0190 0.0185 0.5109 0.4740 0.0185 0.0185 0.0185 0.0185 0.0185 0.8641 0.0185 0.0185 0.5819 0.0185 0.0185 0.0185 1.8104 0.0185 5.3420 0.0185 0.0248 1.5360 6.5123 0.0185 1.0692 0.0185 1.1020 0.0185 0.0185 0.1225 0.4493 1.5855 0.2946 0.3006 0.0185 0.0185 0.0185 0.0185 0.0185 1.0296 3.9834 0.0185 0.0185 0.0185 0.0185 0.0185 0.0185 1.2015 0.0185 0.0185 0.0185 0.0185 0.0185 0.0527 1.4041 0.0185 0.0185 3-acetylphenol sulfate 0.5678 1.4752 2.9935 1.6425 0.2232 0.3332 0.2330 0.2232 0.8629 2.0532 1.5996 0.6035 1.3034 2.6423 2.9876 0.8737 3.3376 1.6496 0.4282 1.9740 0.2232 0.6000 2.1864 1.0990 0.8177 0.7679 1.4619 0.9368 0.5411 0.4549 0.2491 0.7076 1.8392 2.5582 1.1372 1.7956 1.0966 2.7809 0.9110 0.4864 0.2232 0.4935 1.0809 0.6597 0.5051 3.9663 0.6769 0.9176 2.1569 1.2448 0.8374 0.2232 1.2513 0.5789 1.0365 0.7880 0.3244 1.5261 2.2456 0.4175 2.5039 1.5070 0.2232 0.2232 1.8666 2.3234 0.7607 1.0952 1.0000 1.1343 0.6869 3.0804 2.6679 0.2232 0.5393 0.4964 0.2232 1.2026 0.2405 0.2232 0.8397 0.2232 0.2232 0.2232 0.5548 0.2232 0.2232 0.5375 0.3154 1.8877 1.0199 0.2232 0.2232 1.1690 0.2232 0.2232 0.3545 0.2232 1.5755 0.4978 0.3128 0.2232 0.9034 0.2232 0.6988 1.6294 3-amino-2-piperidone 1.9396 1.9575 2.2612 1.4169 1.8804 0.9701 0.5778 1.8249 0.9343 2.3471 1.8601 1.4812 1.2770 0.5306 1.1007 0.9972 1.2552 2.7528 1.2298 0.9551 1.2266 1.6407 1.9305 0.8354 1.0365 1.5402 0.7576 1.3882 1.7343 1.2917 1.3854 1.0661 1.2145 1.1090 0.7360 1.6307 0.9552 0.9842 1.2049 1.0675 0.4702 1.0114 0.9287 0.7176 1.0595 1.1533 1.4234 1.3812 0.9721 0.7478 0.7164 1.2520 1.4225 0.6651 0.8607 0.8220 0.6511 1.0448 1.0028 1.2418 0.9365 1.0080 0.8459 0.8660 1.0846 1.6198 1.0221 0.9233 0.8794 1.0308 0.5883 0.8256 0.6623 1.2696 0.8264 0.7756 0.8791 0.9619 0.9731 1.1213 0.7805 0.8526 1.0258 0.7193 0.7988 0.6872 0.8551 0.9390 0.7261 0.8224 0.9761 0.7806 0.8277 1.3463 0.7411 0.8515 0.6002 0.7943 0.8475 1.0080 0.7281 1.2595 1.0417 0.8653 1.3479 1.1716 3-aminoisobutyrate 1.4463 0.7206 1.2409 1.6169 0.8557 0.8106 0.5940 1.1373 0.6493 1.1326 2.3652 1.1539 0.4917 1.1887 0.7819 1.8985 1.1414 0.9746 1.7331 1.8476 0.7587 0.6406 0.8062 0.6189 0.6703 1.2646 0.4618 1.1145 0.6626 0.8226 0.8751 0.5386 0.5282 3.7373 0.9930 1.1886 1.0519 0.4548 1.1527 1.1306 0.7995 0.5103 1.4120 0.6334 1.3182 0.4823 0.7575 0.7889 0.7451 0.7801 0.9601 0.7453 1.7930 0.7845 1.6507 0.9446 0.7760 0.6599 3.1811 1.9599 1.3832 0.7595 0.7849 1.0581 0.5985 2.1931 0.7425 1.1160 1.8588 0.8247 0.9624 0.4895 2.5611 1.9358 1.2804 1.2487 1.0255 1.7657 1.2533 0.7054 0.7211 1.6721 0.7148 0.6436 1.1349 0.8609 1.9824 0.5983 1.2816 2.1738 1.7561 0.6076 1.1585 1.1968 1.0399 0.6732 0.4451 1.6673 1.4603 1.5750 1.4197 0.8787 1.0070 0.9713 1.3340 1.2722 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 1.1917 2.1156 0.6389 0.8664 0.7448 1.1675 0.8541 1.4803 1.1135 0.4889 0.7710 0.8361 1.6679 0.4813 0.5534 0.6926 0.2958 1.0167 0.4232 1.6731 0.6787 1.6159 1.0358 3.2239 0.9246 0.6063 0.7088 0.7871 0.4742 1.0201 1.1919 1.3170 1.1250 0.5065 0.8734 0.4879 3.2997 1.4072 1.2954 0.9732 0.3168 0.9020 1.3964 1.0117 2.3353 0.8109 2.8399 0.8196 0.8789 0.9883 0.7295 1.5011 0.5527 1.8033 0.4211 0.9750 0.8267 0.6373 1.2372 2.5514 1.9221 2.1761 0.9012 1.5771 0.8556 10.3572 0.6142 1.0278 0.8929 1.2771 1.6265 2.4889 1.3186 0.3230 1.3968 1.4361 0.5539 1.0366 0.7894 0.1975 1.4203 2.5483 1.8710 1.7650 0.5276 0.7788 1.8836 0.4427 0.6472 0.8566 0.4976 1.7545 1.2375 1.4606 1.5869 0.9296 0.4566 1.1342 1.0758 0.9226 1.4714 1.4126 2.1025 0.9482 0.6851 1.2313 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 0.9281 1.4696 1.0218 0.7818 0.4432 1.0009 1.0756 0.5714 0.9991 0.5222 2.1810 0.6664 0.5954 0.6687 0.6994 1.5230 1.5596 0.8425 1.2278 3.7779 0.4124 1.0839 0.7715 1.3802 1.3025 2.6491 1.0830 1.7620 1.1337 0.7094 3.6239 1.1305 1.3855 1.4885 1.1661 0.8437 0.8432 0.5674 1.3296 0.8718 1.0239 0.9076 1.7139 0.2941 0.6595 0.5618 0.6866 1.0737 0.9694 1.7335 1.0938 0.3295 2.0520 2.0420 0.6823 0.9096 0.9067 1.7741 0.8225 0.9040 1.5839 1.0330 0.5468 0.6930 1.7151 3.0354 1.3441 0.9207 1.0597 0.7480 0.5310 2.7355 0.8254 0.4197 0.5949 1.4167 0.6669 1.6018 1.8859 1.1870 1.4179 0.5674 1.7379 1.3439 0.5730 0.7122 0.8576 0.2414 0.6615 1.4202 0.8533 0.7972 0.4813 0.7663 0.7191 0.8348 1.3275 0.9565 1.1989 0.7010 1.0134 1.0468 3.5264 1.3315 1.5999 1.0707 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 0.1057 4.8304 1.5094 0.6073 1.1103 2.9199 1.0901 1.5665 1.3099 0.3270 1.1620 0.5560 0.2790 0.1053 1.0798 0.4084 1.5392 0.4229 1.7032 4.2279 0.2580 1.4072 0.0455 0.1090 2.3911 3.8569 1.6275 4.5319 0.5119 0.1582 3.4567 4.1961 2.0525 1.0128 0.8014 1.5500 0.1603 0.3980 4.0778 0.8583 1.0631 2.4888 2.7980 0.2495 0.6673 0.5507 0.7282 4.4900 1.6802 2.4055 1.1791 1.3679 1.3773 2.0636 0.8134 0.8144 0.2297 2.6555 0.6044 0.1193 2.6361 3.0376 0.6705 1.7983 0.8023 4.6402 0.7253 0.1196 0.5520 0.9319 0.1189 2.7874 0.2313 0.5138 0.7154 2.0024 0.4568 1.6003 2.4991 3.2444 0.3793 0.1370 1.0112 1.1312 0.7232 0.3283 0.5223 0.3475 0.2862 0.4769 1.2898 1.1597 0.1038 0.6105 1.2837 1.2207 0.8630 1.2378 1.8761 0.9334 0.5224 0.7420 5.3530 0.9888 2.9339 0.6392 3-decenoylcarnitine 0.8317 0.3011 0.4149 0.1541 0.4639 1.1555 1.3697 0.1242 1.4549 0.1242 0.1242 0.5115 0.1242 1.3281 0.4948 0.1242 1.2233 0.2768 0.6520 1.0146 0.1242 0.3852 0.2958 0.1242 0.4722 0.3478 0.6463 0.2234 2.0399 1.5341 0.3739 0.3918 0.6543 1.7130 0.9867 0.1242 0.1242 1.4987 0.1242 0.6515 1.2424 0.4419 0.8301 1.3285 2.4067 0.4509 0.1486 0.9467 2.2726 1.3380 3.0636 1.3335 1.3613 1.2864 0.2497 0.9795 0.9815 2.4745 0.1242 0.1242 1.5549 1.1492 1.6410 1.6380 0.4010 0.8037 0.1242 0.1242 2.0115 1.1858 2.4318 2.6044 1.9389 0.9398 0.7767 0.9575 0.3177 2.0846 0.6435 0.1242 1.2197 2.0005 0.7771 1.1744 0.4960 0.1242 1.0000 0.8581 0.1242 1.1255 2.1872 1.8002 0.1242 0.5262 1.4457 2.2283 0.1242 2.3415 0.3553 0.1242 2.1563 0.4854 1.1113 0.8789 2.2787 2.3188 3-ethylcatechol sulfate (1) 1.0065 5.4413 4.2141 0.1171 0.6529 0.1171 3.5535 0.3068 0.8423 0.6167 2.6399 1.7033 1.2670 6.6723 3.9107 1.1566 0.9757 0.7598 0.9935 1.2275 0.2613 0.4147 2.5229 2.0729 1.6183 0.9097 1.1181 1.2392 0.3892 0.5065 1.2342 0.9537 2.4980 2.9018 1.2107 1.8768 0.5255 4.2771 0.9798 1.0130 0.5455 1.3782 1.5618 2.1573 0.6612 3.8210 0.3750 0.3969 1.0479 0.5741 0.5016 0.1171 3.0243 0.7045 0.7148 1.3681 0.3751 1.9490 2.3179 1.5518 1.7941 1.7057 0.1471 0.4894 0.8432 1.1361 2.6763 0.4955 1.1730 0.9341 0.4483 0.4729 1.6770 0.3470 0.2134 0.2573 1.0856 1.9642 0.5321 0.1652 0.5435 2.0176 0.9775 0.7476 0.6375 0.6076 0.1171 1.5872 1.2031 2.5932 1.2304 1.1363 0.6902 2.2987 0.1171 0.7135 0.4332 0.1171 0.5262 0.1171 0.7053 0.1794 0.9594 0.8488 1.1860 2.6996 3-formylindole 0.6492 1.3355 0.5517 1.1765 0.3906 1.1164 0.8232 0.8154 1.6747 0.4435 0.7557 0.8252 0.9561 0.5550 1.4536 0.5099 1.3596 0.7146 1.0340 1.3882 0.6254 0.7219 1.1952 1.0863 0.6314 0.7638 1.5247 0.8002 0.5865 1.1494 1.0450 1.3565 1.0878 1.6775 1.4043 0.5531 0.4522 1.3073 1.2984 1.1884 0.8623 1.0246 1.1350 0.5539 0.7697 0.8181 0.8672 0.9778 0.8984 1.4559 0.9079 0.5815 0.8349 1.6485 1.0200 1.1523 0.9202 1.5923 0.7752 1.0144 1.1664 1.4547 0.8418 1.4214 0.8924 1.3220 0.7451 0.7738 1.6129 1.5181 1.4412 2.0671 0.9066 0.4055 1.0587 0.7055 0.5694 1.1532 0.7277 0.7337 1.0858 1.0655 1.0040 1.1931 0.9702 0.6559 1.7003 0.4822 0.9471 1.2582 0.9213 2.0644 1.0905 0.5838 1.1331 1.4018 1.4407 1.1093 0.9960 0.9759 0.9886 0.6738 1.1848 0.8217 1.1714 1.3888 3-hydroxy-2-ethylpropionate 0.8064 1.7524 0.9836 0.6237 1.4178 0.7964 0.8167 0.7547 0.9673 0.5186 1.3444 0.7565 1.9983 0.8693 1.1382 1.0552 1.2362 0.4981 0.8151 0.9950 0.7083 0.8950 0.7646 1.2346 1.0578 0.8592 0.7397 0.9813 1.7516 0.8914 0.8551 1.0050 1.1798 0.9561 1.3101 1.1710 0.6920 1.1749 1.5220 1.1886 0.5715 1.2127 0.8550 1.0224 1.7016 1.4161 0.7784 0.9058 1.0654 1.0955 0.7401 1.7893 0.7411 1.4198 0.9232 0.7651 0.5749 2.0765 1.1297 1.8190 0.9175 0.9547 1.6549 0.8894 0.8099 1.4177 0.7579 1.3533 1.2282 1.2458 1.8391 0.9248 1.5106 1.6686 0.7010 0.7171 1.2408 1.8601 1.3230 0.6681 0.8301 1.5550 1.3077 1.5092 0.7957 0.9162 1.7817 0.8181 0.8316 1.8674 1.7552 1.2917 1.0614 0.9794 1.0484 0.8646 0.8676 1.0394 0.6072 0.9551 1.5061 0.6833 1.0301 1.0098 1.4454 0.7709 3-hydroxy-2-methylpyridine sulfate 1.0108 0.4579 4.1693 0.0935 0.0835 0.0851 0.2207 0.0835 0.1763 5.1643 3.6945 1.3077 3.6395 4.3965 5.7466 1.8181 2.2901 2.0182 1.8012 1.0195 0.0839 0.0835 2.8884 1.9592 1.7939 1.4970 2.4940 1.7212 0.2052 1.1781 0.2153 2.6343 1.3554 2.6307 1.5115 2.6405 0.2418 4.7244 4.9730 0.5926 0.0835 0.0835 2.7975 0.2933 0.7830 10.9818 0.5129 0.8179 0.0835 1.0358 0.9892 0.0835 2.5767 1.0145 0.4707 1.2843 0.0835 2.7266 4.5951 0.1541 3.6908 4.3531 0.0835 0.0835 0.5248 0.2493 0.3215 0.2477 0.3658 0.0835 0.0835 0.2613 0.4441 0.2851 0.0835 0.0835 0.0835 0.1367 0.0835 0.0835 0.1136 0.0835 0.0835 0.0835 0.0835 0.3433 0.0835 0.1857 0.0835 0.2426 0.0835 0.1092 0.0835 0.4171 0.0835 0.1432 0.0963 0.0835 0.1497 0.0835 0.1221 0.0835 0.0835 0.0835 0.6285 1.0231 3-hydroxy-3-methylglutarate 1.5326 0.7646 1.0130 0.9630 0.7544 0.7098 1.0779 0.8366 0.6465 0.8961 1.2750 0.6470 1.7642 1.3909 0.6776 1.2211 1.0610 1.3265 1.0300 0.8127 0.8660 1.0452 0.8999 1.3950 1.0530 1.3621 0.7722 0.8259 2.4956 1.0283 1.1006 0.9474 0.6749 1.8428 1.2069 1.8291 0.9366 0.9867 1.0902 0.4523 0.4056 1.1413 0.9996 0.5144 1.5038 1.1789 1.0990 0.6047 0.6383 1.3568 0.7519 1.8595 1.1117 0.8377 1.4364 0.8079 0.9144 1.6976 1.4146 1.4664 0.9664 0.7240 0.9479 0.7472 1.6717 0.8658 1.5246 1.7303 0.9358 1.0723 1.0658 1.3975 1.2370 1.8712 0.8282 0.8250 1.0122 2.1890 1.1257 0.6477 0.9198 0.9700 1.6107 1.0348 0.5893 0.6349 0.7108 1.0643 1.0756 2.0176 1.4600 1.0744 1.0751 1.0028 0.8081 0.9238 0.4439 0.6505 0.4579 0.4735 0.6676 0.6024 0.4892 0.5834 1.0004 0.6185 3-hydroxyadipate* 0.9288 2.5711 2.1012 2.1433 0.5338 1.0053 0.5165 0.4920 1.0000 0.3860 2.4639 0.5973 3.6957 5.5588 1.9695 2.0360 1.1124 0.2549 0.7361 0.7766 1.0918 0.9127 0.3759 1.8379 1.0814 1.1889 0.2917 0.5259 2.9312 1.3593 1.9025 0.4165 4.7508 1.2886 2.2643 1.2749 0.9550 0.8006 4.1800 0.7110 0.2311 1.6404 0.6126 2.7851 2.9430 1.3782 1.0855 0.6895 0.5049 1.0663 0.3432 2.3689 0.3225 0.4364 1.2902 0.6634 3.2716 1.2340 1.6380 1.5331 0.9077 0.6717 1.2028 0.4653 1.8886 0.8613 0.2311 7.1873 1.7177 1.0510 1.3624 0.5434 3.3133 2.7781 0.8175 3.0596 0.3111 3.4158 1.5475 0.5382 0.5411 1.0889 0.5962 2.0924 0.7411 0.7823 0.6106 1.3586 0.6661 2.6956 1.7451 0.8362 0.6787 0.9165 0.5703 0.2311 0.7524 0.6481 0.2311 0.2980 0.6177 0.4776 0.7644 0.4222 1.7021 0.4190 3-hydroxybutyrate (BHBA) 0.5678 0.4856 0.6035 0.3979 7.0069 0.3483 0.5961 0.2506 0.5008 0.1750 0.7274 2.0544 2.1535 1.2887 1.7285 2.0754 1.0445 0.3028 0.4401 0.5874 1.1015 0.2861 0.7703 0.6881 1.4215 0.4931 0.2066 1.5924 1.7176 1.1630 2.2524 0.3951 0.8832 0.6308 0.4437 1.3580 0.7409 0.4417 0.9611 6.1295 1.8434 0.8203 0.4278 3.3528 4.1007 1.3869 0.8457 2.6884 1.2594 0.2924 1.0389 3.7941 0.5796 0.2624 0.8646 1.0889 0.4965 1.1142 0.7846 1.0917 0.5924 1.1141 2.9666 1.8154 0.5150 1.7976 0.7233 1.6079 0.5109 1.2628 2.0296 0.4197 4.6233 19.7873 2.2528 0.6715 2.8308 8.4918 3.9527 0.7461 0.4036 9.5097 0.3264 0.8583 1.1993 1.3277 1.9684 6.0640 2.3678 1.2759 4.1291 0.8678 3.2194 1.3606 0.3826 1.4133 0.5750 1.4656 0.1767 0.6185 2.8931 0.8368 0.8731 4.1762 0.8897 0.2823 3-hydroxybutyroylglycine** 0.4266 6.9054 0.9055 1.2620 1.6849 0.9902 1.8119 0.5088 0.4880 1.1169 1.2086 0.7429 0.6181 1.4575 1.5129 2.2679 1.8167 0.5852 0.5556 2.3210 1.5627 0.7354 0.6941 0.5918 1.3226 0.6468 0.2755 0.7396 4.2128 0.3717 0.9786 0.4012 1.0098 1.4430 0.5547 0.9245 0.2978 1.3466 0.7281 0.8731 1.2670 0.2862 0.8743 1.7433 1.6190 0.5401 1.0458 1.8386 0.7842 0.4748 0.4322 1.8060 0.3840 0.3519 1.2847 0.7409 1.0753 0.6806 0.7796 0.6391 0.7685 0.6208 2.0130 0.5787 2.1935 0.6229 1.1373 3.5839 3.9667 1.0102 1.0269 0.6431 2.7616 3.3306 1.1188 1.5908 1.2047 2.9680 1.6717 1.4193 0.9863 2.5546 0.7034 1.6493 0.5201 1.5053 0.7812 0.5517 1.1494 2.0321 2.2602 1.1591 1.4005 0.6068 0.5724 0.6209 0.5659 1.2853 0.3143 1.3256 1.2420 0.5026 0.8004 1.2386 0.9779 1.6115 3-hydroxycotinine glucuronide 0.3181 0.9160 1.7818 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 3.8938 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 1.0106 0.3181 0.3181 0.3181 0.3181 3.1148 0.3181 0.5711 0.3181 0.3456 0.3181 1.7993 0.3181 0.3181 0.3181 0.3181 0.5440 0.3181 0.3181 0.3181 0.9343 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 1.2878 0.3181 0.3181 0.3181 0.3181 0.3181 0.9894 1.7345 0.3181 0.3181 0.3181 0.3181 1.0584 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3181 0.3330 0.3181 0.3181 3-hydroxydecanoate 0.7182 0.7718 1.2276 0.2228 1.4988 1.5763 1.4340 0.1483 0.9981 0.1706 1.3121 0.8437 2.4919 3.5670 2.8218 1.2467 0.7249 0.3239 0.6177 0.7204 1.8519 0.3773 0.9440 5.3126 1.3875 0.6615 0.3309 0.6821 2.2364 1.8576 1.6274 0.8705 2.0026 0.6512 2.7608 2.9730 1.4771 0.5100 2.8849 1.3119 0.9052 2.2044 0.9075 1.9227 2.7023 1.0692 1.4847 0.5948 0.9421 0.8084 0.9730 4.0606 0.4504 0.6826 1.0842 1.1333 3.0549 2.4417 1.0571 4.6174 1.1116 0.9758 0.8921 0.7867 0.7112 0.7928 0.4624 3.7328 0.7090 0.7365 1.9178 1.3666 2.8369 0.5191 1.1855 1.9007 0.7176 2.1372 1.4372 0.8896 0.4661 2.3425 0.8869 0.9411 0.7477 0.6897 0.8581 1.7502 0.6582 1.2020 0.9433 1.0849 1.6971 0.6950 0.7720 1.1974 1.1085 1.6517 0.3069 1.0026 0.8189 1.0019 0.6529 0.7906 1.4795 0.3358 3-hydroxydecanoylcarnitine 0.7350 0.3310 0.4628 0.1150 0.4824 0.7704 1.3732 0.1133 1.8624 0.1133 0.4654 0.4582 0.6260 1.9330 0.6010 0.5247 1.2765 0.2094 0.6214 1.4462 0.9204 0.2416 0.3122 0.3623 0.5379 0.3220 0.5278 0.4133 2.8995 1.9654 0.4006 0.3900 0.7679 1.6087 1.1235 0.2918 0.5493 2.4143 0.5448 0.6103 1.0161 0.4226 0.8211 2.0318 4.2796 0.4230 0.1594 0.9277 1.9440 1.2015 2.6484 1.3818 1.1963 1.7373 0.1587 0.8103 0.7741 3.1784 0.5608 1.0222 2.3522 1.1238 1.7809 1.9125 0.3472 1.2840 0.6827 1.2002 1.6601 1.6695 3.3682 3.5734 2.8531 0.6946 1.0109 0.8721 0.4650 2.7643 0.7510 0.7136 0.9156 3.2924 1.0000 1.1546 0.7322 0.8876 1.2868 1.1060 1.5690 1.2147 2.8164 2.0194 0.7882 0.5150 1.3894 2.2640 2.9030 3.7062 0.4064 1.0891 3.1233 0.5971 1.5880 1.1081 3.5131 2.1568 3-hydroxydodecanedioate* 0.6719 0.5014 1.7773 0.1917 2.2664 1.9161 1.6100 0.2112 1.0978 0.0957 2.0537 0.6347 3.5103 7.8366 5.3226 3.8781 0.8528 0.2183 0.3986 0.3719 2.2560 0.1638 0.6257 5.0300 1.0894 0.5692 0.2279 0.3458 2.9298 2.3225 2.0547 0.3484 2.6106 0.8449 2.4912 2.9257 1.0861 0.4419 5.8299 0.6679 1.0902 2.7079 0.4261 5.2338 7.3049 1.0983 1.6577 0.4740 0.4840 0.6113 0.6742 23.0849 0.3107 0.3246 0.7162 1.1055 6.4301 3.4318 0.5984 3.4707 0.8631 1.0065 3.5708 0.7693 0.7917 1.0717 0.2585 4.6710 0.7957 1.0000 1.2081 0.7295 4.9750 0.7120 1.0924 2.2827 1.0074 5.8251 1.0115 0.5952 0.3462 5.9463 0.4582 1.0364 0.2455 0.5851 1.4219 2.3919 0.3880 1.7968 1.6203 0.6538 1.0999 0.5942 0.3944 0.9360 0.8157 0.9926 0.0957 0.3531 1.5420 0.9375 0.3879 0.5814 1.8980 0.2233 3-hydroxyhexanoate 1.3916 1.2924 1.6326 0.4766 1.3394 1.1264 0.8155 0.2945 0.8907 0.5737 0.8926 0.8205 3.1557 2.3189 1.2807 2.0173 1.0712 0.5025 0.7442 1.0135 1.2047 0.4524 1.0884 2.4850 0.7648 0.6292 0.3938 0.8302 3.8316 1.3710 1.6624 0.7612 1.2913 0.9673 1.6980 2.5517 0.9421 1.3118 2.3890 1.6738 0.7171 1.0392 0.7462 0.9898 1.3982 0.9047 1.4216 0.9065 0.7011 0.8004 1.1826 0.7704 0.6586 0.9197 0.6744 1.1826 1.2577 1.3730 0.9868 2.6253 1.2430 0.7217 1.3817 0.8005 0.8622 1.0524 0.5429 2.2095 1.2516 1.0307 1.5603 0.9338 2.3011 1.7025 0.8414 1.5720 0.5526 3.2366 1.5004 0.5697 1.1812 1.5887 0.9335 1.0102 0.6528 0.7515 0.8541 0.9739 0.6006 0.8862 1.0882 0.7861 1.3924 0.6298 0.5947 0.5847 0.9314 1.3073 0.2948 0.7300 1.6003 0.7098 1.0472 1.0451 1.5663 0.5824 3-hydroxyhexanoylcarnitine (1) 1.0009 1.0396 0.5311 0.2707 0.6663 1.0712 1.1227 0.6429 0.9363 0.2707 0.8080 0.5537 1.3190 1.4792 0.9185 1.1190 1.2852 0.2707 1.1919 1.3920 0.6560 0.5084 0.5345 0.6383 1.0970 1.1266 0.9592 0.2707 1.3161 0.8884 0.7990 0.2707 0.7868 0.7312 1.1412 0.6966 0.8311 1.4676 0.7402 0.9876 0.9141 0.4142 0.9568 1.0664 1.5894 0.8383 0.2707 1.0476 1.3401 0.6994 0.9450 1.0988 0.9278 1.0173 0.9881 1.0530 0.6229 1.4375 0.9690 0.8124 1.4133 0.7609 2.6929 1.2653 0.2707 0.2755 1.1855 2.3571 2.2937 0.9323 1.9778 1.3153 2.2102 0.9932 1.1210 0.9793 0.8311 3.1913 0.9455 1.3510 1.0927 1.4605 0.9162 1.3340 0.5469 0.2707 0.7886 0.9138 1.2137 0.6262 1.4328 1.2796 2.5833 1.0726 1.0275 0.9991 0.8568 1.3882 0.2707 0.9319 1.6190 0.7170 0.6639 1.1523 1.8616 1.3695 3-hydroxyhippurate 0.4245 1.6596 1.3888 7.6536 0.2303 0.5917 0.4176 0.1674 3.9993 0.4140 0.5897 0.4331 0.5776 0.8382 0.9198 0.3854 14.4805 2.7899 0.5297 12.1999 0.4930 2.1387 6.7401 0.3675 0.1056 0.5202 1.2907 0.9852 0.1953 0.3971 3.0231 0.3368 6.5807 3.1649 5.4349 1.7943 8.4032 0.4302 0.6293 0.5331 0.1318 1.0148 0.1532 3.4100 1.4880 0.5671 2.3188 4.6393 10.3333 0.9211 1.1008 0.8297 1.3998 0.9772 0.9822 0.7736 3.9448 0.4119 0.6747 1.1981 4.0481 0.3580 0.1134 0.5628 0.6523 8.3746 2.1617 5.2271 4.4864 5.4609 3.3298 9.5093 30.3472 2.0234 1.9955 0.7907 0.9099 1.8757 1.7776 3.7866 3.8608 0.7563 0.5127 0.2086 6.8390 1.7593 0.1042 5.0984 2.0303 5.8561 2.5614 0.5917 0.3334 0.3352 0.5862 0.7665 0.5001 0.8503 2.9480 2.9623 0.4529 1.5517 3.5724 0.3799 3.3758 3.4117 3-hydroxyhippurate sulfate 0.1210 0.9976 1.4079 5.6030 0.1210 0.1210 0.1210 0.1210 1.2540 0.1210 0.2841 0.1302 0.6068 0.1937 0.1210 0.1210 6.3900 1.5109 0.1210 4.6086 0.1210 1.0431 3.3131 0.1210 0.1210 0.2028 0.6102 0.4777 0.1210 0.1210 0.9341 0.1210 5.3462 4.3030 2.0772 1.4598 2.2942 0.1210 0.1210 0.1210 0.1210 0.9118 0.1210 1.0000 0.4757 0.1210 1.3437 1.6170 3.8320 0.7812 0.4420 0.1210 0.7950 0.1210 0.6426 0.4062 0.6583 0.3205 0.2873 0.1210 0.8376 0.1210 0.1210 0.1210 0.4919 5.2306 0.5763 3.5953 2.2991 3.3559 2.5943 5.1107 13.4448 0.7010 1.0378 0.3423 0.1210 2.8725 0.8873 0.1210 1.5127 0.1210 0.1210 0.1210 2.2535 0.4308 0.1210 1.8840 0.6858 4.9150 2.2190 0.1210 0.1210 0.1210 0.1210 0.2125 0.1210 0.3562 0.6657 0.7565 0.1210 0.2790 2.0514 0.1210 1.1453 1.8180 3-hydroxyindolin-2-one sulfate 0.6441 0.5219 1.4617 0.5219 0.5219 0.7333 0.5219 0.7478 0.6184 0.5219 1.1171 0.5219 6.4677 0.9224 0.5219 1.5403 1.5189 0.8607 0.9867 0.5219 0.5219 0.6951 0.5219 1.9487 0.5219 1.5287 0.5219 0.5219 2.6951 1.0075 1.6914 0.5219 3.3432 4.2774 0.5219 1.2375 0.5219 0.8945 1.6677 0.5219 0.6089 0.5219 1.5775 0.6183 0.5219 0.5219 0.5219 0.9925 1.0392 1.6512 0.5219 0.5219 1.4644 0.8601 0.9900 0.5219 0.5219 1.4189 0.9218 1.3298 0.5219 0.5219 0.6379 0.5219 4.5024 0.9066 0.5219 1.8643 2.0741 0.5219 0.6878 1.4418 1.7566 1.0803 0.5219 1.2010 0.5219 0.8237 1.4675 0.5219 0.5597 0.7999 0.9015 1.4681 0.5219 0.5219 0.6676 0.5219 0.5219 0.9375 2.2753 0.8568 0.6725 1.0645 0.5219 0.5219 0.5714 0.7051 0.5219 0.5219 0.5219 0.9217 0.5252 0.5219 1.3681 0.5659 3-hydroxyisobutyrate 0.5708 0.9882 0.6727 0.6588 2.3206 0.5213 0.4741 0.4964 0.5797 0.3579 1.2030 1.1789 2.7749 0.9052 0.5935 0.1954 1.1813 0.7273 0.9950 0.6039 0.8338 0.7291 0.8867 0.9535 1.8444 0.8244 0.6140 1.7228 0.9873 1.3551 1.2598 1.1674 1.5408 0.3834 1.2731 1.2911 0.7246 0.6720 1.1114 2.5410 0.8928 0.8867 1.3684 1.4663 2.0866 1.8600 1.2085 1.2505 0.9250 0.7396 1.1105 3.3663 0.6063 0.7823 0.9723 1.2260 0.4857 1.8035 0.8566 0.9568 0.8808 1.7820 1.9712 1.2464 0.5419 1.1634 1.1968 1.4522 0.8243 1.2363 1.7155 0.7517 1.8435 0.1954 1.4972 0.7330 1.0814 2.1755 2.2752 0.2252 0.6685 3.0955 0.7284 1.0954 0.9368 1.0866 2.1105 1.5790 1.7768 1.1300 1.8578 1.0417 1.9059 1.2566 0.9281 1.1461 0.5887 1.0000 0.4908 0.5764 1.1392 0.7398 0.7252 1.6316 0.6592 0.5508 3-hydroxylaurate 0.6361 0.7003 0.9299 0.2072 2.1546 0.7289 1.4610 0.1333 0.6795 0.1341 0.7871 0.8738 1.1549 2.1934 2.6237 0.6995 0.7655 0.3012 0.5837 0.8002 0.7380 0.4804 0.8908 2.6562 1.1579 0.6539 0.4152 0.8230 2.8568 1.4071 1.2459 1.1045 0.9444 0.7184 1.0581 1.3893 0.7961 0.6777 1.5302 1.3235 1.0676 0.7128 1.2508 1.1108 2.3088 0.9840 0.9116 0.5631 1.1353 0.6703 1.1158 2.4287 0.4135 1.0287 0.4344 0.6203 1.6572 1.2379 1.0814 2.9461 1.3585 1.2189 1.0291 0.8628 0.5549 0.9286 0.5306 2.1326 0.8576 0.7838 2.5045 2.1664 3.6821 0.6949 1.6064 1.5038 0.6617 2.0114 1.9413 1.0845 0.3585 3.1693 1.0201 0.9488 0.8099 0.8508 1.2455 2.1802 0.9154 0.8847 1.2101 1.2842 1.3311 0.8051 0.9026 1.6858 1.5573 2.1098 0.4099 1.3264 0.9022 1.0416 0.6627 1.0160 1.5604 0.3728 3-hydroxymyristate 0.4936 0.5863 0.9113 0.3486 2.1151 0.6371 1.1348 0.3216 0.7703 0.1738 0.5241 0.9722 1.1122 1.7070 1.8370 0.6289 0.5721 0.3321 0.7066 0.5905 0.6956 0.4756 0.8454 1.8641 1.0636 0.4414 0.6444 0.7260 1.9436 1.1411 1.0904 0.9639 1.1674 0.6558 1.0191 1.3949 0.8203 0.6548 1.4961 1.1220 0.8418 0.7243 1.2693 1.1028 2.0623 1.0337 0.7078 0.5093 1.0809 0.7462 0.7465 2.1981 0.3534 1.2163 0.3986 0.5916 1.7134 0.8135 0.9837 2.3809 1.2624 1.2848 0.8475 0.6840 0.7473 0.9341 0.7117 1.4794 1.0243 0.9075 2.3984 2.8093 2.8198 0.6941 1.4401 1.5065 0.7286 1.8359 1.7425 1.0631 0.3914 2.6168 0.9720 1.0770 0.8198 0.8490 1.2422 1.6156 1.2172 1.1274 1.2347 1.2798 1.2463 0.9272 1.0390 1.4402 1.5320 1.3839 0.3784 1.2573 1.0163 1.0432 0.5609 0.8206 1.3018 0.4062 3-hydroxyoctanoate 0.7346 0.9040 2.2380 0.2859 1.0783 2.6422 1.4795 0.2822 1.4573 0.2181 1.5901 0.7197 5.8578 4.5159 2.4087 3.5574 1.0241 0.3683 0.8769 0.7770 3.3571 0.3808 0.9935 7.4922 1.2927 0.7390 0.3247 0.6012 2.3895 2.4641 2.3370 0.7727 3.2293 0.9400 4.5450 4.7032 2.4135 0.8835 6.1765 1.5190 0.6947 2.9318 0.8111 2.3375 3.3027 1.0474 2.4281 0.7611 0.8353 1.0665 0.9167 2.4896 0.5142 0.5349 1.5012 1.6764 5.4303 2.9040 1.3411 5.0919 1.0599 0.8839 1.0065 0.8152 0.7830 0.7835 0.4458 5.4519 0.8086 0.6669 1.9060 1.0219 2.3730 0.9393 0.8305 2.2473 0.7548 2.5341 1.5232 0.7322 0.6165 1.8908 0.8052 0.9738 0.6610 0.6503 0.7627 1.2912 0.6445 1.3951 0.9038 0.7570 2.4098 0.5283 0.8329 0.7698 1.0863 1.2731 0.3090 0.8488 1.0174 0.7423 0.7704 0.6953 1.6789 0.4251 3-hydroxyoleoylcarnitine 0.2516 0.2373 0.2373 0.2373 0.2373 0.7031 0.3397 0.2373 0.8481 0.2373 0.2373 0.4638 0.5608 3.1249 0.3839 0.2604 1.3204 0.2373 0.3309 0.8823 0.9977 0.2373 0.2373 0.4391 0.5805 0.2373 0.2373 0.2373 2.0404 1.3819 0.2570 0.2373 0.6344 0.8795 1.6525 0.2788 0.5531 1.1034 0.2373 0.6533 1.0392 0.2373 0.6177 2.2025 5.4464 0.2373 0.2373 0.3529 1.8870 0.8623 1.5670 1.5992 1.4678 0.5328 0.2373 0.8164 0.9373 2.2508 0.2373 0.6508 1.0000 0.9497 1.8341 1.4675 0.2373 1.2312 0.2373 2.9277 1.4448 1.1675 2.7560 3.1483 4.1523 0.6658 0.8496 1.5283 0.2373 2.0902 0.7449 0.8870 0.5048 3.6084 0.5346 1.7848 0.4914 1.0406 1.6303 1.8860 1.9316 2.0785 2.0868 1.3458 0.8137 0.3178 0.9747 2.0358 1.2648 1.6266 0.2373 0.4336 1.8938 0.6559 0.8403 1.5165 1.3416 1.8579 3-hydroxyphenylacetoylglutamine 0.3297 2.2140 0.3297 1.6229 0.3297 0.9543 1.0880 0.8608 0.6516 1.1284 1.1667 0.3297 2.4215 0.3297 0.3297 1.1412 0.3297 0.5701 2.1876 0.8322 0.3297 1.4488 0.5672 0.3297 0.3297 2.9683 0.4524 0.3297 0.4634 0.6443 0.3297 1.3326 0.8219 0.8647 0.3297 0.3297 0.3297 0.4696 1.3516 0.3297 0.5191 0.3297 1.0273 0.3297 0.5611 7.3525 0.3297 1.8258 0.4461 2.7893 0.3297 0.6606 0.9559 0.6603 1.2724 1.0335 0.3297 1.6682 1.0733 0.6639 1.5137 0.3297 0.3800 0.4751 0.6269 0.4253 0.6715 2.2173 0.6134 2.0744 0.3297 0.8843 1.0687 0.3297 0.3297 0.3297 0.5426 1.4750 0.3297 0.3297 0.3297 0.3297 1.8741 1.6012 0.3297 0.3771 0.6121 0.3297 0.3297 1.1272 10.5911 0.6444 0.3297 2.3418 1.3093 2.4115 0.3297 0.3891 1.0249 1.0000 0.8789 0.3297 0.5856 0.5140 1.2706 1.1567 3-hydroxypyridine glucuronide 0.3622 0.9408 2.1342 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 2.7092 2.6275 0.9832 1.3479 2.6832 3.8135 1.0500 1.6658 1.0202 1.2055 1.3092 0.0881 0.0881 2.2280 0.6192 1.9416 0.6025 1.7939 1.1248 0.5811 1.8699 0.0881 3.1423 1.0049 1.6323 0.9764 1.0000 0.0881 4.2670 2.2496 0.5673 0.0881 0.0881 1.2328 0.1926 1.1626 13.5698 0.1948 0.3474 0.0881 0.5876 1.0135 0.0881 3.4109 0.8197 0.0881 0.9681 0.0881 0.2972 4.7794 0.0881 2.1728 4.3039 0.0881 0.0881 0.5225 0.2194 0.4154 0.0881 0.3125 0.0881 0.0881 0.0881 0.8200 0.1998 0.0881 0.0881 0.0881 0.3604 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 0.3217 0.0881 0.0881 0.0881 0.6086 0.1190 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 0.0881 0.1176 0.0881 0.0881 0.2958 0.5237 3-hydroxypyridine sulfate 1.7566 1.2869 5.2643 0.3411 0.1511 0.1935 0.7879 0.1565 0.4930 7.5559 5.2890 1.6727 3.3850 4.1732 6.3431 2.2027 2.5586 2.7760 2.8946 3.2185 0.3537 0.5723 3.2057 2.4340 2.5996 2.1383 2.9041 3.0936 0.8297 1.2452 1.0075 2.5227 3.1940 3.1030 1.8508 2.7574 0.6885 5.7426 3.9533 1.4018 0.2764 0.3294 3.6069 0.8532 1.3337 8.4819 1.2786 1.3014 0.5353 1.7842 2.0616 0.0989 3.6117 1.6555 0.4281 1.9576 0.3812 3.7739 5.4776 0.3105 3.6338 4.7836 0.0840 0.1961 1.0888 1.1180 1.5039 0.1766 1.1909 0.0742 0.4211 0.7244 1.4559 0.5930 0.4597 0.3236 0.1439 1.5284 0.5681 0.1089 0.6071 0.1840 0.7874 0.4112 0.3344 0.9925 0.1105 0.3100 0.2695 1.2086 0.8202 0.5799 0.1598 0.8035 0.0683 0.7792 0.4794 0.3489 0.7805 0.5432 0.6407 0.2921 0.6662 0.2630 1.3858 2.8086 3-hydroxysebacate 0.3660 0.7809 2.4220 0.0565 1.0554 1.4519 1.2426 0.0565 0.9892 0.4817 2.1107 0.4771 4.8657 9.3743 3.3218 3.7692 0.9009 0.1867 0.0565 0.2915 2.4208 0.3499 0.0565 2.3481 0.6376 0.6752 0.0565 0.4351 3.5370 2.1951 2.7808 0.3133 2.8887 1.1592 2.6819 2.2166 1.7040 0.7035 8.1246 0.0565 0.5558 2.9387 0.3189 5.1234 5.8277 1.2808 1.9209 0.5341 0.4356 0.8014 0.3551 8.8048 0.2698 0.0565 0.9168 1.3067 5.1867 3.0909 0.8860 2.3225 1.0805 0.7384 1.9483 0.4497 1.0152 0.9008 0.0565 5.5953 1.9903 0.7099 1.2327 0.5303 3.8539 1.2499 0.6660 2.1493 0.7860 5.9559 0.9339 0.4626 0.3485 2.9047 0.0565 1.0904 0.0565 0.7705 0.6582 1.5185 0.2941 1.9972 1.5563 0.4199 1.0000 0.4867 0.4430 0.4133 0.4561 0.7648 0.0565 0.3413 1.2507 0.9319 0.3613 0.3481 1.6408 0.0565 3-hydroxystachydrine* 0.2933 4.9905 0.0928 0.3586 0.0425 0.5240 0.0425 1.0000 0.8830 24.9922 3.8541 0.4277 1.8480 0.3545 0.2269 0.3463 0.7665 1.2290 0.0921 1.2204 4.2873 0.0425 0.4630 0.5873 1.6704 4.2265 27.6845 0.0695 3.6325 0.4148 4.6383 17.6810 0.1460 8.4189 0.9860 3.4259 40.9520 0.0425 0.9163 2.2539 1.1000 9.4238 1.1780 0.5919 0.4470 1.0408 0.6624 2.0926 0.1321 9.4578 0.9312 0.4829 0.1790 1.1026 3.7203 0.7049 0.3367 13.2801 0.4217 29.0967 0.2833 0.8384 2.1124 0.2773 0.6074 9.4919 1.2284 3.8225 0.3999 0.4508 2.8012 0.0425 12.7093 0.0425 3.4323 0.4860 0.3502 6.0814 3.8186 0.4910 1.4526 2.7407 1.7602 0.4573 0.1834 0.6274 6.9747 0.1040 44.2665 22.1502 0.3235 2.0431 0.2359 0.0425 0.0425 1.7856 0.0425 2.8787 0.3543 0.0425 0.0880 0.0678 3.6198 3.3978 1.8327 0.2492 3-hydroxystearate 0.6567 0.9304 0.5392 0.5339 2.0946 1.0802 0.8692 0.3149 0.8231 0.7269 0.8827 1.0614 1.2094 1.2744 1.0853 0.5886 0.8153 0.5374 0.8836 0.1065 0.7893 0.7724 0.5545 1.8940 1.0855 0.7193 1.0871 0.7604 1.0421 0.9943 0.6704 0.9197 1.0408 1.0087 0.8839 1.2348 0.8563 0.8058 1.0167 1.2659 0.9224 0.7649 0.8882 1.1228 1.2749 1.8879 1.0666 0.1065 0.9686 0.9902 0.8491 1.8830 0.6037 1.8533 0.5899 0.6971 0.9201 0.1065 0.7643 1.6109 1.3835 0.9465 1.5885 1.0847 1.0728 1.1533 0.7138 0.9952 0.6807 1.0662 1.6441 3.0919 1.5968 0.6394 1.2521 0.9643 4.0886 1.2319 1.2915 0.8321 0.1065 1.5427 0.9505 1.2285 1.0575 1.0687 1.5620 0.9405 1.7659 1.5543 1.0048 0.9222 0.9305 1.0811 0.8363 0.8834 1.2025 1.0677 0.9104 1.1188 1.2243 1.2831 0.1065 1.0770 1.3430 0.6391 3-indoleglyoxylic acid 1.2552 1.1337 0.5028 2.0116 0.4065 0.9710 0.9064 1.1911 1.7757 1.2951 1.0069 1.1875 1.0613 0.5049 1.4105 0.7333 1.3176 0.8948 0.7987 1.4907 0.9849 1.0926 1.1163 1.1702 0.2891 1.0899 2.1380 0.8691 0.4285 1.5367 1.1357 1.1397 0.6197 2.3686 1.4005 0.6244 0.2891 1.7457 1.6935 1.0174 1.0167 0.8448 1.0558 0.3983 1.0091 0.7263 0.4518 1.1663 0.2891 1.6793 0.9147 0.7953 1.0915 2.0649 0.9245 1.4223 0.7763 1.9901 0.7554 0.6551 1.3408 1.3651 0.7661 0.9500 1.1217 0.9900 0.2891 0.5283 0.9479 0.8718 0.5156 2.8638 0.5330 0.3122 0.8175 0.5948 0.6676 1.0801 0.2891 0.2891 1.3432 0.8460 0.8817 0.8100 0.6378 0.6290 0.6373 0.2891 0.5962 1.3362 0.6126 1.5501 0.2891 0.5666 0.8368 1.3562 1.7692 1.6675 1.3086 1.1504 1.0032 0.8522 0.9751 0.6909 1.0000 2.4296 3-indoxyl sulfate 0.5931 1.8620 1.8668 0.3842 0.3920 0.7442 1.1078 0.9923 1.2189 0.5507 0.9690 0.8641 3.3206 1.6629 1.1088 2.1698 1.5127 0.9443 1.5135 0.6418 0.3805 1.1816 0.3921 1.5291 0.7747 0.8735 0.9646 0.8432 1.7336 0.8141 1.9913 0.6753 2.5889 1.4343 0.6389 2.2875 0.8690 0.4662 1.4105 0.2438 0.4577 1.3387 0.8276 1.1948 1.3104 0.4649 0.5638 1.2180 1.5175 2.8653 0.8238 1.3708 1.0645 2.1747 1.4105 1.1289 0.9835 2.1622 0.9488 1.4941 0.5557 0.9767 1.0065 1.3592 1.8739 1.6569 0.5870 2.0049 2.1874 0.7361 1.0068 1.5723 1.7495 0.6729 0.9935 1.2870 0.8601 0.6506 2.0080 0.6120 1.0750 0.8203 2.0463 1.6573 0.7897 0.7480 0.9559 0.6295 0.4849 1.7570 1.2815 1.0338 0.7136 1.5998 0.6607 0.1935 1.2932 1.1048 0.7724 0.6503 0.6377 0.8536 0.8246 0.6457 1.6473 1.0601 3-methoxycatechol sulfate (1) 0.8087 1.0927 2.3747 3.0659 0.4100 0.4095 1.5738 0.7642 0.4780 1.2564 2.5538 1.1846 1.3340 2.1711 5.3303 1.3006 1.0557 0.8856 0.6958 0.7473 0.5509 2.3943 1.9418 0.7609 0.6137 3.7338 1.0044 1.6622 0.7834 0.6264 2.2329 1.3727 0.2134 3.3955 1.3003 3.2684 4.5457 3.5544 2.6471 0.8745 0.1422 0.4178 2.1105 1.6257 0.6357 5.6750 1.0000 5.2849 0.5092 0.7215 1.0279 0.7379 1.9326 3.0305 1.0654 1.7068 0.1422 6.0846 3.5965 3.3570 3.8779 1.9135 0.1422 0.2681 0.4911 0.7287 0.5242 0.5080 0.7571 1.5068 0.3011 0.3807 1.2667 0.3621 0.2142 1.5630 3.3837 1.6467 0.5966 0.3419 1.9725 0.1422 0.6262 0.4679 0.3968 0.3562 0.1422 2.4171 0.4727 0.8705 0.8569 0.7492 0.1422 0.1607 0.3164 0.2479 0.2507 0.6264 0.3926 3.6832 0.2729 0.1422 0.1431 0.1422 1.2054 1.6548 3-methoxycatechol sulfate (2) 0.8458 2.6314 1.3803 2.1820 0.2407 0.3192 0.2407 0.6779 3.1593 0.5959 2.6001 1.0355 1.3628 2.1355 1.7636 0.4360 0.7871 1.8737 0.5332 0.6619 0.4362 1.6301 1.0605 2.4749 0.4726 0.2407 0.8565 1.3179 0.2407 0.5014 0.7503 0.2407 0.3537 2.0509 1.3243 1.1243 0.2407 2.4829 1.3458 0.3393 0.2407 0.5010 0.9185 0.2407 0.2407 1.5355 0.9971 1.1457 0.2407 0.2407 0.7212 0.2407 2.7407 1.5133 1.1058 0.9610 0.2407 1.3713 1.5709 1.0029 1.2114 0.8037 0.2407 5.2935 0.4988 5.1554 0.5415 0.2407 0.4500 2.1500 0.4809 0.2407 0.3802 0.2407 0.4942 0.6292 0.2407 0.6317 0.9702 0.2407 0.5253 2.4606 0.2407 2.1266 0.2407 0.2407 0.2407 0.6743 0.2407 0.2407 0.2407 2.4064 0.2407 0.6293 0.8224 0.2407 0.7771 0.2407 1.4907 1.4517 0.2407 0.6742 0.7778 0.2407 1.5019 1.3168 3-methoxytyrosine 1.0276 2.2516 1.2850 0.8583 1.0743 0.9960 0.6698 0.6713 0.7945 2.0236 1.2889 1.3749 0.9564 0.7859 0.7834 0.9589 1.4816 1.1748 0.8518 1.2538 1.1654 1.3506 0.8644 1.2581 0.8563 0.9655 1.1063 0.6347 1.2174 1.2239 0.7546 1.4684 0.6844 1.7906 1.2213 0.8956 1.3071 1.4331 1.0009 0.7353 0.9642 0.5935 0.9047 0.9383 0.7995 0.8091 0.5755 1.7852 1.0331 1.2277 0.8931 0.5846 1.5556 0.9393 0.7682 1.1912 0.9934 0.8357 1.4058 1.7648 0.9388 0.7180 0.9445 0.6928 0.8346 1.4385 1.0099 0.8632 1.3970 0.7767 1.0181 1.1891 1.5751 0.7877 0.4015 1.1313 0.6835 2.4050 0.8213 0.9953 1.0869 0.8419 0.9454 1.2532 0.7158 0.9693 1.0203 0.6658 0.6331 1.1765 1.2353 0.9991 0.8550 0.8272 1.1294 1.2419 1.0886 1.2146 1.0511 1.6661 1.5637 1.0222 1.3593 0.9933 1.7236 1.2839 3-methyl catechol sulfate (1) 0.9086 3.9863 4.4938 0.1195 0.1916 0.1742 2.4833 0.4042 0.9171 1.0890 2.8928 1.6711 1.0594 4.2021 5.4923 0.9477 1.9894 0.7671 0.8872 1.5228 0.2971 0.3253 2.3442 2.0176 2.1445 1.3598 2.1308 1.9756 0.9100 0.7576 1.0393 2.5573 2.5696 3.0079 1.7781 2.2707 0.4968 5.1268 1.7291 1.3591 0.2915 1.0961 2.3045 1.1413 0.9982 6.6198 0.9074 0.8349 1.0018 1.1293 1.4865 0.0394 2.9492 1.0765 0.4497 1.8115 0.3103 2.3887 3.6394 1.9194 2.5668 2.6522 0.1079 0.3534 0.8980 2.1000 1.9907 0.4372 1.2845 0.5072 0.2577 0.9092 2.1760 0.2646 0.3353 0.3016 0.9620 2.5206 0.7377 0.2869 0.6282 0.5118 0.6008 0.4129 0.5747 0.5223 0.0450 0.6520 0.4879 2.1380 1.0224 1.0944 0.1479 1.1944 0.0895 0.6267 0.4746 0.2953 0.6484 0.1452 0.6010 0.2970 1.1895 0.3559 1.4252 3.1277 3-methyl catechol sulfate (2) 0.8518 1.8626 4.2900 0.1256 0.1256 0.1256 0.8929 0.1256 0.4564 1.8001 2.3510 1.3304 1.2762 3.8117 5.9935 0.6720 1.9265 0.8314 0.5041 0.8391 0.1256 0.1256 2.0426 1.5570 1.7282 1.0293 1.8647 1.4464 0.5932 0.5720 0.3208 2.0806 1.6957 2.9506 1.2246 1.5589 0.1256 5.7867 1.2523 0.6388 0.1256 0.8159 2.1593 0.7270 0.9385 8.4965 0.7578 0.5277 0.3821 0.9788 1.3346 0.1256 2.0753 0.5446 0.1256 1.8394 0.1256 1.9851 4.1278 2.5302 2.0128 2.4056 0.1256 0.6281 0.3003 1.1029 1.0691 0.1256 1.5668 0.2389 0.1256 0.5365 0.9007 0.1256 0.1256 0.1256 0.3736 1.2222 0.4414 0.1256 0.2606 0.3942 0.1256 0.1256 0.1650 0.2283 0.1256 0.4565 0.5522 1.6339 0.3545 0.6269 0.1256 1.0000 0.1256 0.3183 0.2714 0.1256 1.0250 0.1256 0.1256 0.1256 0.2508 0.1256 0.6627 2.0672 3-methyl-2-oxobutyrate 0.8593 0.9124 0.7639 0.8515 1.2232 0.7610 0.8371 0.7005 0.8933 0.4421 0.8874 0.9611 1.3155 1.1136 1.0037 0.5948 0.6351 0.7619 1.0368 0.7939 0.7741 0.8554 1.1128 1.2278 1.2692 0.8339 0.8165 0.9358 0.6092 1.0428 0.7320 1.2259 0.9858 0.5662 1.1456 1.4440 0.9722 0.8326 0.8455 1.1201 0.6522 1.1288 1.0463 1.1315 0.9560 1.2730 1.2349 0.5763 0.9906 1.0312 0.9266 1.5635 0.5901 0.8785 1.3006 0.9136 0.7162 1.2075 1.2430 1.1205 0.9226 1.2783 1.3423 1.0034 0.9358 1.1857 1.2278 0.9250 0.9966 1.1773 1.4737 1.0486 0.9772 0.9811 1.3003 0.9663 1.3365 1.0325 1.1606 1.0216 1.0338 1.5232 0.9719 1.0943 1.1155 0.8877 1.8949 1.1771 0.9848 1.3181 1.7082 1.3885 1.1944 1.5239 1.3233 1.3494 1.0433 0.9647 0.8451 1.0220 1.1603 0.8405 0.8078 0.9413 0.9161 0.9240 3-methyl-2-oxovalerate 0.7604 0.8600 0.6994 0.8303 1.0962 0.8094 0.8494 0.7409 1.0275 0.5321 0.9265 0.8082 1.3950 0.8670 0.9916 0.5790 0.5422 0.6898 0.9752 0.7630 0.6954 0.9114 0.9697 1.0154 1.1663 0.7532 0.7877 0.9314 0.5588 0.9822 0.6814 1.1451 0.6159 0.6486 1.2483 1.3247 0.8560 0.6454 0.7920 1.1259 0.5953 1.0033 1.0746 1.0944 1.1582 1.4526 0.8545 0.5056 0.9868 0.8848 1.0101 2.0589 0.4982 0.8037 0.9964 0.9151 0.7005 1.3568 1.2637 1.4361 0.9375 1.4152 1.2685 1.1423 0.7904 1.1756 1.0808 1.0706 0.8548 1.2042 1.6619 1.0882 1.0327 1.0410 1.3652 1.1043 1.3095 1.2024 1.2159 0.8015 1.0222 1.2500 1.0538 1.0346 1.2419 0.8101 1.8426 1.2644 1.0008 1.5963 1.7700 1.6121 1.2747 1.2779 1.5589 0.9992 1.2334 1.0930 0.7565 1.1664 1.1325 0.7461 0.9385 0.7398 0.8109 0.8595 3-methyladipate 0.9930 3.0829 0.6579 1.1222 0.5561 0.8054 0.3063 0.3063 0.9908 0.6878 2.3728 0.3063 1.0679 0.6211 0.7131 0.8236 1.1659 0.7397 0.5912 3.0609 0.3063 1.0607 0.5404 0.7570 1.5065 3.5407 0.7811 4.3713 2.2105 0.5767 3.8567 1.4525 1.6701 1.0124 1.3672 0.5337 1.0070 1.6951 1.9464 0.9728 0.9526 0.9167 1.6232 1.1364 0.6526 1.1975 0.3957 1.1697 1.1034 1.5475 0.9553 0.3063 1.8351 0.8773 0.4954 1.3311 0.3063 1.8421 0.8279 1.1800 1.7255 0.6987 1.4571 0.6148 0.7599 2.0488 0.8768 0.7377 0.8113 0.9803 0.3063 1.8294 1.4779 1.5431 0.9360 1.4538 0.4506 2.6763 2.8940 0.4719 0.3063 0.7861 1.1233 0.7536 0.7074 1.2335 1.0331 0.8617 1.4709 0.8159 1.6716 1.0314 0.7117 0.9825 0.5494 0.3208 0.3737 1.7688 0.7056 0.3063 1.0763 1.4932 2.5318 0.9340 3.3088 0.6056 3-methylcytidine 0.7509 0.4638 0.7250 1.5056 1.2736 0.8296 0.9903 0.8381 1.2779 1.1437 0.8200 0.6984 0.4638 0.9215 0.6449 0.7871 0.4638 0.4638 1.1731 0.6630 2.1154 1.5757 1.1045 0.5548 0.4638 0.8897 0.6310 0.7551 1.0933 0.4638 0.4638 1.7502 1.2755 0.4638 0.9974 1.1720 0.7049 1.3218 1.3790 0.8329 0.5284 0.9421 0.6583 1.0372 1.2057 0.9608 2.3430 0.6615 0.7645 1.0155 1.2809 0.4638 0.4638 0.4638 1.3786 1.1418 0.4638 0.9950 0.4638 1.0026 1.4187 0.5694 0.4638 1.0494 1.1696 1.2841 1.0867 0.4638 0.8388 1.5835 0.9168 0.7559 0.4727 0.4638 1.4400 1.6661 0.6843 0.8390 0.4638 0.4638 0.9234 0.9802 0.8768 0.4638 1.0331 0.4638 1.0567 1.5330 1.1081 0.7902 1.3370 1.3814 1.0902 0.5232 0.6156 1.1665 0.4638 0.8740 1.1573 1.1655 1.6665 1.2334 0.8588 0.8106 0.7681 1.3011 3-methylglutaconate 0.7502 4.2544 0.9542 1.0671 0.4894 0.4341 0.6679 1.0564 0.5499 1.0848 1.5521 0.5133 1.3793 1.7807 0.8002 1.6805 0.6238 0.9695 1.4792 0.6900 1.1230 0.9409 0.9432 1.0648 1.0476 0.9038 0.4255 1.1289 6.7886 0.9848 1.6850 1.1666 1.1677 1.3234 1.0261 1.1158 0.6204 1.1054 1.2269 0.6110 0.5838 0.8612 1.5419 0.4340 1.3074 1.1663 0.8053 0.6976 1.1594 1.1019 0.8134 1.4847 0.9152 1.7626 1.5019 0.5997 0.9962 1.6908 1.3435 3.6325 0.6369 1.0182 1.1312 0.9615 2.2883 0.8271 2.6429 4.1372 1.2929 1.5779 2.1563 0.8504 1.9151 0.9590 0.6525 1.0038 0.5537 2.2444 2.2633 0.9504 1.9245 0.7906 1.0834 1.1458 0.3985 1.1112 0.9337 0.8758 0.7712 2.3433 1.1533 0.7811 0.8751 0.6283 0.6799 0.5673 0.3611 0.5694 0.5099 0.3799 1.1922 0.9553 0.4303 0.7626 1.1014 0.6893 3-methylglutarylcarnitine (2) 0.3897 9.2069 1.1894 0.9345 0.3010 0.5541 0.3945 1.1327 0.7007 0.7260 0.9569 0.7033 1.0139 1.7193 0.5141 1.1447 1.1949 1.3325 3.3688 1.2883 0.9861 0.9177 0.9094 0.4576 0.5229 0.8551 0.3752 1.7939 5.3668 0.6018 1.0297 0.8314 1.1257 3.1660 1.5806 0.3237 0.4736 2.1947 1.0394 0.3714 0.8937 0.8236 2.4393 0.4283 0.3010 0.5786 0.3010 0.8136 2.3481 2.4765 0.9480 0.3010 0.8480 1.0446 0.5935 1.2272 1.0262 1.2340 0.9833 1.7973 0.4246 2.4697 1.0790 0.5956 2.3050 1.2892 3.5207 8.3000 2.9610 1.6345 1.7143 1.1722 2.0637 0.3616 0.5622 0.8645 0.3010 1.8862 2.9218 1.0799 2.2673 0.8508 1.1767 1.2652 0.3514 1.2098 1.1703 0.4310 1.6022 1.9771 0.6236 0.6960 0.8255 0.9738 0.4156 0.5875 0.4108 0.4309 0.6242 0.3141 1.1918 0.7788 0.8544 1.0791 1.8941 1.1357 3-methylhistidine 0.9998 3.5194 0.7229 1.9348 0.1194 0.2598 1.3458 0.2570 2.5409 0.6679 0.4115 0.2778 5.3130 0.1083 1.1479 0.5499 2.0315 0.2209 4.4968 5.2518 0.1648 0.3852 11.1452 1.9473 1.5714 1.6114 1.6042 5.3790 0.6382 0.5423 8.6838 3.4593 2.2816 4.0465 0.4917 0.2478 3.0486 2.7318 0.7826 6.1144 0.8775 2.2745 1.1376 0.2042 0.4662 0.4951 0.5092 2.5353 1.0002 3.1936 1.0928 0.2824 2.5258 0.4346 0.6555 0.4704 0.3101 1.3971 0.2814 1.1862 3.3281 2.5311 0.3517 0.3116 5.8887 12.2025 2.1275 2.6679 2.5878 3.0881 2.2427 0.6112 0.6383 6.2550 0.2345 0.5530 0.4755 0.9846 3.0131 0.5520 0.1428 0.5438 5.3213 1.0206 0.6148 0.6540 0.6590 0.1605 2.1082 3.7450 4.6817 1.3792 6.7960 0.2777 0.3455 0.2820 0.4190 0.2681 1.3773 0.9529 2.2707 0.5740 1.7187 2.1619 0.7381 0.3777 3-methylxanthine 0.6337 2.5117 0.8423 0.1320 0.2808 1.7195 0.5387 0.2091 0.3193 2.5902 1.5772 0.4881 0.6965 2.0603 0.9824 4.2924 2.2566 0.6957 0.6380 1.0396 0.2806 1.1170 0.9183 2.2445 1.0012 1.2127 0.7873 1.1009 1.1077 2.0095 0.6953 0.4184 0.8635 2.5672 1.1567 1.2743 0.9908 1.2862 1.3090 0.3436 0.1320 0.4743 0.5564 1.1285 2.7370 2.0607 2.0669 1.2427 0.7223 0.5167 0.9775 0.3304 1.0763 1.6127 0.7775 0.1749 2.4932 0.9988 3.9830 0.2082 2.0538 1.9403 0.7330 0.5663 5.4297 2.1779 1.8686 6.7337 0.6436 1.0754 1.4847 2.0867 1.4007 0.4949 0.6252 0.6711 0.3863 3.4426 0.1320 2.9014 0.9140 0.5410 0.7472 1.6285 0.6457 0.5172 0.1979 0.6569 0.3930 0.8310 3.0535 0.5764 0.5075 1.5551 0.9556 0.4908 2.9157 0.9813 3.6094 1.2357 1.1982 1.2353 1.2190 1.9436 0.8879 1.1882 3-phenylpropionate (hydrocinnamate) 0.6185 0.9551 1.8003 1.7154 0.4198 0.4058 1.7228 0.6062 2.3791 0.8470 2.1597 0.6830 2.3496 1.1270 0.5773 0.9894 0.0466 2.9869 0.8743 2.2127 0.7376 1.5012 1.0048 8.2837 0.1883 0.6225 1.2945 1.9088 0.3530 0.7216 3.6287 0.5793 1.3773 1.7760 1.1168 2.7506 0.8293 0.8199 0.9862 1.1086 1.9984 2.7227 0.8574 0.4812 0.0310 1.0625 0.6688 0.0759 0.1209 1.0522 0.9297 0.0610 3.3281 3.7052 1.4880 2.4546 1.6671 1.0921 0.8121 3.0621 2.8800 0.8153 0.9592 0.6074 0.8913 1.5317 2.8042 0.0310 0.7081 1.1323 0.0753 0.1362 0.0697 1.4602 1.5015 0.9952 0.2640 1.0909 0.7159 0.0658 1.9879 0.4401 0.8024 0.5505 2.1693 3.8758 0.5051 0.0310 0.0774 0.0954 0.7728 2.2046 0.0723 0.7163 1.1638 1.2260 1.7428 0.9379 2.6938 3.0355 1.7701 1.2628 4.6955 0.9196 2.5926 2.9135 3-phosphoglycerate 1.0150 0.4675 0.2592 1.0049 0.8078 0.4523 1.1863 0.9951 0.8164 1.1359 0.4190 1.7094 1.3411 4.0188 0.8369 2.6162 0.8174 0.6067 1.3484 1.0412 1.5647 1.5123 0.8881 1.3391 0.9427 1.3181 0.6600 0.6021 1.0638 0.8223 0.4832 1.3402 0.9843 1.3284 1.0863 1.9223 0.8623 1.9964 0.7294 0.5535 0.6119 1.1079 1.2145 0.5357 1.6702 0.6266 0.7561 0.2576 1.4477 0.5981 0.5572 0.9862 0.5216 1.5779 1.0178 0.4547 1.2354 0.7808 1.0511 0.6406 0.8577 0.5979 0.8629 0.8854 0.8719 0.6017 0.7589 2.8321 1.1786 0.3416 0.9430 0.9036 1.7198 0.7134 1.3119 1.6877 0.3289 0.4886 1.1920 1.4850 1.0352 1.3629 0.7721 1.0362 1.0324 0.5053 2.0857 1.4858 2.5808 1.2686 1.2489 0.8510 1.5951 1.0947 0.9360 0.5392 0.6669 1.2027 1.0445 0.5151 1.2273 1.0641 1.4114 1.8824 1.2529 0.9447 3-ureidopropionate 1.3214 1.3721 1.0391 0.8652 2.8800 1.3692 0.6006 1.0126 0.8635 1.1652 1.2081 0.7456 1.3957 1.0921 0.5905 0.5536 1.3103 1.7961 1.0609 1.0851 1.0609 0.8271 0.9860 0.5594 1.0828 1.0468 0.6282 0.9643 0.5091 0.6504 0.9535 1.1505 1.0279 1.7592 1.5045 1.0020 0.6191 0.6293 1.9672 1.7004 0.8779 1.5043 1.2965 1.0658 1.4390 1.4511 1.0964 2.1536 0.5455 0.9541 0.9562 4.7844 0.4852 0.7159 0.9522 0.7890 0.9849 2.1266 2.4375 0.9980 0.8007 1.1972 1.6313 0.9356 0.9137 1.0241 1.3243 0.5478 0.6727 1.1860 1.2717 0.7144 1.1625 0.7796 1.2090 1.0980 2.3328 1.0351 1.2407 0.7079 0.6034 0.9442 0.8121 0.8633 0.7595 0.8014 0.8141 0.9135 0.5252 0.9179 2.1111 1.6956 1.2115 1.1895 0.6190 0.7060 0.9620 0.6546 0.8505 1.1853 0.7051 0.9322 1.2274 0.9222 2.0105 0.7971 3b-hydroxy-5-cholenoic acid 0.4783 1.0000 1.4339 0.4783 0.8552 0.4783 0.8062 1.2030 0.4783 0.4783 0.4783 0.7793 1.1762 0.6455 1.2348 0.4783 0.4783 1.9283 0.8220 0.4783 0.4783 0.4783 0.4783 0.8709 0.4783 0.7252 0.4783 0.4783 2.1255 1.0527 0.4783 0.4783 0.4783 0.4783 0.5729 0.4783 0.4783 0.4783 0.9201 0.4783 0.5559 0.4783 0.8374 2.1785 0.6834 0.4783 0.4783 0.4783 0.8862 0.4783 0.4783 0.4783 0.4783 0.7078 0.4783 1.2188 1.1527 2.7349 1.2351 2.0664 0.4783 0.4783 0.4783 0.8026 2.8974 1.1754 0.4783 0.4783 0.4783 0.4783 1.4691 1.4668 0.4783 0.4783 0.7313 2.2933 0.4783 1.2647 0.4783 1.0283 0.4783 1.1769 1.0122 0.4783 0.4783 0.4783 0.9347 0.4783 0.4783 0.8680 1.1273 0.4783 0.4783 0.4783 0.8516 0.4783 1.4082 0.8481 0.6166 0.7622 1.7477 0.9786 0.5387 0.4783 1.1207 0.8873 3beta-hydroxy-5-cholestenoate 1.2451 1.3531 1.2631 0.8978 1.5624 0.8038 0.9486 0.9158 0.9087 0.5636 1.0889 1.1786 0.4400 1.1774 1.3142 0.4076 0.5800 0.9746 0.7747 1.6285 0.9905 0.6972 1.0738 1.0596 0.4889 0.6063 0.6109 1.0145 1.2644 0.9788 1.1654 0.8291 0.5131 0.7419 0.8883 0.7126 1.3681 1.4731 0.7998 1.0709 1.3149 0.7542 0.9287 1.5778 1.2461 0.6798 0.6388 0.6772 1.1741 1.1229 1.2943 1.2520 1.0661 1.4314 0.4509 0.9935 0.5870 0.6070 1.0375 0.6269 1.0065 0.7613 1.3289 1.0886 0.7651 1.0994 0.8733 0.6594 0.9040 1.0321 2.2108 2.5884 0.9453 0.4278 1.0168 1.0887 0.7657 1.3755 0.8180 1.1697 1.0946 1.4199 1.0214 0.8823 0.6629 0.8565 1.1991 0.8846 2.8727 1.0514 0.9272 0.5581 0.7914 0.6874 0.9267 1.1196 1.5200 1.2021 0.9314 1.7204 3.3389 2.0675 1.6531 0.8873 1.4148 1.8208 4-acetamidobutanoate 1.1542 1.6527 0.9988 0.9655 0.6880 0.5372 0.7737 0.9470 1.4307 1.4869 1.1252 1.0453 2.0088 1.2229 1.1136 1.5175 1.5856 1.3682 1.0878 1.0359 0.8129 0.9701 1.2579 0.8839 0.8449 1.1676 2.1543 0.7526 2.1457 0.9314 1.7147 1.3766 0.8345 2.5527 0.9394 0.6874 1.7133 1.5851 1.1417 0.7774 0.4984 1.6038 0.5628 0.7573 2.3106 0.9237 0.8131 1.3300 0.5950 1.4700 0.7479 2.0071 1.0678 0.6396 0.9112 0.9457 1.0910 1.6683 1.2198 0.9591 0.7667 0.6081 0.5802 0.7982 1.5444 1.9439 0.5162 1.2822 1.7047 1.5776 0.9231 0.9877 1.4189 0.7788 1.0012 0.8076 0.7531 1.7349 1.2392 0.9331 0.6849 1.2465 0.8815 2.0794 1.0098 0.4090 0.6347 0.4979 0.7616 2.3665 1.3211 1.0678 0.7482 0.6853 0.4422 0.6083 1.0095 1.1377 0.8261 0.6866 1.3184 0.6890 1.0051 0.6478 1.8103 0.9921 4-acetamidophenol 0.2273 1.8513 0.3618 1.1076 0.2091 89.8715 4.1499 220.5754 0.4818 0.0216 0.3321 0.0216 0.0216 0.3619 34.5030 0.2027 235.5322 279.4006 0.3318 0.0216 1.4888 0.0216 0.1989 0.0216 64.5400 39.5478 0.0496 0.3327 604.5660 609.8962 229.1082 0.4272 0.0216 0.8158 72.2110 0.0216 425.6937 0.2441 0.5259 0.3365 3.3446 0.3834 0.4417 0.9602 166.6453 59.6932 0.0216 0.2260 0.3500 0.1056 0.0216 392.4669 60.0746 0.5387 5.8976 0.2711 0.0216 0.0216 125.5067 0.0216 0.4091 46.1715 0.0216 0.0216 0.1443 94.1770 0.1601 617.7885 0.5322 10.0491 51.6449 536.1655 0.0216 228.4418 0.2252 85.9668 0.2447 0.1144 12.9520 116.0226 89.2057 12.5541 14.2404 0.1360 0.0216 0.1240 0.0216 0.1721 72.4553 110.9164 0.0216 0.2330 1.1081 0.4490 0.0216 0.8560 72.0818 0.1062 0.0216 0.1621 0.3412 1.0398 6.4311 121.5828 0.3740 0.2405 4-acetamidophenylglucuronide 0.0006 0.0175 0.0015 0.0006 0.0006 1.0000 0.0259 2.6690 0.0036 0.0006 0.0006 0.0006 0.0006 0.0006 0.4068 0.0006 2.8127 2.6115 0.0006 0.0006 0.0072 0.0006 0.0006 0.0006 0.6463 1.2025 0.0006 0.0006 14.4312 3.0215 1.4160 0.0006 0.0006 0.0051 1.0493 0.0006 3.1396 0.0006 0.0006 0.0006 0.0117 0.0006 0.0006 0.0047 3.4561 1.1321 0.0006 0.0006 0.0006 0.0006 0.0006 3.5958 0.4632 0.0006 0.0729 0.0006 0.0006 0.0006 1.1094 0.0006 0.0006 0.6427 0.0006 0.0006 0.0006 1.2650 0.0006 4.9485 0.0006 0.0426 1.0177 9.2310 0.0006 1.9173 0.0006 1.9773 0.0006 0.0006 0.2477 1.1622 1.2779 0.2215 0.1660 0.0006 0.0006 0.0006 0.0006 0.0006 1.3804 2.3178 0.0006 0.0006 0.0043 0.0006 0.0006 0.0054 0.8184 0.0006 0.0006 0.0006 0.0006 0.0037 0.0364 1.3215 0.0020 0.0006 4-acetaminophen sulfate 0.0126 0.2384 0.0410 0.0052 0.0117 11.9076 0.5079 22.0631 0.0511 0.0075 0.0245 0.0052 0.0052 0.0052 7.5964 0.0052 30.5367 39.7177 0.0107 0.0052 0.1131 0.0052 0.0052 0.0064 8.3114 8.5052 0.0052 0.0082 73.7247 37.2379 21.6244 0.0052 0.0052 0.2006 11.2344 0.0052 33.2857 0.0132 0.0149 0.0052 0.3054 0.0052 0.0097 0.0946 27.6549 11.9986 0.0052 0.0052 0.0052 0.0107 0.0052 31.0432 6.7048 0.0064 0.8384 0.0052 0.0052 0.0052 13.9664 0.0052 0.0191 5.5421 0.0052 0.0052 0.0052 21.3847 0.0052 69.2928 0.0052 0.9068 14.5322 73.3378 0.0052 16.6821 0.0052 15.7729 0.0233 0.0126 1.7949 5.7424 12.7267 1.9971 2.8248 0.0071 0.0052 0.0052 0.0052 0.0052 10.1933 32.6574 0.0128 0.0052 0.0604 0.0052 0.0052 0.1305 12.5650 0.0052 0.0052 0.0091 0.0053 0.0739 1.0932 11.8651 0.0232 0.0052 4-acetylcatechol sulfate (1) 1.0566 0.5985 3.0577 0.9450 0.1647 0.3084 1.0328 0.1938 0.9562 5.9310 2.4380 0.8483 2.3428 1.6768 3.8997 1.1589 3.1139 3.8407 1.2306 2.1604 0.3579 0.5480 2.5399 1.9002 1.0000 1.2627 2.3879 1.6554 0.2760 0.7589 0.6391 0.6826 1.6742 4.2103 1.2090 1.6156 0.6138 2.3418 3.1090 0.5752 0.2836 0.4317 1.8994 0.2233 0.4459 7.4736 1.4879 0.9310 0.5070 1.3266 2.1214 0.1647 1.4164 1.1425 0.6271 1.8254 0.3873 3.8821 3.0762 0.2191 4.1145 2.1497 0.1647 0.1647 1.0274 1.5930 2.0240 0.3555 0.6905 0.7763 1.2611 1.7281 0.4986 0.3666 0.9522 0.1647 0.1719 0.9794 0.3545 0.2471 0.9140 0.2589 0.1647 0.3851 0.2908 1.2890 0.1647 0.1647 0.1647 1.6578 0.6006 0.8421 0.1647 0.3839 0.3576 0.2506 0.3297 0.2570 1.3561 1.5549 0.4971 0.2550 1.0693 0.2884 1.6038 2.3009 4-acetylphenol sulfate 0.6563 0.9415 1.9246 1.5139 0.3425 0.3425 0.3425 0.5773 0.4750 2.1907 1.0000 0.6400 1.2916 2.1721 1.0216 0.3425 0.8681 1.2900 0.3425 1.2705 0.3425 1.2691 1.0906 1.1400 0.3425 0.3425 2.6087 0.3425 0.3425 0.3425 0.5082 0.4979 1.2905 5.4048 0.3728 2.6087 0.6590 1.8858 1.5762 0.3425 0.3425 1.6332 0.9629 0.3425 0.3425 2.4931 0.6527 0.3425 0.3425 1.3157 0.4741 0.3425 0.9812 0.8684 1.2656 1.3036 0.6055 2.1294 1.4356 0.7201 1.6351 0.5288 0.3425 0.3425 0.7793 1.0491 1.0857 0.3425 0.5341 0.9744 1.2061 3.1235 0.3425 0.3425 0.3425 0.3425 0.3425 0.5574 0.3425 0.3425 0.3425 0.3425 0.3425 0.8947 0.3425 0.3425 0.3425 0.3425 0.4864 4.3438 0.8348 1.5042 0.3425 0.7376 0.3425 0.8764 0.3425 0.7697 0.6363 2.4026 0.3425 0.3425 1.4569 0.7758 0.9077 0.7057 4-allylcatechol sulfate 0.7320 1.7012 0.1266 2.6513 0.5893 0.1072 2.9879 0.5176 0.9367 0.9778 1.0594 0.6780 2.9012 5.6783 0.2571 0.1070 0.4210 1.2257 1.1088 3.2410 3.4398 0.8078 0.8348 0.8876 1.7707 1.2108 3.9087 1.3632 0.2311 0.1825 0.6058 2.4620 3.9313 6.1678 0.3310 0.9238 2.9213 0.3293 1.6534 0.5178 0.4161 0.3064 5.3284 0.1070 1.0222 1.5299 3.9438 0.4646 1.3470 0.5940 0.8531 0.3364 1.2007 1.4273 0.3744 0.2863 0.2633 1.1313 4.0048 0.4668 0.7947 4.0789 0.1070 0.3664 3.6589 4.1022 4.6667 0.1290 0.4340 5.1805 1.0315 12.5734 0.7981 0.1070 0.3401 0.1866 1.5950 3.3791 1.1406 0.1070 1.2997 0.9761 1.1597 4.7771 0.7705 1.7426 4.3060 0.1546 0.1935 2.3712 0.8509 3.1112 1.0506 0.1070 0.5814 1.4113 0.4935 1.3873 0.6845 11.5281 0.3220 0.1070 1.3519 0.2882 0.6963 0.5864 4-allylphenol sulfate 0.7342 1.0893 1.0000 12.6445 1.0638 0.2613 1.0817 0.2635 0.3896 0.2361 1.1379 0.8840 1.1416 2.0065 0.2781 0.2211 0.1892 1.5905 0.6135 2.8886 1.0151 0.7679 1.1252 2.9491 2.7552 0.5414 1.7232 4.6202 0.1758 0.1775 0.7019 1.0953 1.1924 2.3048 1.0791 4.5027 2.7353 0.0855 1.6274 0.3416 0.0967 0.9425 2.5204 0.5765 0.9872 0.6749 1.0634 0.3031 0.6584 0.7755 1.1437 0.0855 1.1529 0.9414 1.0076 0.3007 1.1583 0.4286 0.9906 1.0367 0.3826 1.1873 0.5899 0.2861 0.4948 4.9073 5.1961 0.9427 0.4536 1.7456 0.1308 2.3364 0.5859 0.0855 0.8091 0.1309 0.5306 2.4964 0.7520 0.0855 1.9955 1.9489 0.9164 1.3221 1.2971 0.9445 5.4482 0.4614 0.4646 5.0216 1.0035 1.4350 0.8247 0.4686 0.3259 2.5806 1.3502 1.5508 1.1228 3.0440 0.3126 0.1404 1.4700 0.4885 5.3724 1.0344 4-cholesten-3-one 1.3176 0.7330 1.1635 0.9472 1.2324 0.7669 1.2819 1.3447 0.6537 1.2838 0.5422 1.0596 1.3064 0.4003 2.6180 0.6308 0.7846 1.4462 0.9357 1.3665 0.4003 0.7287 1.5975 0.9751 3.2467 1.3022 1.1773 0.6717 1.6330 1.0714 1.1771 1.3175 0.4003 0.6342 0.8095 0.5504 1.7867 0.6517 0.8115 1.1886 1.0137 0.9998 0.5337 0.7653 0.8748 0.8827 0.8623 1.2588 0.4003 1.0880 1.0002 0.4362 0.4722 0.4003 1.1893 0.8843 0.4646 1.1032 0.4003 1.0701 0.6207 0.4371 0.7678 0.4003 1.1412 0.7924 1.0474 0.9071 1.2698 1.0360 0.5929 1.7722 1.5185 0.5985 1.7053 1.0317 1.6146 1.1446 0.9897 0.6763 0.4003 1.1968 1.0760 0.9747 0.4674 1.1782 0.4003 0.8651 0.6958 1.4137 0.5499 0.6295 0.4413 1.2383 0.6043 0.7547 1.1469 1.8442 0.5543 0.4003 0.5246 1.3471 1.0160 0.4003 0.8114 1.5039 4-ethylcatechol sulfate 1.4029 0.8454 3.9625 0.6177 0.1371 0.1626 1.5187 0.2886 0.9648 3.0669 4.2866 1.4727 2.5889 2.0035 4.2574 1.6509 1.4181 1.9098 1.1231 2.4405 0.6189 0.8148 8.9476 2.2268 1.0938 1.4683 1.6383 2.5382 0.5895 1.0914 6.2776 1.0335 2.2767 1.8156 1.5537 3.9325 1.8025 4.6674 4.5360 1.0770 0.4931 0.4973 2.8299 0.4529 0.4808 3.9817 1.0040 0.4818 0.8950 1.7392 1.5264 0.1961 1.8332 2.5706 0.5164 1.5663 1.8945 2.9898 2.7259 0.4767 2.9399 3.0456 0.7399 0.3338 0.8372 0.9769 1.1400 0.1690 0.7266 0.1631 0.1670 0.8134 1.0000 0.5061 0.3333 0.5057 0.2183 0.8341 0.3043 0.1771 0.6058 0.4900 1.0460 0.5844 0.2047 1.0160 0.1595 0.4104 0.4947 6.4628 0.9846 1.0362 0.1371 0.9704 0.1693 0.6068 0.1680 0.4068 0.8654 1.6208 0.8818 0.4403 1.0760 0.1788 0.8781 2.6409 4-ethylphenylsulfate 0.6835 2.5374 2.5110 0.9560 0.3426 0.6558 1.3352 0.8498 1.0578 0.4062 1.1545 1.1973 1.2755 7.1426 0.7326 0.4908 0.6851 1.7485 0.8326 0.7633 0.8879 0.9460 1.2441 1.9186 1.3022 1.1003 1.1513 0.5980 0.5958 3.0618 1.6489 1.7994 0.5157 1.9134 0.6436 1.1281 1.3015 2.4217 0.7638 1.0623 0.7440 1.6254 1.3570 2.1416 0.3268 1.1801 1.2194 0.5511 1.0526 3.3841 0.8588 1.0661 1.8834 0.9677 1.4433 0.6055 0.4501 2.8468 1.1006 0.5187 0.5040 0.3387 0.6543 0.3983 1.0834 1.0962 1.2920 0.4643 1.3439 0.9526 0.3304 0.2858 0.9277 0.1208 0.1229 1.4396 1.9429 0.6479 0.9459 0.1974 1.0528 0.3616 2.6538 2.2571 0.3641 0.9879 1.5669 1.1975 0.8347 4.0797 3.2750 4.5446 0.1498 1.0121 0.4270 0.8855 0.2067 0.4302 0.8156 12.2834 0.3392 0.2492 3.3674 0.5663 1.0386 1.6000 4-guanidinobutanoate 1.8060 1.4217 1.0331 2.5543 3.0756 1.8762 1.1884 1.7561 1.4794 0.9162 2.8628 0.8407 2.2546 0.7452 0.5325 0.5252 0.4434 1.4543 1.0024 0.9440 1.0283 1.1597 0.9952 1.3177 0.3926 1.1429 2.5989 2.1622 0.6326 0.8332 1.6962 0.7569 2.3042 2.4945 1.4573 0.3850 1.4917 1.2098 3.0030 0.2873 0.8301 0.6558 1.1744 0.8709 4.1853 0.4808 1.1101 0.9683 0.5142 0.6817 1.7830 4.8804 1.4949 1.7018 1.3593 1.4115 0.1555 1.3916 0.8548 3.4322 2.6629 0.3916 0.1555 0.8463 0.7709 1.5928 0.3616 2.2597 0.3530 1.7939 0.7216 1.2918 0.3908 1.1387 0.4888 0.1555 0.8426 0.8529 0.4597 0.1555 0.3802 0.1555 0.4781 0.9976 0.3927 0.2757 0.3906 0.5245 0.1555 0.4612 0.3303 2.1107 0.1555 1.7309 1.2893 0.3226 3.0674 0.6606 1.2278 1.0932 0.8512 0.9395 0.8737 0.3572 1.5029 0.6821 4-hydroxy-2-oxoglutaric acid 1.6827 2.1967 1.1290 0.7177 0.8037 1.3036 0.6422 1.0977 0.7878 1.0174 1.3676 1.1500 1.3775 1.7116 1.6496 0.9993 0.6634 2.4672 1.0950 1.0875 1.0007 1.0659 0.9031 1.3750 1.6759 0.9622 0.8456 0.5925 0.8399 0.8637 1.8651 3.1241 1.3608 0.8788 0.4848 0.9507 1.4192 0.4980 1.3495 0.6107 0.5454 1.3797 1.3871 0.5451 0.8150 1.0511 1.3487 0.6255 0.8249 0.9245 0.6658 2.0699 0.3987 0.5241 2.1670 1.2518 0.4657 1.1795 1.2120 1.7658 0.8945 1.2743 0.5466 0.3986 1.1642 1.7051 2.2260 1.6451 0.7664 0.9671 1.1651 0.8762 1.9684 0.5091 0.7754 1.8344 0.7610 1.3915 0.7627 1.8382 0.6010 0.6671 1.8125 1.8913 0.7642 0.9768 0.7441 0.8133 0.5782 1.7957 1.0141 1.2082 0.7787 1.6260 0.8027 0.8266 0.7498 0.6889 1.1046 0.8147 0.5686 1.2347 1.6925 0.6405 1.2870 0.7590 4-hydroxychlorothalonil 1.8821 4.6054 0.6264 1.4669 1.4203 1.0849 1.4662 0.5404 1.2709 0.6266 0.8728 0.7546 0.6959 0.6341 0.3127 0.5884 0.3649 1.4317 0.8784 1.6259 0.7535 1.2696 0.5078 0.6597 0.4997 0.7846 0.8459 3.3210 0.6234 1.4860 1.0963 0.6987 0.8666 0.7952 0.6400 1.7675 0.9452 0.5333 1.6852 1.0047 0.3127 0.9488 0.9709 0.9362 0.8345 1.3065 0.9953 1.0667 0.7649 1.7393 1.7011 4.5999 1.2230 1.4673 0.8897 0.9402 0.7109 0.6087 2.3003 0.5321 2.3594 1.1970 1.9726 0.7066 1.8431 1.5379 1.5494 0.7095 0.7300 0.8153 1.3422 1.9274 1.2119 1.3835 2.4663 0.9276 0.5523 1.3591 0.6987 0.3127 0.8537 1.2124 2.2513 3.8282 1.0330 1.2127 1.8716 0.5560 0.8940 1.6847 1.0063 0.6704 0.5617 0.4615 1.0327 1.2517 0.4391 1.1230 1.6483 1.7149 1.0702 0.9509 3.8517 0.7728 0.9488 3.7528 4-hydroxycoumarin 1.8588 0.2082 2.1179 0.7659 0.1391 0.1391 11.5463 0.7930 0.9619 1.3025 5.9587 1.1352 0.4336 3.6831 0.4013 0.4827 0.4272 7.5190 1.2960 0.4311 0.2681 1.0381 1.9669 1.7745 2.1714 0.6919 10.7127 1.6345 0.4557 2.4919 0.7654 0.2379 0.5498 6.3882 0.9546 0.8437 0.2573 1.7229 1.9966 0.1490 2.6553 1.7177 0.3261 0.1391 0.1391 1.2020 0.1391 0.1881 0.1391 2.1580 1.3935 0.1391 1.2628 4.0615 0.6446 1.8116 1.7041 1.3846 0.6123 0.6767 0.7125 1.1791 0.2415 0.9250 0.5041 1.0562 0.9520 0.1561 0.3249 1.3848 3.5390 0.2252 2.5250 0.1391 0.5305 4.5057 0.2773 2.0589 0.6778 0.1391 0.3470 0.7038 1.7360 3.3719 0.6957 4.1401 0.5742 0.1391 0.1391 0.1391 0.9390 1.1039 0.1391 0.8658 0.8852 1.0588 1.2127 1.4528 3.1119 1.3612 0.9235 2.6128 0.9460 1.3537 0.5009 0.4394 4-hydroxyglutamate 0.8847 3.7890 0.9532 0.2322 0.8362 1.5348 0.3625 1.5268 0.3725 1.1820 0.4862 0.9098 1.9299 1.2922 0.1396 0.3132 0.9071 0.9272 2.4834 0.6644 0.7486 1.4307 0.8096 1.3311 2.3067 0.1396 0.4534 0.1396 1.3087 0.6894 0.3779 2.1763 1.9126 2.1204 0.5072 3.1485 0.7556 0.4276 1.0000 0.2836 0.2399 0.6637 0.8247 0.4976 2.4470 1.6809 1.7460 0.6252 0.6421 2.8284 0.6906 0.8503 1.0165 0.2679 3.8572 1.8982 2.7601 2.6198 2.0630 1.4809 2.3868 1.0739 0.5522 0.6230 1.2123 0.5225 2.1625 2.5548 1.4147 0.9156 2.6295 0.9559 1.0723 1.4733 0.8902 0.4568 1.1434 1.0016 1.2214 0.6929 0.6150 1.4875 1.1564 2.3658 0.9336 1.0529 1.1875 1.9085 0.6350 2.1248 0.1396 1.9650 0.7687 8.3602 1.3376 1.0717 0.3665 0.2857 0.3751 0.1396 0.3214 0.5740 0.1396 1.2260 0.4224 0.7947 4-hydroxyhippurate 0.8078 1.8025 1.2927 1.6027 0.2799 0.2587 1.1198 0.9287 0.8088 2.4564 0.9715 1.2414 1.4768 1.0849 1.0936 0.9584 2.1071 1.0988 1.4367 1.1803 0.5079 0.6948 1.1880 0.7248 0.3376 0.9149 2.8455 0.5919 1.3878 0.6844 0.9983 1.0920 0.7678 4.0591 1.6042 0.8096 2.0734 1.2710 1.1038 0.3075 0.3412 0.9540 0.5920 0.5272 1.0639 1.9070 0.5828 2.2193 1.3648 1.1320 2.5814 2.3264 1.1414 1.0017 1.1026 1.2375 1.5389 1.3257 0.6801 2.2327 0.9518 0.9693 0.5161 0.6569 1.0810 1.7935 0.7194 1.9969 1.6892 1.3305 5.6485 15.7127 2.0004 0.4613 0.4880 1.5485 0.5170 1.1929 0.9101 0.9613 0.7038 0.3202 1.8334 0.9693 1.1716 0.7330 0.2590 2.6375 4.2117 4.6842 0.8928 0.6996 0.4128 0.6531 0.6531 0.6784 0.7600 0.5039 0.7741 1.1659 0.7403 0.7323 0.8168 0.3892 2.0478 0.5942 4-hydroxyphenylacetate 0.7951 1.5980 1.4822 0.4409 0.5646 0.4295 0.8790 0.6056 0.8427 3.7993 0.6297 0.5386 2.1761 1.5222 2.9020 1.3198 0.9869 1.4011 1.8960 2.1125 0.2833 1.0439 1.0000 0.7845 0.5348 0.7025 3.6378 1.3896 4.1704 1.1473 2.6829 0.9460 2.9513 1.4121 1.5425 2.0231 1.0882 1.5430 0.9872 1.5284 0.2833 0.8575 1.3844 0.8654 3.5315 3.1101 2.2280 2.5372 0.5681 1.1987 1.0851 3.2195 1.5643 0.8438 0.4605 1.6908 0.9744 1.1404 1.5815 1.2394 0.5757 0.2833 1.1559 0.5089 1.4386 2.2356 0.5988 1.3856 0.8080 0.7485 0.5486 1.5992 2.7245 0.2833 0.9880 1.3934 0.7446 0.2833 6.3672 2.5698 0.9815 0.4942 0.5550 0.9315 0.8027 0.6688 0.8431 0.7410 0.4962 0.2833 1.3829 0.9131 0.3998 1.6379 0.2833 0.6033 1.3844 0.2833 0.6200 0.8037 0.4746 0.7502 0.6209 0.3776 1.0739 0.9665 4-hydroxyphenylacetylglutamine 0.8240 1.9585 1.0649 0.7080 0.3615 0.1732 0.7010 0.9979 0.7638 1.5719 1.3350 0.7502 2.1832 1.1564 1.8120 1.0467 0.9912 2.0281 2.3729 1.7382 0.4383 0.9287 1.2024 0.8287 0.4785 1.4072 3.3784 0.8298 4.5439 1.5276 0.7444 0.4282 2.5233 2.6944 1.2899 0.9213 0.8560 1.8030 1.0142 0.9068 0.3147 0.4890 1.6108 0.6590 3.4284 3.0309 1.1018 3.3269 0.4635 1.5175 0.9960 4.6124 1.5857 0.6769 0.9860 1.2455 0.6734 2.3538 1.1553 1.0531 0.6213 0.8044 0.6262 0.5735 1.6290 3.0158 0.4402 1.5086 1.1957 1.0757 1.1547 1.7052 2.5911 0.1732 1.2195 0.8147 0.8620 1.0559 4.7203 1.6395 0.9321 0.7401 0.8604 0.9987 0.7868 0.4844 0.5226 0.5314 1.2952 1.4828 2.0622 1.4155 0.3224 1.4922 0.9279 0.5461 1.0562 0.4861 1.0000 0.6748 0.5951 0.5873 0.3643 0.4274 1.1709 0.9523 4-hydroxyphenylpyruvate 0.9154 0.9769 0.8653 0.7588 0.4108 0.7659 0.7513 0.6648 1.2241 1.3753 1.1110 1.0222 1.4367 1.0363 0.9632 0.6021 1.2265 1.6179 1.4045 0.8640 0.8812 1.1111 1.6026 1.1342 1.1150 0.8022 1.2748 0.9898 0.6032 1.5729 1.0779 1.5122 1.2470 1.3991 1.1346 1.0098 1.4874 1.1780 1.2199 1.3136 0.5827 0.7517 1.5698 0.6830 0.5603 1.6323 1.2146 0.9166 0.7114 1.1206 0.7312 2.4383 0.6947 0.9875 1.4676 1.3666 0.5102 1.4812 1.7368 1.1223 1.1128 1.0093 0.7761 0.6668 0.9796 0.9973 1.1592 0.9352 1.0611 0.7218 0.8319 1.0046 1.3560 0.6397 0.7886 0.9146 0.3908 1.0867 0.8551 0.7523 1.0702 0.9440 1.0027 1.3530 0.9113 0.5943 1.0261 0.6270 0.8984 1.2936 0.7605 1.0146 1.0038 0.7913 1.0766 1.3335 0.8321 0.7262 0.8448 1.0758 0.6850 0.5480 0.6748 0.6541 0.8827 1.0559 4-imidazoleacetate 1.3060 0.2283 1.0767 2.1051 1.0919 0.3797 1.1670 1.5633 0.7387 3.9202 0.2283 0.2283 2.1247 0.2283 1.7716 0.2283 0.5934 1.0492 1.2573 0.2283 0.7525 0.5740 0.9566 1.3619 0.2283 0.6589 1.5649 1.0791 0.8871 1.5120 0.6039 0.2283 0.5290 0.2283 0.5898 1.3714 0.9954 1.0968 1.4391 0.2283 1.0399 0.9535 0.2283 0.2283 1.6003 1.9479 0.2283 2.5210 0.2283 0.2283 0.9636 1.4979 0.2283 0.2283 0.2283 1.5961 0.2283 0.2283 1.0046 1.9237 0.2283 0.2283 0.8448 0.2283 0.2283 1.0143 0.2283 0.5144 0.5932 1.5519 0.2283 0.2283 0.9327 0.9072 0.2283 0.2283 0.2283 0.6069 1.4693 1.6168 0.2283 0.8654 0.7065 0.7889 2.8498 0.2283 0.2283 0.5697 0.2283 0.3731 0.8186 0.8441 0.2283 1.1395 0.2283 0.2283 1.2465 0.6116 1.8391 0.5804 0.2283 0.7285 0.4304 0.4584 0.2283 0.5539 4-methoxyphenol sulfate 1.5288 2.0748 1.3392 3.9423 0.1441 0.4462 1.2625 1.5868 1.5835 1.9188 3.3409 1.3524 3.0168 1.4608 0.7638 0.4492 0.4421 3.9631 1.0538 1.7111 0.9236 2.0164 1.3432 1.7642 1.6180 1.0993 3.3353 1.4769 0.5214 0.4835 1.7531 0.2334 0.6285 3.7182 1.5991 1.0282 0.3324 2.1209 1.3520 0.1255 0.8594 1.2779 1.0911 0.1890 0.1629 0.8677 1.5720 0.7658 0.5186 0.6799 1.4695 1.1085 2.8219 1.2614 2.0393 0.9536 0.8526 1.2871 0.7839 0.4817 0.6490 0.3148 0.2678 1.1735 0.3811 8.8356 0.8174 0.7635 0.9826 1.6895 0.6821 0.8981 0.3348 0.5003 0.6757 2.4367 0.4533 1.3665 0.9897 0.2840 0.8633 0.4972 0.7712 3.1984 0.3267 0.6054 0.5203 0.7299 0.1623 1.1340 1.0683 2.1042 0.1797 0.6039 0.7740 0.9016 0.2990 1.0358 1.7290 1.9699 0.7394 0.9326 2.1421 1.0103 2.5017 1.3767 4-methyl-2-oxopentanoate 0.8288 0.9839 0.6964 0.8288 1.0784 0.7659 0.9028 0.7032 1.0277 0.4249 0.8032 0.7775 1.3409 0.8154 1.0047 0.5656 0.5569 0.7407 1.0204 0.7607 0.7165 0.9951 0.8526 0.9286 1.2182 0.7460 0.7470 1.0348 0.5760 0.9221 0.6839 1.2979 0.9772 0.5426 1.1488 1.3122 0.7875 0.7708 0.7253 1.1217 0.6170 1.0266 1.1214 1.3124 1.0036 1.3675 0.9320 0.6106 1.0321 0.9228 1.0796 1.7853 0.4704 0.8029 0.9441 0.8965 0.6495 1.3645 1.2235 1.1851 0.8978 1.4578 1.3051 1.2249 0.6520 1.1792 1.1642 0.8993 0.8465 1.2085 1.6595 1.0369 0.9589 0.8045 1.2005 1.2050 1.2308 1.1348 1.3964 0.7935 1.0020 1.3562 1.0400 1.0406 1.1199 0.8222 2.0180 1.1705 1.1001 1.2759 1.6779 1.4649 1.2764 1.2527 1.6531 0.9980 1.1485 1.0674 0.8327 1.1238 1.1101 0.7381 0.9660 0.7016 0.8398 0.9026 4-methylbenzenesulfonate 0.8226 0.7190 0.8136 1.0075 1.1498 1.1155 1.2929 0.7907 1.3769 0.9771 0.7388 0.8435 0.8499 0.8820 0.9167 0.8853 1.2189 0.8469 0.7920 0.7399 0.7747 0.8893 0.8096 1.0098 0.8452 0.9418 1.2482 0.8236 0.8656 1.3021 1.2337 1.1541 0.7912 1.0097 0.6743 0.7452 0.8876 1.2564 0.8610 0.8879 1.4642 0.8929 0.7550 0.6913 1.4515 0.9164 1.1478 1.1270 1.4056 1.0792 1.3625 1.3720 1.2629 1.1036 1.0634 0.9089 1.0080 1.2027 0.9491 0.9815 1.2521 0.6877 1.0148 1.1800 1.3285 1.0513 0.8734 0.9554 1.0127 0.8117 0.6798 1.4705 1.0107 0.8314 0.9943 1.3976 1.0057 0.9117 0.9747 1.1280 0.9468 1.3746 1.2301 1.2988 0.8648 1.0625 1.1336 1.1369 1.1614 1.4302 0.9546 1.1036 0.8171 0.6725 0.7808 1.2876 0.9169 0.8399 0.9541 1.2549 0.9445 1.2438 1.2885 1.3744 1.0577 1.2672 4-methylcatechol sulfate 0.9390 1.8973 0.7054 0.2984 0.1104 0.5828 1.0741 1.6794 0.9218 1.9334 1.3737 1.1387 1.0902 1.0262 0.3827 1.2250 0.6129 0.5838 1.3120 1.0859 0.2772 1.5569 1.0171 1.9891 0.2175 0.6678 0.8344 1.2383 0.5152 1.0821 0.8224 0.3834 2.4203 5.6128 1.6491 1.9461 2.5820 0.6200 3.3174 0.3836 0.5892 5.1836 0.5230 0.4598 1.2745 0.8216 0.4028 0.9499 0.7026 0.8959 0.5832 0.1192 1.4335 2.1463 0.6081 0.8709 2.1760 0.6155 0.9881 1.1731 0.9659 2.2551 1.1419 2.5063 1.6912 0.9245 1.6907 0.9689 8.1588 1.3188 0.6379 1.1171 0.5676 0.7429 0.4364 0.8087 0.8283 1.2834 2.9191 0.2727 0.3952 0.7369 1.1689 0.6504 0.9599 1.1084 0.5059 0.2605 3.8896 1.0553 1.1760 1.0119 0.0500 2.8485 2.0380 0.8987 1.8809 0.7734 7.1387 2.4985 1.1037 2.5857 0.3685 1.0701 1.0983 0.8326 4-methylguaiacol sulfate 0.7282 2.3734 1.1954 0.1507 0.1507 0.4568 0.6584 3.9217 0.6796 1.3310 1.3330 1.0126 0.8650 1.3305 0.3342 0.9998 0.6374 0.5835 1.2618 0.5665 0.1507 1.3857 0.6328 1.7937 0.1507 0.4679 0.8681 0.7537 1.7329 1.3270 0.6145 0.3692 2.0425 20.0521 2.0072 2.5989 3.7243 0.6908 3.6341 0.4827 0.2456 5.4748 1.1957 0.2047 0.9783 0.7139 0.1507 1.2993 0.3722 1.1183 0.5951 0.1938 2.5688 2.2512 0.3521 1.0008 2.7658 0.4999 1.5049 4.8921 0.6505 3.5186 1.0000 3.0428 1.2578 0.5709 0.8654 0.9812 25.0103 0.9592 0.8041 0.7246 0.4827 1.2126 0.3306 1.2677 1.5221 0.8453 2.8533 0.1507 0.3043 0.6084 1.6204 0.3357 0.8401 1.1207 0.3138 0.3544 4.0167 2.8251 1.0816 0.7474 0.1507 5.8142 2.6727 0.2689 1.8071 0.5898 9.4570 1.8166 1.0221 2.2596 0.1507 0.9597 1.2873 0.7945 4-methylhexanoylglutamine 1.3845 0.5614 1.1049 0.3499 1.1780 0.8927 0.9292 0.3499 0.7288 0.5431 1.3293 1.5614 1.2256 1.6728 0.8846 5.4706 1.1293 0.3499 0.3499 0.4493 0.8321 0.3499 1.0109 0.3499 0.5414 0.9076 0.3499 0.3499 2.1603 0.8239 1.3833 0.3499 0.7281 0.5525 0.7374 1.4608 0.3499 0.8709 1.2637 0.7551 0.3499 0.7618 0.3499 1.5400 1.0292 0.5323 0.3499 1.3670 0.9869 0.3499 0.3499 0.3499 0.5720 0.3499 0.3499 0.3499 0.8683 1.1222 0.3499 0.7147 0.7209 0.3499 2.2332 0.9474 0.3499 2.5480 0.3499 0.3499 0.9447 1.0643 0.5666 0.3499 2.8984 2.8277 0.8672 0.8522 0.3499 4.1306 1.4441 1.3564 0.9891 1.8400 0.9346 1.3452 0.4707 0.9657 1.5654 0.6193 1.2769 1.3877 2.2295 1.0172 1.3081 0.4589 0.4596 0.8320 1.6971 0.9085 0.3499 0.3499 1.3345 0.3499 1.5468 1.9192 1.5311 0.7454 4-vinylguaiacol sulfate 1.8784 0.9328 4.6899 0.7354 0.1516 0.0658 0.4001 0.0658 0.2931 0.6133 3.9578 1.0802 3.0001 1.2128 4.0982 1.4588 2.9337 1.1189 1.0567 0.3458 0.1971 0.9061 1.8566 1.9044 0.9488 1.4012 2.5480 1.8054 0.1552 1.6522 0.7402 1.1947 0.4289 5.0889 1.7483 2.1128 0.1593 8.7611 9.1946 0.9684 0.0658 0.3759 2.5610 0.2427 0.6452 4.9464 1.2473 0.6946 0.5968 1.8706 1.0316 0.0658 1.3907 1.4451 0.2442 2.7638 0.1397 4.3854 2.9408 0.2310 2.4521 2.1613 0.0658 0.0658 0.1990 1.1600 0.0658 0.0658 0.4485 0.0658 0.0658 0.2253 0.4977 0.0658 0.0658 0.0658 0.3072 0.2527 0.0658 0.0658 0.6338 0.0658 0.0658 0.0658 0.3523 0.3540 0.0658 0.4935 0.4658 1.4761 0.0658 0.0658 0.0658 1.8400 0.0658 0.0658 0.2999 0.0658 0.1403 0.0658 0.0658 0.0658 0.1434 0.0658 0.2626 1.2034 4-vinylphenol sulfate 0.8546 4.0451 5.3445 0.5810 1.5211 0.2934 0.8309 1.0060 0.7399 0.2857 2.7744 1.1961 1.6291 3.6681 1.2232 0.5400 1.0928 0.7476 1.4607 0.6721 1.7958 0.8578 2.3102 1.0542 1.1109 0.7786 1.3500 0.8043 0.3665 0.4233 3.5793 0.8178 0.4243 1.7995 0.8620 1.2754 0.3162 5.0822 1.0400 1.7543 0.3608 2.2782 1.1667 2.4078 2.0347 2.1157 0.5668 0.4995 1.6127 1.6669 1.2625 1.0730 2.2794 2.4063 1.5171 0.6772 0.4634 5.1472 4.2723 0.7422 1.1481 0.6485 0.2175 0.5779 0.3737 5.5444 0.6968 0.4317 1.3484 1.4197 0.8093 0.6708 2.1837 0.1320 0.5030 0.9940 0.6096 1.3342 0.2926 0.2239 0.7359 0.6090 0.6489 0.5519 0.5056 1.5201 0.2952 2.5991 1.8305 4.3266 2.3149 1.3246 0.3075 2.0563 0.3637 0.5329 1.1515 0.5277 4.3959 0.7568 0.5614 0.6217 0.8588 0.9718 1.1045 2.4008 5,6-dihydrothymine 1.1954 1.2316 0.9988 1.0790 1.0012 1.1806 0.5863 0.9758 1.2700 1.3600 0.7067 1.3883 0.6746 0.8784 0.7715 0.7441 0.9710 1.8396 1.0167 1.7908 1.0040 1.1787 1.0420 0.6677 0.8753 1.5977 1.6678 0.7327 1.2448 0.4944 0.9816 1.6565 0.7397 2.3354 0.7200 1.0583 0.5922 0.5622 0.7630 1.4497 0.8769 0.8922 0.7854 1.2826 0.7871 0.7210 0.8621 0.7158 0.9928 1.9448 1.0034 0.9189 0.6939 0.6549 0.7419 1.4217 1.0872 1.2437 1.8295 1.2022 0.9579 0.7214 1.0864 0.8841 1.6476 0.8430 0.8651 1.0013 1.7084 0.6893 1.0760 1.3416 1.4447 0.6552 0.9391 0.9497 0.8502 1.1237 0.7960 1.5952 1.2811 1.5086 0.8591 0.9814 0.9578 1.0023 1.0024 0.7291 0.7998 1.1398 1.5637 0.9734 0.7918 1.1062 0.7644 1.2757 1.1880 0.7783 1.1593 1.8162 1.1353 1.0174 1.4259 0.8850 1.8787 0.6934 5,6-dihydrouracil 0.9332 0.7965 0.5031 0.5031 1.1382 1.2591 1.0812 0.5031 0.8113 1.0000 0.5031 1.0495 1.0655 0.5031 0.8038 0.5031 1.1083 1.0440 1.4070 0.9573 0.5031 0.5031 0.5031 0.5031 0.8655 0.6448 0.5031 0.5031 1.0675 1.0133 0.7189 1.2226 0.5031 1.2162 0.9507 0.5915 0.5031 0.5031 0.8628 1.6401 0.5031 0.5031 0.9022 1.4420 0.7122 0.7562 0.5031 0.9892 0.5031 0.5031 0.9415 1.1001 0.5031 0.5031 0.5031 0.8908 0.5031 0.5031 1.0347 0.5031 0.5031 0.5031 0.5031 0.5031 1.1358 0.5031 0.9402 0.5031 1.5808 0.5031 0.9979 1.2094 1.3406 0.5031 0.5031 0.5031 0.7558 0.7941 1.3679 0.5406 0.5031 1.5480 0.5031 0.5031 0.8746 0.5031 1.0950 0.5031 0.5031 0.8797 1.0214 1.1094 0.7919 1.1033 0.7900 0.5031 0.7280 1.2953 0.5031 1.5563 0.5031 0.8920 1.5888 0.5031 1.3169 0.9401 5,6-dihydrouridine 1.0003 2.4030 1.0254 0.8292 0.7683 0.9061 1.1806 1.0187 0.8949 1.7250 1.0499 0.9922 0.8873 1.0222 1.1496 1.3328 0.8929 1.1823 0.9997 0.8696 0.8733 1.0003 0.9409 1.1960 0.7980 1.1130 0.9450 0.7315 1.3645 1.1168 0.7368 1.1148 1.0010 1.6064 1.0113 0.6564 0.9611 1.1707 1.1476 0.7191 0.7187 0.8500 0.7763 0.8494 1.6100 1.0040 0.6473 1.4928 1.0854 1.6220 0.8039 0.9086 1.1042 0.7723 1.0334 0.8946 0.8213 1.0196 1.1279 1.0791 0.8269 0.8188 0.9539 0.8752 1.4153 0.9221 1.0320 1.2225 1.9142 1.2882 1.1037 1.2247 1.7252 0.6762 0.6206 1.1705 0.8477 1.3748 0.9649 1.0775 0.9244 0.9849 1.2019 1.4131 0.6068 0.9260 0.9691 0.9180 0.9544 2.1637 1.9962 1.1935 0.9509 1.1853 0.7583 0.9974 0.7988 1.0613 0.8850 0.8525 1.0537 0.7450 0.8007 0.7864 1.5109 1.1616 5-(galactosylhydroxy)-L-lysine 0.4622 3.7624 0.8799 0.4622 0.5531 0.9802 0.6968 0.4622 0.4622 1.4458 0.8826 0.6518 0.9547 1.4034 1.1539 1.9713 0.4622 0.4622 0.4622 0.6453 0.7722 1.0485 1.8011 0.9056 0.4622 1.1402 0.4622 0.4622 0.7937 0.6578 1.0387 0.4622 1.3334 2.5682 0.4622 0.7921 0.4622 0.4622 0.4622 0.4622 0.4622 0.8912 1.8940 1.3760 1.4569 0.4622 0.4622 3.1096 0.4622 1.4476 0.8478 0.9963 0.4622 0.8866 2.6776 0.4622 1.1615 0.4622 1.9148 0.4622 0.4622 0.7569 1.6576 0.4622 0.9053 0.4622 0.4622 1.8350 1.2454 2.4132 0.4622 1.4894 2.5741 0.4622 0.7327 0.4622 0.7867 0.8538 0.4622 0.4622 0.4622 0.6649 0.4622 0.4622 0.4622 0.9330 0.4622 0.4622 0.4823 0.9684 3.0589 0.4622 1.2781 0.4622 0.4622 0.5970 1.0000 0.4622 0.4622 0.4622 1.2471 0.4622 0.6625 0.7914 1.4792 1.3045 5-acetylamino-6-amino-3-methyluracil 1.0839 2.3657 2.3973 0.0203 0.2254 0.2216 0.8629 0.2377 1.4043 0.2111 2.1586 0.9517 1.1605 1.3243 1.0536 0.9338 2.2564 1.7930 2.5780 1.9264 0.4715 0.7854 1.7048 0.9913 0.8238 1.2073 1.5281 1.8618 0.5091 0.8768 0.9395 0.4316 2.7861 0.9824 1.6444 2.5664 1.1307 4.4494 1.7014 1.1464 0.0059 1.2308 1.0401 0.9860 0.7844 1.9507 0.6826 0.4200 0.8383 1.9531 1.2122 0.1256 1.2291 0.6413 0.8587 0.4540 1.6983 1.1846 1.0331 0.1635 1.2487 1.8749 0.2369 0.5422 1.4313 1.9626 1.2046 0.9569 1.0459 0.1881 0.6727 1.4022 1.9355 0.5593 2.6251 0.8435 0.1978 1.5395 0.4501 0.6157 0.9942 0.9059 1.3544 1.8903 1.3352 1.2299 0.0938 0.3028 0.1416 1.7322 1.0058 0.7247 0.4861 0.7118 0.1464 0.6825 0.9519 1.0656 0.6302 0.3561 1.1688 0.2733 1.2786 0.3731 1.3663 2.3305 5-acetylamino-6-formylamino-3-methyluracil 0.6192 1.0099 1.6111 0.0760 0.5038 0.2451 0.6370 0.1716 2.4098 0.2774 2.5118 0.7515 1.0685 1.5550 0.9715 0.7886 4.0179 2.3415 5.4608 4.2201 0.3092 1.9857 1.0896 0.6283 0.6485 1.2085 1.6456 1.5911 0.6668 1.3564 0.6916 0.4031 5.3774 0.9901 2.6738 6.2011 2.6505 8.4598 1.2150 1.5690 0.0760 2.4204 1.0448 2.8525 1.8878 4.6752 0.6742 0.4321 0.4810 2.1143 0.8443 0.2197 0.8548 0.7168 0.4729 0.7428 3.3701 1.1861 0.5521 0.3473 1.2030 1.9606 0.1959 0.7842 2.9743 1.6020 0.5930 1.0478 0.3625 0.3598 0.6964 1.8055 1.3196 0.3597 7.0556 0.4293 0.3332 1.0379 0.3462 1.1537 0.5649 1.7439 1.6066 2.4937 1.4270 0.9741 0.0760 0.4429 0.0801 1.9465 1.2505 0.4029 0.6060 0.4553 0.2864 0.5717 0.7113 1.2678 0.4652 0.3588 2.6239 0.2815 1.0313 0.2622 1.0220 1.2045 5-dodecenoate (12:1n7) 1.0773 0.7786 0.8815 0.2409 2.1954 0.8213 2.0229 0.2151 0.7380 0.3141 1.0063 1.0837 0.4614 1.1550 1.3983 1.4804 1.1819 0.5570 0.5343 0.7918 0.8141 0.5377 1.3532 0.6980 0.5686 1.1057 0.7422 1.0087 1.6919 2.1263 1.6560 0.7140 0.5000 0.6294 0.5122 0.9937 1.2579 0.7589 0.6564 1.1170 1.1794 0.4936 0.8844 1.1657 1.9949 0.6497 0.9639 0.9563 1.1173 0.6002 1.4276 3.2044 1.2633 1.4648 0.2568 0.6566 1.3259 0.5525 0.9592 1.5864 1.2031 1.2821 1.4383 1.0304 0.5539 0.7491 0.7829 0.7735 1.0921 0.8751 0.9517 1.3678 1.7419 0.5338 1.0605 0.9619 0.7978 1.7760 1.4813 3.3026 0.4551 3.3116 1.3662 0.9325 0.6232 0.7063 1.5771 2.0528 1.1345 0.6768 2.1248 0.9522 1.2383 0.8307 1.3400 2.1031 1.7003 1.5076 0.3205 1.0717 0.9147 1.4632 0.8509 1.0170 1.3671 0.7778 5-dodecenoylcarnitine (C12:1) 1.2329 0.5107 0.8084 0.1733 0.7635 1.1726 1.4549 0.1792 0.7460 0.1026 0.5930 0.9886 0.7560 0.5510 0.5813 1.3798 1.7966 0.2806 0.6575 1.3194 1.6022 0.3590 0.6637 0.4938 0.7132 0.3830 0.2943 0.6921 1.3138 1.9697 0.6693 0.6560 0.9065 0.7435 0.5919 0.5912 1.1097 1.2549 0.7542 0.9475 2.1391 0.5362 0.5070 1.2198 2.9246 0.6484 0.2164 1.4178 1.4218 0.6308 2.4871 2.6588 1.2894 2.0384 0.3023 0.4609 0.6109 1.0114 0.8083 1.3264 1.5120 1.5844 1.2918 2.0785 0.4743 0.9168 1.2495 0.7218 1.1677 2.1085 0.8633 1.1394 2.2152 0.5506 0.6441 0.7340 0.1882 2.7019 1.1178 1.4116 0.4860 3.7909 1.5190 1.8713 0.7637 1.3517 1.9003 2.3410 2.3821 0.5951 4.0405 1.0363 1.2325 0.7927 2.2922 1.3144 1.2925 1.8307 0.2426 0.9772 1.7112 0.8569 1.4555 1.3433 2.4454 1.5374 5-hydroxy-2-methylpyridine sulfate 1.0548 0.5205 4.3173 0.0666 0.0666 0.0666 0.1187 0.0666 0.0666 10.8015 3.8030 0.9467 11.0441 1.5736 5.5101 1.4486 1.5574 2.0844 1.9847 3.4890 0.0666 0.0666 1.9858 1.6244 1.0017 0.9304 1.9084 2.0982 0.0666 0.3993 0.1015 1.0000 1.8939 2.2025 1.0611 2.6818 0.2766 4.3568 5.4444 0.5839 0.0666 0.0666 3.2710 0.1837 0.2174 5.9963 0.6058 0.7309 0.0666 1.3272 0.6659 0.0666 0.5952 0.4603 0.0666 1.4944 0.0784 3.7673 4.9804 0.1748 2.5908 4.0812 0.0666 0.0666 0.2097 0.1912 0.2972 0.0666 0.1248 0.0666 0.0666 0.0666 0.1233 0.0909 0.0666 0.0666 0.0666 0.1617 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.0666 0.1705 0.0666 0.1360 0.0666 0.2230 0.0666 0.0666 0.0666 0.4066 0.0666 0.0816 0.0666 0.0666 0.1914 0.0666 0.0666 0.0666 0.0666 0.0666 0.2212 1.0960 5-hydroxyhexanoate 0.3296 4.7124 0.7005 0.8690 1.9945 0.3296 0.9996 0.3296 0.3296 0.5177 1.7561 0.7362 3.4040 1.4310 0.3296 0.6120 1.1912 0.7466 0.3296 0.7347 0.9493 1.0004 0.3296 2.3685 0.3296 1.3665 0.3296 0.9077 0.3296 1.8085 1.3571 0.3296 0.5737 1.2347 0.3296 1.1342 0.3296 1.1416 1.8336 0.3296 0.9109 1.3135 0.7075 0.3296 0.7978 0.9951 0.5557 0.4308 0.3296 1.1028 0.3296 1.0934 0.5342 1.5003 2.0864 0.3296 0.9088 1.3943 1.8130 1.6643 0.6527 0.6114 1.6422 1.0795 2.0193 0.3296 0.7766 0.8521 0.3572 0.8392 0.8386 3.3134 0.7650 1.0738 0.3296 0.3296 1.0636 1.1804 0.3296 0.3296 0.9105 1.3764 2.5390 0.3296 0.3296 0.3641 0.6997 0.3296 0.3296 0.8382 1.5662 1.4248 0.3296 0.7798 1.4138 0.4506 3.1243 0.3296 0.5623 0.5170 1.7354 0.3296 0.7747 0.3296 1.3189 0.7074 5-hydroxyindole sulfate 0.7702 0.3434 3.1674 0.6506 0.3434 0.3434 1.3193 0.6879 0.7821 0.5466 1.7997 0.5549 5.4169 0.9519 0.8440 1.2479 0.9948 1.5841 1.3618 0.3434 0.3434 0.3434 0.4662 2.2175 0.3434 0.4165 0.3434 0.5296 0.3434 0.3434 1.8019 0.3434 5.9324 1.5248 0.3434 1.4925 0.3434 0.8206 0.9542 0.3434 0.4568 0.8287 2.3967 0.3434 0.3434 0.3434 0.3434 0.8715 0.4519 2.3618 0.3434 0.3434 0.3434 0.9546 0.8725 1.2358 0.3434 3.0331 0.3434 1.0425 0.3434 0.3434 0.3434 0.4932 1.5097 1.2995 0.3434 0.3434 1.7926 1.6969 0.9234 0.3434 0.7956 0.3434 1.0000 0.3434 0.3434 0.9280 1.2926 0.3434 0.9344 0.3434 1.3439 1.4459 0.5551 0.3434 0.4158 0.3434 0.3434 1.2798 2.0583 2.5075 0.6076 1.8507 0.3434 0.3434 0.4300 1.4385 0.5612 1.0739 0.3434 0.3434 0.8332 0.3434 2.7164 1.0658 5-hydroxyindoleacetate 0.8924 1.0780 1.1574 1.5327 0.4199 0.6078 1.2430 1.4162 1.3702 0.9660 0.7421 0.8706 3.6390 1.1022 1.4888 1.4537 2.6262 0.8485 1.2272 1.0000 0.6147 0.4199 1.4547 0.6651 0.5068 1.4461 0.8674 0.7383 0.8411 1.4509 1.2134 1.0212 0.8752 1.8011 0.8320 0.6421 1.3771 1.6093 1.6573 0.6288 0.7122 1.6147 0.9072 0.6447 0.7569 0.8559 0.4199 1.0223 0.6848 1.9137 0.4199 1.0177 0.8251 0.4824 1.3393 1.3346 0.4199 1.3370 2.4185 0.4712 0.8745 0.4199 0.4199 0.4199 1.1690 0.8320 1.1058 2.1554 0.7687 1.2509 0.5055 1.7961 1.8704 1.1817 1.2045 1.0078 0.8480 0.9514 1.1151 0.4199 0.4199 0.4199 0.8034 0.9704 1.5241 0.7297 1.1006 1.2285 0.4199 2.8596 1.2705 1.6431 0.5581 0.6387 0.6659 0.6909 0.5370 0.8626 0.4276 0.5223 0.4199 0.5757 0.7271 0.4199 2.3485 0.4743 5-hydroxylysine 0.7498 1.1814 1.1640 0.6203 0.7176 0.7266 1.3775 1.0250 0.8594 1.7651 0.6527 1.0213 0.8917 0.4946 0.6196 0.6332 0.9537 1.2373 1.3236 0.9408 0.5615 0.4925 1.1398 0.8890 0.8798 1.0355 0.6483 0.4262 1.5217 1.0629 0.7988 1.3217 1.0664 1.2327 0.6077 0.9505 0.8814 0.6925 1.1178 0.8867 0.6396 0.6492 0.6549 1.0829 1.4829 1.0021 0.8942 1.9514 0.5194 1.5197 1.0352 1.2061 1.1703 0.9380 1.3867 0.8435 0.9950 0.9891 0.8581 1.1157 3.4269 0.8070 0.8386 0.6004 1.1668 1.5124 1.3585 1.0677 1.4592 0.9829 1.0548 1.2233 0.9339 1.5454 1.2262 0.7845 0.9776 1.2380 0.9979 0.8670 0.5651 1.3526 1.2372 1.7855 0.8710 1.4579 1.4171 0.9263 1.1499 3.2804 1.1662 1.5164 1.1152 4.1631 1.0296 1.1311 1.7181 0.5373 0.5416 0.9241 1.1962 0.9218 0.8992 1.2478 0.9627 0.8200 5-methylthioadenosine (MTA) 0.7876 1.0384 0.7178 0.4278 0.5386 1.0842 1.0733 0.3913 1.0661 0.8185 0.4227 0.7527 1.0567 2.1002 0.7302 0.6981 2.2379 0.6713 1.9127 1.2569 0.6694 0.7236 1.0039 0.8016 0.5868 0.7097 0.9756 0.4655 0.6426 1.3428 0.4255 0.8381 0.7415 1.8438 1.4369 0.3876 0.8638 1.1848 0.5644 0.6938 0.9965 0.9468 0.7521 0.9704 1.8001 0.9492 0.6611 0.7451 1.1733 1.6647 1.0791 2.6504 1.0494 1.0588 0.9979 1.3814 0.9406 2.1052 1.0677 0.8221 1.3123 1.0021 1.1044 1.1912 0.9089 0.8642 1.1219 1.3038 1.6909 1.1298 1.7579 2.0217 1.9425 0.5539 1.1224 1.1019 0.5395 1.2398 1.3972 1.1140 1.0176 1.4869 0.8313 1.8170 0.7377 0.5636 0.9901 0.7104 1.2741 1.6873 1.3564 2.0800 1.2080 0.7494 1.2251 1.0304 0.9932 0.8935 0.7155 0.8576 1.1452 0.6179 0.5840 0.7253 1.0266 1.1709 5-methyluridine (ribothymidine) 1.2909 1.4512 1.0033 1.1082 0.9490 0.7815 0.8963 0.9049 0.9883 0.9248 1.0234 1.1802 0.8798 0.9235 1.0401 1.0290 0.9484 0.9071 0.9550 1.2215 0.9867 0.8464 1.0473 0.9618 0.7344 0.9016 1.1539 1.2519 0.8177 0.9137 0.9501 1.0482 0.7321 1.4146 0.9689 0.9126 0.9431 1.1554 0.8478 0.8763 1.1162 0.8515 1.1570 0.8489 0.8742 0.7320 1.0067 0.9352 1.1090 1.2466 1.0560 0.7251 1.0859 1.2167 0.7537 0.7771 0.9967 0.9173 0.9437 1.2010 1.3523 0.8398 0.9369 1.1310 1.1133 1.0900 1.2870 0.7187 1.1233 1.0350 1.0582 1.1089 1.4560 0.7249 0.8917 1.1319 0.8909 1.4272 1.1258 1.1161 0.9443 1.0989 1.2464 1.3781 0.8627 0.9055 1.4140 0.8169 0.9278 0.8278 1.0420 0.9743 0.8600 1.0076 0.9457 1.1846 0.9019 1.3365 1.2428 1.4487 1.3938 1.1340 1.1125 0.8970 1.2149 1.2229 5-oxoproline 1.1553 1.1462 0.9586 1.4857 1.1016 1.0323 0.9291 1.1783 0.9702 1.2221 0.7105 1.1026 0.8179 1.3312 1.0636 0.9991 1.0425 1.1468 0.9545 0.9408 0.9767 0.6422 0.9511 1.0391 0.7983 0.7682 1.3331 0.8613 1.1510 0.9792 0.9638 0.8574 0.8738 1.1771 1.3539 1.6695 0.8241 0.9849 1.0021 0.8563 1.0127 0.8813 0.9333 0.8858 1.0435 0.7881 0.8267 1.0496 0.9210 0.8786 0.8361 0.9134 1.1265 0.8208 0.9205 0.9465 1.1607 1.0020 1.1043 0.9914 1.0231 1.0098 0.9966 1.0956 1.1016 0.9944 0.7339 0.9240 1.2623 0.6342 1.0009 1.3741 1.2359 0.7315 1.0522 1.1035 0.9971 1.3876 1.0191 0.9948 1.1798 1.0570 1.0581 0.8938 0.7350 0.7811 0.9622 0.7312 0.8270 1.1540 1.2019 1.0611 0.9777 0.9099 1.2948 0.9562 1.2216 1.2987 0.9433 1.0672 1.0485 1.0067 1.2091 0.8298 1.2446 1.1049 5alpha-androstan-3alpha,17beta-diol disulfate 1.5257 0.5351 0.2515 0.1230 3.0846 0.7256 0.1230 1.7223 0.3960 0.4800 0.7307 0.6516 0.4306 0.1230 0.1230 3.3796 1.1742 0.1230 0.3060 0.2670 3.6125 0.9895 2.0878 0.1230 0.1230 2.3690 0.3174 0.7764 0.1230 0.1230 0.1230 1.8681 0.2057 0.5031 0.5394 2.2985 0.1230 1.1150 1.5561 1.2946 0.1230 0.7217 0.1230 0.9983 0.4310 0.3524 0.2660 0.1230 0.6329 1.8568 2.6119 2.4902 0.1230 0.1230 0.1230 1.4891 0.1230 1.8016 0.5305 0.3822 1.0017 1.2568 4.6863 0.6036 0.1230 1.0049 0.1230 0.1230 0.1230 0.6304 1.6218 0.1230 0.8940 0.1230 0.1230 0.1230 1.6888 1.0858 0.5834 0.1230 1.0639 1.2117 0.1230 0.2071 2.6020 0.1230 6.1208 3.2568 0.1764 0.1230 0.1230 1.1079 2.3484 1.1777 2.3915 0.1230 0.2106 0.5996 0.5368 1.8601 0.9569 3.9700 0.7792 0.1230 1.1709 0.3102 5alpha-androstan-3alpha,17beta-diol monosulfate (1) 1.5173 0.9334 0.1335 0.3100 1.5550 1.0852 1.8785 0.1335 1.6880 0.5070 1.3900 0.9953 1.4447 0.1335 0.4984 3.0262 0.1335 0.1335 1.1250 0.3659 2.3048 0.1335 0.1335 1.4083 0.1335 1.1982 0.7970 0.4502 0.3974 1.6005 0.5212 1.1649 0.3781 1.3293 2.2769 1.4074 1.5766 0.6037 1.4252 0.1987 0.3238 1.1628 0.3033 1.5175 0.1511 1.6569 3.6828 0.1335 0.1335 0.6429 4.2409 2.4876 0.1583 0.8590 1.0000 0.6409 0.1695 0.2741 0.1335 2.5431 0.7849 1.2086 0.2530 1.6824 0.3489 0.9359 0.1335 1.0446 0.1335 1.1737 2.8410 0.4158 1.5738 0.4821 0.3975 0.2718 1.4327 0.9092 0.7122 0.5737 1.5021 1.8512 0.9679 2.8930 0.7453 0.2810 3.7249 2.6650 0.5554 0.3870 0.1335 2.4792 1.7880 2.1325 0.6279 0.4568 0.8277 1.4008 1.3624 0.5227 0.6369 3.5987 1.8388 0.5989 0.6220 1.2502 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 1.5403 0.8290 0.2129 0.2129 0.6835 0.5969 0.2129 2.4000 0.2129 0.2129 0.4539 0.3379 0.6931 0.2129 0.2129 1.7500 1.9651 0.2129 0.2129 0.2129 1.5210 0.9342 2.8898 0.2129 0.2129 5.5703 0.2129 1.0000 0.2129 0.2129 0.2129 1.1701 0.2129 0.2129 0.9195 0.6208 0.2129 1.4076 2.2417 0.9667 0.2129 0.8154 0.2129 0.2129 0.3253 0.2129 0.2129 0.2129 0.5252 3.4062 1.2078 0.3643 0.2129 0.2129 0.2129 1.2668 0.2129 0.2299 1.6850 0.5106 0.8924 3.3171 1.7078 0.9331 0.2129 4.2066 0.2129 0.2129 0.2129 0.2129 0.7416 0.2129 0.2129 0.2129 0.2129 0.2129 0.2528 0.9423 1.4979 0.2129 1.9344 0.3533 0.2129 0.2129 1.7041 0.2129 2.0968 0.2129 0.2129 0.2129 0.2129 1.4475 1.2250 2.2133 2.2916 0.2129 0.2129 0.3076 1.3606 3.5209 0.7214 2.0318 0.3281 0.2129 0.9654 0.8337 5alpha-androstan-3beta,17alpha-diol disulfate 1.4946 2.9008 0.1259 0.5215 1.5942 0.3245 0.8422 1.1409 0.6681 1.1767 1.5349 1.1747 0.8168 0.7613 0.1259 1.4378 0.1259 0.1259 0.9059 0.4951 2.7483 5.4420 0.4378 0.6017 0.1259 0.2664 1.7330 1.1474 0.1259 0.8292 0.3155 1.2751 0.1259 2.4895 0.1547 0.9552 0.1259 0.7850 3.4469 2.5389 0.1259 1.1379 1.4325 0.2518 0.1259 0.8484 0.7478 0.1259 0.1259 0.7010 1.3463 0.2317 0.1259 0.1724 0.1693 0.4830 1.4173 2.8291 0.1259 0.9757 1.7272 0.5047 4.7224 1.9316 0.1259 0.1259 0.1259 0.1259 0.1259 1.7173 0.8212 0.1259 0.5519 0.1259 0.1259 0.1259 1.3726 1.2537 0.3212 0.1259 1.9649 1.6801 0.6026 0.6018 0.1817 1.3278 3.3175 1.0000 0.1259 0.1259 0.8490 1.6287 1.2230 0.4128 3.0012 0.4654 0.2518 4.2969 0.9038 2.8561 1.1390 2.9379 1.2301 0.4984 4.8021 0.7023 5alpha-androstan-3beta,17beta-diol disulfate 1.7501 1.0000 0.4115 0.7841 3.8874 0.7855 0.9755 1.4345 1.6985 1.0424 2.8504 0.9954 1.3409 0.3213 0.1185 3.3011 0.8810 0.0953 1.1427 0.5799 3.2291 0.7616 1.3481 0.5392 0.0178 2.1607 0.8686 1.0238 0.1762 0.3255 0.4265 2.2082 0.5032 0.9638 0.7922 2.9644 0.2043 1.8204 2.3086 0.9703 0.1992 1.6515 0.5337 3.9981 0.4873 3.1072 1.5679 0.4486 0.6179 1.7608 4.3721 2.4382 0.0811 0.6448 0.7868 1.3761 0.2791 1.1875 0.6746 1.9393 1.9474 0.8658 1.4442 1.5775 0.1873 1.4180 0.0546 0.1097 0.2789 2.1202 1.9015 0.0178 2.3363 0.1484 0.3149 0.1181 5.7245 1.8607 0.7704 0.1505 2.2840 3.7216 0.4582 0.9555 1.5737 0.1926 16.9235 13.4757 0.2743 0.1305 0.9395 2.4298 2.8597 1.7691 1.7300 0.3760 0.7204 2.0943 1.4699 1.5459 1.9666 5.4683 1.7964 0.2214 1.4928 0.9175 5alpha-androstan-3beta,17beta-diol monosulfate (2) 1.2810 1.3095 0.1778 0.2372 1.7930 0.5816 1.1112 0.1778 1.3159 0.2731 2.5416 0.4877 0.9895 0.1778 0.4638 2.0906 0.1778 0.1778 0.8603 0.2678 1.7347 0.1778 0.1778 0.8109 0.1778 1.4815 0.4006 0.3087 0.1778 1.3812 0.8311 0.7259 0.3578 1.2067 1.8947 0.7171 1.0686 0.8096 1.8030 0.2608 0.1778 1.2146 0.3583 1.3453 0.2203 1.7408 2.0925 0.1778 0.1778 0.8085 2.5240 2.7133 0.1778 0.7819 0.6970 0.4524 0.1778 0.1778 0.1778 2.4199 1.0000 0.9731 0.1778 1.6312 0.1870 1.0814 0.1778 0.6233 0.1778 1.2056 1.4108 0.1778 0.7482 0.1778 0.1778 0.1778 2.9045 1.0045 0.5572 0.2610 1.5674 2.2270 0.6849 1.0128 0.3464 0.2242 3.8210 3.5365 0.4321 0.1778 0.2377 1.8295 1.3703 1.4445 0.5764 0.1778 0.6360 1.2396 1.3781 0.6911 0.7306 3.1100 1.1368 0.1778 0.3544 1.1823 5alpha-pregnan-3beta,20alpha-diol disulfate 1.8352 1.2333 1.9211 0.1202 1.9097 0.3789 0.6210 1.1253 0.7427 1.3702 1.2008 2.3438 0.3893 1.5126 0.5072 4.1255 0.4930 0.3169 2.2736 0.8763 2.7731 6.1999 1.1639 1.1031 0.3568 0.7126 3.4031 1.7196 0.3083 0.4387 0.6895 0.9497 1.2445 0.5371 0.5120 2.6434 0.3054 1.1529 2.0140 1.7649 0.3206 0.9012 0.9034 0.9523 0.2752 0.7323 1.3300 0.3849 2.8729 1.4416 1.2880 0.8095 0.1516 1.1416 0.9252 2.3100 0.6657 6.1124 0.2206 0.4425 1.3970 0.7741 1.7675 1.4807 0.5586 0.3009 0.4634 0.0917 1.2989 2.2396 0.9271 0.1737 2.7621 0.0917 0.0917 0.0917 0.7646 0.9462 0.7071 0.9135 0.9345 1.7462 0.8459 1.8044 1.7945 0.4296 3.2308 1.5979 0.6551 0.0917 1.1201 1.2859 2.3973 0.7981 1.2682 1.2534 0.9715 1.0285 1.4501 0.5977 1.6395 2.1211 0.7706 0.2973 2.4197 1.4809 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 2.1432 1.6407 1.5820 0.1506 0.9882 0.1506 0.8941 0.9759 0.5961 0.5427 1.1436 1.5616 0.3537 0.8288 1.3919 2.6429 0.2933 0.3653 1.8918 0.9909 1.4004 4.5943 0.9419 1.5632 0.1506 1.6163 1.6627 1.7764 0.8164 1.8676 2.3680 0.4178 0.8378 0.5126 1.0214 0.9930 0.8992 1.0365 2.7022 0.8621 0.4119 0.8736 0.5872 0.5064 0.1506 0.5969 1.2420 0.1506 1.3440 2.1131 0.7923 0.3299 0.1800 1.5041 1.1108 1.6274 0.8446 1.8940 0.5957 0.6163 1.5439 2.3433 0.7427 2.5860 0.5822 1.0677 1.0070 0.1562 1.5245 1.4123 0.4399 0.5687 1.1091 0.1506 0.3372 0.4027 0.3677 0.7977 1.6525 2.1616 0.9625 0.8309 1.3889 1.7871 1.2590 0.6002 1.2878 0.5000 1.0374 0.1506 0.6834 1.2129 1.2583 1.3082 0.7720 1.6858 0.8786 0.8262 1.9715 0.8251 1.2221 1.5793 0.4144 0.7348 1.8956 4.0942 5alpha-pregnan-3beta,20beta-diol monosulfate (1) 1.8418 1.4308 0.7637 0.3187 0.6684 0.5805 0.7321 0.5175 0.6682 0.7887 0.6151 2.2321 0.3187 0.7929 1.2067 3.1166 0.3187 0.3579 1.1116 1.0086 1.5097 2.2546 0.7025 1.3281 0.8297 1.2278 2.5179 0.7150 0.3187 0.8598 0.6528 0.3187 0.7276 0.6479 0.6045 1.6244 0.7169 0.9105 1.8527 0.6729 0.3187 0.5292 0.7079 0.5120 0.3187 0.4532 1.7141 0.3187 0.9236 0.4449 1.5089 0.5781 0.3187 1.0972 0.7406 1.2046 0.3187 2.8558 0.5708 0.3187 1.3093 1.4927 1.1579 2.4624 0.3187 0.3187 0.3187 0.3187 0.9345 1.9030 1.2122 0.6201 2.8897 0.3187 0.3417 0.3187 0.3187 0.3187 0.6719 1.6358 0.6789 1.0481 1.2807 3.2361 2.1791 0.3187 2.0699 0.7601 0.3187 0.3187 0.4975 1.5245 1.5325 0.8379 1.0000 1.4266 1.1697 1.0806 2.1238 0.9406 1.1937 1.9356 0.7353 0.6500 2.0682 2.3596 6-bromotryptophan 1.6142 1.5570 1.2344 0.8403 0.8000 1.3182 0.8624 1.0433 0.7818 0.8123 1.1441 1.4573 0.5201 0.6932 0.8561 0.8532 0.8015 1.2957 0.5528 0.8849 1.5233 1.6754 0.8759 1.7401 1.1125 0.5635 1.1159 0.7165 1.1638 0.8790 0.8671 1.8097 0.5278 1.3716 1.1975 0.8005 1.3953 0.8133 0.7837 1.1689 1.1934 0.8420 0.8749 0.9987 0.9999 0.8005 0.7481 1.4451 1.6953 0.9603 0.9396 0.4056 0.9742 1.1570 0.8435 1.3136 1.1705 1.1406 1.1431 0.8644 1.1139 0.8670 1.0129 0.8212 1.1517 1.8339 0.9348 0.7916 1.1497 0.6839 1.1181 1.2186 1.1101 0.2308 0.8244 1.5500 0.8049 1.6080 1.0710 1.4585 1.2566 0.7734 0.8640 0.9314 0.6194 0.8217 1.3980 0.7832 0.5201 0.7361 1.6293 1.2828 0.9874 0.8752 1.2886 1.0218 0.9808 1.1338 1.0001 1.0175 1.3188 1.1643 1.1541 0.8621 1.2347 1.0415 6-hydroxyindole sulfate 0.6415 5.0822 1.8211 0.5782 0.3380 0.6809 1.4772 0.9787 1.2700 0.5483 1.1817 0.7868 4.1818 1.4637 1.0387 2.3179 1.6214 0.9520 1.5481 0.6577 0.3837 1.1628 0.4262 1.4947 0.7134 0.9548 0.8810 0.8956 1.2088 0.8037 2.2916 0.5016 3.1783 1.4546 0.6740 2.1172 0.7325 0.5655 1.4517 0.3074 0.5099 1.3115 0.8845 1.0942 1.0072 0.5643 0.5387 1.2116 1.4658 2.7344 0.9639 1.0416 1.1980 2.1996 1.3019 1.0695 0.8431 2.1657 0.8463 1.4041 0.5536 0.9897 1.0919 1.3826 2.1088 1.6699 0.6252 1.5856 2.3240 0.8586 0.9536 1.5221 1.7282 0.6946 1.1761 1.2790 0.6158 0.6909 2.3149 0.5329 1.1877 0.9846 2.0048 1.8011 0.8760 0.8481 0.9726 0.6016 0.4455 1.9561 1.2564 0.9928 0.6698 1.7224 0.6259 0.1903 1.2874 1.1909 0.9179 0.6261 0.6283 0.8636 0.8191 0.6017 1.9662 1.1839 6-oxopiperidine-2-carboxylate 1.0547 1.2321 2.0541 1.9226 0.5581 0.7766 0.8083 0.9997 0.8907 1.1357 1.2184 0.7939 2.1024 0.4947 1.3525 0.6241 1.4025 1.4066 1.4381 0.7641 1.4348 0.8438 1.6704 1.3154 1.0860 1.1069 1.0251 1.3311 0.9873 1.5404 1.0253 1.0501 1.5701 1.1171 1.5831 0.7487 1.2151 0.9567 1.3508 0.9892 0.9001 0.9563 1.4108 0.7256 0.7214 1.8158 1.4878 0.7713 0.8920 1.4787 0.9001 0.9186 1.2100 0.6604 1.3729 1.3953 0.6346 1.0000 1.3802 1.3057 1.3612 1.6751 0.7418 0.7965 1.1595 2.0344 1.0023 0.9844 0.9430 0.9289 0.8438 1.0840 1.3403 1.2051 0.9619 1.0001 0.4856 1.0840 1.4071 0.4856 0.6506 1.2124 0.8574 1.1008 0.7528 0.5922 1.2333 0.5231 0.9790 1.4252 0.8253 0.8401 0.7519 1.3244 1.0354 0.7203 0.6227 0.7295 0.6187 0.8257 0.5425 0.6776 0.6941 0.7475 0.8334 0.7588 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 0.9202 0.7879 1.0742 1.3873 1.9192 1.3126 0.8701 1.1250 0.9466 0.6062 0.6014 0.9244 0.6608 0.8175 1.4572 0.8812 0.6803 1.7537 1.0177 1.2132 1.1086 0.8220 1.1251 0.6715 1.7111 1.0198 0.9894 0.9223 1.3885 2.1271 0.7574 1.3424 1.1789 1.2286 0.8997 1.2194 0.7476 0.7745 0.7627 0.8700 1.1645 1.0603 0.9453 0.9660 1.1714 0.6444 1.8626 0.9525 1.0411 1.4436 1.9901 1.2794 0.6555 1.0704 0.5213 1.1565 0.7945 0.6026 1.7117 0.5926 0.6655 0.8316 1.2570 0.7548 0.8491 1.0640 1.2577 0.7200 2.0658 1.0578 2.0502 1.2845 1.9795 0.4662 1.2217 1.7315 0.7229 1.0221 0.8882 1.3602 0.9909 1.0958 0.6378 0.7665 1.1667 0.6581 0.6103 1.0091 1.4828 0.8529 0.8862 1.4357 2.2032 0.6581 1.2374 1.5121 3.9180 0.7353 0.7007 1.1686 0.8150 0.9590 0.8421 0.5958 1.2533 0.8324 7-hydroxywarfarin 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 1.2447 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 2.0043 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 1.4971 0.4816 0.4065 0.4690 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 1.0000 0.4065 1.0231 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.7329 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 7-methylguanine 1.1346 0.9587 1.0229 0.7523 0.9249 0.9948 0.8612 0.9660 0.9089 0.9448 1.0009 1.1297 0.7450 1.3993 1.0822 1.2173 1.0275 1.0191 0.9013 1.1349 0.8553 1.1123 1.1412 0.7929 0.8475 1.1744 1.1118 0.7799 1.7327 1.1295 1.0648 1.1445 0.8453 1.8036 1.1059 1.1831 0.8362 1.0366 1.1696 0.9843 0.6774 1.0085 0.9045 0.9289 1.7923 1.0215 0.8018 1.2111 1.0430 0.9518 0.9378 1.3479 0.9095 0.8753 0.7431 0.9433 1.0041 1.6582 0.9914 0.9340 1.1851 0.8221 0.9072 0.9991 1.3916 1.2111 0.8200 0.9185 1.2100 1.2510 1.1989 1.2232 1.0608 0.6522 0.9257 0.8701 1.0022 1.4363 0.9726 0.9462 0.8424 1.1014 0.9766 0.9924 0.7509 0.7517 0.7792 0.8772 0.7179 1.0396 1.2003 1.2846 0.9143 0.9542 0.8838 1.0301 1.0065 1.1915 0.9070 1.2100 1.4620 1.0460 1.0057 0.7920 1.2316 0.9975 7-methylurate 1.6125 3.5800 1.1883 0.2292 0.2403 1.3457 0.8774 0.2149 0.9091 3.1030 1.0786 0.7910 0.8969 1.8740 0.9495 3.3679 0.6669 0.8944 0.7942 0.8905 0.3927 0.5633 1.2140 1.7292 0.7029 1.6833 1.4518 1.3537 1.0561 1.7647 0.6246 0.3994 0.9087 0.7489 0.8125 0.5322 0.8300 1.9277 2.2981 0.1904 0.1904 0.5549 0.6966 0.5662 0.7034 1.1080 1.4003 1.8152 0.4737 1.1898 0.8476 0.5538 1.6163 0.6113 0.8413 0.4107 0.9640 1.5282 2.0397 0.2915 1.4615 1.5344 0.5268 0.3268 5.7134 2.3567 1.7371 1.2877 1.2047 1.0627 1.0000 2.4719 1.5265 0.4232 0.6419 1.4705 0.2192 3.4892 0.6541 1.1643 0.9725 0.5099 1.0399 1.5378 0.6329 0.8497 0.1904 0.4843 0.3837 2.1574 3.0562 1.1127 0.1904 1.6634 0.3570 0.5215 1.1181 1.2680 1.7577 0.8253 1.1317 0.4162 1.1287 1.1365 1.0329 1.5618 7-methylxanthine 0.7615 2.1197 1.1523 0.1712 0.4232 2.1623 0.5863 0.2324 0.5663 3.4812 1.6556 0.5351 0.8641 2.2859 0.7388 4.2818 2.4601 0.4403 0.7908 0.9350 0.4071 0.8029 1.2337 2.3677 0.8280 0.9910 0.9229 2.3499 0.2507 1.8770 0.7668 0.3047 0.7477 5.2131 1.6413 1.4558 0.9396 1.6062 1.7889 0.4631 0.1712 0.6206 0.7019 1.0248 1.4943 1.7050 2.3666 0.9831 0.8289 0.6242 1.5748 0.4258 1.2028 1.3969 0.6681 0.2732 1.5447 0.9376 2.3754 0.2694 2.1780 2.1031 0.6917 0.5552 7.2670 3.4644 1.7819 5.4734 0.5891 1.1280 1.4264 1.8231 0.9693 0.1712 0.7466 0.4995 0.5684 3.8289 0.3505 2.0701 1.0590 0.8047 0.8954 1.2779 0.8458 0.8073 0.2912 0.6755 0.4656 0.4871 3.2811 0.7587 0.5044 2.1982 1.2833 0.5410 2.0490 1.0710 5.6798 1.3558 1.4650 1.0116 1.2421 1.5502 1.0090 1.8007 8-methoxykynurenate 0.5406 0.3832 0.7209 0.3832 0.3832 0.3832 1.2175 0.5435 0.6005 0.3832 1.7880 0.7877 1.5098 0.3832 1.6178 0.6092 0.8058 0.3832 0.9821 0.3832 1.3210 0.4680 1.3831 0.5334 0.3832 1.2164 0.4675 1.3705 0.3832 1.2008 0.6100 0.3832 0.3832 1.5181 0.5568 0.3832 0.3832 0.7790 0.7449 1.6902 1.1806 0.3832 2.0452 0.3832 0.7210 0.3832 0.4883 5.2959 0.8512 0.9183 2.3320 1.3154 1.0179 1.8064 0.5788 1.6855 0.3832 1.7976 1.3120 0.7221 1.2825 0.9299 1.0786 1.4179 0.3832 0.4393 0.3832 2.2246 1.3000 1.6549 1.5120 0.3832 0.7987 0.3832 1.8027 0.3832 0.3832 1.2289 0.7316 0.3832 0.3832 1.5644 0.4823 1.1344 0.3983 0.4201 3.9008 0.8458 0.7810 0.5165 1.2387 0.9587 0.3832 0.3832 1.2361 0.3832 0.4120 1.0944 0.3832 0.7274 1.8229 0.3832 0.3832 0.3832 0.8065 0.6590 acesulfame 0.0092 1.8012 0.0092 0.0092 0.0092 0.0092 0.3592 0.2485 0.0092 0.0092 0.0092 2.8700 8.2002 0.0092 0.0092 0.0092 0.0092 0.0235 1.2541 0.0092 0.0092 0.0092 0.0092 0.0092 0.0092 0.0092 0.0092 0.0092 0.0092 0.0320 0.2899 0.0092 5.6120 0.0092 0.0092 0.0092 0.0092 8.8608 0.0092 1.2628 0.6700 0.0092 1.3303 0.0092 0.0092 0.0092 0.9526 0.0092 0.0523 0.0092 0.0092 0.3563 0.0092 4.4466 0.0092 0.0092 0.7458 0.0092 2.0371 0.0092 0.0092 0.7366 0.0092 0.0092 1.1983 0.0092 2.6049 16.8446 0.0092 0.0970 1.6115 0.4612 0.0792 0.0092 0.0092 0.0119 0.0092 0.0092 0.0092 0.0092 5.5712 0.0092 1.3597 1.0474 0.0092 0.0440 0.0158 0.0128 0.1539 5.6343 0.0092 0.0092 0.0092 0.0092 23.4334 0.0376 0.0092 0.0092 0.4092 4.0914 0.0092 1.1627 0.0092 0.0092 0.0092 2.1697 acetoacetate 0.5603 0.3205 0.3945 0.5944 4.5962 0.4608 0.6547 0.3205 0.6527 0.5951 0.5100 2.7498 2.0754 0.7005 1.3750 2.3520 1.5467 1.3168 0.5745 0.7169 1.0950 0.3205 1.1049 0.3575 0.8665 0.7298 0.3627 2.2325 1.0277 1.3267 1.4667 0.5786 0.7797 0.9170 0.7925 1.3704 1.1501 0.9723 1.9780 5.1090 1.4712 0.5044 0.5692 2.1238 2.0987 1.6221 0.9102 1.4730 0.9720 0.8190 1.6761 1.9590 0.6990 1.3175 1.2057 1.4996 0.6268 1.1088 0.8282 0.7358 0.8512 0.9616 2.9139 2.4227 0.7287 1.7273 0.9251 0.5634 0.7906 0.8797 1.1658 0.4644 1.1557 0.3205 1.3955 0.3205 2.2753 4.3296 3.1543 0.6348 0.6035 5.8762 0.5599 0.9203 1.5338 2.1842 2.4734 3.7328 0.8292 0.9693 1.8868 1.2840 1.8219 1.4678 0.4505 1.3927 0.7824 1.2043 0.3205 0.7253 5.9023 0.7632 0.5814 4.7734 0.3205 0.5706 acetylcarnitine (C2) 1.1688 0.6153 0.9839 0.4114 1.7128 0.6177 0.5560 0.5984 0.6272 0.2422 0.6360 1.6271 1.5342 0.9813 1.6416 1.0589 0.6750 0.4373 1.1942 0.8762 0.5693 0.6481 0.9920 0.8437 1.1041 0.7911 0.4505 1.1137 1.1322 1.2079 1.1837 1.3337 0.8463 0.8862 0.5932 0.6276 1.0434 1.1941 0.9531 1.0080 1.3525 0.9391 0.8000 1.2475 1.3818 1.0379 0.1057 1.4097 0.8631 0.9378 0.7477 2.3596 0.6969 0.3796 0.7125 0.6679 0.4882 1.3238 0.7802 1.1050 0.9299 1.1271 0.9058 0.6949 0.9181 1.0194 1.2407 2.1529 1.3351 1.4296 1.2193 0.9325 1.8820 1.0664 0.9281 0.8402 1.5005 1.6810 1.4877 0.8010 0.5267 1.8094 1.2253 1.5083 0.7825 1.1387 0.9326 1.7350 1.1568 1.1745 1.9466 0.9290 1.2365 1.8619 0.8773 0.8112 1.0277 1.4093 0.4811 0.5582 1.8303 1.3071 1.0138 0.9617 1.5156 1.1256 acisoga 1.0799 2.3662 0.5549 1.0946 0.4566 0.9745 0.5561 1.5336 0.2951 1.0855 1.2688 0.6104 0.6496 0.2485 1.0287 2.5424 2.0824 0.4159 1.3181 1.4599 1.0127 0.2828 0.9961 0.9169 0.5254 0.8620 0.2566 0.7602 1.2090 1.4844 0.5759 0.4839 1.2414 3.6366 0.8831 0.8031 1.0421 1.2133 1.5436 1.3892 0.8016 0.2485 0.6457 1.0699 0.6569 1.2048 0.7359 1.0931 0.9521 0.9371 0.9990 0.6119 1.0212 0.8603 1.6725 0.8241 1.2837 1.0010 1.6579 1.4595 0.6720 1.5577 0.4770 1.0365 0.7303 0.7507 1.8550 2.8440 1.2107 1.7234 2.4896 1.7787 1.7915 0.5199 1.2335 1.0414 0.2485 1.1481 1.0429 0.9839 0.3144 0.9344 0.8860 1.8512 0.7212 0.7534 0.5695 0.9436 1.4061 1.3534 1.0245 1.2918 1.6368 1.4562 1.0098 0.5974 0.6953 0.8567 0.8682 0.6351 0.6282 0.5374 1.0488 0.6767 1.0797 0.8276 aconitate [cis or trans] 1.0957 1.0510 1.2295 0.7553 1.1178 1.1626 0.8821 0.8867 0.8407 0.9454 1.1364 0.8751 1.2635 1.1522 1.3993 1.1407 1.0113 0.9615 1.0094 1.1481 0.8874 0.9473 0.9889 1.1881 1.0367 0.8673 0.9273 0.6970 1.0750 1.1329 0.9891 0.9485 1.2683 1.2875 1.1315 1.2634 0.9183 0.9726 1.2467 1.0040 0.6853 1.1311 0.9176 0.9856 1.3944 1.1236 0.9358 0.9336 0.8499 1.0855 0.7168 1.4207 0.7664 1.0744 1.2384 0.9027 0.8816 1.4418 1.4995 1.2254 0.9008 1.0790 0.8488 0.7026 1.2332 0.8467 0.8770 1.4609 1.2522 0.9209 1.3044 1.0498 1.3997 0.8412 1.0756 1.2113 1.0238 1.3312 1.1673 0.8121 0.8373 0.9585 0.9397 1.0042 0.8808 1.0158 0.8271 1.1547 0.6489 1.4013 1.1441 0.9153 0.8765 0.9393 0.8701 0.9960 0.9301 1.0331 0.6109 0.7456 0.8341 0.8122 1.0309 0.7919 1.2351 0.8861 adenine 1.2952 0.3301 1.1364 1.4340 1.6127 0.8258 0.6054 1.2693 0.6791 2.2192 1.3336 1.6675 1.7003 0.6512 1.5764 1.1960 0.9418 1.3141 1.8099 0.9202 1.3296 1.7058 1.5339 1.4431 1.4795 1.6239 1.0113 1.0925 1.0175 0.7913 1.2290 2.1474 1.3869 1.1026 0.6084 1.3168 1.1154 0.5383 1.5915 1.8771 0.4938 1.2572 1.5360 1.0366 0.7399 1.3479 1.4386 1.1963 0.7622 0.7930 0.6427 2.6108 0.8013 0.4051 1.4180 1.2042 0.4080 0.5653 1.2134 1.5715 0.6397 1.2697 0.6573 0.5983 1.3185 1.1442 1.2939 1.4119 0.6887 1.6544 0.6223 0.4262 0.8159 0.9699 0.8824 0.9754 0.6047 0.9887 1.5435 0.9008 0.5003 0.3364 1.2116 0.9280 1.1082 0.7500 0.7956 0.7878 0.3470 1.2092 0.7458 0.6130 0.6688 0.9570 0.8424 0.5774 0.4380 0.4258 1.0906 1.0473 0.3731 0.7445 0.7662 0.6263 0.9583 0.4970 adenosine 0.3221 0.3221 1.7953 0.7676 0.8151 0.9546 1.0292 0.3221 1.2655 1.1378 0.3221 1.4201 1.6988 1.2273 1.1481 1.7178 0.8311 1.2822 0.3221 0.9413 0.9307 0.3221 0.8912 0.5682 1.0535 1.4284 0.6400 0.3221 1.9066 1.4197 1.0000 1.6521 0.4157 0.8098 0.3221 1.3027 1.2271 1.1832 0.3221 0.3221 0.5740 1.7313 0.8960 0.8159 1.1721 0.3221 0.7809 0.3221 0.5246 0.3221 0.6364 0.9469 1.0261 1.0115 1.2191 0.7555 0.5431 0.7262 0.3221 1.1136 0.7304 0.3221 0.8207 0.3221 0.3221 0.3221 1.4376 0.8495 0.6635 0.3221 1.1207 0.3221 1.4818 0.3221 0.3221 0.8778 0.3221 0.8005 1.0686 1.4819 0.3221 1.2894 0.3221 1.2005 0.3221 0.3221 0.6704 1.1266 0.3221 0.4582 1.6780 1.0063 1.0993 0.3221 0.9082 0.6830 0.3221 0.6696 0.3221 0.3221 0.3221 1.4354 0.8646 0.8062 0.3221 0.6620 adenosine 5'-diphosphoribose (ADP-ribose) 2.1738 0.2754 0.2754 0.8895 0.2754 0.2754 1.7196 0.7051 0.2754 0.8284 0.2754 1.5995 0.6242 3.2352 0.7558 3.1940 0.9306 0.2754 1.1769 1.0022 1.4469 1.0135 0.8167 0.9915 0.8656 1.2228 1.0625 0.2754 1.5279 0.5453 0.2754 1.7064 0.4332 0.2754 0.6466 1.0523 0.8601 2.5833 0.2754 0.9981 0.2754 0.9395 1.7501 0.2754 0.2754 0.2754 0.2754 0.2754 1.3280 0.2754 0.5593 0.7385 0.5264 1.0082 0.6991 0.5340 0.6724 0.6513 0.2754 0.2754 1.5117 0.2754 0.4866 0.4489 1.0472 0.6887 0.6956 3.1132 2.4098 0.2754 0.2754 0.5195 1.6050 0.6771 0.9792 1.7444 0.4267 0.5848 1.0221 1.6625 0.9879 2.1393 0.8700 1.4765 1.9562 0.2754 2.5916 0.8251 2.4998 1.4896 0.7623 0.9856 2.1540 1.4513 1.5206 0.6402 0.5365 2.2052 1.5080 0.2754 0.8403 1.5780 1.0019 1.2130 0.7345 2.3784 adenosine 5'-monophosphate (AMP) 1.0773 0.5794 0.3415 1.0361 0.7521 0.8023 1.1413 0.8347 0.9646 0.9456 0.5137 1.2298 1.1410 2.7019 0.9061 1.7002 0.6914 0.4620 1.0680 0.9123 1.1789 1.2946 0.7136 1.0859 0.9011 1.4130 0.7683 0.5433 1.4301 1.5647 0.5105 1.2683 0.9984 1.1250 0.7004 1.5670 0.9867 1.8535 0.5398 0.7353 0.5756 1.0391 1.2889 0.5319 1.4638 0.6444 1.2080 0.3821 1.2493 0.7530 1.0108 1.1238 0.7806 1.3170 1.0494 0.8226 1.1348 0.8869 1.0847 0.8979 1.1281 0.5072 1.4923 0.7451 0.9075 0.6725 0.6912 1.8821 1.1776 0.6139 0.6375 0.7187 1.3182 0.6990 0.9026 1.4014 0.5297 0.6697 1.2432 1.2247 0.7412 1.2503 0.9131 1.5900 1.1243 0.8307 1.7112 1.4398 1.5859 1.0304 0.9262 1.0088 1.0257 0.8704 1.2816 0.8917 0.7637 0.8169 0.9336 0.5824 1.2752 1.0016 1.1782 1.4147 1.2564 1.4296 adipoylcarnitine (C6-DC) 0.9831 2.1329 0.9932 0.3934 0.2334 0.7869 0.3401 0.3663 0.6914 0.2120 0.9517 0.6574 2.7610 2.4916 0.8106 2.0241 1.3332 0.5418 1.0776 0.9648 0.7429 1.4856 0.4085 0.5333 0.9073 0.6853 0.6294 0.5111 1.7659 1.1335 0.7818 0.6745 0.8129 3.2106 1.3437 0.7802 0.5206 1.7623 1.3731 0.5051 0.3868 0.9242 0.4203 1.7092 1.8748 0.9724 0.3015 1.0881 1.1798 0.9956 0.6798 0.5856 1.2002 0.7313 1.0000 0.6758 1.1843 1.6775 1.9657 0.7741 1.9051 1.0975 2.3274 0.7186 0.9532 1.7301 0.8750 1.7117 2.4199 1.0500 3.4440 1.3628 4.7535 2.0830 0.6501 1.6007 0.2120 2.4356 2.0308 2.0165 2.0956 1.3146 0.6776 1.4481 0.3976 0.8913 1.1282 1.4092 0.9730 1.4920 2.6105 1.3758 1.1406 1.1974 1.0719 0.8201 1.5917 1.0882 0.4066 0.6596 2.3734 0.4103 0.8734 1.3153 2.4646 0.6497 adrenate (22:4n6) 1.0717 0.8105 0.3918 0.4537 4.2835 0.7851 1.1193 0.3023 0.8981 0.4204 0.8904 1.7216 0.8393 0.7072 3.1114 0.9727 1.2342 0.5421 0.6894 0.5643 0.8175 0.5660 2.3428 0.5485 0.7103 0.5425 0.7466 0.5489 1.4483 2.5962 1.8329 0.8056 0.5215 0.6339 0.7429 0.9954 0.9043 0.6240 0.9169 1.6489 1.2903 0.6510 0.7252 2.1587 4.1740 1.2532 0.7858 0.4550 0.9666 0.6883 1.5736 4.4204 0.7490 2.5856 0.5671 0.8421 2.2539 0.7337 0.7998 2.0318 0.6315 1.3850 3.1930 2.1334 0.8340 0.8319 1.9096 1.2342 1.1698 1.9796 2.9628 4.4208 2.5590 0.9380 3.1764 3.5362 2.3358 2.1460 2.5133 1.1412 0.7667 4.1352 1.2575 2.2436 1.0046 0.6691 2.4370 3.5480 7.4093 4.2355 2.2708 1.2095 2.3869 1.5125 0.7044 1.9233 2.3729 0.5316 0.5851 0.8637 2.1419 2.4636 0.7059 1.0997 0.5406 0.5543 alanine 0.8955 1.4007 1.0485 1.1235 0.9747 1.0561 0.7767 0.8734 1.0496 1.0547 1.2830 0.6143 1.3151 1.8723 1.0416 0.8478 0.6573 0.7193 0.9567 0.9203 1.3110 1.0999 1.0428 1.3906 1.4927 0.8384 0.9399 0.6472 0.8256 0.9118 0.8448 1.0293 1.3550 1.1039 1.0836 1.7414 0.8229 0.7673 0.9545 0.6836 0.5724 1.2169 1.2133 0.9742 1.2912 1.5908 1.3212 0.6197 0.8420 0.8120 1.1523 1.1495 0.9062 1.3118 1.5157 0.8849 1.1388 1.0923 1.4867 1.9052 0.7398 1.1248 0.9365 1.1869 0.9639 0.8776 1.4561 1.4620 1.0011 1.0171 1.5273 1.0813 1.6902 0.6031 0.9989 2.1618 0.5420 0.8694 0.8201 0.8739 1.1774 0.9512 1.0809 0.9617 0.8057 0.5295 0.8989 0.8397 1.1656 1.3147 1.0691 1.0264 0.9003 0.8100 1.5609 1.1068 1.2613 0.6655 0.9260 1.0901 0.7444 0.8226 0.8275 0.7551 0.8313 0.9066 allantoin 1.2732 1.4706 0.8879 1.0513 0.9975 1.1705 1.1252 1.1373 1.0025 0.8187 1.1252 1.0672 1.1717 0.8919 1.0889 0.9542 0.8316 1.1505 1.0370 1.0551 1.0608 0.8614 0.8016 1.0064 0.8777 0.9106 1.1715 0.8989 0.9273 0.7235 0.8579 1.1720 0.9897 1.1430 0.7423 0.6470 1.0133 0.9060 1.1900 0.6894 0.8292 1.1051 1.1409 0.6935 0.9379 1.0088 0.9781 0.9218 0.9463 1.1139 0.9151 1.0145 1.0702 1.0445 1.0735 0.9109 0.6921 1.0639 0.7425 1.2319 0.9706 0.9477 0.7977 0.8964 1.0388 1.1016 1.1310 0.9504 1.1948 1.0726 1.1978 1.0144 1.2022 0.6617 0.8423 1.0675 0.7390 1.2370 1.0901 0.9140 0.8973 1.0540 1.0475 1.1034 0.6946 0.7273 1.0108 0.7084 0.8429 1.1865 0.8087 1.0732 0.9203 0.8994 1.0100 0.9479 0.9409 0.8038 1.0522 1.0983 1.1289 0.7853 0.9397 0.8948 1.0588 0.9713 allopurinol 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 1.3747 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 0.6253 allopurinol riboside 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 1.4837 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 0.5163 alpha-hydroxycaproate 0.7219 0.4392 0.8513 1.0000 0.4392 0.8825 0.4392 0.4392 1.2117 0.6567 0.4392 0.4392 1.1141 4.0748 0.7890 1.3296 0.4392 0.4392 0.4392 1.1378 0.4392 1.2262 0.9362 0.4392 0.8913 0.4392 0.4392 0.4392 0.4392 1.0516 0.4392 0.7935 0.8308 0.4392 1.3263 2.1090 1.3509 0.9597 1.6601 0.4392 0.4392 0.7544 0.4392 0.7114 1.2587 0.4392 0.4392 0.4392 0.8755 0.5110 0.7949 8.2299 0.5456 0.9243 1.7975 0.4392 1.4554 0.9159 0.7630 1.0070 0.7650 1.1744 0.4392 1.1730 1.1598 0.4392 1.2831 1.4949 0.7263 1.0610 2.5848 0.4392 1.8793 0.4392 0.4392 0.7980 1.5475 1.0831 0.6965 0.8983 0.9248 1.0766 0.4392 0.4392 0.8089 0.8567 1.1038 1.7058 0.7540 1.5158 0.9022 3.2944 0.4392 1.3540 1.2126 0.7002 2.1245 1.2464 0.4392 0.4392 0.7296 0.9532 0.7208 0.4392 0.4392 0.8092 alpha-hydroxyisocaproate 1.3629 0.6216 1.2077 0.7022 1.3173 0.6647 0.7316 0.8122 0.9120 0.4651 0.8508 0.8143 2.2057 0.4749 0.5123 1.2218 0.4611 0.8636 1.0063 1.7029 0.6342 1.0795 0.9750 0.9014 1.0691 0.7332 0.9974 1.3844 0.6696 0.9794 0.6002 1.4854 1.3058 0.5822 1.7246 2.1357 0.8181 0.6412 1.2262 1.2733 0.5391 1.1242 1.2576 1.2882 0.9183 1.2910 0.8175 0.5102 1.0002 1.0549 1.1859 2.9042 0.7569 1.1250 0.6216 0.7525 0.4466 1.4653 1.1656 1.6836 1.6024 1.3635 1.0889 0.9998 0.7937 0.9240 1.2350 1.1215 0.7142 1.2412 2.6836 0.9425 0.6583 0.6806 1.3546 1.3295 1.1440 1.3443 1.1673 0.3908 0.6169 1.2130 0.6372 0.8906 1.1766 0.8837 1.8701 1.4489 0.7726 0.8391 1.1680 1.1331 1.1335 1.0613 1.7554 0.5785 0.9636 1.3898 0.8912 1.6865 0.5950 0.8323 1.1566 0.5828 0.9488 1.0405 alpha-hydroxyisovalerate 0.8653 0.4880 0.5562 1.2410 3.3672 0.7069 0.6842 1.2994 0.9797 0.2471 1.8609 0.5593 1.2784 0.4875 0.6894 0.9835 0.3886 0.7270 0.6980 1.3533 0.7290 0.9816 0.5588 1.0085 1.8831 1.2028 0.5190 1.0427 0.4028 1.0248 0.4688 1.1352 1.4292 0.9988 2.3395 4.1420 0.6621 0.7576 1.9985 0.6714 0.6233 2.2573 1.0232 2.0144 2.6565 2.4914 0.8767 0.9782 0.7200 1.0699 0.9141 12.0225 0.3465 1.1495 0.9657 0.7231 1.0984 2.4111 1.0366 2.1056 1.1031 0.7007 1.1914 1.3620 1.0129 1.1032 1.2497 1.0093 0.6750 2.6507 6.2073 0.5810 1.0547 0.7168 1.2662 0.6763 2.6857 0.9843 1.5955 0.3605 0.5971 2.7211 0.3743 1.0012 0.9331 0.7253 6.6553 5.1801 0.9016 1.0631 2.6943 0.9137 0.8361 1.3347 2.1567 0.5449 0.8782 1.2587 1.3274 1.5862 0.7237 1.0571 0.9663 0.5815 0.9188 0.6512 alpha-ketobutyrate 1.0136 1.3598 0.9987 0.5450 1.6920 0.8676 0.8435 0.4160 1.0092 0.3091 1.0724 0.6780 1.8390 0.4904 1.3149 0.5419 0.6338 0.6919 1.1165 0.9355 0.8611 0.4144 0.9761 0.9704 1.0577 0.8038 0.4885 1.3664 0.5222 0.8443 1.2149 1.0744 1.0976 0.3059 1.2936 0.4583 1.1448 0.7994 0.8898 2.0023 0.8595 1.2641 0.8658 1.7260 1.0237 1.6130 1.6295 0.5263 0.5636 0.8213 1.1623 1.7853 0.8972 0.8749 0.9217 1.0461 0.5139 1.8008 0.7484 1.0013 1.4351 1.3483 1.8890 0.9699 0.8794 1.5600 0.8695 0.9074 0.9925 1.1357 2.4283 0.5869 0.8664 1.5019 1.5818 0.7295 2.0716 1.6531 1.4893 0.4451 0.6079 1.3881 1.3239 2.6684 2.1847 1.1646 2.9785 0.9909 1.1953 1.2595 1.0469 1.3316 1.8968 1.4757 1.3200 0.9834 0.7451 1.1972 0.3903 0.6617 1.2651 0.7647 0.8627 1.1643 0.9523 0.5375 alpha-ketoglutaramate* 1.3619 2.0913 1.0642 1.3848 0.7522 0.6757 0.7953 0.7185 0.8316 1.0312 1.0221 0.8015 1.8730 1.0411 1.0855 1.2207 0.8546 1.1624 1.0822 1.0542 0.8172 0.8575 0.9944 1.0600 0.8228 1.2169 1.0340 1.1283 2.4132 0.7011 0.8515 1.2353 0.8733 1.3385 0.8642 0.6187 1.0759 0.7690 1.2314 0.8015 0.6135 1.0690 1.0584 0.8141 1.1051 1.0777 0.8224 1.1455 0.7548 1.1224 1.5895 1.5049 0.7259 0.7058 0.9556 1.0101 0.4394 1.0056 1.3963 1.2384 0.9630 0.8900 0.6957 0.7962 0.9160 1.1677 0.9351 1.2709 0.9119 1.1513 1.0996 1.4051 1.3638 0.4587 0.8272 1.3682 0.5387 1.4951 1.6066 0.9462 0.8398 0.8511 1.1806 1.2867 0.8223 0.5752 0.8968 0.5102 0.6715 1.0380 1.1176 1.0829 0.8013 0.7186 0.9296 0.8812 1.0396 0.8843 0.8081 1.4973 1.0338 0.8885 1.1330 0.9635 1.7999 0.8914 alpha-ketoglutarate 1.3088 1.0041 0.8939 0.6499 1.3294 0.7676 0.5517 0.7639 0.5840 0.8435 0.9244 0.7794 1.2797 1.1924 1.7486 0.7673 0.8812 1.0419 1.0244 1.1132 0.6504 0.9318 0.9959 1.4293 1.3183 1.0781 0.6781 0.7250 1.5292 0.9348 1.0521 1.2834 1.1650 0.7723 0.8882 1.8074 1.0406 0.7606 1.1617 0.8643 0.6285 1.0158 1.0409 1.0287 1.6965 1.4451 1.0443 0.7414 0.6211 0.7889 0.7797 2.7554 0.4634 0.5997 1.4480 0.6759 0.6062 1.5425 1.4686 1.5955 0.8334 1.2487 1.0345 0.5419 0.9020 0.6934 1.3592 1.2113 0.9026 1.1903 1.3641 0.9690 1.5059 0.9321 1.3324 1.2711 1.6762 1.0194 0.9901 1.1886 0.7202 0.9291 1.2432 1.0615 0.9955 0.9664 0.7242 1.1178 0.6965 1.8456 1.4542 1.0499 1.3164 1.0746 1.0194 1.0259 0.7939 0.5679 0.6294 0.8588 0.5720 0.9266 0.9508 0.7194 1.0817 0.5547 alpha-tocopherol 0.9335 1.1517 0.8768 1.1974 1.2634 1.0690 1.2367 0.7584 1.2447 1.1591 0.8996 1.2146 1.1736 0.6997 1.0073 0.9146 1.1022 0.9813 0.7217 1.1935 1.0120 0.8035 0.9709 0.9494 0.7267 1.0186 0.9211 0.7677 0.9728 0.9886 1.2404 1.1000 0.9686 0.8074 0.9927 0.7093 1.2245 1.3476 0.9441 0.9844 1.3778 0.7553 1.1218 0.8835 0.9245 0.8906 0.8066 1.3273 0.7698 0.8151 1.1722 0.7262 1.2572 1.2026 1.0246 0.8094 0.6563 1.3108 0.9463 1.0916 0.9110 0.7986 1.1403 0.8857 1.0799 1.1324 0.8814 1.0493 1.1986 0.8423 0.9641 2.0505 1.5187 1.6505 1.0626 1.5004 0.9701 1.2221 0.8814 0.9897 0.7770 1.1911 1.0711 1.3429 0.8716 0.9901 1.0300 0.8265 0.9147 1.3157 0.6836 0.8280 0.8929 1.0864 0.8961 0.7142 1.3169 1.8022 0.9519 1.4007 1.5027 1.1288 1.4626 1.1901 1.0098 1.6144 andro steroid monosulfate C19H28O6S (1)* 0.8954 4.8497 2.6236 0.1697 1.9017 0.2481 0.6717 0.8256 0.6054 1.0535 0.1697 3.4347 0.5061 1.6294 0.6295 1.2033 1.5002 0.1697 0.9427 0.1697 0.6861 5.0668 4.8392 0.4528 1.5978 1.2513 4.5718 0.3632 0.2696 1.4191 0.3571 0.2578 2.3759 0.2506 0.6583 0.6018 0.3258 1.4169 1.9456 1.1447 0.1697 0.2217 0.8335 1.6886 3.0515 0.1697 1.9911 0.1697 6.7696 2.4494 0.6812 0.1697 0.1697 0.1974 1.3554 1.0000 2.4992 3.3871 1.3260 0.4158 1.0925 0.8411 2.9314 1.1696 0.1697 0.4212 0.3677 0.1697 2.6926 1.2528 0.4349 0.1697 3.3015 0.1697 0.6711 0.3255 0.1697 0.4195 0.4586 1.9171 0.4814 1.0897 0.3152 1.0017 1.0375 0.9179 3.0333 0.7186 0.4421 0.1697 1.4361 1.7366 1.0439 1.3455 0.5003 0.6517 1.6455 0.5723 1.1366 0.1697 0.3510 0.5348 0.3098 0.2202 0.6132 1.8918 androstenediol (3alpha, 17alpha) monosulfate (2) 1.1345 1.5129 0.3759 0.2770 2.1967 0.6467 0.9489 1.0455 0.4650 0.5674 0.6562 1.6024 1.2599 0.5627 2.0637 1.1052 0.7033 0.2770 0.9424 0.7766 0.9283 1.7763 0.9199 0.6429 1.0339 2.5114 0.6911 0.6785 0.2770 1.3561 0.7766 0.5656 1.1510 0.4166 1.4483 0.9834 1.1709 1.0134 1.7947 0.5937 0.2770 0.6666 0.9549 0.4109 1.1908 0.2770 2.5334 0.2770 1.0359 1.4539 1.1074 1.6302 0.2770 0.4894 0.9271 2.0489 0.5402 0.8518 1.2142 1.2454 1.2750 4.0824 0.9889 2.7589 0.4549 1.1251 0.4655 0.2770 1.5815 1.3340 0.8498 0.5476 1.2726 0.2770 1.1204 0.9315 0.9704 0.3997 0.7652 1.4622 1.3325 1.0000 0.4182 0.9507 1.6502 0.7123 1.3353 0.8555 0.9276 0.2770 1.9586 1.8384 1.6504 2.4057 1.7518 0.8259 0.8975 0.7316 1.7906 0.9821 1.0905 1.5208 0.6282 0.5326 1.1966 2.5322 androstenediol (3alpha, 17alpha) monosulfate (3) 0.8015 0.8846 0.3863 0.5179 4.8101 1.3434 1.1564 0.2892 1.2907 1.5452 1.6016 1.6584 1.3578 0.2296 1.0952 3.1816 0.6357 0.5403 1.5390 0.6970 2.8130 0.5961 0.2219 0.7387 0.2413 1.1521 1.6377 0.9118 0.3160 0.6368 0.5996 1.0865 0.9220 1.0052 1.4370 2.7706 0.8038 0.7562 1.0244 0.8471 0.5144 1.0761 1.2756 2.2312 0.5828 1.2028 3.8344 0.3438 0.3423 0.7320 2.6833 1.6336 0.1739 0.7757 0.5654 1.4557 0.3819 0.9948 0.4242 1.3048 1.7752 1.1555 1.3749 1.5790 0.3243 0.4731 0.1578 0.2354 0.3374 1.2838 3.3809 0.2719 1.7143 0.8975 0.6170 0.2133 1.1961 0.8699 1.2923 0.7361 2.2553 2.5287 0.7403 1.4368 1.3360 0.4507 1.8633 2.0880 0.4969 0.1576 0.9113 1.9395 2.7937 1.6266 0.9713 0.5746 0.7462 1.1463 1.6249 0.9400 1.4339 3.5493 2.2008 0.5259 1.6813 1.6221 androstenediol (3beta,17beta) disulfate (1) 0.6917 1.7703 0.8450 0.3993 10.7719 0.5574 1.1068 0.3788 1.7415 1.1351 1.4420 1.4855 1.6521 0.1778 0.3135 3.4082 0.8335 0.2445 1.4187 0.7054 2.2115 1.6943 0.7727 0.3855 1.5233 0.9275 3.9276 0.8368 0.2438 0.7750 0.4097 0.8837 1.6046 0.5497 1.0979 2.3780 0.5006 1.0210 1.3237 0.8072 0.2130 0.3801 0.9790 5.1189 2.5870 1.5913 3.0029 0.8327 1.7207 0.8095 2.5824 3.2201 0.0953 0.4073 1.1721 0.6869 0.4063 2.3278 0.2937 1.2665 2.1714 1.1452 2.7907 1.3381 0.1708 0.5356 0.1603 0.1296 0.6576 4.0872 1.7050 0.1252 4.8412 0.7285 0.6072 0.3866 3.0430 0.6099 0.3820 0.4720 1.3842 5.1761 0.4526 1.7817 1.3549 0.4320 14.9022 10.8326 0.8559 0.1715 2.3158 1.1269 1.5575 0.6841 0.7793 0.3959 1.8041 1.2685 2.3029 0.4957 1.1322 3.7567 1.3145 0.7246 0.8817 1.0217 androstenediol (3beta,17beta) disulfate (2) 1.1342 1.7732 0.7912 0.2089 2.0662 0.4907 0.9156 0.8865 0.8711 1.0524 1.1840 1.4043 1.6057 0.5518 0.8075 2.4481 0.9839 0.2397 1.5584 0.7899 1.5146 2.1607 1.3146 0.6208 1.4000 1.1104 2.2301 0.9426 0.1979 0.5248 0.3311 0.7770 1.5874 0.4558 0.6668 1.3556 0.4873 1.2871 1.9685 0.9494 0.2356 0.7079 0.9670 0.8561 1.0716 0.6047 2.0393 0.3618 2.2382 1.4550 1.5439 1.0827 0.0757 0.4491 0.9310 1.1715 0.6367 3.1542 0.6123 0.8465 1.4045 1.1559 1.9514 1.7197 0.2732 0.5174 0.2132 0.1015 1.1859 1.9098 1.1722 0.1125 2.4810 0.0944 1.0282 0.4399 1.2533 0.6464 0.7831 0.9400 1.0161 1.5426 0.3741 1.6599 1.5907 0.4087 2.9435 1.8700 0.5682 0.0958 1.7119 1.3348 1.7497 0.9182 1.4976 0.6525 0.7597 1.2160 1.5284 0.7394 1.4340 1.6939 0.9283 0.5124 1.1738 1.4186 androstenediol (3beta,17beta) monosulfate (1) 1.0382 2.0679 0.7077 0.0915 4.8016 0.3942 1.2313 0.2815 1.1798 0.4578 1.3596 1.2879 1.6928 0.1011 0.9320 3.5506 0.5750 0.2529 1.3171 0.6017 1.4358 1.1203 0.6533 0.5611 1.3405 1.5913 2.7796 0.6003 0.5779 3.0006 1.1411 0.3576 1.5504 0.4463 2.0865 0.7634 1.8053 0.8506 1.1869 0.3805 0.3093 0.3201 1.0014 1.2605 2.0826 0.6537 5.1695 0.2786 0.7205 1.2069 2.0607 3.4743 0.1752 0.6329 1.4703 0.6330 0.4808 0.9294 0.3628 1.3611 1.5087 2.6125 0.8946 2.0564 0.2503 1.1322 0.1814 0.4030 0.5333 2.3856 1.3044 0.5176 2.2206 0.4112 0.9622 0.5041 1.1671 0.4195 0.3728 0.8202 1.4832 3.4917 0.7352 1.7419 1.3101 0.5419 3.2712 2.6478 1.4181 0.2782 1.3819 0.9986 1.0133 1.3299 0.4896 0.5516 1.5976 0.8098 2.8307 0.4225 0.7548 2.6344 0.7310 1.3130 0.4422 1.6391 androstenediol (3beta,17beta) monosulfate (2) 0.8009 1.7075 0.5107 0.2548 2.7893 0.2680 1.8409 0.4857 1.0815 1.0116 0.9699 1.1287 1.0751 0.1186 0.6564 1.7796 0.4077 0.2016 0.9761 0.7477 1.6910 1.2979 0.7935 0.8837 0.7463 0.8676 1.9140 0.8050 0.2845 1.6735 1.0225 0.7158 0.9394 0.6783 0.9962 2.1490 0.8484 0.8708 1.2568 0.6471 0.3370 0.4420 0.8682 2.4038 1.2209 1.0470 1.4970 0.6351 1.2680 1.2924 1.7413 2.0966 0.1231 0.8236 1.7642 0.6938 0.8757 0.5342 0.2633 1.8799 2.1962 1.2350 2.2472 2.5126 0.5154 0.8994 0.1732 0.1504 1.9758 3.1364 0.8628 0.2849 5.3202 0.1588 1.1154 1.0086 2.3381 0.7287 0.4067 1.4222 1.2920 2.7417 1.0516 2.4517 0.7370 0.8227 10.4072 5.3433 1.2397 0.3325 2.6824 1.4901 1.7920 0.7329 1.0038 0.5112 1.9007 0.9276 2.3238 0.5659 0.8009 3.8507 0.9958 1.2877 1.1316 1.7429 androsterone glucuronide 1.4185 3.0932 0.7060 0.3419 0.5707 0.8864 0.7248 0.9619 1.1630 0.7116 3.5088 1.6052 1.2185 0.5443 0.0644 1.3930 0.7238 0.0644 1.0965 1.0000 1.2895 0.8820 0.4751 0.8608 0.0644 3.8018 1.5939 0.7147 1.1587 0.9327 0.4847 0.6422 1.5640 2.2919 0.9770 1.0309 0.5744 1.2390 2.2276 0.6020 0.0644 1.1809 0.3228 0.7554 1.3264 1.2603 1.1737 0.0644 0.8590 1.7763 0.9403 0.9146 0.7209 1.2275 1.3971 1.1102 0.5353 1.3620 0.5605 1.4088 1.3100 2.5363 0.6656 2.9215 0.4800 1.7446 0.2460 0.7930 3.2748 2.8635 1.1087 0.4880 0.8165 0.0644 0.9473 0.7997 2.4128 1.0065 2.0940 5.5841 0.9996 0.9470 0.7973 3.0282 0.9026 0.7203 3.0847 0.7789 1.6694 0.3594 0.6217 2.0675 1.3080 0.9301 1.2438 0.5384 1.0097 1.1043 3.9618 0.7741 0.8858 3.5281 0.6750 0.6188 1.5181 2.9995 androsterone sulfate 2.0573 1.1561 0.1847 0.5363 2.1651 1.1983 2.7554 0.1063 1.8027 1.8061 1.5903 1.1290 1.2308 0.1191 0.9710 3.1656 0.1797 0.3285 1.3158 0.7133 2.9292 0.3040 0.0830 2.0255 0.1067 1.4724 1.6142 0.6190 0.5045 0.9388 0.8671 1.2532 0.6160 1.3695 1.4304 1.4755 1.2881 1.1818 2.2409 0.4668 0.5394 1.6198 0.7153 2.1379 0.2031 1.5606 3.9318 0.3244 0.2038 0.5773 3.2656 1.3329 0.3295 0.8872 0.9389 0.9379 0.4005 0.4479 0.2035 3.0741 1.4846 1.1476 0.6163 2.0498 0.5805 0.8939 0.1063 0.5666 0.2935 1.2789 1.7876 0.1924 1.0623 0.3167 0.5642 0.3624 1.0290 1.3265 0.9570 0.9103 1.6507 2.2226 1.2906 2.9540 0.7403 0.6185 4.1009 2.2715 0.4861 0.3318 0.4926 2.9434 2.2377 1.8958 0.6905 0.5982 0.6431 2.0269 1.8151 0.9228 0.8105 3.9539 2.3981 0.8285 1.4880 2.0616 anthranilate 1.3190 0.8541 0.9575 0.4366 0.9570 0.9330 1.0673 1.3122 1.0351 1.4545 0.7642 0.7501 1.6250 1.0479 0.7060 1.9209 1.5038 1.4961 0.9244 1.1354 0.5866 1.2128 0.9319 0.6261 1.0584 1.5275 0.7001 1.5181 1.2494 1.2468 2.3437 1.0148 1.6017 1.4155 0.4366 1.1636 0.4366 1.0000 1.3132 0.4366 1.3522 0.8261 1.0936 0.5812 0.9483 0.4366 1.4833 1.3588 0.9764 1.4868 0.9575 0.8952 1.7651 2.1239 0.9190 0.7405 1.1129 1.3624 1.0982 1.3068 0.4366 0.4366 1.2899 0.4366 0.9608 0.8978 0.7904 0.8591 2.0689 0.5968 0.9978 1.3948 1.1572 0.5615 0.5416 0.9223 0.7930 0.7449 2.2085 0.4366 0.9989 0.4366 0.7225 0.6606 0.5787 1.1501 0.8647 0.4366 0.4366 1.1952 1.2401 1.0886 0.7102 0.9011 0.6842 0.9061 1.1987 0.9910 0.5232 0.4366 0.4366 0.8722 0.6492 0.6935 1.3374 1.0194 arabinose 1.7118 1.5119 1.2800 1.7708 0.1657 0.6802 0.7524 0.9314 0.8582 2.0157 0.1657 1.0491 1.7809 0.8235 0.9860 0.1657 0.9731 1.4804 1.1066 0.1657 1.2426 1.4600 0.9919 1.2488 0.9729 1.7974 1.2950 1.3138 1.5843 0.8078 0.8485 0.9525 0.1657 1.1846 0.9067 0.1657 1.3894 0.6903 1.5533 0.6800 0.4749 1.0601 1.5275 0.9152 1.0200 2.2902 0.8782 1.2298 0.9538 1.1502 0.3356 1.2823 0.5794 1.1620 1.3104 0.9066 0.4574 1.3919 0.1657 1.4927 0.8680 0.9991 0.9522 0.8741 1.1242 0.1657 1.2394 1.1336 0.5660 1.1599 0.8368 0.5734 1.6350 1.2579 0.1657 0.1657 0.7223 0.9946 0.1657 0.8945 0.7003 1.0146 1.0360 1.0312 0.1657 0.1657 0.6535 1.0498 0.8619 1.5683 1.0414 0.9666 0.1657 1.0009 0.1657 0.9036 1.0328 0.5438 0.7324 0.8144 0.5580 0.7291 0.7574 1.0316 1.1110 0.5504 arabitol/xylitol 1.5656 2.4864 1.1135 1.4870 1.3677 0.7266 0.9161 1.0201 0.7427 1.0436 1.6374 1.0554 1.2532 0.6934 0.8538 0.8530 1.0928 1.6002 1.2422 1.6194 1.1774 1.3563 0.9563 1.1515 0.7800 1.9816 0.9115 0.9956 1.5095 0.9006 1.3888 1.0843 1.3398 1.6360 0.5245 0.8481 1.0142 0.8246 1.5721 0.6133 0.3711 1.0538 1.0018 1.0772 1.5009 2.8396 0.9641 1.3690 0.4746 0.9777 0.6358 2.5059 0.8543 0.7840 1.3645 0.6680 0.3397 0.9982 1.1156 1.4571 0.7955 0.8102 0.6768 0.5748 1.1420 1.1094 1.6527 1.0807 0.7602 1.4848 0.7812 0.7944 1.4179 0.8552 0.8048 1.3689 1.3266 1.0776 2.7215 0.7969 0.5754 0.7578 0.9911 1.1739 0.6256 0.6252 1.0747 0.8095 0.6454 1.6961 2.1787 0.7381 0.5482 0.7509 0.8162 0.9964 0.7666 0.5842 1.2614 1.2456 0.5919 0.7868 1.1573 0.8161 1.6263 0.6817 arabonate/xylonate 1.6704 1.9565 0.8920 1.7741 0.8550 0.5781 2.4882 0.9425 1.6586 1.5518 1.7509 1.1004 0.8077 0.6008 0.9361 0.7621 1.1347 1.8679 1.5474 1.8609 0.7868 1.4008 0.9360 0.9266 0.5670 1.6289 1.1188 1.2681 0.8622 0.8258 1.2736 1.2720 2.1530 2.1091 0.6302 0.7812 1.3327 1.0912 1.2237 0.4384 0.8331 1.1770 0.7954 1.1163 1.5931 1.7244 0.8238 1.4235 0.5787 1.3222 0.6457 0.8136 1.1408 1.0173 1.3554 0.7986 0.4984 1.4821 0.6274 1.7836 0.8814 0.6451 0.6070 0.8507 0.7118 1.3390 2.3523 0.9993 1.6394 1.0819 0.9068 0.7992 1.8656 0.6803 0.7413 1.9210 1.2404 1.4776 1.6226 0.8461 0.8974 1.0251 0.9167 1.8458 0.5074 0.6082 0.7701 0.5573 0.6563 3.7507 1.9975 1.4382 0.5709 0.7919 0.5859 0.8474 0.9656 1.0007 1.7434 1.3255 0.8557 0.6715 1.1424 0.8145 1.9413 0.7943 arachidate (20:0) 0.6942 1.0755 0.7452 0.9986 1.6880 1.2594 0.7831 0.5947 0.9730 1.1456 1.3611 0.8337 0.9899 1.5067 0.9521 0.7955 0.8746 0.6303 0.5884 0.9599 1.0934 0.8556 0.6703 1.5554 1.0937 0.7069 0.8443 0.7989 0.7360 0.9793 0.8589 0.6547 1.1228 1.3286 0.7108 1.3534 0.7793 1.0245 0.7896 0.8374 1.0465 0.6191 0.9373 1.3240 1.3904 1.0898 1.1476 0.7174 1.5219 1.1522 0.9082 1.5049 1.0260 1.6030 1.0108 0.8194 1.3766 1.0014 0.9321 1.3225 1.0514 1.1131 1.8027 1.4678 0.7400 0.9602 0.9078 1.4669 0.7602 0.7899 1.0701 2.2500 0.8442 1.0960 1.0249 1.3389 1.5736 1.4418 0.9225 0.9691 1.3389 1.2866 0.7960 0.8691 0.8492 0.8086 1.0135 0.9431 2.3983 1.6469 1.4021 1.0824 1.4939 0.7922 1.1455 1.3785 1.4759 0.7503 0.9862 1.3442 1.9780 0.9112 0.9639 1.4477 0.9684 0.7824 arachidonate (20:4n6) 0.7557 0.6794 0.5615 0.6137 2.3827 0.9491 1.6283 0.3750 1.0387 0.4926 0.8089 0.9520 0.6232 0.5956 1.7825 0.8816 1.0069 0.5704 0.6686 0.6495 0.7065 0.8134 1.1773 0.6197 0.8083 0.6870 0.8699 0.7178 0.9243 1.4552 1.4090 0.8423 0.6509 0.8277 0.7217 0.8878 0.7153 0.7675 0.9136 0.9444 1.5910 0.7141 0.6205 0.9718 2.8020 1.0919 0.9556 0.7553 1.1731 1.2366 1.7818 2.3671 1.5546 2.1863 0.6908 0.7425 2.3544 0.6988 1.0455 1.3616 0.6940 1.4870 1.4721 1.3876 0.7538 0.8637 1.1303 0.9993 1.3367 1.0007 1.6614 4.2120 1.3208 0.6336 1.6730 1.8268 1.3286 1.4884 1.6169 1.4479 1.1222 2.6771 1.2244 1.5808 0.8147 0.8976 1.6596 1.8618 5.4393 2.8962 1.1811 1.5816 1.4255 0.8604 1.0096 1.2854 1.2905 0.7335 0.8121 0.9761 1.3190 1.0406 0.8727 1.2876 0.7881 1.1168 arachidonoylcarnitine (C20:4) 0.7681 0.1771 0.6650 0.6035 0.1771 1.3396 0.7248 0.8935 0.8650 0.1771 0.5090 2.1300 1.1310 0.7338 0.4788 0.5042 0.9486 0.3338 1.0956 1.3410 0.6852 0.8355 0.8267 0.6935 0.5764 0.1771 0.9990 0.3255 0.7003 1.4223 0.2713 0.4898 0.4730 2.9874 1.0000 0.2526 0.5260 0.9052 0.4086 0.9485 1.2691 0.3967 0.3476 1.1170 2.9636 0.7086 0.1771 0.1771 1.7005 1.4121 2.6851 1.3950 2.7891 0.6549 0.3980 1.1738 1.4675 1.2155 0.6207 0.3799 1.0190 2.0045 1.2317 1.7044 0.5053 1.0850 1.3059 1.7361 2.1039 1.8961 1.7818 1.1981 1.5905 0.4867 0.4664 1.0075 0.2883 1.5700 0.4971 0.9795 1.4450 2.6958 0.8379 0.8432 0.4011 1.1246 1.5637 0.9038 2.0365 1.5801 1.2135 1.3575 1.3729 1.1341 1.6784 1.6123 1.8640 1.6729 0.9551 0.8908 2.7745 1.2288 0.9232 0.7566 1.5335 1.4329 arachidonoylcholine 1.1508 0.9680 2.9872 4.0545 1.9521 1.3887 2.5363 6.8518 1.9067 4.3070 1.5681 0.7983 0.6748 0.1665 1.2259 0.9081 1.6558 1.4957 1.3467 0.7459 1.5178 3.8088 1.0049 1.0614 0.7450 5.8948 2.6115 2.3167 0.3199 1.7962 4.0220 2.1667 0.6426 2.5889 0.9062 0.7576 0.7840 1.3657 1.8191 0.7793 3.1130 1.6133 0.3840 0.5268 1.6631 0.8192 0.6926 1.9197 1.6799 3.8757 3.5035 0.3006 7.6114 0.9134 3.2258 0.7164 2.6262 0.9062 1.4002 2.7002 0.8433 0.6585 0.3218 0.8452 1.1657 0.4932 0.5765 0.6850 3.5493 0.3357 0.5161 1.7071 0.3648 0.7530 0.3184 1.6604 0.3817 0.9951 1.3113 0.7596 1.1822 1.1510 0.6415 0.7261 0.1912 0.7585 0.6510 0.4163 0.2988 2.4443 0.2726 1.2591 0.3333 0.4510 0.6898 0.8110 0.6927 1.1450 1.3367 0.8438 0.7907 1.2306 0.5554 0.9685 1.0163 5.0132 arachidoylcarnitine (C20)* 1.2802 0.9494 0.4419 0.3906 0.3906 1.5971 0.7902 0.4167 1.6377 0.4175 0.4065 0.9638 1.3153 1.1693 0.9441 0.6762 0.9951 0.6210 0.4289 1.1942 0.8488 0.4908 0.3906 1.0100 0.8715 0.3906 1.1008 0.3906 1.5583 1.0264 0.4138 0.7305 0.6540 1.4627 0.9104 0.6853 0.9048 1.5993 0.8220 0.7703 1.0048 0.4304 0.8143 1.2351 1.0000 0.9094 0.5416 0.4659 1.6096 0.6125 1.1808 0.6232 1.4115 1.1884 0.3906 0.8979 0.7603 1.4037 0.9258 0.6108 1.4741 1.0800 1.1515 0.7577 0.6622 1.4135 0.6269 1.7454 0.9675 0.9782 1.4188 2.6158 1.9462 2.1069 0.8188 2.2227 0.7037 1.5026 0.5899 1.1293 1.0335 1.4804 1.1907 1.0909 0.8758 1.5952 0.9630 1.0936 1.0003 2.3608 1.2150 0.7176 0.9446 0.7982 0.7109 0.8451 2.3258 3.2349 1.0479 1.3786 2.6720 1.2828 2.3802 2.4165 1.9424 2.5183 argininate* 0.8332 1.0396 0.4594 1.3842 0.2904 0.6320 1.4751 0.7100 0.4763 0.6502 0.7608 0.9793 2.0537 0.1782 0.4993 0.6046 1.1368 0.5830 2.6195 1.3053 0.4093 0.5930 1.8263 1.6873 0.5676 1.5501 1.8581 1.8972 0.8166 0.8907 0.6591 1.1401 1.5198 1.1732 1.0225 0.1782 1.0748 0.7905 1.6567 0.6339 1.2020 0.5993 1.0447 0.6511 0.6474 0.7935 1.4982 0.6039 0.5363 2.2567 1.0928 1.0952 1.0150 1.4112 0.8126 1.1279 0.5168 2.7685 0.8292 1.2540 1.4602 0.8381 0.9709 1.2829 1.4866 0.9740 1.2579 0.6962 1.7197 2.5022 1.4364 1.2372 0.3917 0.2589 0.9798 0.4544 0.6810 0.9357 1.5980 0.2509 0.6723 1.1555 3.1771 2.8077 1.6831 0.1782 1.1184 0.2762 1.0000 0.1782 0.4394 2.0656 0.8832 4.1146 1.0188 1.2366 0.9319 0.6445 1.4921 1.1215 0.7686 0.3661 0.7760 0.9033 1.3635 1.4294 arginine 1.2366 1.0026 0.6647 1.0813 1.0732 0.7908 1.1446 0.8434 1.0642 1.4101 0.7183 0.7219 0.6594 0.5606 0.5346 0.8297 0.8293 1.0466 0.9376 1.1040 0.7600 1.0243 0.9744 0.7211 0.8780 0.8690 1.4504 1.0147 1.0152 0.9977 1.0023 1.2270 0.8085 1.1083 0.5554 0.9046 1.1154 1.3638 0.8655 1.1340 1.2711 0.7935 1.1220 1.2175 0.9709 0.9538 0.9859 0.9686 1.0229 0.6522 1.0891 0.6894 1.1715 0.9425 1.0907 0.9364 1.2011 0.8350 0.9539 1.0765 1.3319 0.8257 0.7752 0.9193 0.7779 0.9355 1.1209 0.6650 0.7816 0.9551 0.7371 1.4094 0.9267 0.8917 0.8004 1.2251 0.5968 1.2211 0.9096 1.3984 1.2707 1.2647 1.3600 1.1956 0.9865 0.6069 1.2240 0.5810 1.1512 0.6082 0.7742 1.1108 0.9276 1.0914 1.3152 1.2601 1.3208 0.9582 1.2430 1.4497 1.0958 1.3445 1.5627 1.0815 1.2648 1.6301 ascorbic acid 2-sulfate 2.0118 3.2196 1.0409 0.9256 0.9102 1.0114 1.2383 0.8289 0.7845 1.3089 1.8146 1.0663 1.7293 1.0035 0.7986 0.6683 1.2807 1.1701 1.7357 0.8751 1.3053 0.5076 0.7291 1.1718 0.8497 1.4109 1.0206 1.3694 0.7314 0.5269 1.2241 0.9764 1.2472 1.2778 0.3433 0.2936 1.3939 0.5506 1.1568 0.7773 0.8903 2.0638 1.1394 0.4402 0.6718 0.7618 1.7291 1.0031 0.8638 1.1037 0.7936 0.4857 1.0574 1.0206 1.4168 0.7534 0.6278 0.7620 0.7816 1.1522 0.3670 1.2039 0.8617 0.7876 1.4835 1.0419 1.3187 1.5553 1.7031 1.3787 0.7318 0.9320 2.4882 0.8092 0.9656 1.5114 0.3965 1.3105 0.8345 1.1950 0.8259 0.4219 1.7894 1.4638 0.7216 1.4032 0.8897 0.8840 1.1527 3.0427 1.1489 0.9703 0.8660 1.2641 0.8917 0.9969 0.3183 0.7141 0.5693 0.8089 0.8116 0.5935 1.0408 1.5890 2.0692 0.8475 ascorbic acid 3-sulfate* 1.1938 2.7378 0.6658 0.8887 0.9302 1.1242 1.3691 0.8432 1.0681 1.3800 1.3008 1.2813 1.1271 1.0209 0.8467 0.7529 1.2821 0.9937 1.2182 0.9009 1.0952 0.3291 0.7967 0.7082 0.6810 0.7919 1.2256 0.9283 0.3825 0.6266 0.8717 0.7940 0.8437 1.4513 0.3686 0.2214 0.9074 0.6503 1.1931 0.8348 1.1966 1.4443 1.0909 0.4395 0.6816 0.5732 1.1078 0.8698 1.0299 1.2688 0.9498 0.1977 1.3241 0.9553 1.2750 1.0178 0.7486 1.3100 0.5527 1.0364 0.4894 1.0875 1.3119 0.9775 1.4023 1.4057 0.8260 1.3442 1.7161 1.6615 1.1180 1.0377 1.5645 0.7480 0.6518 1.0077 0.4681 1.3375 0.6532 0.8048 1.0406 0.6542 1.1394 1.2995 0.8092 0.9793 1.0596 0.5909 1.3746 2.0179 0.7160 1.1157 1.3225 0.9477 0.9040 1.0787 0.3827 0.9386 0.7124 1.0063 1.1785 0.4597 1.1443 0.8964 1.2881 1.0653 asparagine 1.0921 1.0794 1.0659 1.0200 0.8981 0.8552 0.8819 0.9946 1.0378 1.0401 1.1019 0.7296 0.8602 0.7312 0.9351 0.8571 0.7487 1.1413 1.5339 0.9315 1.0326 0.8928 1.0946 0.8704 1.0007 0.9503 0.8344 1.0888 1.1722 0.8951 1.1614 0.9290 0.8051 1.0046 1.2136 0.9437 0.9746 0.8464 0.8522 0.9616 0.9380 0.9943 1.0321 1.1580 1.1231 1.1177 0.8907 0.9009 0.9290 0.6115 1.0030 1.1874 0.8544 0.9396 0.9462 1.0148 0.9022 0.9993 1.0282 1.3814 1.0593 1.0671 0.8662 1.2044 0.8957 1.1654 1.0069 1.2407 0.8952 1.0982 1.1308 1.1625 1.0583 0.7035 1.2249 1.2332 0.7051 1.1890 1.0033 0.8141 1.0138 1.0778 1.1185 1.0401 0.8318 0.7557 0.9981 0.7895 1.1196 0.9959 0.9498 0.9842 0.9885 0.9094 1.3984 1.0022 1.0387 0.9819 0.9661 1.2442 0.9412 1.1138 1.1281 0.9160 1.2168 1.2365 aspartate 1.1465 0.8910 0.7681 1.0384 0.6750 0.8746 0.8503 1.3098 0.7699 0.9586 0.6044 0.9485 1.0896 1.3562 0.6915 1.6203 0.9969 0.6649 1.2364 0.6619 1.1070 1.8024 1.1557 1.8239 1.3175 0.8905 0.7727 0.5145 1.3091 1.0013 0.5340 1.7507 1.0273 1.4381 0.8284 1.3700 1.0344 1.0189 0.8238 0.8566 0.4726 0.7924 1.0052 0.7801 0.9479 0.9458 1.1740 0.4494 1.5481 0.8289 0.9668 0.6725 1.1078 1.5276 1.5296 0.9627 1.3824 1.0569 0.9129 0.7775 0.8863 0.8886 0.9841 1.2772 1.2135 0.9865 1.0870 1.2593 1.2019 0.7479 0.9987 1.1271 0.7297 0.8275 1.3503 1.1161 0.7133 0.6424 1.2464 2.1041 1.2818 1.2817 0.8171 1.4870 1.3207 0.4988 1.2339 1.1118 2.0297 0.8887 1.0409 1.0846 1.1423 1.0047 1.3484 1.4396 0.8773 0.8027 0.8001 0.6629 0.9148 0.9066 0.8014 1.6068 0.6554 1.4218 atenolol 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 1.0208 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 1.1411 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 1.0000 0.4286 0.4286 0.4286 0.8131 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 azelate (C9-DC) 1.2044 1.0309 1.4267 2.9448 0.7445 2.8541 1.3143 1.8568 1.3077 0.7326 1.6752 0.7368 1.5859 1.0668 1.3378 1.0533 1.0409 0.9594 0.7750 1.9675 1.5753 0.8021 0.4725 2.3923 0.6005 0.6184 1.7234 0.9105 0.3544 1.7199 0.9584 0.8900 0.8523 3.8886 0.9770 0.8482 1.5900 1.5426 2.4706 0.3544 0.6897 1.5865 0.6409 0.6262 0.7557 0.7691 0.8025 0.7428 0.7764 0.9979 0.6530 0.3544 0.7930 1.2484 2.0197 1.4325 0.9158 1.3769 1.1278 1.5616 1.8936 0.6637 1.1967 1.1296 2.5186 2.6779 0.5933 2.1332 1.1438 1.0676 1.4287 1.1469 0.9198 1.5595 0.3596 0.6189 1.3596 1.8842 1.6022 0.7030 0.7658 0.9792 0.3544 1.3248 0.7350 1.4131 0.7121 0.4617 0.8749 1.4496 0.9118 1.0000 0.7595 0.8392 1.4244 0.9811 0.9996 0.9972 0.9015 0.8007 1.6111 0.9596 0.7739 0.7701 1.3279 1.2007 behenoyl dihydrosphingomyelin (d18:0/22:0)* 0.7325 0.8633 0.8768 0.9557 1.0957 0.6048 1.2206 0.6014 0.7567 0.5607 0.7562 0.9138 1.8927 1.5634 1.0605 1.1347 0.7022 0.4127 1.1379 0.4939 0.7092 1.2595 0.5803 1.0179 0.8482 0.8059 0.7331 0.3476 0.8382 0.4427 1.2170 1.7289 1.4923 0.9111 0.5819 1.3282 0.9479 1.1243 1.1768 1.0847 0.6773 1.2666 1.1880 0.9302 1.9163 1.3183 1.5134 1.2585 0.6542 0.4046 1.6216 0.7577 0.7659 1.6452 0.9289 0.7771 1.2501 1.3332 0.8552 1.1999 1.3515 1.7072 1.3112 1.3247 1.6107 0.6939 0.5417 1.2353 1.5389 0.6662 0.6828 2.9392 0.9821 1.5390 1.4876 1.7905 0.7038 0.4665 0.6731 0.7087 0.7571 1.2001 1.8137 1.8226 1.1958 0.8604 2.2719 1.5991 0.6334 1.1436 1.2328 1.3508 1.1821 0.7563 1.8064 0.7418 0.8602 1.7700 1.1574 0.9317 0.6244 0.8208 0.8999 1.3152 0.6227 1.3789 behenoyl sphingomyelin (d18:1/22:0)* 0.9993 1.3288 1.0242 1.1113 0.9387 0.7176 1.1442 0.7246 1.0527 0.9784 1.1467 0.9533 1.0571 1.0836 1.0268 0.9811 1.0491 0.7085 0.8509 0.7843 1.1033 0.8688 0.8193 1.0029 0.7635 0.8478 0.8731 0.7067 1.0230 0.9663 1.0226 1.0358 1.3940 0.7910 0.8666 1.0313 1.0992 1.2226 1.0475 0.8617 0.9888 1.1332 0.9730 0.8429 0.8160 0.9435 1.3026 1.2366 0.8525 0.7593 0.9866 0.9137 0.9250 1.3051 0.9383 0.7765 0.9448 0.9780 1.0953 0.9698 1.1690 1.0911 0.8096 1.0567 1.2241 1.1304 0.8410 1.2319 1.2355 0.6815 0.7847 1.6203 1.0089 1.4395 1.0678 1.7552 0.6665 0.9829 0.7830 1.0007 0.9062 1.0616 1.2565 1.2859 0.9831 1.2100 1.0865 0.9700 0.8088 1.3124 1.3262 0.9392 0.8795 0.9170 1.0676 0.7068 0.8949 1.5877 1.0233 1.3209 0.9102 1.0071 1.4621 1.7027 0.9973 1.7668 behenoylcarnitine (C22)* 0.7051 0.4645 0.4645 0.4645 0.4645 1.3142 0.4645 0.4645 1.2757 0.4645 0.4645 0.7995 1.7645 1.3643 0.4645 0.6873 1.2704 0.4645 0.4645 0.8765 0.4645 0.4645 0.4645 0.9176 0.7270 0.4645 1.0824 0.4645 1.7495 0.6532 0.4645 0.4645 0.6656 1.1118 0.8306 0.6058 1.4590 1.6922 0.4645 0.5520 0.8219 0.4645 0.6503 0.4645 0.7749 0.7533 0.6575 0.4645 1.1445 0.6135 1.0245 0.4645 0.4645 0.4645 0.4645 0.4904 0.4645 2.4394 1.3298 0.5484 1.7162 0.8168 1.2119 1.1190 0.7919 1.3941 0.5889 3.8935 1.0738 0.6652 1.8482 2.7345 1.5303 2.7795 1.2397 0.4645 0.6022 1.0139 0.5441 1.0000 0.9467 0.4645 0.4645 0.4645 0.9240 1.9486 0.8492 1.2154 0.8897 2.3998 0.8660 0.9174 0.9408 0.8736 0.7604 0.4645 2.0518 2.0570 0.4645 1.2250 2.3164 0.9738 1.4072 1.5720 0.4645 2.0460 benzoate 1.3364 0.9319 0.9957 0.9209 1.0468 1.2398 3.9474 1.0043 0.9066 0.9537 1.2084 1.0596 0.9580 1.4193 0.8113 0.8761 1.3322 1.2958 0.9349 1.3719 0.8738 1.1622 0.7486 0.9590 0.8372 1.3093 1.1846 1.3131 1.2378 3.9332 1.2021 0.8481 0.7729 1.2073 1.1686 0.9544 0.8439 1.2476 0.9760 1.0693 0.9834 0.9687 0.8583 1.0723 0.8570 1.0058 1.2696 1.1927 1.0569 0.7843 0.8667 0.9946 1.2347 1.2717 1.0597 0.9043 1.1178 0.9103 0.9226 1.1736 0.9853 0.8538 5.0646 0.8544 1.0588 1.1413 0.7779 0.9409 1.4854 0.8977 0.9018 1.3489 1.3519 0.4264 0.8164 1.4943 0.8191 0.9291 0.8921 0.9132 1.3894 0.7516 1.0895 0.8289 3.9574 0.8502 0.8113 0.6407 1.0489 1.0187 0.7850 0.7676 0.9547 0.8551 0.7402 0.8158 4.6962 1.1786 1.0558 1.0301 1.0796 1.2730 1.2506 0.9540 1.1257 1.1662 benzoylcarnitine* 0.3796 0.8481 1.3509 0.3796 0.3796 0.3796 1.7208 0.3796 1.2050 0.3796 0.8979 0.7793 0.6881 1.7252 0.3796 0.3796 1.8054 1.0173 2.9531 1.6337 0.3796 0.3796 0.6170 1.1714 0.3796 0.4989 1.2605 0.3796 1.2572 0.5551 0.7225 0.3796 0.6496 2.6140 2.4080 0.5953 1.3184 1.9480 0.7621 0.8240 0.3796 0.7865 0.3796 0.3796 0.3796 0.7352 0.3796 0.3796 1.7130 1.4971 0.9499 0.3796 1.3445 1.4060 0.4495 0.7707 0.3796 1.6415 1.1976 0.5770 0.8436 0.5243 0.6305 0.3796 0.3796 0.7681 1.3908 0.3796 1.7646 0.3796 0.3796 0.6980 1.4582 0.3796 1.3080 0.6795 0.3796 5.2992 0.5906 0.3796 0.3796 0.7149 1.1179 1.8419 0.5028 0.5727 0.5453 0.3796 0.3796 0.6066 0.8163 2.2423 0.3796 0.8313 0.3796 1.1590 0.7605 1.5712 0.3796 1.3242 0.9827 0.3796 1.0204 0.3796 2.8877 2.6931 beta-alanine 1.1016 0.9280 0.7592 1.3138 0.8790 0.9254 0.6301 0.8569 0.7464 1.1336 0.8308 0.8833 1.1424 1.3581 0.6021 1.0326 1.2526 0.6944 1.1242 1.2271 1.7121 1.0303 1.1823 1.0171 1.1012 0.9104 1.0106 0.8507 1.0130 0.9934 0.9234 1.0877 1.2796 0.9739 1.2684 0.9311 1.0213 0.6990 0.8929 0.8764 0.7307 0.9057 1.0066 0.8611 1.0363 0.8292 1.4094 1.3210 0.8610 1.5634 0.7512 0.9088 1.0693 1.2001 0.9535 0.8409 1.0110 1.1141 1.4254 1.6173 1.7535 0.8041 1.0286 1.2619 0.8756 0.9131 0.8254 1.5861 1.1665 0.9818 1.1937 1.1451 1.2508 0.8131 1.1690 1.0189 0.7415 1.1075 0.6645 0.7003 1.2028 1.0234 0.7844 0.9747 0.8716 0.8940 0.9814 1.0459 0.9824 0.7949 1.0309 1.0511 1.4242 0.6919 1.0747 0.5937 1.5631 0.6836 0.8413 1.1052 0.9570 0.7822 1.2087 0.7010 0.8389 1.2756 beta-citrylglutamate 1.0827 0.9246 0.4700 1.1826 0.8031 0.5976 0.8672 0.8714 1.0177 1.1743 0.4805 0.8202 1.3792 2.2494 1.1159 1.2342 0.8498 0.6428 1.0017 0.8237 0.9440 1.2111 0.7774 0.9496 1.4773 0.8593 1.1122 0.5066 1.4789 0.7737 0.5719 1.4534 0.9961 0.9103 0.8419 1.6765 0.5832 0.9388 0.8196 0.9168 0.6544 1.1256 1.1420 0.8326 1.4995 1.1502 0.6572 0.6019 1.2069 0.9417 0.5767 1.1236 1.0406 1.3138 1.8081 0.7527 1.2077 1.3644 0.8198 1.0576 1.0135 0.7401 0.8610 0.9590 1.1784 0.8608 1.0395 2.3066 1.4032 1.0016 1.0077 0.5291 1.3953 1.0207 1.2026 1.4452 0.7785 0.3720 0.8262 0.9318 0.8706 1.1626 1.3003 1.5130 1.4278 0.8017 0.9056 1.4571 1.8076 1.3464 1.4493 1.3802 1.0154 1.1265 1.2518 0.7784 0.6738 0.7933 0.6584 0.8579 0.7735 0.9984 1.3979 1.9437 0.8867 1.1643 beta-cryptoxanthin 1.1005 0.8702 0.1005 0.7067 0.0484 0.3464 1.4908 0.3654 0.6578 0.7741 1.1069 0.1956 0.1827 0.2415 0.2554 0.7563 0.9756 1.2911 0.3975 0.8655 1.7373 0.5754 0.3158 0.5318 0.2779 1.1006 1.1621 0.7746 0.7928 0.2745 5.0623 2.5417 0.3145 1.9666 0.3493 1.1197 6.5900 0.1179 0.7082 1.0043 5.7184 2.8738 1.5223 0.0484 0.0484 0.8989 0.1283 2.0767 0.2801 3.9920 1.8836 0.3058 1.7575 3.6466 0.7944 0.7160 1.0302 1.7179 0.9957 2.7041 1.1016 1.5433 0.2249 0.4947 1.0919 4.2998 1.9135 1.2399 1.1966 0.6620 1.8330 2.1551 1.5646 0.5514 0.8562 1.5492 0.4368 1.4136 1.0868 0.2885 2.8887 1.5968 4.7612 0.4577 0.5894 1.3469 1.7744 0.2226 1.5590 4.0937 0.5887 0.3371 0.4102 0.2221 0.1371 1.2920 0.2790 6.1349 2.0352 2.1079 0.4651 0.6826 4.0184 5.1620 2.9730 1.3626 beta-hydroxyisovalerate 1.2838 1.5236 1.0290 0.7567 1.0765 0.9267 0.7054 0.9435 0.9981 0.6054 1.0586 0.9548 2.4151 0.3682 1.1604 0.2982 1.2369 1.0229 1.1712 0.8042 0.9270 0.7983 0.7925 1.0019 0.8600 0.9920 0.8433 1.5701 0.5567 1.2612 0.3877 1.0959 1.1329 0.9139 1.9291 0.5253 0.6373 0.8516 1.5413 1.3778 0.6322 1.4100 1.0305 1.0775 0.6488 1.3912 1.2817 0.8748 0.7587 1.1270 1.0497 2.0031 0.7172 1.0882 0.5943 0.9771 0.4894 2.0591 0.7552 1.7608 1.2399 1.2792 1.2942 0.9486 0.9940 0.7427 0.8712 1.0846 1.0548 1.0231 1.8559 0.8907 1.0115 0.2747 1.0369 0.8152 1.2806 0.5944 1.9745 0.3566 1.0329 1.0925 0.9764 1.4277 1.0279 0.6848 1.6705 0.5942 0.6817 1.3675 1.5639 1.1936 1.2757 0.7460 0.9666 0.8702 1.3903 1.4851 0.7033 0.8566 1.3891 0.6919 0.9029 0.2988 1.2205 0.7759 beta-hydroxyisovaleroylcarnitine 0.8645 1.0076 0.6823 0.6543 0.5689 0.8483 0.8552 0.9163 1.1363 0.3553 1.0101 0.6842 1.7676 1.1591 0.7939 0.6614 1.4543 0.8381 1.5841 0.8320 0.5633 0.7632 1.1232 0.7966 0.7941 1.1679 0.7627 1.0000 0.9820 1.0944 0.7443 1.0550 0.6253 1.2736 1.2181 0.5974 0.6037 0.9109 0.6812 0.8360 1.0473 1.1504 1.0140 0.9650 0.6972 1.1117 0.3553 0.9229 1.3963 1.6664 1.4036 1.5157 1.5289 1.2373 0.9845 0.6953 0.6125 2.0945 0.7094 0.9242 1.3296 0.9738 1.0459 1.2459 0.6655 0.7887 1.1719 1.4502 1.2792 1.0522 1.4683 0.7912 0.9894 0.6801 1.2735 1.2462 0.7468 1.2543 1.0192 0.6712 1.0451 1.0038 0.7896 2.1851 0.9554 0.8273 1.5681 0.7513 1.3213 1.0499 1.5320 1.2928 0.7314 1.2612 1.2642 1.0102 1.2171 0.9551 0.6124 0.8104 1.2764 0.5615 1.0224 0.9204 1.6969 1.4201 betaine 1.2828 0.9288 0.9772 1.1801 0.9406 0.8791 0.8464 1.1887 0.8682 0.8539 1.2450 1.2721 1.2457 0.9488 0.6943 1.0626 1.0527 1.1362 1.2290 1.1373 1.2987 1.0542 0.8391 0.8815 0.9863 0.8339 0.9434 1.1574 0.6744 0.7924 1.3843 1.0926 0.8784 1.1535 1.0346 0.5640 1.0240 1.2433 1.3515 1.2903 1.0238 1.1985 0.6673 1.0843 1.1896 0.9769 0.7762 1.2467 1.0702 0.7887 1.1837 1.6476 0.9137 1.0663 1.0647 0.9163 0.9217 0.9052 1.1293 1.1081 1.0629 0.7783 0.8091 1.0799 0.9777 1.0005 0.9024 0.6250 0.8426 0.9553 1.1651 0.7629 0.7932 1.8601 0.8655 1.1580 0.5860 1.2460 0.9287 1.3853 0.8932 1.0689 0.9985 1.0780 0.8224 0.9795 0.9511 0.7290 0.9182 0.6810 0.7287 1.0199 1.0007 1.1263 0.9822 0.8565 1.0309 0.9643 1.1432 1.1415 1.4148 1.0420 0.9995 0.8683 1.2400 0.9775 bilirubin (E,E)* 2.0088 1.5845 0.6949 0.7305 1.3231 0.6595 0.7131 0.7961 0.8599 0.4589 0.5616 0.8383 0.7115 0.4981 1.1040 0.7802 0.5806 0.8521 0.5643 0.9072 0.9049 1.0654 1.2224 1.0003 1.7602 0.8393 0.4498 0.6905 1.1212 0.7017 0.7703 0.9119 0.3520 0.6499 0.6791 0.4527 1.1224 0.4549 0.5145 0.6904 0.8841 0.8265 0.9997 1.1170 0.9129 0.7089 1.5964 0.6951 0.5872 0.4125 1.2538 1.4381 0.4723 2.0736 0.7701 0.9320 0.4272 1.1738 1.1735 1.8846 0.7599 1.1786 1.2288 1.0730 0.5854 1.2553 1.2851 0.8890 0.6795 1.6214 1.6449 1.2933 2.0247 0.4428 1.3087 1.5828 2.9104 2.6803 1.6252 1.3895 0.6031 1.2032 3.5618 0.6919 1.2254 0.7804 1.0626 1.0330 2.7880 0.6060 1.7464 0.9237 1.5865 1.1467 1.1586 1.8296 1.6200 2.3759 1.6166 1.6055 1.8517 2.3562 1.2958 2.7132 1.4559 0.9331 bilirubin (E,Z or Z,E)* 1.3237 1.2766 0.7171 0.9073 1.1587 0.8070 0.8605 0.9641 1.1841 0.6077 0.6672 0.6077 0.6227 0.6966 1.2511 0.7426 0.8924 1.2253 0.7525 1.1099 0.8902 0.8174 0.8641 0.9216 1.8191 0.8448 0.9077 0.7988 0.9317 0.9130 0.9262 1.2990 0.5405 0.9519 0.6163 0.7935 0.8221 0.7292 0.7428 0.8519 1.3112 0.6396 1.2570 1.1243 1.1176 0.7052 1.4006 0.9827 1.0979 0.8954 2.1161 0.8577 0.7412 1.6514 0.4347 0.9996 0.6313 2.2363 1.3455 1.5204 1.0198 1.2019 1.0518 1.1130 0.7491 1.2693 0.9139 0.7140 1.1170 1.3196 1.3475 1.3591 0.9243 0.3131 0.8221 1.2706 1.6830 1.4371 1.2713 1.1779 0.7555 1.0763 2.2069 0.5908 1.2453 0.7185 1.1507 0.7766 1.4679 0.5615 1.0004 0.7305 1.0831 0.5796 1.1372 1.2136 1.8074 2.5184 1.2150 1.4407 2.2485 1.6230 1.3620 1.0711 1.3825 1.1005 bilirubin (Z,Z) 1.4198 1.4185 0.7645 0.9448 1.0897 0.7117 0.8071 1.1193 0.9453 0.6487 0.7482 0.9636 0.7328 0.7125 1.0716 0.7496 1.0614 1.1969 0.7277 1.1108 0.8877 0.8362 0.7505 0.9122 2.0487 1.0063 0.9017 0.8476 1.0457 0.8591 0.8869 1.2449 0.5548 0.9326 0.6387 0.7862 0.8237 0.6221 0.7221 0.9099 1.0598 0.6836 1.1683 1.2394 1.1568 0.7865 1.4693 0.9798 1.1263 0.8540 2.0536 0.7528 0.7419 1.5528 0.5048 1.0185 0.6905 1.7898 1.4721 1.5878 0.8399 1.4453 1.0096 1.0047 0.6733 1.1979 1.0209 0.5926 1.0429 1.3541 1.3589 0.9953 0.8902 0.3743 0.7862 1.1227 1.6259 1.3611 1.3601 1.2043 0.7435 0.9365 2.2633 0.5201 1.0658 0.6246 0.9701 0.9011 1.4219 0.4684 1.0625 0.7764 1.1462 0.5439 1.0844 1.1857 1.6632 2.1873 1.1777 1.3050 2.6969 1.5600 1.2773 1.1103 1.3625 0.9901 biliverdin 1.9398 1.3697 0.6558 0.7587 1.4837 0.7203 0.6685 1.0110 0.9167 0.5681 0.6058 1.7259 0.6263 0.7083 0.9808 0.7355 1.3646 1.0571 0.6720 0.9923 0.8754 0.9716 0.9313 0.8941 1.7733 1.1756 0.7834 0.8377 1.1969 1.0935 0.8238 1.0077 0.4034 0.5958 0.6363 0.6778 0.6448 0.6003 0.6786 0.7153 1.0293 0.5783 1.0265 1.7665 1.4160 0.5348 1.5644 1.1402 0.8511 0.6538 1.8187 0.9737 0.5082 1.2508 0.4185 0.8573 0.6064 1.6234 1.4276 1.5040 0.7158 1.1564 0.9534 0.9495 0.4016 1.3282 1.0249 0.7051 0.8068 1.5031 1.7692 0.9370 1.2579 0.3400 1.1626 1.2307 2.2200 1.9313 1.4859 1.1723 0.6378 1.2823 2.2877 0.4182 1.1126 0.4931 0.8819 1.2879 2.2574 0.2786 1.8887 0.7257 1.5146 0.6279 1.0776 1.3762 1.9873 2.7365 1.0907 1.4027 4.5996 2.1798 1.4884 1.4524 1.7433 0.7796 branched chain 14:0 dicarboxylic acid** 1.1823 0.7056 0.6618 4.1329 1.0696 0.5631 0.9403 0.9577 1.2940 1.5488 4.1592 1.1597 0.4430 0.4919 0.2913 0.2827 0.9848 1.4514 0.4983 2.3425 1.0981 1.9230 0.8565 1.6291 0.5724 0.7800 2.3990 0.7399 0.3287 0.6795 4.9241 0.8958 0.5096 2.2264 0.6514 2.8502 3.8245 1.6255 2.4295 0.3626 1.3939 2.6674 1.2487 0.2813 0.1190 1.6703 1.3321 0.4515 0.2825 1.1527 0.9211 0.7289 3.2030 4.1556 0.8593 0.7389 0.6931 3.3519 0.9445 3.1337 2.1093 1.5102 0.9914 0.7384 0.6468 3.2009 0.9332 0.4291 0.5021 0.3907 1.3167 1.8118 0.0489 0.3120 2.5061 0.3783 0.4997 1.6446 0.9851 0.0489 0.8180 1.8455 1.0028 0.6715 0.4811 0.6925 3.6431 0.8338 0.0489 0.8563 1.7550 1.3502 0.0489 0.4256 0.9972 1.1107 0.0489 2.6463 2.8135 2.3895 2.4850 1.3505 1.2100 1.2321 5.1609 1.0991 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* 2.4391 0.4259 1.6032 0.8036 2.0829 1.9954 0.5326 0.1103 1.3281 1.4070 1.9599 0.6544 1.1767 0.6774 0.8611 1.5850 0.9645 1.2614 0.4052 1.5798 1.0829 0.4593 0.6454 1.8603 0.2719 1.1686 1.7035 1.8829 1.9001 1.7573 1.5756 0.4467 1.3303 1.0068 1.4525 0.9475 1.8725 1.7053 1.8610 2.4849 0.5710 0.8772 1.7760 0.8164 0.5988 1.7107 2.9327 1.5831 0.7547 0.7345 0.9170 2.9882 1.3910 1.7288 0.1815 2.4961 0.5101 1.5941 0.3604 1.8156 2.2388 0.2988 0.9797 0.6763 0.8352 1.1384 0.4870 0.2481 0.3763 0.7601 0.6227 0.6203 0.5798 0.5474 0.3747 0.5896 3.6124 1.2671 0.9277 3.9935 0.8774 2.5529 1.3358 0.6348 0.2481 0.3523 1.6694 0.4829 1.1621 0.3380 1.3672 0.7411 0.4241 0.2480 0.3731 1.6639 2.2588 0.5140 0.6981 1.9080 0.7572 1.0471 1.1917 0.9932 2.1301 1.0373 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* 1.9949 0.9745 0.9236 0.8919 0.3735 1.0719 0.3735 0.4979 0.9573 0.6798 0.9606 0.3735 0.3735 0.4324 0.3735 1.0255 0.5403 0.3735 0.6739 1.5469 0.7100 0.3865 0.8111 2.7125 1.1157 0.3735 0.5378 0.7626 0.3735 0.3735 0.9021 1.0310 0.6473 0.7251 1.2848 1.2919 0.3735 1.1928 0.3735 3.4839 0.3735 0.4805 1.3469 0.3735 0.3735 0.3735 2.1680 1.1326 0.7465 0.5392 1.4066 0.3735 0.6561 2.8202 0.9213 1.0734 0.3735 1.2361 0.3735 1.7469 1.2042 0.4589 1.2669 1.3587 1.7280 1.2831 0.3735 0.5933 0.3735 0.4637 1.0647 0.7994 0.9690 0.3735 0.3735 0.3735 0.3735 0.3735 0.9217 1.2037 0.8190 0.3735 1.7106 1.9515 0.8637 0.3735 1.8634 0.3735 0.3735 1.0269 0.3735 1.2897 1.6721 0.8641 0.9041 1.0359 1.4288 0.3735 0.5312 1.1797 1.6235 0.3735 1.2863 0.8954 0.3735 0.8502 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (3)* 0.2748 0.9435 0.2748 0.2748 1.0868 0.2748 1.4058 0.2748 0.7390 0.2748 0.2748 1.0616 0.9971 0.6371 1.3116 0.9630 0.9348 0.2748 0.6059 0.8131 0.2748 0.3370 0.9800 0.2748 0.7594 0.3801 0.2748 0.9660 2.0008 1.3596 1.3493 0.2748 0.2748 0.4906 0.9240 0.9665 0.2748 0.4579 0.2748 0.2748 1.6407 0.5142 1.1126 0.2748 1.6546 0.2748 0.2748 0.2748 0.2748 0.5479 1.0410 0.4034 0.2748 1.6168 0.4182 0.2748 1.0896 0.2748 0.2748 1.6858 1.0727 1.0247 1.2243 0.2748 0.2748 0.7792 0.4334 0.2748 0.2748 0.7104 0.2748 1.1915 0.2748 0.2748 0.2748 0.2748 0.2748 1.4814 1.2668 0.2748 0.2748 0.2748 1.3673 0.9205 0.5974 0.2748 1.5221 1.6271 0.2748 0.4657 1.5121 0.2748 0.2748 0.8006 1.3100 1.3699 2.4464 1.2275 0.2748 0.2748 1.1441 1.0029 0.9262 0.9138 1.5089 0.2748 branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* 0.8906 0.6101 1.1071 0.1206 1.8278 0.7514 2.0792 0.1009 0.7310 0.0988 0.7960 1.0899 0.7816 0.9656 1.8242 1.2817 0.9183 0.3193 0.8134 0.6394 0.8429 0.5528 0.9668 0.6558 0.9420 0.6985 0.5900 1.0096 2.4571 1.4068 1.7951 0.8053 0.5919 0.5914 0.4917 1.1214 0.8001 0.6914 0.6041 1.5565 1.7558 0.4161 1.2892 1.1495 2.2024 0.5985 1.0148 0.6711 0.8885 0.5835 1.2999 1.7832 0.7154 1.8700 0.2493 0.2700 1.4584 0.6062 0.9649 1.6857 0.9250 1.4911 1.1782 1.2928 0.6388 1.0050 0.3739 1.1978 1.1075 1.0127 1.1855 1.3719 1.7713 0.8365 1.5647 1.1913 0.6160 1.9675 2.2931 1.6523 0.4394 2.9116 1.4315 0.9532 0.8194 0.7074 1.6908 2.2671 1.1692 0.6262 1.7160 1.0838 1.7965 0.9296 1.6781 1.8960 2.3584 2.0200 0.3853 1.5022 0.9950 1.0075 0.7978 1.2613 1.3410 0.5510 butyrate (4:0) 0.9378 0.2506 0.2506 0.5685 0.2506 0.4115 0.2506 0.2506 0.2506 0.2506 0.9888 0.2506 2.1527 0.5854 0.8135 0.5878 0.8029 4.0046 1.0000 3.7484 0.2506 0.2506 0.2506 1.2454 0.6565 0.2506 1.2719 0.2506 0.3995 0.8011 0.6860 1.1137 0.7790 1.0698 0.8067 2.3995 1.5048 0.5847 1.5057 0.7446 1.6216 1.4636 0.9678 0.5876 0.2506 0.2506 1.0127 0.2506 3.0533 0.6849 0.2506 0.7526 0.9855 0.2506 1.1912 5.5110 0.2506 0.6068 0.3771 2.4703 0.8931 0.2506 1.0330 0.2506 0.8434 4.2000 1.5710 0.2506 0.2506 0.9216 0.2506 1.1788 2.7081 3.3985 1.5925 0.2506 0.8309 0.2506 1.0733 2.0191 0.2506 0.7059 0.8283 3.3502 1.0630 0.2506 0.2506 0.6284 0.7234 0.8240 1.1064 2.5745 0.2506 4.2627 1.2317 0.6190 1.0609 0.7048 1.2813 1.6505 1.1899 0.2506 0.6910 0.9215 1.0988 0.2506 butyrylcarnitine (C4) 0.9075 0.3623 0.5300 0.5604 0.4521 2.9997 0.6083 0.3461 1.0072 0.2604 0.2604 2.0306 0.9881 1.0882 1.0000 0.9997 0.9244 0.6427 1.0260 1.0105 0.7134 0.8064 1.1563 2.4022 0.8826 1.3216 0.9719 0.3052 0.6749 2.3554 0.6312 1.0088 0.5525 1.1327 0.9499 0.4607 1.6531 0.8834 0.5171 0.4961 0.9608 0.6155 0.8401 1.3385 1.8560 1.2492 0.2831 0.5575 1.0054 1.0737 1.7070 0.9386 0.8519 1.0874 0.8978 0.9584 1.1966 1.4419 0.5599 6.7081 1.0081 0.7252 1.1992 0.8103 0.9156 0.5327 1.3369 2.8887 1.3664 1.5003 0.9723 1.4025 1.9497 0.7838 1.3515 0.6126 0.8792 1.3201 1.3613 0.9070 0.8323 1.9060 1.5001 2.2458 0.9610 1.6539 1.4497 1.5885 1.0798 0.9644 2.3646 2.2445 1.4483 1.6286 5.1840 2.5695 2.0806 0.8099 0.8285 0.6584 1.8112 0.9119 0.7464 2.2951 3.0054 1.4669 butyrylglycine 1.0450 0.4872 0.6782 0.4872 0.7070 1.6749 1.0498 0.9825 0.7731 0.4872 0.4872 1.2684 0.5961 0.8250 1.1256 1.0322 0.8626 1.7539 0.4872 0.4872 0.4872 0.4872 0.9653 0.8939 0.4872 1.6893 0.4872 0.4872 1.5756 1.1911 1.0600 1.1586 0.9247 1.1321 0.6156 0.4872 0.9679 0.4872 1.0076 0.4872 1.1935 1.0099 0.4872 1.0156 0.9526 1.3127 0.8223 1.0694 0.4872 0.4872 0.9428 0.4872 0.4872 0.4872 0.6934 0.9130 0.4872 0.4872 0.4872 1.4390 0.9796 0.4872 0.7166 0.6861 0.9614 0.4872 0.4872 0.7160 0.4872 1.2528 0.7551 1.0367 1.1552 0.4872 1.1233 0.4872 0.7198 0.4872 0.9126 0.4872 1.1006 1.3596 0.4872 1.2509 0.7086 1.5067 0.9287 0.4872 0.6645 1.2069 1.1347 1.1159 0.4872 0.8520 1.3659 0.9308 1.0286 0.4872 0.8202 0.9924 1.1523 0.5915 0.4872 1.7162 0.7657 0.4872 C-glycosyltryptophan 1.0398 2.6538 1.1291 0.8263 0.6870 0.7799 0.9712 0.9850 0.9020 1.8073 1.2287 1.3501 1.0968 1.1975 0.9230 1.5064 1.2317 0.9362 1.1767 1.0424 1.1130 0.9520 1.0784 1.2077 0.7424 0.9840 1.0645 0.8600 1.0922 0.9207 0.6666 1.0982 1.1630 2.4135 0.9511 0.9845 0.6295 1.1631 1.2510 0.9995 0.7170 1.1120 0.8883 0.9220 1.1909 0.8627 0.6972 1.8273 1.1489 1.5970 0.8191 0.7135 1.0826 0.9417 1.2582 0.9869 1.0588 1.1983 1.0005 1.0530 0.8592 0.8400 0.9746 0.8355 1.6280 0.9807 1.0654 1.0097 1.9160 1.3029 0.9797 0.8140 2.2165 0.6217 0.7706 1.0954 0.6279 1.4644 1.2951 0.9031 1.0094 1.0604 0.8853 1.5081 0.7683 0.7945 0.9808 0.8529 0.8861 1.5406 1.7919 1.2053 0.8816 1.1852 0.8994 1.0346 0.9672 0.9451 0.9220 0.9352 1.0378 0.7679 0.9220 0.9069 1.8956 1.1903 caffeic acid sulfate 2.4323 0.0665 5.6719 1.9069 0.0244 0.0271 1.7634 1.5698 0.4009 0.8965 4.4887 0.8044 5.1860 4.8103 9.5178 1.9400 9.5732 1.5862 4.6872 1.5213 1.1489 0.2489 5.7472 2.9300 4.0284 4.8071 3.3177 2.0609 0.1383 2.1098 2.4123 1.1509 4.9458 1.9048 7.9020 7.1169 0.6062 8.6671 7.2138 1.6020 0.4052 1.4495 6.2005 0.3386 1.4988 17.0738 4.0918 0.7928 0.1262 2.6036 2.0266 0.0656 2.7775 2.0955 0.7896 5.8522 0.2056 11.3943 5.8657 0.4597 3.1328 5.3062 0.0244 0.0341 0.1585 2.5884 0.2344 0.9290 0.3423 0.4072 0.0481 0.1611 0.4948 0.9136 0.1303 0.1329 0.3501 1.1125 0.7800 0.0244 0.0244 0.0244 0.0591 0.4607 0.2134 0.2980 0.0244 0.0262 0.1882 0.3277 0.4504 0.1132 0.0804 0.0244 0.0244 0.0244 0.0677 0.2324 0.1385 0.2519 0.0244 0.0533 1.0710 0.0244 0.2916 0.9117 caffeine 1.4322 0.3789 0.9417 0.0082 1.3836 0.2035 0.5027 0.0281 0.7977 0.0445 2.2575 1.1970 2.5452 1.7485 3.0066 1.2153 3.1027 1.4923 0.7431 2.4639 0.0968 2.7445 2.4161 1.0099 1.7864 2.1890 1.6646 1.6283 6.9477 1.7627 2.1705 2.1700 2.4442 0.9699 2.1249 3.8159 3.0149 3.4894 2.2231 0.8631 0.0082 0.2809 2.0040 0.9999 2.5699 5.7478 1.8797 1.0878 1.6231 0.6320 2.0955 0.0658 1.8338 1.9010 0.4476 0.8472 3.4183 1.5841 4.7471 0.1347 4.5041 2.3431 0.3979 0.1289 1.3396 1.0001 0.3375 1.3869 0.8484 0.0617 0.4166 0.9849 2.0763 0.0681 1.4741 0.6162 0.6470 0.2812 0.3653 1.6502 0.7995 0.3396 0.5920 0.3836 0.9218 1.5623 0.0694 0.3542 0.0082 0.2818 0.4933 0.1586 0.4966 0.1776 0.0476 0.4695 1.8655 0.6915 0.1625 0.1236 0.9848 3.9674 1.2131 0.4976 0.4164 0.5365 campesterol 1.1704 2.1618 0.2168 2.0781 0.5212 0.4767 1.1985 0.7041 0.9757 0.9469 1.1475 0.2168 1.1508 0.8038 0.6800 1.2718 1.4891 0.7696 0.5295 0.7683 1.9701 0.2168 0.3897 3.1105 0.7819 0.3710 0.5957 1.0697 0.7445 4.0449 1.2204 0.2168 0.8501 0.8262 1.0477 1.5235 0.9538 2.9238 0.9041 0.4759 2.0056 0.3080 3.6049 0.3341 0.4317 0.2785 1.1312 0.5364 0.4989 0.5521 0.8493 0.2289 2.3489 1.7888 0.7739 1.1526 0.3982 0.4472 2.8647 1.5773 1.1434 0.8152 1.2607 1.5243 1.2457 1.2776 0.4632 0.8172 0.2168 0.6915 1.8449 1.0842 1.1755 3.6166 0.6967 3.6202 1.7481 1.7042 0.2562 0.4407 0.4125 1.0590 1.1463 0.6965 0.7800 0.9133 0.3113 1.0000 1.0708 6.7866 0.2168 1.5245 1.0996 1.1286 0.3295 0.2685 0.9401 2.7303 0.8946 2.9006 2.4834 2.6475 1.4276 0.6874 1.0880 3.3254 caprate (10:0) 1.6806 0.5745 2.1185 1.2500 1.7340 2.1558 0.9116 0.1930 1.3366 1.0609 1.0102 0.7869 1.1607 0.7535 1.6169 1.6340 0.8787 1.1999 0.5021 0.7565 0.9898 0.7070 0.7542 2.3041 0.5471 0.9679 1.7928 1.7525 1.3180 2.6311 1.7015 0.7029 1.7588 1.3919 1.4188 1.2799 1.5461 1.8546 2.3768 2.4830 0.6931 0.6048 2.2478 1.0322 0.7938 1.5459 3.4842 1.1295 1.4824 0.4968 0.6344 1.9822 0.8738 1.9690 0.4051 3.0298 0.7659 2.1272 0.8307 2.9314 2.2018 0.5358 1.0733 0.8754 0.7225 0.6324 0.6749 0.4992 0.4929 0.4946 0.6666 0.9700 1.2098 0.9598 0.7213 1.0930 3.3795 0.9590 1.6873 2.2779 0.9531 1.8537 1.0511 0.4919 0.6130 0.8169 1.0218 0.8479 0.7028 0.6238 1.2190 0.9087 0.6736 0.4688 1.1536 1.1227 1.6640 0.8313 0.6793 1.4050 0.9201 0.6680 0.9221 0.8388 1.3219 0.6258 caproate (6:0) 0.8660 0.8037 1.0518 0.8261 2.4436 2.7606 1.0626 2.4541 1.0205 2.5837 0.4768 0.8693 0.7387 0.9624 2.4332 0.7597 3.6643 2.1561 0.3121 1.8026 0.7923 2.7054 0.3838 1.1360 2.4249 0.9236 0.3003 2.8186 0.6214 0.7837 1.1178 1.1605 1.0038 0.5510 0.9962 1.0908 1.0950 0.5008 1.2826 2.8339 1.8968 4.3396 0.4073 0.8800 0.8539 0.8319 0.8340 2.9761 2.9996 1.1772 0.3859 1.0496 0.2805 1.3708 1.0089 0.8439 0.7743 1.5070 0.6965 6.0451 1.1973 0.3725 1.1307 1.4617 3.2936 0.9470 0.7374 2.5089 4.8793 0.3860 1.0622 1.1550 0.8477 0.6658 0.5892 0.4082 0.8337 1.1491 0.9679 2.5734 0.7986 1.1534 0.7580 1.0043 2.1948 0.7100 0.9913 0.6869 0.9010 0.6772 0.8445 1.3066 0.7018 0.9326 1.1106 0.7720 1.6131 1.2986 0.4551 2.6344 1.1851 0.7457 1.1783 0.7036 1.1899 0.4626 caprylate (8:0) 1.9055 0.6023 1.7265 2.2852 1.9044 1.9460 1.0340 0.4256 1.3366 1.6213 0.7389 0.8448 1.4338 0.7235 1.0050 1.5911 0.7285 1.3180 0.5131 0.9454 1.2783 0.7354 0.8020 2.2307 1.0880 0.9834 1.4766 1.7294 0.8445 1.4461 1.4526 1.0637 2.2180 1.3691 1.6914 1.2762 1.3336 1.6849 2.5249 1.7059 0.8888 0.7600 2.2183 0.7358 0.7181 1.5418 2.0599 1.1849 0.9475 0.5872 0.8406 1.1399 0.8905 1.8299 0.8380 2.9022 0.9391 1.8542 0.8996 3.7218 2.1814 0.7406 0.9697 0.9979 0.7696 0.4965 0.7855 0.5797 0.6200 0.6879 1.0512 1.1683 1.1868 0.7710 0.6601 0.8361 2.1603 0.9862 0.7935 1.4499 0.8602 1.7076 1.1330 0.6907 0.6061 0.7873 0.9612 1.0288 1.2483 0.5669 0.9638 0.6400 0.9349 0.4744 1.1367 1.0021 1.8878 0.6613 0.4332 0.8433 1.2627 0.8588 1.0104 0.7607 1.4329 0.6142 carboxyethyl-GABA 1.0304 1.1240 1.0016 1.2859 1.2204 0.9712 0.9907 0.8827 0.9611 1.1280 1.0444 0.9820 1.4360 0.8265 1.2593 1.1337 1.1361 1.0989 1.2672 0.8178 1.0367 1.0132 1.0112 0.9191 0.6051 1.0701 1.2540 1.2683 0.8031 1.0140 1.4501 0.9065 0.7768 1.2917 0.9601 1.0338 0.9076 1.2432 1.0430 0.9704 1.0952 0.8638 0.9107 0.9404 1.0075 1.0488 0.7321 1.1037 1.1474 1.0235 1.0947 1.0546 0.5188 0.9672 0.5188 1.1811 0.7523 1.1887 0.6846 0.8685 1.0717 0.9049 0.8063 0.8979 0.7691 0.9618 0.8091 1.2248 1.0629 1.2004 0.8743 1.0147 0.9656 0.6806 1.2634 0.7377 1.1166 1.4433 1.2291 0.6893 1.0000 1.0139 1.2343 1.1552 0.8785 0.8607 0.8841 0.5188 0.9455 1.3106 1.1117 0.9225 0.8550 0.5188 0.8792 0.6385 0.8280 0.9264 0.8523 0.7597 0.8449 0.8159 1.0558 0.7752 1.3451 0.9299 carboxyibuprofen 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 1.0935 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.9956 0.4229 0.2607 0.2607 364.9221 0.2607 0.3912 0.2607 0.2607 0.2607 0.2607 0.4779 0.2607 0.2607 0.2607 0.2607 272.9702 210.9680 0.2607 0.2607 0.2607 0.2607 0.2607 0.4975 0.2607 0.2607 1.3794 0.2607 0.2607 0.5769 0.2607 0.2607 0.2607 0.2607 0.5592 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 4.0979 0.6427 0.2607 0.2607 0.2607 59.4346 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 265.1542 0.2607 0.2607 1.0044 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 0.2607 5.8928 0.4501 109.7810 0.5699 0.2607 carnitine 1.2186 0.8053 1.1000 0.8836 1.0253 0.9810 0.7321 0.9101 0.9449 0.5827 0.8825 1.1579 1.1687 0.5096 1.2475 0.7883 0.5979 0.8671 1.1655 0.9456 0.8031 1.0280 0.9588 0.9523 1.0815 0.8183 0.9368 1.0256 0.8510 1.1550 1.0391 1.2363 1.1151 1.1272 0.8868 0.7497 1.0656 1.1611 0.9569 0.7452 1.0115 0.9638 1.0641 1.0424 1.2361 1.0133 0.3449 1.1649 0.9536 1.1048 0.9934 1.0915 1.2345 0.7123 0.8838 0.8768 0.9045 1.0066 0.8627 1.1543 1.0076 1.1011 0.7010 0.7463 0.8836 0.9138 1.2592 1.3422 1.0320 1.0872 0.8985 0.9548 0.8052 0.6739 0.7714 0.8298 0.8841 1.0156 1.0206 0.9441 1.0930 1.1152 1.3500 1.3145 0.7622 0.8769 0.9814 0.9713 1.0200 0.7265 1.1637 1.1459 0.9549 1.5368 1.2283 1.0828 1.2119 0.9069 1.0144 0.8453 1.1588 1.1378 1.1941 0.8448 1.2452 1.3455 carnitine of C10H14O2 (5)* 1.2589 0.6195 1.6008 0.6652 0.4722 0.6012 0.7538 0.8293 0.6063 0.5547 1.2067 1.0114 1.3295 2.1522 1.4273 2.1486 2.4172 0.7873 2.0267 0.9558 1.0592 1.1513 1.2094 0.3129 1.6595 0.4854 0.4220 0.3026 3.7807 1.1611 0.7863 1.8004 1.5394 2.0743 0.9156 0.6462 0.3026 2.2241 1.4935 0.9850 0.7398 0.3318 0.8634 0.4560 0.3026 0.4201 0.3026 0.4823 1.5914 1.9255 0.3026 0.3026 0.3026 1.8362 0.8721 1.0172 0.5121 0.3026 1.2551 0.6818 0.7455 0.4867 0.7016 0.6137 0.6558 1.4821 0.9851 2.4531 2.4930 0.3026 1.7353 1.8480 2.2857 0.7668 1.2970 2.0002 0.3026 1.4174 1.0000 1.0265 0.4859 0.7943 1.1820 1.2405 0.8227 0.6604 0.6125 0.7420 1.5912 2.1728 0.8456 1.3477 2.6339 0.8466 0.6133 0.7025 1.5851 1.4724 0.3026 0.6972 1.3485 0.3026 0.7097 0.6544 1.5314 1.3223 carotene diol (1) 1.0675 0.5811 2.3166 3.7086 0.9504 0.7205 1.2104 0.4526 1.7432 0.8950 2.1487 0.4553 0.8720 0.5249 0.7627 0.7699 1.2834 1.7518 1.0367 1.2209 0.8281 0.9569 0.9370 0.6632 0.7656 1.0771 0.7052 1.0389 0.5655 0.8942 2.2007 0.5574 1.3154 0.6102 1.0031 0.5175 1.7314 0.8268 1.0542 0.6441 2.6226 0.9190 1.0015 0.4533 0.3012 1.0837 0.8056 1.2651 0.6591 0.8017 1.3373 0.4274 1.9959 3.0806 0.6241 0.5503 0.4585 1.2422 0.8442 2.7740 1.1155 1.1408 1.1157 0.9147 1.3054 1.9228 0.5255 1.3014 0.8319 0.9872 1.3977 1.7870 0.9917 2.3165 0.8319 1.3193 0.7230 1.6295 0.5097 0.5283 1.5768 1.1995 1.5008 1.3166 1.4826 1.1752 0.9985 0.4549 0.9970 3.1067 0.3154 0.7016 0.6436 0.6609 0.6046 0.3889 1.3291 3.1079 1.8449 4.4259 1.0295 0.7655 2.1586 2.0025 1.2856 4.6752 carotene diol (2) 1.1491 0.6317 2.7881 3.3555 1.2962 0.7477 1.2116 0.4354 1.6572 0.9990 2.8049 0.6010 0.7717 0.5911 0.8670 0.8159 1.3685 1.7802 0.8878 1.5590 0.9440 1.1085 0.8589 0.9225 0.9373 1.0931 0.8251 1.0909 0.6794 0.9027 2.3563 0.6530 1.5931 0.7298 1.0959 0.5518 2.5903 0.9428 1.1088 0.6822 2.4455 0.9284 1.0106 0.6180 0.2381 0.8309 0.8759 1.5150 0.8998 0.8163 1.1073 0.6359 2.4701 3.2105 0.5894 0.6405 0.5043 0.8730 0.9723 1.8681 1.1135 1.2651 1.1126 1.0010 1.3175 2.0202 0.6918 1.1371 0.7428 1.0103 1.3152 1.1435 0.9242 2.5614 0.8239 1.5562 0.7240 1.6977 0.5278 0.6208 1.3117 1.0073 2.0284 1.4659 1.2299 1.1646 0.8298 0.6700 0.7331 2.5721 0.6082 0.7074 0.5731 0.6604 0.5873 0.4529 1.0450 2.5999 1.7624 4.8874 0.8896 0.8709 2.3944 2.6478 1.6436 4.1688 carotene diol (3) 0.9778 0.7795 1.8506 2.1336 0.9961 0.4593 1.1465 0.4300 1.7968 0.8670 2.2733 0.5048 0.6865 0.3974 0.4967 0.5651 1.0284 1.8087 0.4060 0.7764 0.6641 2.5314 0.7503 0.4947 0.8248 1.0000 1.2560 1.1133 0.2748 0.5653 3.1751 0.5105 1.6933 0.5300 0.5872 0.2877 3.0374 0.6427 1.0131 0.7523 1.4802 0.9018 0.9840 0.3630 0.2748 0.2748 0.4548 1.0242 1.4828 0.9636 1.5399 0.3440 1.9085 1.7421 0.4708 0.6676 0.2748 1.1936 1.1090 4.3175 1.3987 0.9805 1.0558 0.6895 1.0653 2.8087 0.5328 1.2910 0.8562 1.4767 1.7039 1.7009 1.2345 1.3736 0.7307 0.9997 1.0644 1.1827 0.5958 0.3807 1.8998 2.2177 1.5517 1.4586 1.2061 0.9676 1.5226 0.5567 0.8521 3.4518 0.2748 0.5795 0.2808 0.4776 0.2748 0.3074 1.4398 3.0161 1.5460 4.8957 0.5698 0.6230 2.1217 3.4880 1.8592 4.3970 catechol sulfate 0.8960 1.1416 1.3398 0.9432 0.2774 0.2755 1.0482 0.3635 1.3498 1.2307 2.2453 0.8472 1.0754 2.6704 1.4884 0.8441 2.4610 1.5320 1.4465 2.1020 0.6406 1.0503 1.2918 0.7790 0.4654 0.8759 1.3337 1.8963 0.8981 0.6833 1.2864 0.6701 2.4123 2.0347 0.8336 3.0195 1.9003 1.6734 1.3966 0.5726 0.4126 1.1177 0.7502 0.4675 0.5500 2.2812 0.7658 0.4904 0.8892 0.9992 0.8238 0.1015 1.4743 1.0981 0.7985 0.7895 0.6532 1.0008 1.3976 1.0918 1.5141 1.1576 0.1424 0.3398 1.5096 2.2481 1.6481 0.5156 1.2141 1.5042 0.5812 0.9557 2.5711 0.3899 0.6698 0.7850 0.6120 1.9491 1.7030 0.4505 1.3829 0.5400 1.1666 0.7577 0.9472 1.3892 0.2966 0.3914 0.5940 1.6263 1.2043 1.1990 0.3476 0.6254 0.3701 0.8805 0.3917 1.1270 1.1580 1.8941 0.7682 0.8542 2.1278 0.3860 1.5506 3.0392 ceramide (d16:1/24:1, d18:1/22:1)* 0.9285 1.2479 0.6352 1.0099 0.8058 0.8872 0.8840 1.3785 1.3932 0.9150 0.9039 0.7752 1.7268 0.5781 0.9851 0.8091 1.6294 1.3799 0.5259 1.0407 0.6677 0.9901 0.6268 1.2349 0.7438 1.2595 0.5305 0.8638 1.3448 1.1550 0.7107 1.4075 1.1465 0.9352 0.6481 0.9490 0.6566 0.8083 0.6433 1.1912 1.1078 1.1427 1.2890 1.0516 1.0106 0.9759 1.4296 0.8673 1.0371 0.6106 1.2199 0.6318 1.1502 1.0273 0.6082 0.8717 0.6663 1.1809 0.7680 1.4023 0.7671 0.7006 1.1697 0.8880 0.9762 0.8761 1.2252 1.0799 1.1498 0.7092 0.9297 0.9798 1.5825 1.3871 1.1566 1.6807 0.7321 0.8161 1.3340 1.1879 1.4222 0.8855 1.1211 1.2060 0.7537 1.0494 1.2937 0.7304 1.5500 2.0053 1.1684 0.6569 0.8288 0.7663 1.3784 0.7774 0.7897 1.3039 0.5552 1.3402 1.2260 1.0355 1.2734 1.3946 0.7650 1.7135 ceramide (d18:1/14:0, d16:1/16:0)* 0.8957 1.2740 0.9039 1.4322 1.0385 1.1699 0.7116 0.9233 1.2267 1.5139 1.5551 0.7668 2.0981 0.8993 0.6756 1.1897 1.0512 1.1469 0.4320 1.1067 1.0043 0.8454 0.6287 1.7681 0.7134 0.9697 0.7975 0.6742 1.2578 0.9667 0.6542 1.0481 1.3049 0.8123 0.8108 1.2525 0.9044 0.7103 0.6725 0.9458 0.7452 0.9558 1.4031 1.2062 1.0881 1.1136 1.8942 0.9804 0.7965 0.5780 1.0731 0.7991 1.3127 1.5065 1.3363 0.7061 0.9871 1.1674 1.1501 1.5971 0.8750 0.8054 1.6089 1.2241 0.9318 0.8659 1.3386 0.9957 0.8329 0.9066 0.7344 1.1774 1.6151 1.4438 0.7298 1.6161 0.9162 0.8080 0.9843 1.4943 1.5755 0.6106 1.1655 1.1909 0.5176 1.0854 1.4295 0.4725 1.0315 1.2957 1.3234 0.7449 0.5833 0.9014 1.3938 0.8508 1.3153 1.0224 0.9440 1.7643 1.5807 0.7154 0.9290 1.5604 0.6797 1.3299 ceramide (d18:1/17:0, d17:1/18:0)* 0.8073 1.6179 1.1813 0.9580 0.5692 1.5890 0.6152 0.8489 1.0536 1.0896 1.0670 0.8464 1.5850 0.7015 0.5690 1.0875 1.5452 0.9850 0.5362 0.7694 0.8497 0.4727 0.6041 1.4558 1.1442 0.6528 0.5114 0.7544 1.1323 0.9035 0.6210 0.9621 1.6222 0.3547 0.9532 1.1450 0.5273 0.4754 0.7270 0.9733 0.8734 1.1198 1.0232 1.2224 1.0589 0.7152 1.4627 0.6792 0.8927 0.8057 0.5264 0.3458 1.4096 1.2950 0.8222 0.7244 1.1382 1.4847 0.9485 1.2572 0.7632 0.7058 1.2044 1.0762 1.5960 1.0150 2.0718 1.5688 1.2018 0.4504 0.4724 1.9395 1.2179 1.2738 1.1222 1.1886 0.5912 0.7202 1.4149 1.3605 0.8033 0.8968 1.1011 1.5960 0.5612 1.7802 1.4010 0.4332 1.1537 1.4481 0.7548 0.6102 0.8552 1.0667 1.0268 0.4463 1.1118 1.3500 0.3458 0.6129 1.2281 0.3822 1.1336 1.9985 0.3458 2.1067 ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* 0.8149 1.2794 0.8050 1.0083 0.6869 1.2186 0.7058 1.2352 1.1295 0.9969 0.7880 0.7624 1.1505 0.9464 0.8140 1.0031 1.4753 1.0247 0.5495 0.7704 0.7709 0.9439 0.6930 1.0890 0.8932 0.7619 0.6862 0.5070 1.0821 1.1459 0.6228 1.2573 1.1429 0.8501 0.7181 1.1655 0.9274 0.9182 0.7564 0.7685 0.6999 1.1210 1.0803 0.9874 1.2685 0.8475 1.4005 0.7761 1.1060 0.7736 0.9893 0.5900 1.0962 1.3333 0.8709 0.8061 0.8210 1.2443 0.9867 1.1270 0.8944 0.7778 1.3453 0.9470 1.2827 1.0419 1.3149 1.6269 1.0564 0.6945 0.8746 2.0068 1.2953 1.4748 1.1772 1.4426 0.6481 1.0039 1.0046 1.1673 1.1666 0.9028 0.9964 1.0886 0.8143 1.1917 1.3731 0.8955 1.5723 2.0258 0.9529 0.7448 1.2043 0.9354 1.2490 0.6582 1.2043 1.1575 0.6305 1.2500 1.4132 0.8930 1.2658 1.7290 0.5515 2.0010 ceramide (d18:2/24:1, d18:1/24:2)* 0.8108 1.3607 0.5921 1.0649 0.7693 1.1831 0.8931 1.1176 1.2724 1.2252 1.0406 1.2537 1.2067 0.4450 0.9791 0.6459 1.4534 1.3503 0.4381 1.2044 0.7513 1.0735 0.5517 1.3034 0.8047 1.0700 0.7332 1.1520 0.6084 1.3988 0.8414 0.9823 1.3515 0.9845 0.6561 0.8515 0.5550 0.8810 0.7728 1.0569 1.4326 0.9991 0.8300 1.0009 0.7817 0.7103 1.0810 0.9412 1.1654 0.6269 1.3716 0.5585 1.4847 0.9336 0.6484 1.0058 0.8554 0.9340 0.7599 0.7936 0.6495 0.5928 1.1971 0.9546 1.0623 0.9947 1.2854 1.1703 1.4456 0.8195 1.2566 1.2806 2.0376 0.8217 1.1175 1.6831 0.7144 1.0699 1.2711 1.5785 1.1901 1.1095 0.9882 0.9794 0.6760 1.3011 1.1281 0.7466 1.7379 1.8881 1.1415 0.5603 0.8956 0.8089 0.8594 0.6149 0.9101 1.3616 0.6128 1.4344 1.5591 1.1319 1.3707 2.1889 0.8872 2.9192 cerotoylcarnitine (C26)* 0.8528 0.4375 0.5160 0.4440 0.6749 1.5810 0.7321 0.3813 1.6704 0.5867 0.3467 1.1155 1.8304 0.6893 0.7134 0.6863 1.2823 0.6598 0.6031 1.4571 0.7883 0.7423 0.5181 1.4769 0.7059 0.2603 1.2197 0.5574 1.0002 0.9251 0.3735 0.7773 1.0766 2.4056 0.8435 0.5818 1.0753 0.9998 0.6335 1.1468 0.9588 0.5464 0.9836 1.1028 1.1423 0.8298 0.6197 0.8556 1.7373 0.8805 1.5668 0.9129 1.7252 0.7817 0.5284 1.1504 0.7996 1.7071 1.2016 0.7152 1.5023 0.9276 1.3824 1.3405 0.7947 1.1875 0.7976 0.9094 1.2813 0.9605 1.7830 2.3240 2.2497 0.7606 0.7425 1.4964 0.6990 1.0344 0.4019 1.2469 1.3810 1.4146 1.3452 0.8174 1.0910 1.1586 0.9888 1.1862 0.9247 2.5531 2.0298 1.2759 0.5835 0.9244 1.0387 1.0073 1.9181 1.8708 1.1568 1.7894 2.2216 1.2611 2.0437 1.1400 1.7216 1.8392 cetirizine 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 1.0144 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 0.9856 chenodeoxycholate 1.0783 0.5360 0.9803 1.8089 0.7636 1.0197 1.8400 1.0520 1.1004 0.6062 0.5264 4.9225 7.1555 3.1881 1.1616 0.8873 0.4415 0.4895 5.2754 1.8155 0.7395 1.6620 0.6207 3.9328 1.8058 0.6668 1.9838 9.6779 0.2774 1.0831 2.0687 3.3548 0.4751 2.1339 1.1762 1.2963 1.1828 1.2362 0.5048 0.6887 0.6526 0.2747 0.8309 0.3187 0.6660 0.3091 1.1057 0.5522 0.3537 0.8084 0.5527 2.8415 0.6680 4.0067 1.0448 1.5650 1.1432 0.2026 1.2451 0.7532 1.4690 0.6451 0.2379 1.4404 0.5183 1.8954 1.2936 0.5469 0.4899 0.7944 0.6366 0.3430 2.8657 0.2026 1.1721 11.3141 0.8625 0.4827 0.8204 0.2026 3.5819 0.9605 0.3642 2.9981 1.6148 0.2319 0.5986 1.1004 0.8161 3.1622 3.9212 0.9560 2.7025 0.4418 1.4593 0.8204 3.5969 1.4335 1.0539 0.6798 0.4377 0.3818 0.8757 0.7651 3.5718 1.1688 chenodeoxycholic acid sulfate (1) 0.3862 0.6800 1.7050 0.3862 0.8119 0.3862 1.0000 1.3208 0.3862 0.6959 0.3862 2.4024 2.1646 0.3862 0.5616 1.4894 0.3862 0.4277 8.8918 0.3862 0.3862 0.4506 0.3862 0.3862 2.0928 0.3862 0.4048 0.8408 0.3862 0.3862 1.7302 0.8951 0.6888 0.5117 1.7527 4.2836 0.7248 0.3862 1.7740 1.2486 0.3862 0.3862 0.6741 0.3862 3.0640 0.3862 0.3862 0.5363 1.5040 0.3862 1.3425 2.0638 0.3862 1.0042 0.3862 0.7821 1.7785 8.7640 0.8832 0.3862 0.3862 0.3862 1.0647 0.3862 0.3862 0.3862 1.0073 0.4128 0.3862 0.6137 0.7607 0.5091 9.8761 0.3862 0.3862 4.3610 1.0600 0.3862 0.3959 0.3862 0.3862 0.5262 0.3862 0.3862 1.5699 0.3862 0.7072 1.5279 0.8595 0.6894 1.0770 0.4206 0.7158 0.6483 1.8769 0.3862 1.9287 0.3862 0.3862 0.3862 1.9218 0.3862 0.3862 0.3862 0.5426 0.3862 cholate 2.2559 0.1880 0.7504 14.3489 1.6165 0.3734 3.5188 0.5051 1.2689 0.6063 0.2046 18.2629 28.4451 6.8299 1.5157 0.4240 1.0500 0.4043 44.5841 9.9928 0.2514 5.8313 0.4064 7.2872 1.0301 1.2409 6.4070 37.4686 0.3020 0.5605 2.4760 13.8347 0.3288 8.3798 0.8486 1.0960 0.7773 1.7586 0.3186 3.4328 1.0000 0.2360 0.3573 0.1096 0.7256 0.3060 0.6352 0.3324 1.2227 0.7454 0.2998 2.6320 1.6608 29.4589 1.7169 1.0352 1.0575 0.4565 0.3386 0.9224 5.8586 0.4105 0.2169 0.6498 0.3283 19.5740 1.1022 0.6956 0.1096 0.7957 0.6319 0.9779 2.2776 0.8767 0.4501 2.2274 0.7767 0.4869 1.1337 0.4363 15.8660 3.6837 0.9692 16.7785 1.3624 0.4432 1.4133 0.8134 0.4333 7.5329 1.2305 1.0684 0.8942 0.3323 0.5594 0.3020 9.4382 5.8142 2.9737 1.4089 0.5991 0.3876 0.7103 3.5045 5.3704 5.5685 cholesterol 0.8422 1.3474 0.7567 1.2351 1.3812 1.0678 1.0265 0.8937 1.2841 1.5517 1.0354 1.0802 1.2263 0.6922 1.2576 0.8272 1.0235 0.9130 0.6943 1.0701 0.9294 0.8891 0.7333 1.0741 0.6550 0.8231 0.9928 0.7169 0.7261 1.0961 1.2150 1.0058 1.3552 0.8605 0.6947 0.8260 0.9465 1.2672 0.9011 0.9209 1.3005 0.9929 0.9942 1.0485 1.0872 0.9469 0.9502 1.1544 1.0151 0.8428 1.1965 0.9343 1.3197 1.2957 0.9855 0.7657 0.7834 1.1881 0.8941 1.0398 0.8650 0.8641 1.0932 0.9372 1.0065 0.9883 0.7961 1.0295 1.3510 0.7415 0.8804 2.0137 1.5069 1.1169 0.8869 1.6999 0.9420 0.8556 0.7516 1.0837 0.8803 1.3111 1.0466 1.1259 0.8990 1.0298 0.9371 0.8476 0.8960 1.5402 1.0646 0.8353 0.7073 0.7578 0.9829 0.6732 1.1047 2.0612 1.1015 1.4237 1.0891 0.9715 1.5018 1.6612 1.0847 2.5577 choline 1.2547 0.9892 1.5314 1.2033 0.9796 0.7580 0.7393 1.4871 1.0231 1.6799 1.3175 1.1791 1.3107 0.9022 0.9325 1.3441 0.9985 1.2303 1.2605 1.0730 0.9496 0.9779 0.9307 1.0252 0.8874 1.6255 0.7510 1.1975 1.0879 0.6581 1.1941 1.1923 0.8806 1.1624 1.0229 0.8326 0.8323 0.8708 1.2183 1.0047 0.7293 0.9742 0.8723 1.0378 0.8418 1.0308 0.9582 1.2448 0.8324 0.9069 1.0892 1.1913 0.7125 1.0046 1.0643 0.8106 0.6312 1.1300 1.1710 1.3170 0.8052 0.9839 0.8435 0.9811 1.0107 0.9147 0.9476 1.0623 1.1804 1.0308 1.2192 1.1634 0.9422 1.0440 0.9536 1.0651 0.4103 1.1248 1.2096 0.6959 0.8339 1.3537 0.9852 1.0907 1.0651 0.6365 0.8607 0.7112 0.9326 1.1130 1.1651 0.8003 0.9307 0.9804 0.9498 0.6202 1.2309 1.0015 0.8295 1.0444 1.1834 0.8385 0.8018 0.8097 1.2164 0.9769 choline phosphate 1.0257 0.7090 0.3964 1.0334 0.8426 0.8982 1.3092 0.8774 1.3185 0.7189 0.5249 0.8016 1.0154 2.0878 0.6686 1.0268 1.1311 0.7843 1.1655 0.7144 0.9482 1.3817 0.6511 1.0794 0.8172 1.3106 0.9916 0.6754 0.9482 0.8274 0.5965 1.0802 0.8311 1.0434 1.1982 1.0106 0.9051 1.4627 0.7313 0.7460 0.8388 1.0071 0.9622 0.7422 1.0847 0.9513 0.6778 0.6143 1.3436 0.7020 1.0515 1.0003 0.8408 1.8278 1.0165 0.7084 1.2841 1.2860 1.1552 0.8098 1.1189 0.8082 1.1178 0.9997 0.8604 0.7693 0.6755 1.7826 1.2151 0.6077 1.0437 1.1075 1.4363 0.6538 0.9553 1.1034 0.6570 0.7537 0.8960 1.1198 0.9100 1.3616 1.1399 1.5918 0.9606 0.6756 1.4171 1.3112 1.6244 1.0016 1.2054 1.2304 1.4864 1.0513 1.7679 0.8869 1.3982 1.3824 0.8815 0.7575 0.9799 0.7714 1.0193 1.3061 0.9719 1.8531 cinnamoylglycine 0.5471 1.9420 1.0147 0.5529 0.9748 0.3203 2.2028 0.4006 1.3869 0.7816 2.4625 0.9037 0.4679 1.6436 1.3398 1.5229 0.0662 1.0567 0.3092 2.8206 0.7084 0.6544 1.9219 0.8523 0.1106 0.5974 0.9840 1.1452 5.8196 0.7665 2.5639 0.2018 1.3857 6.2596 0.4748 1.3237 0.4024 0.6794 0.5986 0.4821 3.0822 1.4525 0.4683 0.6663 0.0631 0.6123 0.2463 0.0697 0.0888 1.4391 0.6193 0.4727 1.6708 0.9853 1.0794 0.9216 1.5706 0.7512 0.8024 0.7946 1.7463 0.7171 1.3665 0.8609 1.7093 0.9258 5.8696 0.0252 2.4574 2.0013 0.0241 0.0308 1.1454 1.4079 2.4665 1.9261 0.8040 5.6881 1.3380 0.1048 1.1856 2.5457 1.1248 1.4822 1.2198 5.5456 0.4479 0.0699 0.0494 0.0635 1.8019 1.9971 0.0710 0.2839 0.6427 2.2760 1.1006 1.7416 0.8367 3.0869 1.9012 1.4363 2.2071 1.7130 2.3364 3.5984 cis-4-decenoate (10:1n6)* 1.4563 0.9154 0.5046 0.3137 0.9506 0.8747 1.4779 0.1879 0.6505 0.2224 0.3869 1.7158 1.2091 0.6698 1.3353 1.0004 0.9232 1.0100 0.6390 0.6713 1.1343 0.3877 1.0291 0.8768 0.6173 0.5007 0.4322 0.8227 1.5961 1.5518 0.9404 1.3840 0.4668 0.7674 0.6626 1.0332 1.6806 0.4553 1.3259 1.0391 2.2744 0.5136 0.9798 1.4230 0.5049 0.6080 0.4468 0.8717 1.4929 0.6066 1.1409 0.3502 0.3961 1.0563 0.3074 0.5509 1.4872 0.4638 0.8045 0.9898 1.1379 0.8709 1.1686 1.6569 1.2585 0.7627 1.1680 0.9736 1.5485 0.7799 1.8461 1.3276 1.8822 0.9996 2.5545 1.4091 0.6697 1.5033 1.0620 2.0320 0.7268 3.2849 1.3020 0.8609 0.8223 1.6504 1.1373 1.7193 1.4615 0.4625 1.1548 1.3994 2.4770 0.6575 1.2711 1.4033 2.5289 1.9420 0.1773 2.1292 1.2987 1.4754 0.9266 0.8621 1.2895 0.3004 cis-4-decenoylcarnitine (C10:1) 0.9052 0.3960 0.6155 0.2946 0.3225 0.7745 1.3879 0.2615 1.2105 0.1426 0.4271 0.7909 1.1158 0.7964 0.4880 1.0566 1.4738 0.4043 0.9296 0.9619 1.5971 0.3968 0.5614 0.4980 0.6634 0.2383 0.5059 0.3928 1.2743 1.9183 0.4663 0.5810 0.7973 1.2915 0.8376 0.4459 1.2321 1.7147 0.8147 0.5569 1.4344 0.4830 0.7985 1.2902 0.7412 0.3802 0.2210 0.9135 1.6575 0.9250 1.5904 0.6532 0.9704 1.8839 0.3406 0.7083 0.9252 1.2624 0.9198 0.9631 1.1423 1.1101 1.1288 1.7992 0.9650 1.2902 1.2125 1.3009 1.4132 1.4667 1.3213 1.2921 1.8697 1.2293 1.1906 0.9366 0.2019 1.3994 1.0232 1.1344 0.9834 2.2242 1.3807 1.4412 0.6261 1.5238 0.9433 0.9809 2.5082 1.1420 1.6883 1.3353 1.1017 0.5361 1.5239 1.2896 3.3853 1.9283 0.2353 1.4643 2.3039 0.5633 1.3871 1.0166 1.3639 1.2865 cis-urocanate 1.6304 1.2310 1.2575 1.3023 1.0650 0.8717 0.6641 0.9316 1.1756 1.8045 0.6313 0.8436 1.3493 1.3932 1.0225 0.6839 0.7949 0.9374 0.6842 1.6249 1.2880 0.8968 0.4308 1.6651 0.7804 0.8701 1.0236 1.1379 1.2827 0.8510 0.7302 0.9321 1.1203 1.2278 0.7048 0.4308 0.8713 1.1402 1.2958 1.5936 0.8196 0.8277 1.4675 0.8775 1.2377 0.9226 1.3100 1.0100 1.1986 1.0146 1.0239 1.2048 1.2611 1.1843 0.9900 1.4936 1.8513 2.0487 1.2202 0.9245 0.9088 1.4882 1.0948 1.0419 0.7439 0.8910 1.0403 1.0811 0.7055 0.7722 1.0559 0.5955 0.8286 2.1884 0.9900 1.0583 0.5712 0.8103 1.0604 1.3234 1.2462 0.4308 0.9598 0.9596 0.4308 0.9342 0.9670 0.8432 1.0836 0.6109 0.7726 0.8504 1.1176 0.7299 0.9542 0.9540 0.9815 0.5115 1.0601 0.8503 0.8090 1.0268 0.9892 1.2539 0.4308 0.9174 citalopram N-oxide* 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 1.0000 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 1.3606 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 0.4109 citalopram propionate* 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 1.6120 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 1.0000 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 0.4288 citraconate/glutaconate 2.3274 1.4659 3.1123 0.4661 0.4240 0.3356 1.3632 0.3469 0.8382 1.3121 4.6341 2.7536 2.5113 5.0352 6.6609 2.8603 4.5613 2.8883 3.6250 1.2160 0.5994 0.6281 6.0966 1.4850 2.7232 3.8955 2.6408 2.8284 0.8483 1.3210 1.2344 3.0276 2.8399 1.9190 2.7826 2.9094 0.5513 6.5816 3.3447 1.7341 0.2971 0.6433 3.1748 0.9987 2.2389 11.1926 1.8432 1.5235 0.6316 2.1746 2.2714 0.3467 2.9211 1.7730 0.6628 1.8943 0.3386 2.1910 6.2839 0.5809 3.3067 4.7873 0.3359 0.3586 0.4877 0.7048 1.3712 0.6738 1.1062 0.3668 0.3021 0.3861 1.4516 1.0013 0.6663 0.4536 0.5071 0.8926 0.8479 0.3579 0.4544 0.3366 0.5308 0.5269 0.8774 0.8508 0.4043 0.4655 0.3457 1.5102 1.1827 0.4826 0.3294 0.4340 0.2833 0.5872 0.4975 0.5044 0.5249 0.3861 0.4158 0.3525 0.4971 0.3426 1.1125 3.4788 citramalate 0.6604 0.9912 2.2021 0.7744 0.3979 0.8064 0.9259 0.5438 0.8942 1.2970 1.6663 1.3369 1.0702 2.5129 1.6568 0.2925 1.9151 0.8058 1.0855 1.3424 0.5463 0.4193 2.0911 1.3130 1.5392 1.2324 0.9863 0.9109 0.7303 0.5794 1.2743 0.6989 1.3651 1.2678 1.3039 1.8707 0.9057 2.1073 1.3041 0.7806 0.2455 1.1038 1.6411 0.9751 0.5750 2.2180 1.1351 0.7664 1.1019 1.9288 1.1806 0.3396 1.0946 1.3932 1.9744 0.7672 0.5961 2.4753 1.6012 0.5199 1.5326 1.9035 0.7993 0.6674 0.5640 0.8153 1.5464 1.4208 0.7279 0.6179 0.8134 0.8960 2.1016 0.1195 1.1159 0.7968 1.1714 0.8962 0.3683 0.2574 0.7699 0.4707 1.2444 0.9892 1.1998 0.9191 1.0380 0.7793 0.5235 1.3991 1.5081 1.1245 0.9194 1.2119 0.3849 1.4834 1.5561 1.0088 1.1352 0.9648 0.6751 0.5686 0.4865 0.6837 1.2003 1.8953 citrate 1.0541 0.8156 1.0708 0.7518 1.0305 1.1795 1.0268 0.9460 0.9337 0.8808 0.8753 0.9889 1.0122 1.1292 1.0995 1.0516 0.9170 0.8636 0.9922 1.2023 0.9460 1.0349 0.9979 1.0578 1.0386 0.9013 1.0552 0.8804 1.0561 1.1246 0.9999 1.0166 1.1222 1.0001 0.9878 0.9964 0.9238 1.0499 1.0094 1.1629 1.0537 0.9525 0.8643 1.0238 1.1046 0.7952 0.8981 0.9826 0.9773 0.9563 0.7916 0.9846 0.8905 1.2147 0.8632 0.9464 1.0088 1.2215 1.2402 1.0591 1.0874 0.9493 0.7784 0.8543 1.1579 0.9343 0.9033 1.1578 1.2233 0.8066 1.1952 1.1030 1.2093 0.8364 1.0423 1.1575 0.8875 1.2193 1.0242 0.9543 0.9933 1.0916 0.9760 0.8799 0.9247 1.0118 0.9330 0.9705 0.7561 0.8390 1.0606 0.9589 0.8560 0.8707 1.0469 1.1075 1.0705 1.2311 0.7878 1.1815 1.1233 0.9562 1.2256 0.8846 1.1543 1.1671 citrulline 1.3603 1.3593 0.5372 1.0043 1.2070 0.5012 0.8151 0.9091 0.9117 1.1924 0.6910 1.0815 0.4187 0.2821 0.9276 0.5831 0.9365 1.6402 1.2040 1.2187 0.4480 1.0323 0.6842 0.4362 0.4929 1.0195 1.3791 1.1489 1.3536 1.0011 0.6572 0.8716 0.4480 1.6896 0.3077 0.4752 0.7395 1.5069 0.8062 0.7374 1.1499 0.4353 0.8702 0.7600 0.8984 0.7853 0.7015 1.2708 1.1436 0.7043 0.8200 0.6124 0.7308 0.8889 0.5777 0.6112 0.5247 0.6744 0.8441 0.6098 0.8929 0.8223 1.0158 1.1042 1.2953 1.3492 1.2557 0.4222 1.3628 1.2073 0.9512 1.1458 1.2411 0.9423 1.0683 1.0545 0.7250 1.1307 1.1975 1.2440 1.0555 1.5407 1.0660 1.0751 0.9744 0.8243 1.1767 0.8506 0.9989 0.5714 1.4837 1.1061 1.0202 1.0892 1.0617 1.2884 1.0979 1.2598 0.9078 1.2855 1.2350 0.9690 1.2902 1.1588 1.6666 1.3525 cortisol 0.6082 1.0421 0.7485 0.1013 1.2482 1.0759 0.9006 0.6962 0.8760 0.8697 1.1615 0.9652 1.2296 1.2912 0.9438 0.6325 0.4293 0.7172 0.6758 0.8131 0.5686 1.0695 0.9994 0.7256 1.0412 0.6837 0.5619 0.9579 0.5573 0.7731 0.9178 0.9782 0.7554 1.0492 1.1818 1.1843 0.6703 1.1932 0.7151 0.8426 0.6676 0.9168 1.0555 0.7417 1.0160 1.5177 0.6969 0.4400 0.8748 0.9379 0.8325 1.6528 0.6798 0.9906 0.6321 0.6956 0.5962 0.7962 2.0525 1.1810 1.2771 1.3595 1.3418 1.1769 1.0081 0.9046 1.7476 0.8950 1.3956 0.8083 1.1687 1.7607 1.4475 0.3662 0.9014 2.1909 1.6359 1.6921 1.1968 0.6017 1.0006 1.1661 0.9524 1.0970 0.9463 1.3518 1.1526 0.9546 1.3819 0.2920 1.8271 1.1057 1.0820 1.3046 1.4279 1.1314 1.3089 1.2444 0.7479 1.6399 1.5149 1.0977 1.1929 1.7243 1.1163 1.5085 cortisone 0.8768 0.9835 0.7691 0.1523 1.6769 0.9763 0.5010 0.7105 0.6110 0.8219 0.9056 0.8526 0.9597 1.0606 0.8044 0.5902 0.4120 1.3581 0.7476 1.3203 0.6499 1.0718 0.8658 0.7488 1.1577 0.7472 1.0173 0.8588 0.8173 0.7139 0.9346 1.5989 0.6907 0.8494 0.8848 1.0467 0.8204 0.9966 0.4536 0.9563 0.9807 0.8983 1.1880 1.2665 0.9805 1.1458 1.1670 0.3997 1.0983 0.7602 1.0750 1.3427 0.4167 1.0172 0.5904 0.8224 0.2748 0.7617 1.1449 0.9464 1.1889 1.3813 1.1024 1.0222 0.5126 0.9498 1.1363 0.6991 1.1263 0.6615 1.2490 1.1317 1.3452 0.1523 0.8249 1.3430 0.9780 1.2658 1.1180 0.8808 1.1597 1.3962 1.1559 0.8978 1.0466 1.0278 1.2100 1.0396 1.3401 0.1523 1.1674 0.9606 1.2447 1.1494 1.0034 1.2066 1.3734 1.1926 0.6648 1.4898 1.0965 1.3534 1.1379 1.2088 1.0425 1.2357 cortolone glucuronide (1) 1.2300 2.0594 1.1580 0.3466 1.0238 1.3947 0.3466 0.3837 1.0254 0.8244 0.5745 1.7889 1.4200 0.9471 1.0966 1.6786 0.8768 0.7177 1.0372 1.0370 0.7698 1.1692 0.7390 1.2505 1.0459 1.3000 1.1246 0.5123 2.0044 0.5981 0.9084 2.6685 2.1718 1.6709 0.7569 0.6914 1.0500 1.0939 0.9034 0.5517 0.3954 1.3576 1.3684 0.9318 2.1094 1.2030 0.9712 0.3981 1.0218 1.2453 1.4583 0.8723 1.0222 0.9710 1.2065 1.1220 0.6642 1.4459 0.9181 0.6373 0.7292 0.9971 1.1770 0.9520 0.8821 0.8222 0.9567 1.0456 1.8473 1.7460 1.5697 1.5208 1.1781 0.3466 0.7984 1.2786 0.9030 0.6559 0.9766 0.9764 0.6503 1.1133 1.3933 1.7842 0.6851 0.6439 1.2782 1.0108 0.4771 0.3466 1.1668 1.0403 1.0579 0.9599 1.8582 1.0000 0.8550 0.9210 0.6297 0.6441 0.8628 0.8432 0.7705 0.5539 0.9622 0.8411 cotinine 0.0013 1.0237 1.8314 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 3.1956 0.0013 0.0084 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 1.0253 0.0013 0.0018 0.0013 0.0013 1.1367 0.0013 0.0013 0.0013 0.0013 1.4360 0.0013 1.1835 0.0013 0.2198 0.0013 0.9763 0.0013 0.0013 0.0013 0.0013 1.0537 0.0013 0.2189 0.0013 1.0424 0.0013 0.0013 0.0013 0.0013 0.0013 0.0058 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0068 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 1.2925 0.0013 0.0013 0.0013 0.0013 0.0013 1.0280 0.6808 0.0013 0.0013 0.0013 0.0013 1.3752 0.0230 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.0013 0.3270 0.0013 0.0399 cotinine N-oxide 0.2896 1.4637 0.8195 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 4.3614 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.4313 0.2896 0.2896 0.2896 0.2896 1.2784 0.2896 0.2896 0.2896 0.2896 0.6666 0.2896 0.4767 0.2896 0.2896 0.2896 1.1660 0.2896 0.2896 0.2896 0.2896 0.6060 0.2896 0.2896 0.2896 1.0000 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 1.2888 0.2896 0.2896 0.2896 0.2896 0.2896 1.4501 0.7950 0.2896 0.2896 0.2896 0.2896 1.0536 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 0.2896 creatine 0.7864 1.0561 0.8751 0.8233 0.7850 0.5959 1.6201 0.9091 0.6838 0.7717 0.4969 1.0194 1.7825 0.3329 1.0751 0.7422 1.8676 0.5922 1.9931 0.8707 0.5516 0.9209 2.1749 1.2209 1.3480 1.2539 0.8974 0.5885 0.4996 0.6417 1.4169 1.4162 2.2941 1.2589 0.5850 0.7152 0.9866 1.0134 0.9467 1.5730 2.0765 0.6387 0.8285 0.8185 0.6122 0.8036 1.5204 0.6074 0.5142 1.0514 0.4806 0.5229 0.8591 0.9273 1.4373 0.9133 1.5569 1.4522 0.8818 1.0337 0.7422 1.5830 1.4216 1.1347 0.8818 0.5674 1.6532 2.2669 2.5468 1.2382 1.3800 0.5115 1.1328 1.5855 1.3165 0.6382 1.4017 0.8483 1.1052 0.8759 0.6889 1.4811 1.6625 2.0030 1.3978 1.7018 1.0318 0.7465 1.9576 1.7381 0.7307 1.1884 2.2694 2.3881 1.4370 0.6721 1.2651 0.6000 1.1106 0.6248 0.7252 1.3166 0.6661 1.8020 0.3513 0.7589 creatinine 1.0170 2.0017 1.0008 0.8771 0.7676 0.8822 0.9187 0.9186 1.0611 1.0550 1.2541 0.9688 1.0151 0.9594 0.9998 1.1789 1.2529 0.9412 1.0479 1.0182 0.8791 1.0142 0.9545 0.9511 0.9428 0.9449 1.1221 1.0056 1.2473 0.8528 0.8905 0.8752 1.1295 1.4601 0.9111 0.8501 0.6232 1.1052 1.1841 0.8542 0.6880 0.9658 1.0660 0.9088 1.1720 1.1378 0.8826 1.0780 0.9505 1.3700 0.9857 0.7895 0.9050 0.9361 0.8672 0.9892 0.8505 1.2833 1.0543 1.1704 0.9834 1.0588 0.8930 1.1133 0.9185 1.1388 0.8625 1.0002 1.1846 1.2977 1.2180 1.1910 1.3171 0.6063 0.9206 1.0842 0.7326 1.3469 1.1415 0.8194 1.1125 1.0103 0.9549 1.0891 0.7232 0.8391 1.0744 0.6217 0.7882 1.0407 1.1263 1.0700 0.9131 0.8211 0.9521 0.8811 1.0312 1.1096 0.9319 1.1236 1.2409 0.8367 1.0407 0.8928 1.4309 1.3501 cys-gly, oxidized 1.4413 0.7107 1.1501 0.5776 1.1218 1.2751 0.9687 1.1283 1.4645 0.6850 0.7288 0.8247 1.2469 2.1714 0.4431 0.7145 0.6498 1.4790 1.0683 1.4157 0.6271 1.1578 0.7655 1.0407 0.7563 1.1118 1.6160 0.7226 1.4838 0.9045 0.7580 1.1037 0.9973 1.0770 1.2140 1.1604 0.7050 1.0730 1.0278 1.1431 0.5314 0.9303 0.9948 0.8621 0.8711 0.5978 0.7040 0.8631 0.7098 0.6635 1.0505 1.8044 0.7444 1.0467 0.4936 0.6039 0.8629 1.0463 0.6119 1.0368 1.0268 1.2609 0.7232 0.9030 1.6477 0.7013 0.7202 1.7731 1.4603 0.8833 1.3764 2.3882 1.4665 0.8091 1.9025 1.0027 0.7986 0.5261 1.1234 0.7379 0.7702 0.9380 1.0090 0.7731 0.6297 1.1282 0.7156 1.3755 0.9044 0.3681 1.0052 0.7470 1.9723 0.5505 1.3684 0.7659 2.7824 1.3987 0.8397 1.0743 1.5225 1.1316 1.1080 0.9283 1.7659 1.4322 cystathionine 2.7668 1.2264 0.6468 2.5150 0.2512 1.3584 0.3988 1.7141 1.4648 1.8279 4.6365 0.6173 0.7796 1.3546 0.5846 0.5451 0.9672 1.5925 3.5180 3.5819 1.1088 1.3509 0.7159 1.2200 1.1273 0.9884 0.5090 0.9957 0.4917 2.2767 1.1219 0.7214 0.9934 0.7604 2.4694 1.5620 2.0696 0.8513 2.8446 0.5449 0.9171 0.6464 2.6091 0.6106 0.6901 0.9942 1.1330 0.6293 1.4210 1.3727 0.9328 0.5021 4.7869 4.2673 4.0520 1.7999 0.5509 1.2932 1.4292 8.2553 1.9967 0.6894 1.2354 0.5222 0.6555 10.4971 1.0043 2.0131 1.5850 1.0349 1.3657 0.4894 0.5076 2.5365 0.4406 0.5545 0.3715 0.5145 2.9311 0.2767 0.4357 4.7565 0.3605 0.5333 1.1662 0.8643 1.0445 0.5163 9.0949 1.5828 1.0187 0.5476 0.7925 0.3746 1.0144 0.6463 0.3832 0.4699 0.7318 1.4322 0.3775 0.7367 0.2924 0.4551 1.0270 2.2204 cysteine 0.9006 1.3314 0.9055 1.1966 0.7543 1.2742 1.7075 0.7855 1.4467 0.5049 0.5238 0.6449 0.4734 1.4670 0.9319 0.8178 1.1419 0.5628 0.7437 0.8791 0.5624 1.2663 1.4650 1.5165 1.1402 0.6804 1.2867 0.5932 0.7226 1.6030 1.2874 1.1087 0.6837 1.3641 1.6488 0.8647 0.9207 1.9158 0.8860 1.0003 1.6418 1.0888 0.7640 0.9207 1.1724 1.1347 0.8869 0.8780 1.3158 1.3568 1.4326 0.6955 1.5612 1.9023 1.1437 1.2865 1.9404 1.5223 0.9025 0.7950 1.6737 0.7128 1.4303 1.6776 0.9809 0.9767 0.7719 0.5349 1.6895 0.8131 1.7026 1.9897 0.9997 0.6468 0.8415 1.0844 0.6419 1.1177 0.7050 1.0349 2.0666 2.0983 0.9501 0.9732 0.8260 0.7665 1.1658 0.5140 1.6744 0.8877 0.8548 1.8246 1.0313 0.6473 1.0739 1.5798 1.7848 1.2818 0.8103 0.9995 1.6195 0.8231 0.9782 0.7563 0.8271 1.7595 cysteine s-sulfate 0.6507 1.2511 1.9382 0.7870 0.7726 1.8591 0.3164 1.0388 0.3197 1.1574 1.3573 1.3160 1.2770 0.4329 1.4736 0.5657 0.9422 0.8323 1.0913 0.7040 0.8854 0.5424 1.1128 0.8540 0.6079 0.4743 0.6220 0.5323 0.9965 0.4615 0.9558 0.5269 0.5447 0.9791 1.4874 2.2075 0.9739 0.9392 1.1275 0.4520 0.4782 0.8513 0.9610 1.4696 1.3525 1.5930 1.5536 1.2340 1.3248 1.1788 1.8387 2.4710 1.3142 1.0554 2.0903 0.8484 0.9452 1.1435 0.7924 0.7121 0.9110 1.0193 1.6928 0.9261 1.1121 1.1219 2.1501 0.9423 0.9651 0.9831 0.9679 0.7475 1.0742 1.0683 3.5077 0.7699 1.3163 1.1634 1.4332 2.0085 0.5898 1.0431 2.3396 0.8091 0.6811 1.7203 1.7464 1.0063 0.4990 2.1116 3.1382 1.8593 0.7122 1.5670 1.2451 0.5961 1.0035 1.3806 0.9330 0.6161 1.0099 0.5795 0.5977 0.8317 2.5940 0.8154 cysteine sulfinic acid 1.6986 3.5178 3.0544 1.4774 1.0658 1.0072 0.7277 1.5869 0.8765 1.2129 2.1224 1.6202 0.5581 0.5825 1.0658 0.4613 0.5605 1.2479 1.1335 0.8918 1.0864 2.2924 1.7128 0.3727 1.3990 2.2559 0.8441 2.0746 1.2369 0.8255 1.2960 1.0491 0.6996 0.6841 0.5259 1.4461 0.4963 1.1319 1.4789 0.9928 0.6277 1.0817 1.9926 1.2529 1.2793 1.3579 1.3488 0.6118 0.8378 0.8007 1.4938 1.6983 1.7238 0.9045 0.8483 0.3727 0.5474 0.3727 0.4609 0.8084 0.3727 1.3887 0.3727 0.8722 1.3583 1.1355 1.0231 0.5384 1.2243 0.7430 1.6271 0.7265 0.3727 0.3838 0.3727 0.8554 0.3727 1.0383 1.6891 0.6715 0.7130 0.7634 0.8731 0.5951 0.3727 0.6577 0.8977 0.9809 0.6555 0.9150 0.7278 0.4372 0.6056 1.6236 1.2580 1.0213 0.8688 0.3727 0.7245 1.4936 0.6562 0.6636 0.3727 0.7949 1.0575 1.2017 cysteine-glutathione disulfide 0.6635 1.0343 1.7065 1.1017 0.2280 0.2087 1.9167 1.1519 1.4713 1.2905 0.8570 1.8269 1.7186 1.7905 0.9679 1.4893 0.8187 0.2370 1.0251 0.9609 1.3243 1.2539 0.9971 1.0952 0.5023 1.0302 1.3601 1.1261 0.6954 0.6934 0.8664 1.3064 1.2312 1.8207 1.5514 1.2469 0.6970 1.2978 0.9897 0.9057 0.7189 1.2290 0.7450 0.6104 0.2373 0.0177 0.9005 0.0177 1.5644 1.0555 0.4559 0.4927 0.0177 1.5373 0.9485 1.1730 1.4661 0.6601 1.0258 1.1160 0.0177 1.0764 0.0814 1.7737 1.0029 0.0177 0.9881 0.8136 2.4891 0.5461 0.3479 0.0177 1.6703 0.7304 0.6318 1.1104 0.2102 1.1307 0.7871 1.2573 1.1035 0.0177 0.0177 0.0177 0.5640 1.0782 0.2920 0.0967 0.0177 1.0260 0.6783 0.1201 0.5172 0.4887 0.7971 0.8765 0.3284 1.6733 0.8597 1.1900 1.5637 0.5087 1.2870 1.0348 0.6214 0.0177 cysteinylglycine 1.1265 0.7153 1.0747 0.9555 0.7871 1.0575 1.4855 1.0176 1.7673 0.4740 0.4582 0.5926 0.5819 2.7791 0.7152 0.5815 0.8742 0.7276 0.6308 0.7886 0.4395 1.1200 1.0065 1.4676 0.8721 0.7719 1.8365 0.5682 0.8824 1.3930 1.0288 1.0259 0.6430 1.4511 2.0787 1.2820 0.7375 1.9584 1.2341 1.0594 1.1558 1.1841 0.7162 0.7144 1.3531 0.8534 1.0030 0.5785 1.0219 0.9970 1.3279 1.2187 1.2463 1.9611 0.8897 1.0541 1.9154 1.6614 0.6534 0.6150 1.4081 0.7484 1.1256 1.6223 1.4403 0.8343 0.5521 0.4893 1.5250 0.6311 1.6975 2.3696 0.9214 0.8363 1.3070 0.7791 0.6910 0.6977 0.8052 0.8172 1.4545 1.9237 0.9779 0.7224 0.7849 1.0367 0.9183 0.7100 1.2824 0.5496 0.5973 1.4271 1.2493 0.4749 1.0419 1.1673 2.7417 1.5280 0.7472 1.0034 1.4228 0.8025 0.9912 0.5633 0.8792 1.6033 cysteinylglycine disulfide* 1.2492 1.1168 1.0449 0.8651 1.0027 1.3109 0.9014 0.9547 1.0659 0.7739 0.8693 0.9494 0.8867 1.2191 0.8108 0.9336 0.8955 1.1958 0.9769 1.2811 0.7995 1.1007 0.9976 1.0702 0.8871 1.1528 1.1524 0.7882 1.2709 1.0024 0.9737 1.1294 1.0288 1.0284 1.0577 1.0400 0.8715 1.0951 1.1063 1.0217 0.7080 0.9611 1.0089 1.0035 0.8554 0.8243 0.8860 0.9954 0.8204 0.9219 1.0881 1.1616 0.9335 0.9181 0.8016 0.8032 0.9098 1.0205 0.8711 0.9765 1.0816 1.0300 0.7734 0.9010 1.3210 0.8863 1.0147 1.2736 1.3864 0.8645 1.1522 1.7254 1.2834 0.7875 1.3117 1.1945 0.7144 0.8649 1.0686 0.8451 0.8695 1.0284 1.0119 0.8790 0.7272 0.8631 0.9862 1.0335 1.0196 0.7098 1.0663 0.9456 1.2530 0.8115 1.1054 0.9036 1.6332 1.1206 0.8354 0.9929 1.2103 1.0393 0.9629 0.8659 1.4532 1.3266 cystine 1.3753 1.4615 1.2535 0.8208 0.6980 0.8957 0.9471 1.1892 0.9603 0.6851 0.7055 1.1445 0.5376 0.5696 1.4991 1.5406 1.6311 1.3736 1.3806 0.8606 0.6193 0.7485 1.7543 0.7777 0.7915 1.6771 0.9846 1.1139 1.4296 1.4125 1.8161 1.8205 0.7768 0.7577 1.4161 0.6896 1.8410 1.5153 1.4102 1.1887 1.1645 1.1293 0.6557 0.8477 0.5780 1.0154 0.7034 1.4114 0.7459 1.6153 0.7880 0.5488 0.8426 0.5558 0.8306 1.2258 0.6606 1.1470 0.8292 0.6308 1.2122 0.5985 0.6711 0.6941 1.1676 1.2808 1.1224 0.6310 1.6293 0.7207 0.7014 1.6965 0.8286 1.0713 1.1782 1.0792 0.8802 1.7591 1.3599 0.7931 0.7732 1.5477 1.2241 1.3753 1.7338 0.7879 0.9760 1.5332 0.8482 1.8694 0.9113 1.4341 0.6674 1.3524 0.7194 0.8157 0.7720 1.2542 0.5348 0.7114 0.7661 1.1238 1.1554 0.6315 1.5793 1.3581 cytidine 1.8100 1.3308 0.7914 3.6236 0.9080 0.7826 0.8227 0.8642 0.6638 1.7256 3.2931 1.3694 0.8166 2.8812 1.5651 1.5100 1.0860 1.0541 0.9247 2.3069 0.7077 1.6587 1.2050 0.8436 1.0925 1.1877 2.1329 1.7285 1.4820 1.1561 2.5397 0.7559 3.1446 2.9754 0.9521 4.1015 1.9341 0.8093 1.6727 0.8653 0.5366 0.6185 2.1743 0.6578 1.3967 1.2773 0.7473 3.2198 1.4355 2.2745 2.2358 0.8059 0.9519 5.7822 0.7856 2.0050 0.5787 2.5886 1.6718 0.7676 1.6329 0.8846 0.6526 0.5388 1.5702 2.1661 1.0090 1.7190 0.7957 0.9902 0.8335 0.5470 0.9967 0.7696 0.5884 1.2225 0.7611 1.2080 0.8212 1.6467 0.4767 0.4038 1.2433 0.7482 0.6525 1.0682 0.7006 0.8892 1.5050 2.0677 1.6176 0.6768 0.7235 1.0033 0.5194 0.5395 0.4357 0.8588 0.8258 0.6162 0.4628 0.7021 1.2402 0.4398 1.2226 0.5738 cytosine 0.9769 1.0231 0.8712 2.6529 4.6172 0.2161 0.5300 0.4216 3.4454 1.1608 2.4591 0.2865 0.4054 0.9581 0.5900 0.5011 0.2161 0.7389 0.6026 1.0788 0.2161 1.3221 0.6180 1.3175 0.2161 2.3394 0.8014 1.9051 0.2161 1.6471 0.2161 0.7419 3.9220 2.6088 1.9617 0.2161 5.1382 1.4650 0.8084 0.3244 0.2405 0.2161 0.2161 0.2161 0.2161 1.0753 0.5569 0.8011 0.4125 0.8245 1.4740 4.7559 1.0679 2.9831 0.7475 1.3001 0.2161 1.4542 0.2161 4.6516 2.0549 0.4164 1.4923 0.5948 0.4081 10.2582 0.2846 3.7660 1.9363 0.2161 0.2161 0.2978 0.3507 0.7429 0.2161 0.2161 0.6252 0.8002 4.0603 0.2161 0.2161 1.8846 0.3451 1.4336 0.6292 0.6210 0.2161 0.2161 0.2161 1.6202 0.3745 0.5742 0.2161 1.3566 0.2161 0.2161 1.8179 1.2210 1.2716 0.6594 0.2161 0.2161 0.2161 0.2161 1.0850 0.5211 decadienedioic acid (C10:2-DC)** 1.1903 3.5929 1.5574 0.2520 0.2355 0.3493 0.3524 1.2309 0.5903 0.1151 1.9431 1.0040 2.4949 0.6002 1.0922 3.4392 2.3950 0.4222 0.5885 0.9521 0.2005 1.4861 0.8155 0.1656 0.5098 1.8425 0.3205 0.3368 3.3141 1.6353 2.0908 0.8452 2.2394 0.2614 0.2621 1.6751 0.6232 1.8399 1.0427 0.8861 0.4921 1.4675 0.2835 1.9729 1.1796 1.6311 0.1121 1.3629 0.0914 0.8866 0.9441 2.2111 1.3652 0.8604 0.8872 0.0476 1.8295 0.9807 1.1368 0.1350 2.0282 2.0055 1.6236 1.1098 0.9960 0.2351 0.6958 2.5145 3.7125 2.1166 1.0836 0.1751 0.6156 0.9634 0.8640 0.2305 0.3840 4.2440 2.6388 0.5506 0.6712 2.5625 1.1112 0.4898 0.9524 1.0465 3.6448 1.2839 1.6727 0.7291 2.8916 0.6061 1.8453 0.8937 1.3113 1.0070 0.3001 1.2036 0.0356 0.1431 2.1183 1.8020 0.9513 0.9209 2.1528 1.0514 decanoylcarnitine (C10) 0.8805 0.3197 0.6782 0.1163 0.4148 0.7150 1.7457 0.1434 1.4385 0.0916 0.3560 0.6959 1.2245 0.7978 0.5934 1.1313 1.1822 0.3199 0.5947 0.6321 1.8011 0.3876 0.3457 0.3632 0.5126 0.2510 0.3826 0.7523 1.2166 2.0662 0.4810 0.5635 0.7139 1.0885 0.7700 0.5431 1.4970 1.8055 0.9624 0.4295 1.4748 0.5394 0.8026 1.5574 1.2313 0.4061 0.1399 0.9692 1.8489 0.6785 1.6871 0.8261 0.9416 2.5208 0.1452 0.7367 0.7958 1.7026 0.8875 1.3707 1.7574 1.3431 1.1101 1.9713 0.6711 0.9992 1.1898 1.2472 1.1831 1.4179 1.2521 1.4410 2.0431 1.0159 0.9563 0.9061 0.2924 1.3978 1.0627 1.0008 0.8734 2.6838 1.3575 1.2788 0.5670 1.9189 1.1489 1.1759 2.0361 0.8297 2.5030 1.2030 1.0394 0.5198 1.6576 1.0339 3.0296 2.4431 0.2150 0.9457 2.6762 0.6728 1.6696 1.1637 2.1023 1.0939 dehydroepiandrosterone sulfate (DHEA-S) 1.2297 1.4146 0.9757 0.1262 4.7746 0.5726 1.4609 0.2198 1.1607 0.9869 1.1326 1.4379 1.2439 0.1358 0.8498 3.0754 0.4765 0.2857 1.3658 0.8910 1.7242 1.2652 0.7083 0.6931 1.2564 1.4923 3.8879 0.7536 0.6466 1.5512 1.0329 0.3860 1.2104 0.4412 1.2980 0.7888 1.1663 1.0806 1.3863 0.4312 0.4033 0.3692 1.0749 1.4566 1.1849 0.4765 4.6741 0.4002 0.7761 1.0050 1.5910 1.6081 0.2241 0.6065 1.1922 0.8867 0.7442 0.9749 0.4079 1.2519 1.9176 2.2543 1.1726 2.3247 0.3144 0.8132 0.2168 0.2570 0.7599 1.8193 0.9212 0.3111 1.1891 0.1645 0.9950 0.5322 0.7981 0.4419 0.5123 1.2282 1.1973 2.7317 0.7406 1.8990 1.2365 0.8512 3.1386 1.6383 1.0371 0.1720 1.3590 1.0413 1.1476 1.2463 0.5610 0.7400 0.9895 0.9344 2.6890 0.5925 0.8425 2.2522 0.8633 1.2982 0.7239 2.0986 deoxycarnitine 1.3222 0.0596 1.2918 0.9222 0.7957 0.9934 0.9195 1.1665 1.0334 0.8564 1.1157 1.1964 1.0404 0.8064 0.7696 0.9541 0.7564 1.1171 1.2022 1.0208 1.0608 1.1399 0.9688 0.9443 1.0015 1.0641 1.1251 1.0551 1.1472 0.9689 1.2841 1.1309 0.9828 1.4899 1.1110 0.8982 0.8474 1.5928 0.9855 0.8462 0.8939 0.9585 1.0133 1.0815 1.5043 0.8189 0.0455 0.9693 1.0870 1.4506 0.9959 0.9922 0.9631 1.1299 0.8208 1.0178 0.9867 1.0328 1.0425 1.2920 1.5033 0.9140 0.6674 0.8813 0.9423 1.0932 0.8326 0.9662 0.8972 1.1530 1.1734 0.8604 0.9598 0.5646 0.8131 0.8826 0.0779 1.2932 1.1169 0.7307 0.9914 1.1425 0.9603 1.0912 0.7363 0.9549 0.9985 0.7262 0.8316 0.6725 1.1311 1.2058 0.9417 0.9594 1.0997 1.1522 1.2372 1.0859 1.1416 1.3717 1.4535 1.3359 1.0304 0.7095 1.6370 1.6329 deoxycholate 0.3244 1.2802 2.0769 0.8692 1.2699 0.8368 1.5390 1.0521 1.0961 0.6455 0.1182 1.2758 11.5337 2.3394 1.3641 0.6102 0.5043 1.1622 4.9518 1.0903 0.3084 1.8598 0.9745 6.8628 2.6425 0.9677 0.9304 1.3785 0.5380 0.1871 1.4830 3.7792 0.7332 2.2820 2.4758 2.6935 3.5641 0.2080 0.7218 0.9651 0.3111 1.1359 0.5746 0.4170 1.1851 0.2191 1.8188 0.8436 1.3962 0.6245 0.7001 1.7756 0.4020 2.1684 0.9332 1.9420 2.5002 1.6737 1.5874 1.2978 0.3648 0.4371 0.9047 1.4670 0.8352 1.8351 1.7210 0.5685 1.1278 0.6615 0.8524 2.8168 1.5877 0.3175 1.8767 0.0810 0.3667 0.1517 1.0000 0.8990 1.7609 0.4891 0.5489 2.4676 1.0742 0.3852 1.5766 2.0248 0.5746 3.7751 3.5458 0.4548 1.0591 1.7971 1.6912 0.5116 6.1265 0.8705 0.0810 0.2331 0.5869 0.4881 0.2059 0.4295 0.5598 0.8358 deoxycholic acid (12 or 24)-sulfate* 0.2643 0.6979 5.4743 0.5736 1.0782 0.5667 1.3082 1.9671 0.8256 0.4089 0.0773 1.2963 5.3313 0.9551 1.1170 3.5559 0.4801 0.9058 4.2489 0.1471 0.1757 0.7983 1.2184 2.1101 4.1220 0.8701 0.2062 0.0773 0.2765 0.0773 0.6063 1.7235 2.5161 0.9300 3.0658 5.7543 4.5725 0.0773 1.8993 0.4024 0.2072 1.2299 0.7486 0.4870 1.6269 0.5253 2.9275 0.9842 1.6051 0.4192 2.2785 2.8786 0.0773 1.4264 0.6824 3.9813 2.7522 19.2195 1.8164 0.6379 0.1011 0.6849 1.3115 0.8916 1.3707 0.4071 4.1943 0.7661 0.6032 1.7221 1.5787 1.9942 8.3764 0.4645 2.8755 0.0773 1.0158 0.0773 1.1235 0.5725 0.1770 0.4126 0.4455 1.6595 2.7589 0.1931 2.9995 3.5921 0.7259 2.2013 2.4192 0.5828 0.5394 4.1487 5.7481 0.4011 5.9877 0.4691 0.0773 0.0773 1.9507 0.3943 0.1158 0.3105 0.2603 0.1349 deoxycholic acid glucuronide 1.9699 0.0723 1.8286 2.6660 1.1558 2.1237 0.8767 1.7755 0.5562 0.7294 0.0723 1.0416 3.1382 0.6987 0.1072 0.0897 0.7246 0.2040 2.3500 1.7683 0.2196 2.3457 0.1634 1.8784 1.4603 2.3321 0.9258 7.1358 0.3856 0.1231 0.4542 3.0708 0.3661 1.7246 3.1530 0.7292 0.5801 1.7491 0.7183 0.6571 0.2087 1.1726 1.1532 0.8947 2.2396 0.5278 0.3399 0.5833 2.1379 0.8951 0.4794 6.2915 2.0572 2.1930 1.7451 1.5720 1.0470 2.4000 0.7674 3.0930 0.6985 0.4193 1.2665 0.5500 0.1682 2.1740 4.8705 0.5306 0.4678 0.6362 0.8442 2.4636 0.1263 0.2290 0.7603 8.2327 2.5940 2.7112 0.0723 1.4422 1.3463 0.8713 0.1845 1.4369 0.4152 0.1022 0.8751 4.5520 2.4836 1.5398 2.0981 0.6657 1.1292 0.6517 0.9584 0.3191 2.2373 0.5685 1.4745 0.3676 1.8097 0.3257 1.6315 1.2259 3.7898 0.4915 desmethylcitalopram* 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 2.1761 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 1.0000 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 0.7468 desmethylnaproxen 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 desmethylnaproxen sulfate 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 dexlansoprazole 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 7.5015 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.5774 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.4482 0.1728 0.1728 0.1728 0.1728 0.1728 1.4226 0.1728 0.1728 0.1728 0.1728 0.3852 0.1728 0.1728 0.1728 15.6596 10.6590 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 0.1728 diacylglycerol (14:0/18:1, 16:0/16:1) [1]* 0.5186 0.2939 0.2975 0.3834 1.1919 2.4613 0.2057 0.2057 2.1666 0.2057 0.2057 0.2057 3.5698 0.2057 1.2322 0.2057 0.2169 0.6710 0.2057 0.2057 0.2057 0.7096 0.9431 2.4423 0.2057 1.2622 2.4593 0.2533 0.6251 1.2297 0.2057 0.8852 0.8122 1.0273 0.6839 0.4562 1.1762 0.6836 0.2057 0.4903 0.7120 1.0000 1.0678 1.5640 4.5510 0.5731 2.4888 0.2271 1.1663 0.6305 2.5815 2.4670 0.7257 0.4302 1.2423 0.8778 0.2057 3.6224 0.2057 1.6745 0.2057 0.5400 3.7500 0.5624 0.2057 0.2057 1.2311 0.5656 0.5787 2.0525 0.5862 5.5483 3.2271 0.3354 2.4885 0.5290 8.1247 0.2057 0.2057 0.3787 0.9389 0.3594 1.5290 1.2420 0.2057 0.3801 0.9552 1.5989 1.4154 5.9768 1.1203 1.6496 0.2890 1.1071 1.1045 1.6986 2.7861 0.7137 0.5240 0.2057 0.2570 1.1180 0.2057 1.0477 0.2057 0.5958 diacylglycerol (14:0/18:1, 16:0/16:1) [2]* 0.5359 0.7649 0.2216 0.6430 1.6888 2.9306 0.3081 0.2833 2.5029 0.6302 0.2216 0.2939 4.7356 0.2216 1.2710 0.5483 0.4730 1.0158 0.2216 0.4304 0.3185 0.9538 0.8727 3.6335 0.4194 1.3080 2.4839 0.3433 0.7153 1.5344 0.2216 0.9968 1.2072 1.3073 0.9434 0.6754 1.5833 0.8055 0.3504 0.5663 0.7259 1.0137 1.5493 2.0099 5.1234 0.8666 3.4200 0.5336 1.2163 0.7476 2.7753 3.1384 1.2406 1.0000 1.6356 1.2797 0.3760 3.7339 0.3833 2.3804 0.4001 0.9136 4.2100 0.8434 0.2216 0.5073 1.8604 0.9194 1.0574 2.9944 0.7477 6.8533 3.6024 0.5030 2.2306 1.2987 8.5248 0.2850 0.4467 0.7935 1.5659 0.5308 1.7849 1.3671 0.3032 0.3975 1.1880 1.6520 1.6333 5.8642 1.4521 1.7370 0.5904 1.4716 1.3237 1.9027 3.0071 0.7673 0.7949 0.2222 0.4795 1.0915 0.3585 1.3777 0.2556 0.7906 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 0.6279 1.0028 0.3869 0.5407 0.7785 2.0167 0.7726 0.3006 1.5293 0.5939 0.2742 0.5506 3.5688 0.2804 1.0341 0.7712 0.8319 0.6315 0.7063 0.8261 0.8471 0.6625 1.1735 2.0556 0.5247 0.8387 1.3789 0.4256 0.9329 1.3800 0.3576 0.7411 1.0807 0.9463 1.1171 0.5169 1.3991 1.2420 0.5293 0.5775 1.3617 1.1152 1.2563 1.6823 1.7584 0.7949 2.2274 0.5461 1.0768 0.8813 2.5503 1.3964 0.9299 0.9391 1.1259 1.1580 0.5563 1.7366 0.3760 1.3189 0.5559 1.1083 2.3667 0.9687 0.3378 1.0189 1.6049 0.7931 1.4317 2.1666 0.9572 4.5660 3.4972 0.9972 2.6568 1.0808 2.3605 0.8741 0.5561 0.8538 0.9147 0.5773 1.2413 1.6256 0.4442 0.8291 1.0785 1.4911 2.3616 5.0606 1.2877 1.2908 1.0423 1.6498 1.2311 1.2671 2.5506 1.4296 0.5931 0.3397 0.8767 0.9608 0.5776 1.6568 0.4457 1.5129 didesmethylcitalopram* 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 1.7249 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 0.2751 dihomo-linoleate (20:2n6) 0.6738 0.7761 0.4901 0.2537 3.1600 0.7826 1.1837 0.1862 0.8322 0.2768 1.0788 1.6666 0.9899 0.6175 2.2019 1.0787 0.8869 0.4576 0.7230 0.6427 0.5629 0.4176 1.4157 0.7457 0.8597 0.6113 0.5967 0.5865 1.0596 1.4070 1.5891 0.7573 0.5544 0.5974 0.5252 0.8349 0.9437 0.5830 0.9409 1.1825 1.1598 0.5730 0.5766 1.2079 2.1521 1.2030 0.7987 0.4820 1.1509 0.6727 1.1833 3.5214 0.5598 1.2446 0.4417 0.7604 1.0848 0.7158 0.8648 1.1442 0.9408 1.3903 1.9867 1.5741 0.6849 1.3357 1.2685 0.8156 0.8372 1.4570 2.0592 3.4163 1.7641 0.8641 2.3030 1.3710 2.4833 2.6027 1.5825 1.3627 0.5922 3.0979 1.0101 1.4962 1.1109 0.7073 1.7793 2.6787 5.1143 2.6797 1.9165 0.9608 1.5607 1.3035 0.7095 1.7017 1.4753 0.6924 0.4590 1.2169 1.8510 1.3533 0.7673 1.4483 0.8157 0.6218 dihomo-linolenate (20:3n3 or n6) 0.8086 0.6057 0.6170 0.3168 2.6049 1.1146 1.4673 0.2285 1.0609 0.4819 0.8889 1.2268 0.8107 0.5017 2.2327 1.1791 0.9902 0.6355 0.6261 0.4716 0.4600 0.4746 1.0263 0.6703 0.8606 0.5206 0.9419 0.6320 1.2474 1.2926 1.3279 1.0017 0.6238 0.5864 0.5870 0.5914 1.1339 0.5312 0.9243 0.9356 1.3338 0.7192 0.6510 0.9771 1.8582 0.8357 1.0639 0.6508 1.2905 1.0146 1.8790 2.1322 0.9024 1.5616 0.5379 0.8630 1.1502 0.7201 0.9026 0.9600 0.7068 1.0565 1.7423 1.4585 0.7372 1.0714 0.9983 0.6965 1.1670 0.9223 1.4684 4.2494 1.2667 0.6243 2.3947 1.6626 1.3751 2.0323 1.8039 1.2048 1.0290 1.8321 1.3180 1.7323 1.0685 0.6440 1.3576 1.7574 3.2566 2.9151 1.3694 1.7528 0.9502 1.1041 0.8674 1.5631 1.7750 0.7071 0.5801 1.1020 1.1466 0.8887 0.7354 1.3257 0.8549 0.7895 dihomo-linolenoyl-choline 1.2482 0.7558 3.4170 2.1551 1.9729 1.6724 1.7773 5.4760 1.9356 4.9029 1.0238 0.5831 0.5701 0.2293 1.4130 0.9562 1.2665 2.2152 0.6846 0.4088 1.1100 2.4617 0.5892 1.3390 0.4950 4.9267 3.0504 1.8696 0.2755 1.2493 3.1123 2.1378 0.4648 1.9854 0.4993 0.4068 1.5664 0.5984 1.1035 0.3120 2.4426 2.0954 0.2678 0.5824 1.6346 0.2293 0.9787 1.9810 1.6999 2.9010 4.5067 0.2293 6.7064 0.4811 2.9243 0.5028 1.0143 0.9689 1.1465 1.7770 0.7352 0.3873 0.2648 0.5794 0.9816 0.2293 0.4099 0.3785 3.4131 0.2293 0.2293 1.9382 0.2293 0.2600 0.2637 1.2484 0.2714 1.0262 0.9979 0.6544 1.1201 0.8453 0.3801 0.6833 0.2293 0.4377 0.3846 0.2293 0.2293 1.7648 0.4938 1.1559 0.2293 0.4008 0.7311 1.0000 1.0874 0.8756 1.5234 0.6101 0.3872 0.8982 0.2293 0.8490 0.9781 3.5518 dihomo-linolenoylcarnitine (C20:3n3 or 6)* 1.0673 0.2437 0.9014 0.5943 0.6630 1.3701 0.8291 0.5671 1.0160 0.2914 0.6001 1.9251 1.4942 0.6193 0.8989 0.7316 0.7327 0.4386 1.0708 1.0100 0.7563 0.3737 0.7310 0.9337 0.7124 0.2437 0.9900 0.2437 0.8123 1.3233 0.5137 0.6741 0.5407 2.0968 0.7458 0.2437 0.9451 0.9766 0.3703 0.6861 1.1503 0.5437 0.4359 0.9699 2.4889 0.5016 0.3057 0.5926 1.5451 1.1816 2.1043 1.3153 2.2521 0.6206 0.3749 0.9126 0.8038 1.2929 0.7079 0.4878 1.0816 1.3426 1.2322 1.3205 0.7835 1.1146 1.1469 1.7995 1.5802 1.6261 1.4255 1.5128 1.9971 0.2437 0.8471 0.9460 0.3423 1.9154 0.6606 1.0893 1.3092 2.4933 0.8751 1.0103 0.6192 0.9199 1.3456 1.0763 1.5911 1.7128 1.7866 1.2458 0.9657 1.0510 1.3795 1.5855 2.4360 1.4661 0.8701 1.1347 2.4402 1.0409 0.9660 1.0252 1.6599 1.2847 dihomo-linoleoylcarnitine (C20:2)* 0.7656 0.4191 0.4859 0.4954 0.5512 1.2923 0.6374 0.4327 0.9904 0.3716 0.5362 1.3789 1.3622 0.7126 0.5867 0.3716 0.3716 0.3716 0.6617 1.1587 0.8405 0.3818 0.4554 0.8148 0.5371 0.3716 0.8409 0.3716 0.9075 1.1206 0.3716 0.3716 0.3716 1.5771 0.3716 0.3815 0.8561 0.8696 0.3716 0.7533 1.2836 0.3716 0.3912 0.9735 1.6739 0.5067 0.3716 0.4280 1.1543 0.5998 1.2636 1.2967 1.8744 0.5823 0.3716 0.8119 0.7351 0.9117 0.7007 0.4802 1.1106 1.5115 1.2171 1.1588 0.4069 0.3716 1.2125 1.2954 1.1778 1.3516 1.5819 1.1841 1.7289 0.8070 0.7370 1.2356 0.3716 1.6378 0.3716 1.0399 1.0346 2.0881 0.6645 0.7064 0.4458 1.1263 1.0826 0.9601 1.3207 1.5501 1.6505 0.9131 1.0096 0.6887 1.1740 1.4176 1.9293 1.5711 0.8028 1.2360 2.3135 1.0645 1.0102 1.3404 1.5319 1.7327 dihydrocaffeate sulfate (2) 1.8887 0.1715 2.1824 1.2180 0.1496 0.1496 0.5537 0.1496 0.2836 0.3658 1.1647 3.5121 1.6253 0.3769 15.3254 0.2374 3.3342 1.3718 3.0214 1.8764 0.1496 1.2964 0.9237 0.5599 0.5286 1.2144 5.3996 3.8009 0.1496 0.1496 1.7558 0.3003 2.1698 2.7934 7.3151 1.0504 0.3301 1.6193 1.1215 1.6299 0.1496 0.1496 0.8344 0.9892 0.1496 2.6654 2.9430 0.5382 0.1496 0.3641 1.7580 0.2958 0.9142 0.1496 0.1496 2.1485 3.2170 0.8061 0.8711 0.7559 2.2219 1.0108 0.1496 0.1496 0.2208 1.6253 0.8371 0.1496 0.5870 0.9012 0.1496 0.1496 6.1813 0.7044 0.1496 0.1496 0.1496 2.1558 0.3074 0.5548 1.4781 0.1496 0.2078 0.1496 0.7421 0.4482 0.1496 0.3785 0.8136 2.0063 0.9576 0.1496 0.2710 0.1496 0.1496 0.1496 0.1496 0.1970 0.1977 1.3744 0.1496 0.1496 0.7262 0.1496 3.2102 10.0461 dihydroferulic acid sulfate 0.6133 0.2309 0.4573 1.2606 1.9374 0.1869 0.1869 0.1869 0.3771 0.1869 0.2874 1.9940 1.6186 0.1869 5.3985 0.1869 1.4145 0.6020 0.8206 0.9146 0.4245 0.2116 0.2595 0.7672 0.4768 0.1869 2.3640 0.7447 0.1869 0.1869 4.0904 3.2018 0.8012 2.2211 7.1143 0.7280 3.2789 0.7568 0.1869 0.1869 0.1869 1.0854 0.1869 0.5013 0.5778 1.2248 1.7700 0.2093 0.1869 0.1869 2.5328 2.0686 0.1869 0.1869 0.1869 1.3676 2.4479 0.3217 0.3120 5.4465 1.1693 0.1869 0.1869 0.1869 0.1869 3.1227 0.6676 0.1869 0.8930 0.1869 0.1869 0.1869 3.1853 0.9048 0.1869 0.1869 0.1869 1.0858 0.1869 0.1869 1.9018 0.1869 0.1869 0.1869 1.8937 0.1869 0.1869 0.4665 3.8323 0.7507 0.1869 0.1869 0.1869 0.1869 0.1869 0.1869 0.1869 0.1869 0.1869 0.1869 0.1869 0.1869 0.4954 0.1869 1.1337 4.2831 dihydroorotate 1.6425 2.7799 3.0294 1.7195 1.0000 2.0259 0.2502 2.2755 0.6605 0.8604 2.2844 1.7777 2.6415 0.1807 1.0707 0.5070 3.6874 3.0722 1.2090 0.8718 1.5742 2.0144 0.8281 1.1729 1.6254 1.6202 0.2174 2.6803 2.0465 1.2212 1.5914 1.5338 1.1244 2.5445 1.1058 0.8146 2.0214 0.3115 1.4812 1.4140 0.6791 1.6694 0.8794 1.0353 0.2845 1.0307 1.5229 2.9686 1.0853 1.2324 0.8833 2.7127 0.3359 0.6014 0.7081 1.2109 0.7108 1.0996 1.2602 0.9191 0.4761 2.3727 0.1807 0.1807 0.8326 0.4138 0.4405 0.2587 0.9688 0.5264 0.9162 0.9480 0.6291 0.2903 0.5762 0.8587 0.7684 0.8609 0.7704 0.9602 0.4664 0.8174 1.3686 0.4306 0.2405 0.5382 0.1807 0.1807 0.1807 2.0342 1.5670 0.8647 0.4589 0.4872 0.3845 0.6139 1.3871 0.1807 0.2235 0.4520 1.0714 1.3968 0.1807 0.1807 1.0335 0.1807 dimethyl sulfone 0.4904 2.4360 0.6922 0.4601 0.2314 1.1551 1.4148 0.3851 1.1267 0.7640 1.2421 0.6470 0.4405 1.5130 0.8248 3.6681 0.8445 0.4385 1.8604 0.7448 1.5578 0.6272 0.8796 0.9993 0.6197 0.2538 0.9405 0.6415 1.0148 0.5568 0.9754 0.6098 0.7035 3.8228 0.7752 1.1011 0.7296 1.1031 1.3993 2.0743 1.1507 1.8242 2.0884 0.4475 0.5439 2.0546 0.8011 0.9755 0.5411 2.5356 0.5985 0.2837 1.6346 1.0085 0.7328 0.5426 3.9671 1.8303 0.8978 0.7687 1.1806 2.4328 5.8268 0.3286 0.8180 1.2580 1.2135 1.3189 3.7765 0.5763 1.0899 2.1614 1.9495 0.2314 0.2314 0.8153 0.4118 3.1200 1.2357 1.1149 1.8318 0.7352 58.2483 1.1373 0.6448 1.0007 1.2499 0.6115 0.8212 2.2159 2.5224 2.2465 1.5851 0.3790 0.9134 2.6362 5.2294 1.4588 0.8923 0.6910 2.1135 0.5055 0.9282 0.3798 1.4289 1.1867 dimethylarginine (SDMA + ADMA) 1.1205 1.8338 1.0313 0.8881 0.9929 0.7888 0.9035 0.9871 1.0337 1.2447 1.1342 0.9975 0.9020 0.9839 1.0074 1.1844 1.0459 1.3044 1.1528 1.0788 0.8683 0.8155 0.9122 0.9043 0.8125 1.0663 0.8356 0.9176 1.2775 0.9252 0.8445 1.1311 0.8303 1.5996 0.9426 0.8557 0.9066 0.8917 1.0304 0.8761 0.7529 0.8538 1.0252 1.1441 1.2353 0.9920 0.9068 1.2091 0.8683 0.8769 0.8891 1.0768 0.8997 0.7256 1.1886 0.8026 0.8596 0.9160 1.1971 1.1420 0.9222 0.9515 0.7667 1.0012 1.0951 1.2851 1.0373 1.0222 1.4047 1.1087 1.0438 1.1202 1.4758 0.6701 0.9608 1.3530 0.8059 1.3755 1.0164 0.9528 0.9190 1.1342 0.9988 1.2772 0.7959 0.7521 1.1621 0.6331 0.9719 1.5215 1.5855 1.0257 0.9872 0.9539 1.1215 1.0624 1.0472 1.1241 0.9947 1.4539 1.2028 0.8776 1.0382 0.9238 1.5225 1.0819 dimethylglycine 1.3523 1.2529 1.6791 0.8564 1.0697 0.8515 0.7657 0.8662 0.9884 0.6341 0.9423 0.9198 1.2515 0.8443 0.8099 1.6662 1.2553 0.9603 1.5805 0.9125 1.1626 1.0386 1.4754 1.2051 0.7459 0.8026 1.0582 1.0116 1.1372 0.9011 1.1028 1.1855 1.3075 1.4877 1.0697 0.8322 0.7227 1.2166 1.7334 1.2662 0.7001 1.3335 0.7789 0.8291 1.0454 0.9490 1.0312 0.8809 0.9845 0.9650 1.1843 1.7589 0.5770 0.9848 1.0693 0.9575 0.7319 0.9234 1.1718 1.4345 0.8899 1.3053 0.9717 0.7763 1.3130 1.3657 1.1209 1.3142 1.2732 1.0488 1.4709 0.7491 0.7757 1.7137 0.9340 0.7009 0.7511 1.3838 0.9444 0.6549 0.8454 0.8860 1.1267 1.3648 0.8565 0.7956 1.1606 0.6221 0.8982 1.1582 1.3624 1.1512 1.0308 1.4155 1.0512 0.7825 1.3156 0.9275 0.9540 0.9339 0.7319 0.7580 0.8986 0.9707 1.3677 1.1288 dimethylguanidino valeric acid (DMGV)* 0.5797 3.6942 1.0700 0.1674 0.1344 0.9318 0.7384 1.2293 0.9141 0.6749 0.1344 1.3032 0.9913 1.3052 1.5557 0.6611 0.7957 1.7041 0.5340 0.1344 0.4156 1.9803 2.0315 0.1344 0.1344 1.0576 2.5046 0.1344 1.7464 3.2462 0.4422 1.8534 0.1344 1.4065 1.4246 0.6192 0.7585 2.3490 1.7146 0.1519 0.2895 1.1712 0.6779 0.5331 2.0964 1.6180 0.6241 0.7194 0.9521 3.3557 0.1344 2.6541 0.1344 0.6688 0.8023 2.5774 0.4348 3.9550 0.1344 0.1344 0.1344 1.0964 1.0589 0.3582 4.8729 0.1344 0.6492 0.1344 1.0087 0.1344 1.8298 1.3760 2.3228 0.1344 0.3962 0.1344 0.1344 0.9600 0.7117 0.1344 0.1344 0.2252 2.2898 4.9213 0.4512 0.1344 0.1344 0.9181 0.1344 2.1492 0.1344 8.1824 0.3693 0.1344 0.7512 1.3724 1.5848 0.1344 0.1344 0.1344 0.6044 0.1344 0.1344 0.1344 0.8959 0.3983 docosadienoate (22:2n6) 1.0853 0.7663 0.7452 0.2613 2.5691 1.0649 1.1213 0.3974 0.9556 0.2484 0.9052 1.7253 1.4460 0.5569 2.1027 1.0632 1.0424 0.7429 0.7813 0.8423 0.6099 0.5438 1.3574 1.1062 0.7760 0.4257 0.5909 0.9517 1.2332 0.7370 1.7439 0.9998 0.4419 0.6555 0.7723 1.0417 1.0082 0.9069 1.0752 1.2469 1.0158 0.8020 0.7281 1.1379 2.1679 1.4859 0.9447 0.7458 0.8456 0.6260 0.7364 2.5394 0.5250 0.9196 0.4123 0.9361 0.8778 1.1684 0.8100 0.8803 1.1059 1.1067 1.6877 0.9594 0.7801 1.5862 0.9187 0.6253 0.8673 0.8582 1.3118 2.2834 1.0002 1.4098 2.1880 0.7968 3.1008 3.0789 1.5871 0.9889 0.5302 2.9770 1.3102 1.4463 1.0898 0.9566 1.8192 3.5568 2.6990 3.4000 1.4487 0.8546 1.4823 1.3652 0.6111 1.4515 1.2528 0.9164 0.5039 0.8870 1.7652 2.1383 1.2081 1.7395 1.2043 0.5713 docosadioate (C22-DC) 0.8628 1.1602 0.7735 1.2549 1.0518 3.2301 1.3775 0.9089 1.0292 0.6942 1.0726 1.2091 1.2718 1.5979 1.1961 0.8055 0.7671 0.6158 0.8737 1.2733 1.1151 1.2719 1.0678 1.5429 0.9559 0.4753 0.6230 0.8600 1.0030 1.4520 1.3864 0.6984 0.8513 1.0618 0.7812 1.0417 2.3195 1.1297 1.1577 0.7605 0.7806 0.8811 0.8365 0.6478 0.8584 0.9203 1.0036 0.5605 0.7977 0.4960 0.8779 0.5613 0.6655 1.1293 0.6878 0.7612 0.7377 1.1357 1.0237 1.1339 1.4204 0.6990 0.8828 0.7336 1.8039 1.2788 0.6393 6.3550 0.8183 0.9333 1.6302 1.2129 0.8871 0.9643 0.7536 2.1699 1.1743 1.7888 0.8471 0.7944 1.1593 1.2743 2.1931 0.9540 0.5766 0.8893 0.7587 0.8769 1.1347 1.6375 1.1067 1.1031 0.6599 0.9970 1.6039 0.6409 1.4749 1.2813 0.8687 1.3892 1.2851 2.1680 0.8639 1.2028 1.1336 0.7210 docosahexaenoate (DHA; 22:6n3) 0.4434 0.6900 0.5554 0.4690 3.5947 1.5213 1.2621 0.1814 1.0154 0.3438 0.8848 0.6962 0.3763 0.3791 1.8762 0.4515 0.8343 0.4685 0.6044 1.3335 0.3666 0.7543 0.7252 0.4950 1.1535 1.3022 0.8306 1.5578 0.8310 0.9538 2.6581 1.6644 0.6099 0.5752 0.5734 1.0390 0.5353 0.4326 1.1338 0.7448 1.7709 0.7921 1.4910 0.8847 2.1095 0.9071 0.7805 0.9761 1.2158 1.1421 1.9302 3.4153 1.0853 3.6173 0.4168 0.6668 0.9846 1.1959 0.6543 0.8853 0.9272 1.2796 1.6774 1.4694 0.7001 1.4336 1.1152 0.6756 0.8485 0.7689 1.0894 6.5659 0.9597 0.4704 1.1484 1.7474 1.5571 1.8482 1.9883 1.4236 0.5855 1.1894 1.6859 1.5465 0.7695 0.6111 1.1429 1.7660 2.8268 2.4458 1.3680 1.3259 0.8018 0.7295 0.8611 1.2568 1.1249 1.2034 0.9142 1.4810 0.8548 1.3141 1.8114 1.4064 1.3013 0.8824 docosahexaenoylcholine 0.8173 1.0970 3.1005 3.4158 1.8116 2.3396 1.8825 3.4570 1.8554 4.0730 1.7026 0.5631 0.5024 0.1820 1.3133 0.6667 1.3857 1.3909 0.9177 1.2586 0.8387 2.6678 0.7011 0.8432 0.7675 7.0500 3.0049 3.6557 0.2855 0.9512 4.3073 2.8765 0.6358 1.8207 0.7576 0.5378 0.5579 0.8405 1.5790 0.7380 4.7596 2.0826 0.8453 0.4608 1.3849 0.3661 0.7004 2.4650 2.1309 3.7476 3.8873 0.6461 6.0643 1.0330 2.3209 0.7310 1.1642 1.5844 0.9332 1.7871 0.6436 0.6150 0.5055 0.9547 1.1410 0.8001 0.3683 0.1820 3.1734 0.1820 0.2187 2.6841 0.3025 0.4688 0.1820 1.9785 0.4066 1.1360 1.4693 0.8652 0.9075 0.6073 0.7520 0.8083 0.2243 0.4179 0.4006 0.2969 0.1820 2.5140 0.3621 1.2402 0.1820 0.3352 0.6036 0.9709 0.7333 1.8073 1.7894 1.0000 0.3672 1.2746 1.6870 1.3397 1.6165 4.4317 docosapentaenoate (n3 DPA; 22:5n3) 0.4665 0.7563 0.4363 0.3174 4.1542 1.1482 1.2854 0.1596 0.9191 0.2629 0.8461 1.0521 0.4525 0.5132 2.7279 0.9915 1.1286 0.3467 0.4413 0.8664 0.4187 0.4569 1.0782 0.5726 0.9220 0.9266 0.5327 0.7719 1.1475 1.2088 1.8086 1.1988 0.5515 0.4313 0.4950 0.8532 0.6116 0.4955 1.0336 0.6673 1.1619 0.5731 0.9657 1.0085 2.0534 0.8955 1.0487 0.7401 1.0341 0.8905 1.2263 4.6797 0.5689 2.1755 0.4162 0.5686 1.1726 0.6540 0.7044 1.3089 0.7099 1.3514 1.8791 1.4618 0.6499 1.2408 1.1154 0.6576 1.0909 0.9659 1.3276 3.8125 1.9427 0.5461 1.5228 1.7267 1.4498 2.0083 1.9471 1.4615 0.5439 2.3401 1.5260 1.7267 0.7033 0.6118 1.3100 2.6895 4.3590 3.1094 1.6133 1.3300 1.0949 0.8935 0.7965 1.2246 1.3415 0.7666 0.5675 1.0471 1.3548 1.2821 1.1603 0.9107 0.7911 0.6896 docosapentaenoate (n6 DPA; 22:5n6) 1.0939 0.5451 0.4877 0.2685 3.2244 0.8159 1.6404 0.2575 1.1236 0.3346 0.8831 0.9491 0.7907 0.5288 2.0569 0.8307 0.7642 0.5356 0.8374 0.6807 0.4383 0.6681 1.5736 0.8194 0.7558 0.6683 0.8282 0.5600 1.0083 1.9438 1.4175 0.9428 0.5884 0.8154 0.6734 1.0828 0.8703 0.7069 0.8180 1.2722 0.9788 0.6731 0.6524 1.0414 3.9942 1.7055 0.7815 0.5389 1.0579 0.6098 2.2357 2.4570 0.7528 2.4614 0.4377 0.7758 1.5360 0.8150 0.7001 1.7214 0.7199 1.6811 2.0707 1.4478 0.5894 0.8519 1.1384 1.4415 0.9917 1.2441 2.8383 4.3336 1.5338 0.5476 1.7822 1.9798 1.9583 1.6019 1.4808 1.2500 0.9156 2.2946 1.1322 1.8121 1.1587 0.7091 2.1399 2.4486 4.8494 3.0794 1.4860 1.2369 1.3141 0.9323 1.0911 1.3266 1.4086 0.9659 0.6376 1.0594 1.4083 1.4155 0.7678 1.5165 0.8391 0.5468 docosapentaenoylcarnitine (C22:5n3)* 0.4541 0.4541 0.4541 0.4541 0.4541 1.5665 0.4541 0.4541 0.7198 0.4541 0.4541 1.1341 0.4541 0.4541 0.4541 0.4541 0.8275 0.4541 0.6212 1.2694 0.4541 0.4541 0.4541 0.6231 0.4541 0.4541 0.8085 0.4541 0.4541 0.5624 0.4541 0.7781 0.4541 1.6297 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 1.2181 0.4541 0.4541 0.4541 1.5001 0.4541 0.4541 0.7930 1.0222 1.0788 1.4666 1.0318 1.6811 0.4541 0.4541 0.8044 0.4541 0.7416 0.4541 0.4541 0.6006 1.1142 0.8776 1.0503 0.5776 0.4541 0.4541 0.5773 1.5975 0.9256 0.7261 0.7533 1.1980 0.4541 0.4541 0.5607 0.4541 1.3174 0.4541 0.4541 0.4541 1.1733 0.8294 0.7666 0.4541 0.6847 0.4541 0.7374 0.4541 1.2234 1.0000 1.1567 0.4541 0.4541 1.0565 0.9837 1.0842 1.2526 0.8236 0.4541 1.3661 1.0697 1.6606 0.4541 1.5777 0.6818 docosatrienoate (22:3n3) 0.7721 0.7938 0.7446 0.1658 3.4003 1.2542 0.8072 0.1658 0.7643 0.1658 0.8346 1.7276 1.5263 0.1658 2.4756 0.8977 0.8559 0.5310 0.5363 0.5407 0.6059 0.1658 1.1929 1.0223 0.8679 0.3720 0.5335 0.3801 1.0802 1.2885 1.1496 0.7418 0.5467 0.5055 0.4270 0.8540 1.6769 0.4503 0.5800 0.9541 0.8927 1.1583 0.4659 1.6071 1.4510 1.1980 1.4863 0.2503 0.9560 0.4714 1.4951 3.1989 0.1658 1.5946 0.4232 0.8652 0.9145 0.7349 0.7383 1.1478 0.6941 1.2233 2.4940 1.4315 0.7612 2.0799 1.2968 0.9964 0.8559 0.9208 2.3845 2.8875 1.8350 1.5467 2.7780 1.2088 2.0416 1.8937 2.7148 1.0036 0.6404 2.1395 0.8939 1.1632 1.1485 0.5647 1.5315 2.5068 3.8472 2.9537 1.9858 1.0199 1.0386 1.2387 0.9191 1.3755 2.3130 0.3895 0.1658 0.9526 1.7324 0.8952 0.3106 1.3808 0.7037 0.2627 docosatrienoate (22:3n6)* 0.8503 0.5630 0.3652 0.0956 3.6478 0.5005 0.8437 0.0956 0.4203 0.0956 0.8186 1.4080 0.5838 0.0956 1.7714 1.1690 0.7848 0.2971 1.0995 0.5930 0.6044 0.0956 1.7935 0.7416 0.5389 0.4663 0.2210 0.2463 1.5193 2.4646 0.9545 0.5357 0.0956 0.6242 0.8516 1.6448 0.0956 0.7847 0.7559 1.1026 0.8869 0.7745 0.0956 1.9522 7.7082 3.5626 0.7518 0.4270 1.0784 0.4063 1.5410 4.4111 0.9388 1.0000 0.5744 0.7323 1.4656 1.3000 0.8959 1.9576 0.6377 1.3012 2.6290 1.5016 0.4198 0.0956 0.9076 0.9743 0.5433 2.0119 2.4609 3.7502 1.6109 0.0956 1.9183 1.1418 2.7780 2.4522 0.0956 1.0150 0.5503 5.2071 1.3878 1.5430 1.0229 0.6043 2.5751 4.4391 9.4891 3.1276 2.5403 1.1419 2.0935 1.1363 0.7875 1.4484 0.9063 0.0956 0.0956 0.2622 2.3084 2.5273 0.0956 0.8745 0.4083 0.3710 dodecadienoate (12:2)* 1.1184 0.9994 1.0011 0.4662 1.1053 0.9310 2.0361 0.2229 0.7616 0.1101 0.8493 1.1510 0.8383 0.8499 1.4258 1.3608 0.9893 0.5388 1.1540 1.3751 1.1301 0.7353 1.0104 0.7084 0.9906 0.6779 0.6626 0.9390 1.7348 1.0440 1.4393 1.0652 0.6840 0.7336 0.5682 1.0140 1.0186 0.8742 0.5601 1.3232 2.0731 0.6057 1.2919 1.0830 0.8897 0.5706 0.9533 0.8176 0.8897 0.7666 1.4675 0.8346 0.7784 1.5786 0.3281 0.4097 1.4839 0.6250 1.1720 0.8176 0.8805 1.3230 1.3668 1.2379 1.0006 1.2378 0.4193 0.9329 1.4440 0.8652 1.1359 1.2403 1.2267 0.8826 1.4583 1.2642 0.5014 1.6230 1.5720 1.3524 0.6559 1.8634 1.4984 0.7679 0.8824 0.6820 1.3034 1.4244 1.0081 0.6682 0.9948 1.0899 2.0745 0.8274 1.6678 1.5492 1.9918 1.8417 0.3861 2.4376 0.9734 0.9054 1.0937 0.9285 1.1662 0.8026 dodecanedioate (C12-DC) 1.2684 0.8353 1.4213 1.0020 0.9944 1.2146 0.7691 0.6024 0.7967 1.3066 1.9202 0.8197 1.7486 1.1111 2.6358 5.2538 1.1098 0.7114 0.5074 0.7397 1.4774 0.8452 0.5910 1.2981 0.2188 0.7264 0.8562 0.7123 1.9111 1.9334 1.6489 0.3430 0.7150 2.8956 0.9421 0.9862 1.4884 2.0663 2.5505 0.5448 0.9797 0.8652 0.6579 1.3480 2.1088 0.7457 1.4707 0.8997 0.7373 0.3913 0.7831 2.8953 1.3936 0.8492 0.4621 1.0358 0.8757 1.4440 1.0551 2.2032 1.8572 1.2005 4.5569 0.7358 0.4813 1.1049 0.4702 0.9980 0.7758 0.5893 1.3814 1.0240 1.9408 1.1079 0.7502 1.1587 1.8272 4.7689 0.6268 1.5317 2.5076 3.2136 0.9399 0.4442 0.2713 0.5091 0.9966 0.9245 0.3188 1.1997 1.3825 0.8978 0.2938 0.4634 1.0716 1.4508 1.2091 0.8822 0.4858 1.2657 2.0809 1.7144 0.7631 1.1617 1.5191 0.5711 dodecenedioate (C12:1-DC)* 0.8868 1.0209 1.0982 0.8468 1.5320 1.0000 1.3026 0.3111 0.3935 0.5255 1.8862 1.0318 1.2919 0.9178 2.3261 4.6193 1.3977 0.5195 0.6202 1.1527 1.1693 0.5729 0.5655 0.6309 0.4812 0.7903 0.8028 0.4371 2.9402 1.1552 2.2492 0.4648 0.5948 2.0957 0.6693 1.4568 1.4496 1.2893 1.8155 0.5918 1.5168 0.5799 0.7554 2.6325 4.2503 0.6925 0.9604 0.8090 0.4874 0.6778 0.9717 3.8595 0.8604 1.3770 0.3633 0.4925 1.1036 1.2700 1.2394 1.0313 1.4058 1.1992 3.9905 1.1328 0.6744 1.7300 0.3111 1.6717 1.2989 1.1460 0.9785 0.9274 1.2902 1.9738 0.8584 0.8449 0.7458 7.5439 0.9831 0.8833 0.5619 6.6727 0.8737 0.7480 0.4257 0.6717 2.5829 2.1684 0.5985 0.7248 2.2955 0.7327 1.3788 0.7853 0.6522 1.3780 1.3263 1.7116 0.3363 0.6580 2.5119 1.1833 1.0532 0.7639 2.8676 0.8350 dopamine 3-O-sulfate 0.7613 1.6715 0.8103 13.6080 0.6787 1.2643 1.0174 0.6849 1.5687 1.6843 1.4502 1.0805 11.4759 1.0179 0.9551 0.9238 1.2798 0.8434 2.5278 0.7898 1.9799 1.0642 0.9389 1.0935 0.7275 0.8439 1.2237 3.1645 0.2952 1.1878 0.7888 0.7861 0.8713 1.7551 1.5601 1.0086 1.1673 1.1247 2.0142 1.1326 1.1435 1.1157 0.7453 0.7885 1.2365 1.0682 0.7857 1.3276 0.8876 2.7851 8.4453 1.0575 1.4433 0.7578 1.9131 0.9895 0.5593 0.9175 7.6930 2.3971 0.7997 0.7154 0.6242 0.6382 1.1255 0.8268 0.7504 1.3883 1.4282 0.9233 0.9562 6.1566 0.8198 0.9821 0.5700 0.4981 0.6931 0.9853 1.6261 0.5776 0.5256 0.6451 1.1392 1.2721 1.3816 0.5733 0.7153 0.4450 0.8150 3.5999 1.0954 0.7975 0.6000 0.5226 1.1224 0.3948 1.5841 0.5784 0.6179 0.9914 1.0606 0.3971 0.5405 1.7613 1.0430 2.8059 dopamine 4-sulfate 0.4399 1.0098 0.4399 12.6349 0.4399 0.6243 0.7072 0.4399 1.0982 1.3613 0.7841 1.0741 12.0361 0.7745 0.7367 0.9902 1.2761 0.5481 2.5700 0.4399 1.9910 0.5848 0.9494 1.1061 0.4399 0.4399 0.4399 2.5381 0.4399 1.3097 0.4399 0.4399 0.4399 1.8578 1.6861 0.6528 0.4399 1.4442 1.6999 0.9374 0.4399 0.7660 0.4399 0.4399 0.8534 0.9671 0.4399 0.8823 0.6929 2.4792 7.7801 0.8232 1.5342 0.4399 1.7595 0.7332 0.4399 0.5385 8.1196 2.0300 0.4399 0.4399 0.4399 0.4399 0.6471 0.4399 0.4399 1.2117 1.8708 0.7132 0.8499 8.8757 0.6437 0.6742 0.4399 0.4399 0.4399 0.4399 2.0249 0.4399 0.4399 0.4399 0.7462 0.4399 1.0893 0.4399 0.4399 0.4399 0.7845 4.1294 0.4399 0.4399 0.4399 0.4399 0.9122 0.4399 1.5151 0.4399 0.4399 0.8649 0.8127 0.4399 0.4399 1.3928 0.8921 2.5725 ectoine 0.9638 1.4568 10.8070 0.2768 0.9191 2.7062 0.5672 0.7325 1.6802 3.4276 1.0733 0.6997 0.6991 0.3424 4.6704 0.7678 1.5073 1.0724 4.1529 1.1779 0.4796 0.6627 1.8137 0.7905 0.4727 0.6082 8.4913 6.4057 1.0510 0.7035 1.6568 1.3523 1.8737 0.7447 0.5728 0.7425 1.0000 1.2470 3.1532 1.7773 1.1453 1.7665 1.1623 0.8697 1.2200 3.0663 0.6690 2.5439 0.8077 1.1180 0.8565 0.8350 1.1398 0.8567 0.8868 0.8511 0.2768 1.7411 0.6792 1.1361 1.8258 0.7095 1.2201 0.5194 0.9789 7.4350 0.9248 1.1023 1.1519 1.3785 0.9845 3.7347 0.7490 0.6093 0.5609 0.5256 0.5460 1.6048 1.0648 0.7372 1.6572 0.9729 1.7044 0.8266 0.3439 0.4513 0.4612 0.8622 3.6211 1.3440 4.7339 0.7888 1.2406 1.1313 0.5078 0.6981 1.3975 1.0634 1.3391 0.7637 0.9937 0.3690 3.8253 0.4914 8.6237 0.4875 EDTA 0.8395 0.9267 0.9719 0.9957 1.1478 1.2277 1.0039 0.9833 0.9530 0.9329 0.9635 1.2067 1.0449 1.0113 0.8430 0.9360 0.9931 1.0371 1.0819 1.0434 1.0312 1.0660 1.0437 0.9006 1.0198 0.7468 1.1506 1.0191 0.8315 0.9313 0.8353 0.9851 0.9260 0.9678 0.9438 0.9332 0.7544 0.9977 0.9134 1.0187 0.9380 0.8465 0.9720 1.1019 0.8020 0.8503 1.0118 1.0189 1.0412 0.9270 0.9492 0.9572 0.9628 0.9697 0.8681 1.0134 0.9551 1.0847 1.0357 0.9091 1.0665 1.1237 0.8370 1.0957 1.0555 1.0919 0.9995 0.9770 1.0811 0.9526 1.2842 1.0153 1.1373 0.8478 1.0462 1.0235 0.9112 1.0005 0.8253 1.0080 1.0455 1.1398 0.9249 0.9009 0.9296 0.7627 1.0707 0.7633 1.0468 0.7018 1.0944 1.0638 1.1335 0.9838 1.2778 1.0155 1.2972 1.1121 0.9731 1.5014 1.4843 1.1478 1.0384 1.0946 0.8140 1.1477 eicosanedioate (C20-DC) 1.2430 1.2647 0.7314 1.1623 0.7490 2.9092 0.8626 0.7314 1.4766 0.4781 0.7612 0.9545 1.0583 2.1505 1.2972 0.9837 1.2793 0.6746 0.4297 1.2777 1.2528 1.5248 1.0742 1.2468 0.8539 0.3713 0.5533 1.1984 1.3151 1.6672 1.3942 0.6800 0.3461 0.6754 0.8267 0.6543 2.2813 1.0599 0.8563 0.6712 0.6608 0.5178 0.9396 0.5811 0.6586 0.6851 0.9941 0.4710 0.7290 0.5811 1.4449 0.4787 0.8087 1.3284 0.4068 0.7854 0.4092 1.0059 1.2823 0.4985 1.5414 0.5478 1.0383 0.9009 1.1596 1.1928 1.1132 3.3581 0.6755 1.0392 1.6550 1.0379 0.8677 1.0845 0.9927 1.2066 0.9018 1.4028 0.6740 0.8151 1.1656 1.6663 1.7388 1.0314 0.5396 1.1357 0.7264 0.9031 1.0809 1.2138 0.9538 0.5810 0.8447 1.0528 1.2247 0.8023 1.6379 1.2295 0.5125 1.9007 1.9785 1.8618 1.4300 1.2072 1.4633 0.8112 eicosapentaenoate (EPA; 20:5n3) 0.5498 0.8345 0.5274 0.9064 3.8295 1.5604 1.6540 0.2355 1.1657 0.3011 0.9303 0.6093 0.2591 0.3489 2.1550 0.8656 1.5369 0.5177 0.5644 1.4252 0.4706 0.8225 0.7735 0.4658 1.1533 1.6525 0.6259 2.1161 0.7890 1.0020 3.0311 1.6911 0.8604 0.4916 0.6679 0.8981 0.3596 0.5206 1.3517 0.5176 2.2345 0.7102 2.1391 0.9962 2.0225 0.8214 1.1637 1.8018 1.2733 1.7047 1.7064 5.3471 1.6178 2.6662 0.5082 0.9093 1.1134 0.8388 0.6510 0.8467 0.9570 1.4358 1.8224 1.6792 0.7624 1.7192 1.0366 0.5526 1.0765 0.7061 0.7192 4.4355 0.9777 0.6339 1.1775 2.2717 1.8080 1.8798 1.8862 1.9879 0.5927 1.7806 2.0597 1.5995 0.7101 0.5543 0.9973 1.7672 3.3823 2.4156 1.3016 2.1381 0.9980 0.8995 1.2733 1.6033 0.9212 0.9173 0.9646 1.0106 0.9522 1.4266 2.3334 0.7658 1.0238 0.8888 eicosapentaenoylcholine 0.3466 0.3466 1.0126 2.5298 0.8025 0.8196 0.3466 1.2753 0.9874 1.0763 0.4445 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.5277 0.3466 0.3466 0.3466 1.2268 0.3466 0.3466 0.3466 6.0670 0.3939 2.4431 0.3466 0.3466 2.0195 1.1369 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.9104 0.3466 1.8912 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 1.9078 0.3466 1.7646 0.9264 0.3466 3.4122 0.3466 0.9667 0.3466 0.3466 0.3644 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 1.0896 0.3466 0.3466 0.4568 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.7846 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.3466 0.5188 0.3466 0.3466 0.3466 0.7166 0.3466 0.3466 1.6858 eicosenedioate (C20:1-DC)* 1.2490 1.4712 0.6491 0.9941 1.0610 2.3154 1.1477 0.9874 1.8007 0.6658 1.3187 0.7811 0.8593 1.5681 1.5843 1.3574 0.7738 0.9280 1.5287 1.6720 1.8589 1.3894 1.9782 1.0496 1.0641 0.4821 0.8904 1.5264 1.0686 1.2056 1.6926 0.8606 0.4000 0.8882 0.9290 0.2534 2.3587 1.4727 1.1046 1.2717 0.6262 0.6545 0.8636 0.1564 0.4051 0.5544 1.9463 0.6291 0.8126 1.3964 2.6885 0.5086 0.6670 2.5780 0.1510 0.9923 0.8538 0.5542 0.9980 0.6739 1.7738 0.9556 0.4655 2.4500 0.1510 1.4934 1.6327 1.0020 0.3564 2.8556 0.6544 0.7671 0.8326 0.1510 0.9630 0.6317 0.5478 2.2329 0.4053 0.6285 1.0990 8.8406 0.9040 1.1668 1.1233 0.7529 1.7202 0.5126 2.6390 0.8564 0.2482 0.7192 0.9133 0.7039 1.1046 1.8295 2.0933 1.6994 0.5821 1.7209 2.4386 1.7633 1.3308 0.7971 1.5027 1.0235 eicosenoate (20:1) 0.8209 0.6588 0.8254 0.1815 3.0491 0.7258 0.8122 0.1819 0.9573 0.2446 1.0498 1.9293 1.0181 0.6450 2.8741 1.1623 1.2870 0.5112 0.8132 0.8894 0.5781 0.3332 1.6397 0.6641 1.0366 0.7812 0.5240 1.7893 1.4269 1.1244 3.1664 0.9707 0.4682 0.5540 0.6177 0.7931 0.7695 0.6034 1.1397 1.4081 1.6106 0.7365 0.7511 1.3374 1.9567 0.8624 0.7086 0.6106 1.3311 0.7656 1.1322 3.2616 0.5025 0.7954 0.3131 1.1011 0.7598 0.9740 0.7828 0.8819 0.8111 0.9358 1.7088 1.6156 0.6585 2.3460 0.9895 0.7761 0.7813 1.1005 1.5615 2.9828 1.5387 1.4839 3.2223 1.0105 2.3803 4.0729 2.0576 0.9294 0.4090 2.9787 1.2786 1.6036 1.1348 0.7421 1.4938 3.0059 5.1683 2.9260 2.2932 0.6979 1.6041 1.2857 0.4693 1.7211 1.2616 0.7811 0.3058 0.8060 2.0474 2.0832 1.1585 1.9777 1.4280 0.5470 eicosenoylcarnitine (C20:1)* 0.9197 0.5752 0.6052 0.2575 0.6580 1.1240 0.6666 0.3423 1.2217 0.2575 0.5883 1.3082 0.9646 0.8792 0.8979 0.6960 0.9893 0.4652 0.6413 1.5696 1.0120 0.4431 0.4190 0.7543 0.9307 0.2575 0.7854 0.6532 1.4316 1.0486 0.9448 0.6770 0.5336 1.3016 0.8815 0.4281 0.6011 1.0547 0.6722 0.9154 1.6001 0.2575 0.9375 1.0018 1.8688 0.6358 0.2575 0.5630 1.5312 0.7682 1.1445 1.2309 1.8623 0.9161 0.2575 0.8874 0.6546 1.3195 0.7609 0.5201 1.0818 1.0130 1.0779 1.0990 0.6256 1.5517 0.9499 1.6216 1.4105 1.0837 1.4448 1.8395 2.2109 1.6595 0.7812 1.5236 0.5491 1.9094 0.7353 1.4007 0.9031 2.3744 1.0489 0.9546 0.6425 1.2814 1.2593 1.1476 1.4414 1.8347 1.5887 0.7142 1.1146 0.8405 0.5947 1.2303 1.9835 2.2061 0.6315 1.0000 2.2417 1.5717 1.6554 1.8172 2.0826 1.8345 enalapril 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.6340 0.0986 0.0986 0.0986 1.9062 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 1.2937 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 1.7788 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.5634 13.2980 0.0986 0.7063 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 0.0986 enalaprilat* 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 1.0000 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 6.3062 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 1.7058 0.4272 0.4272 0.8365 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 5.4973 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4798 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 0.4272 epiandrosterone sulfate 1.6347 1.4112 0.4036 0.4676 2.2358 0.9862 2.1829 0.1714 1.4912 1.2314 2.6468 0.8654 1.1019 0.1359 0.9679 3.0965 0.1554 0.2783 1.1995 0.7126 2.8119 0.3149 0.1417 1.3380 0.0554 1.8330 1.2944 0.8145 0.4088 0.9189 1.0811 1.0394 0.4964 1.4134 1.4014 1.1416 0.8322 1.2807 2.4898 0.4910 0.4113 1.5634 0.9107 2.2184 0.3291 1.9578 2.2496 0.2581 0.1271 0.8803 2.4669 1.2422 0.4631 0.8776 0.8327 0.8555 0.4045 0.4310 0.2601 2.5985 1.7721 1.3654 0.5467 2.3485 0.5084 1.1385 0.1095 0.4559 0.2926 1.4474 1.3167 0.1115 0.5202 0.1153 0.4987 0.2335 2.2899 1.4333 0.8405 0.6719 1.4655 2.3941 1.1127 1.6062 0.5664 0.5859 5.4878 2.5824 0.3971 0.2301 1.7306 2.2305 1.8175 1.7627 0.7505 0.5957 0.4807 1.6594 1.7578 1.0138 0.9838 3.3010 1.5327 0.5527 1.0393 1.9738 ergothioneine 0.7535 1.2927 1.0125 0.6296 1.7015 1.2789 1.7666 0.8313 2.9269 0.3487 1.3269 0.3514 0.6904 0.1022 0.4930 0.3307 0.4025 0.7116 1.0983 1.9114 0.1342 0.6575 3.3515 0.1227 1.5662 2.3758 0.9892 0.5180 0.2613 0.6986 1.9896 1.3278 0.8921 0.4910 1.3255 0.5947 1.2990 1.2148 1.0108 0.6674 0.8283 0.9589 1.1005 1.2277 1.2873 2.1968 1.0303 1.3539 0.2990 1.3336 1.0720 0.3174 1.7026 1.4612 1.8102 0.5042 0.4106 2.7665 0.4409 1.3974 3.1717 0.5011 0.9475 0.6884 1.0562 1.6653 2.4883 0.4000 0.7534 2.2288 1.1410 1.9792 0.2620 0.3203 2.4492 1.2700 1.3231 0.9811 0.7612 0.4982 0.4007 2.4127 0.9562 0.9262 0.2816 0.5670 2.1178 1.8353 2.1078 0.7211 0.2475 0.9779 0.9160 0.0617 0.9696 1.2217 0.7422 0.9514 2.0428 1.5125 1.3251 1.0389 1.9111 0.9242 1.1107 1.6696 erucate (22:1n9) 0.5612 0.8568 0.6735 0.7719 3.4529 1.0617 1.0800 0.2922 1.7413 0.7281 2.4078 1.0355 0.9453 0.8527 1.5464 0.6818 0.7711 0.5526 0.4400 3.0602 0.9348 1.0050 0.6624 0.8648 1.9815 1.0679 0.4937 7.6949 0.7589 0.7321 3.7247 0.7824 0.8665 0.8528 0.6283 1.4401 0.3976 0.9601 0.9581 0.8664 2.3022 0.6504 1.7708 1.5425 1.7489 0.9694 0.8367 0.7392 2.0441 0.7841 1.4173 2.8003 1.3573 2.7169 0.5207 0.9795 0.8042 1.1637 0.6498 1.0948 0.8129 1.8074 2.7332 2.3366 0.4735 2.3888 0.7403 0.9950 0.5540 0.7985 1.4855 3.6885 0.9567 3.0242 1.1627 1.1653 2.4188 2.8311 1.5743 0.6733 0.9448 1.6362 1.1274 0.9109 0.8216 0.9431 0.9692 1.5317 4.3802 3.3291 1.9520 0.6914 1.9634 0.7753 0.8387 1.1905 1.3099 1.1069 0.8735 1.2286 2.7495 1.8248 1.9512 1.6333 1.7707 0.7897 erythritol 1.1326 2.5027 0.9714 1.7204 0.7067 0.5878 0.8960 1.0765 0.8847 0.9180 1.4368 0.9935 1.4692 1.0505 1.0306 0.9299 0.9356 1.1450 1.3244 1.3058 0.6818 1.0161 0.5905 1.0065 1.0170 1.7008 0.8088 0.6248 1.4577 0.7067 1.2516 1.2096 1.4887 2.1586 0.6341 1.1583 1.2140 0.6014 2.6106 0.5081 0.5972 1.5460 0.7941 0.6895 1.1258 2.1512 0.7292 3.1595 0.6435 1.0770 0.4894 1.1651 0.6553 0.8729 1.3075 0.5899 0.5796 1.5281 7.3896 1.1671 0.6852 0.8894 0.7864 0.7228 1.2096 1.0333 1.3587 1.1681 1.3055 1.2710 1.3902 1.0247 1.8437 0.5389 0.8624 1.3505 0.9266 1.3159 2.4491 0.6695 1.2405 0.7049 1.2523 1.4517 0.6291 0.4607 0.7660 0.8246 0.7866 2.6214 2.8197 0.8869 0.6769 0.7354 0.7652 0.8679 0.7921 0.7979 0.8430 1.3608 0.6607 0.4971 1.3504 0.7320 1.9992 0.5249 erythronate* 1.2069 2.2263 0.9779 1.2824 0.7819 0.8294 0.9826 1.1051 1.0389 1.2272 1.2357 1.2304 1.3947 1.3328 1.3138 1.1789 1.1910 1.1980 1.2473 0.8250 0.9514 0.9537 0.8228 1.1312 0.9970 1.2243 1.1355 0.6718 1.2796 0.9947 0.9624 1.0060 1.1171 2.2321 0.8778 1.0030 1.2566 0.8425 1.4321 0.7472 0.6196 1.4504 1.0096 0.9020 1.4122 1.3225 0.8137 0.9808 0.9809 1.3941 0.7006 1.0460 0.8711 0.8275 1.4510 0.8621 0.6812 1.2973 1.3989 1.2615 0.7746 0.9196 1.0044 0.8256 1.4564 1.1370 1.0537 1.4590 1.3246 1.3604 1.4616 1.2243 1.9592 0.7066 0.8812 1.1692 0.7879 1.2662 1.1678 0.7255 0.8663 0.9778 0.9663 1.5449 0.8053 0.6572 0.8204 0.8638 0.9027 2.1888 1.8026 1.2489 0.8697 0.8681 0.9110 0.9049 0.8697 0.7591 0.7835 0.7969 0.8276 0.5289 0.8266 0.7392 1.3972 0.9004 escitalopram 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 1.6530 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 1.0000 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 0.9218 ethyl alpha-glucopyranoside 1.8838 1.2315 1.1127 0.8271 18.2390 1.9054 1.4263 0.7473 2.3589 1.0180 3.4213 0.4078 0.6648 0.2471 1.2877 0.5526 0.1601 0.8330 0.8122 2.9233 0.2905 6.3168 0.2240 1.5993 1.4786 3.1699 1.0764 0.5825 0.2260 1.5549 2.3875 3.9751 0.5366 3.7667 0.8569 0.9463 0.2457 0.5146 1.5850 0.1286 0.2130 0.3573 0.3922 2.4267 24.7070 4.2708 0.5055 18.4964 0.2379 1.6428 0.9820 20.5901 0.8490 1.2168 1.1190 0.3127 0.3738 2.7784 0.2042 8.5965 3.2257 0.1385 0.8941 3.6416 0.2794 0.9242 0.4785 0.8702 0.3724 2.2974 1.3208 0.2157 0.3161 0.1094 0.1421 0.7661 9.5206 1.5403 0.1609 0.6222 1.2034 7.1411 2.1486 0.5936 0.1933 0.2103 0.6268 5.5252 0.1094 0.9199 12.1750 2.4078 0.1094 0.1884 0.7771 1.1093 2.6804 1.5138 2.9896 3.2223 4.7653 3.5471 1.2407 0.5363 1.0261 0.2737 ethyl glucuronide 0.0982 1.8089 0.0982 0.0982 17.2065 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 1.3881 0.0982 0.0982 0.0982 1.3076 0.0982 0.0982 0.0982 0.0982 1.0227 0.0982 0.0982 0.3786 0.0982 0.0982 0.0982 0.0982 0.1922 0.0982 0.0982 0.2688 0.0982 0.2557 31.5811 4.1641 0.0982 8.5747 0.0982 0.0982 0.0982 70.7481 0.0982 0.0982 0.0982 0.0982 0.0982 1.4147 0.0982 2.0307 0.2427 0.0982 0.0982 0.2184 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 34.1416 0.9773 0.0982 0.0982 0.0982 6.3110 0.5808 0.0982 0.0982 0.0982 0.0982 3.8209 0.0982 0.0982 4.9147 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.2558 0.1909 0.8076 0.4987 0.3437 0.9119 0.0982 0.0982 0.0982 ethylmalonate 1.3149 1.4149 0.8538 0.8829 1.1056 1.7770 0.6594 0.9897 0.9612 0.6759 0.8341 2.1910 1.2498 1.1177 1.0231 1.6834 1.1525 1.7591 0.5369 0.8737 0.9295 1.0641 1.1716 2.9096 0.9339 2.2469 1.0103 0.7510 0.8763 1.0742 1.4067 0.8278 0.8103 1.1899 0.8972 0.7349 1.1177 0.6899 1.2765 0.8053 0.5392 0.8616 1.0271 0.9166 1.5068 1.5198 0.7968 0.9739 0.7033 0.7616 1.0539 1.3759 0.4974 0.9858 0.8670 0.4897 0.6947 0.9422 0.6856 4.0158 0.6323 0.8554 0.8832 0.5653 1.1838 0.5005 0.8333 1.2934 1.1112 1.2769 0.9352 1.2016 1.5932 1.0880 1.0299 0.6667 0.8578 1.2583 1.5114 0.7829 0.6111 0.5601 1.2314 1.0345 1.1525 2.0430 1.1894 1.2563 0.4127 1.6674 1.8784 1.7044 1.0296 0.6015 2.6715 1.3717 0.8550 0.6136 0.6894 0.9362 1.0122 0.6877 0.6150 3.7603 3.9142 1.1669 etiocholanolone glucuronide 0.6920 3.8168 1.0409 0.6702 1.2992 0.4933 1.3289 0.4604 1.0532 1.8710 4.3333 0.5184 1.3781 0.3256 5.1750 3.0397 0.4759 1.0178 0.9822 0.8275 1.1689 0.5946 0.7887 0.8089 2.4439 3.6521 2.1182 0.8390 0.4678 0.6614 0.8021 0.4139 1.3281 3.6175 0.7993 0.4449 0.6630 2.1396 1.3765 0.3027 0.2013 0.8682 1.8804 0.9798 3.1762 0.9368 0.8026 0.2500 0.2013 1.0222 0.7268 0.9982 1.2209 1.1173 1.5177 0.3460 0.4474 1.8615 1.0629 1.1148 1.9804 2.5088 1.1331 2.0434 0.5048 0.9493 0.3462 0.4862 1.1130 2.2900 0.4598 0.2687 0.8120 0.2013 1.0055 0.5659 1.3305 1.2654 0.5871 0.9954 1.0459 2.4228 1.1093 3.0236 0.2883 0.9302 3.3732 0.9384 0.4047 0.3947 5.3166 1.0339 0.3115 0.8325 0.4134 0.6076 0.3982 1.0774 3.4025 0.7079 2.3253 2.5875 1.0018 1.1497 1.7475 4.8962 eugenol sulfate 0.3323 0.7188 0.1915 6.3622 0.9854 0.1915 0.8054 0.1915 2.8597 0.8042 0.7805 0.8068 0.4160 33.6888 0.1915 0.1915 0.8094 0.9027 1.2050 0.2267 4.5909 2.3952 0.1915 1.7381 0.4382 0.5599 75.2549 21.8929 0.1915 0.1915 0.1915 2.6043 1.3677 59.5658 1.2424 0.7840 0.9852 0.1915 1.0674 0.1915 0.1915 0.1915 0.6287 0.1915 6.3315 3.3036 0.1915 0.1915 0.2553 0.5880 1.2225 0.7519 1.0146 0.1915 0.1915 0.5270 0.1915 0.1915 3.4272 1.8324 0.1915 0.4133 0.1915 0.1915 0.3543 5.3785 3.2042 0.1915 1.9176 0.8995 0.1915 0.8699 1.3622 0.1915 0.2782 0.2190 5.3569 0.4266 0.9067 0.1915 1.2875 1.3172 0.1915 0.7004 0.6988 0.1915 0.2983 0.1915 0.4485 5.9142 0.7502 1.2385 5.6657 0.1915 0.1915 0.2678 0.1915 2.5888 0.1915 10.4541 0.2399 0.1915 1.1657 1.0624 1.2146 1.1051 febuxostat 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 1.9865 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 ferulic acid 4-sulfate 2.1704 0.0731 1.5788 1.9761 0.5664 0.0837 0.6877 0.8153 0.0731 1.5300 3.2714 1.2977 4.1352 0.9758 2.9598 0.5600 1.9850 1.6423 2.8301 1.0365 0.6604 0.4499 1.4877 1.8638 1.6843 1.1374 1.0397 0.9868 0.1862 0.7753 1.4501 1.5527 1.8063 3.6850 2.3291 2.5472 1.1450 1.7523 4.8004 0.2580 0.0731 0.7851 2.4644 0.0882 0.5776 7.7510 1.0653 0.4923 0.0731 0.7015 0.8010 1.5440 0.8414 1.0132 0.6111 1.6157 0.0731 4.4481 2.7127 0.8420 1.8369 1.6523 0.0731 0.0731 0.0731 1.1932 0.1494 0.4581 0.0866 0.0778 0.0731 0.0731 1.1031 0.8296 0.0731 0.0731 0.0731 0.0989 0.2831 0.0731 0.0731 0.0731 0.0731 0.0731 0.3613 0.1189 0.0731 0.2857 0.3335 0.9372 0.0731 0.0820 0.1736 0.0731 0.0731 0.0731 0.0731 0.0731 0.0731 0.0731 0.0731 0.0731 0.0731 0.0731 0.5030 0.8708 fexofenadine 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 1.7993 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 3.1297 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.2007 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 0.0408 Fibrinopeptide A, des-ala(1)* 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 3.5182 3.9784 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.5717 0.1514 0.1514 0.1514 0.1514 0.1514 0.2715 0.1514 0.1514 1.4283 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.5231 0.1514 0.1514 24.0285 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 8.7860 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.3418 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 0.1514 flavin adenine dinucleotide (FAD) 1.3718 0.8447 0.9123 0.9055 1.4463 0.9594 1.1128 0.6413 0.9520 0.7585 1.0695 1.0273 1.1828 1.7585 1.1875 1.1447 1.1340 0.5826 0.9095 1.6650 0.9624 0.9566 0.8663 1.4079 0.5826 0.7857 0.8538 0.9114 1.0511 1.1427 0.8012 1.2582 1.1252 0.8928 0.8380 1.2285 0.8940 1.6528 0.9031 1.0880 0.5826 1.1696 1.3609 1.1958 1.1420 0.9405 0.9167 0.6737 0.7830 0.6758 1.0266 1.0000 0.9413 1.2725 1.0216 0.7267 0.9336 1.1759 0.9392 0.8943 0.8663 0.6425 1.5616 0.9327 1.1981 1.0919 0.6475 1.4710 1.4514 0.8089 1.2821 1.2679 1.2097 0.9247 0.9176 1.4893 1.1567 0.6912 0.5826 1.1410 0.8762 0.9863 1.2074 0.5826 0.9742 0.7454 1.3422 0.9748 1.3780 1.0436 1.1331 0.5826 1.0197 0.7864 1.1997 0.7360 0.9431 1.2781 0.9841 0.7969 0.5826 1.0221 0.8958 1.1383 0.5826 1.3832 fluoxetine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 formiminoglutamate 0.9688 1.5208 0.5835 0.7692 0.5499 0.9543 0.5849 0.9845 0.7426 0.2232 0.5722 0.5624 1.5194 0.5556 0.4600 0.4023 1.4983 0.9660 2.1411 0.4643 1.4441 1.0574 1.4060 0.9911 1.1440 0.4579 1.3489 0.5496 1.0835 2.7219 0.6145 0.7694 3.3257 1.3010 1.8719 2.2026 0.5615 0.9996 1.7467 1.5623 0.5888 0.7558 2.1961 1.1848 1.2212 2.0031 0.7952 1.1623 1.6315 3.0823 1.2442 2.4272 0.7251 0.8204 0.9213 2.2783 0.5188 2.9942 1.6100 1.0004 1.7405 1.0775 1.3696 1.3259 0.5570 1.4328 0.7189 1.0793 1.2579 1.5578 3.1749 0.8456 0.5601 0.7417 1.1939 0.3918 0.7601 1.0703 1.6518 0.3452 0.3078 1.6731 0.4487 0.9238 0.8508 0.4687 1.6750 0.5884 3.8339 1.0775 1.1417 1.3777 1.2463 1.3245 2.2684 0.9790 0.7334 0.6223 0.7203 0.6902 1.0545 0.4916 0.3947 0.3674 0.7574 1.1077 fructose 1.5208 0.7726 0.8858 1.6202 1.3871 0.7396 0.9541 1.1048 0.9038 0.8057 1.3157 0.6605 2.2159 0.7348 0.9452 0.5761 0.7939 1.0898 0.5378 0.5004 0.7432 0.8769 0.7197 1.0170 4.9158 1.2992 1.2643 1.0029 1.0349 0.8731 1.8771 0.8758 1.5336 0.9671 0.8004 1.1651 1.4770 0.9779 1.1202 1.1173 0.8886 1.2116 1.1486 0.4804 0.9871 2.0830 1.3248 1.1501 0.8367 0.7166 0.8031 0.6341 0.8766 0.8253 0.9929 0.6788 0.9353 1.2379 1.0118 0.8886 0.7613 1.5028 1.6144 1.0274 1.3363 1.2134 1.3931 0.9119 0.9287 0.5577 0.9258 1.0072 0.8973 1.2052 1.2118 1.1873 0.6623 0.7667 1.3673 1.1316 0.8770 1.4170 1.3135 0.9971 1.4245 1.5266 1.4001 1.4312 0.6424 2.0071 1.1186 1.2739 0.7546 1.5676 0.9337 1.2214 1.4378 0.5658 1.0188 0.9336 0.4266 0.8469 1.4314 0.9660 1.0098 0.7092 fructosyllysine 0.3959 0.6940 0.2583 0.4815 0.5465 0.9412 0.5925 0.4194 1.0898 0.6174 1.2616 1.1134 3.1899 0.9786 1.0071 0.7396 0.7591 0.9764 1.6347 1.3629 0.7232 0.3080 0.5733 0.3905 0.4503 0.5193 0.9422 0.6744 1.5775 1.1707 0.2837 0.4933 1.4500 1.0155 0.9726 1.0102 1.9251 0.7863 0.7036 0.9243 0.5299 0.7597 1.4377 2.1642 1.1063 1.3924 0.8285 0.4447 0.7002 0.6716 0.8900 1.2130 1.0264 0.7880 0.6592 1.3512 0.9212 1.0777 1.2953 0.6722 0.8837 2.3436 2.0632 1.6561 0.7390 1.0447 2.8137 1.9092 0.9043 2.1275 1.3370 1.2726 1.3507 1.1037 1.6744 0.8066 1.8534 1.1579 1.1647 0.5903 0.7989 0.9167 1.3848 1.8980 1.9080 1.4706 1.9711 1.5686 1.1727 1.8716 2.0551 1.2691 1.7515 1.8926 2.0893 0.9929 1.6125 0.4561 0.9607 0.7359 0.5958 0.7910 0.8926 1.0540 1.4413 0.5124 fumarate 1.1861 0.9436 1.0069 0.8912 1.1728 0.9051 0.8436 1.0259 0.7305 0.9511 1.2103 0.7428 2.1800 1.7132 1.9302 1.0229 1.0436 0.7184 1.0450 1.2022 0.8902 1.3976 1.0807 1.4618 1.7510 1.1522 0.8033 0.6603 1.6923 1.1335 0.9685 1.3637 1.5286 1.2061 1.1215 1.9680 1.0058 0.7643 1.1252 0.8822 0.7359 1.3949 1.0113 1.0944 2.5873 1.2217 0.9952 0.7648 0.9235 1.1258 0.8342 7.2496 0.6503 0.8328 1.4139 0.6972 0.8255 2.2633 1.5540 2.1665 0.9349 1.0553 0.8269 0.7884 0.6340 0.6616 1.0441 1.4830 0.9143 1.0020 1.2768 0.9980 1.7794 1.1159 0.8303 1.4698 1.3413 1.1450 0.7787 1.2079 0.7679 1.1568 0.9074 0.7303 0.7484 0.9374 0.5225 0.9969 0.5898 2.1959 1.5212 0.8479 0.7176 0.8519 0.7454 1.1273 0.7935 0.7824 0.5704 0.9544 0.5711 0.7092 0.7502 0.5782 1.0031 0.6214 furosemide 0.1718 0.2940 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.3740 1.4410 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 5.2556 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 3.2614 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 3.2522 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.5590 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 0.1718 galactonate 1.9104 0.0766 0.0766 3.6393 0.0766 1.1901 2.0814 1.4365 1.4064 1.2760 2.8470 2.1521 3.2871 0.0766 0.0766 0.6263 1.4510 1.6580 1.2018 0.5347 1.7260 1.6221 2.3446 0.8677 0.3842 2.9479 1.3830 0.6049 0.9958 1.7825 2.5849 2.3279 0.2596 1.4245 0.6700 0.3959 3.8773 0.0766 1.3263 0.0766 0.7021 2.0798 3.8205 2.5025 0.7092 1.9228 2.1974 0.2426 1.0000 2.9466 0.5178 1.8772 0.1188 0.8270 2.4727 0.2372 0.0766 4.4001 1.3568 1.6274 0.6034 0.4008 0.0766 0.0766 1.6787 0.7959 0.2624 0.0766 1.3374 1.0153 0.0766 0.4650 2.2235 0.6718 0.1071 0.6903 0.9615 0.5358 0.1858 0.0766 0.7795 0.0766 1.0204 1.5404 0.0766 0.5513 0.9583 0.9275 0.4066 1.0622 1.9626 0.0766 0.6771 0.0766 0.1756 0.6312 0.0766 0.8088 0.2483 0.5230 0.1403 0.3371 1.1233 0.5241 0.3638 0.7050 gamma-CEHC 0.7112 0.7408 0.8484 1.5631 0.1720 0.6224 1.1533 0.9601 0.6380 1.8644 1.0933 1.1855 1.1583 2.7325 1.5895 1.1014 1.0131 0.7644 0.7088 0.6349 1.5900 0.5761 0.7167 1.9641 0.6950 0.2852 0.9158 0.5505 1.0069 1.8469 0.6130 0.8759 0.3328 2.5360 0.7060 1.3795 1.7073 1.5829 2.1160 0.6080 0.7374 0.3794 1.2785 0.2718 0.2906 0.3549 2.0063 0.7461 1.0817 0.7959 0.5046 0.2425 0.5236 1.0852 0.6789 1.5043 0.9032 0.8805 1.2545 0.7621 2.5459 1.0132 0.8157 1.2215 4.3397 1.2749 0.4097 0.9937 2.0187 0.7816 1.9423 2.2878 2.2722 2.1925 1.5879 2.6592 0.2830 0.7891 2.8739 0.8078 1.0063 1.1503 1.8586 0.8040 0.6202 0.5935 0.7062 0.3832 0.4364 1.8544 1.9557 2.4108 1.2999 1.1543 0.8502 1.0250 2.0148 0.9777 0.9582 1.4161 2.7538 0.5499 0.9759 1.4262 1.2959 1.4234 gamma-CEHC glucuronide* 0.3175 0.8074 0.5806 1.0061 0.3175 0.3175 0.3175 0.9059 0.3175 1.2470 0.7548 0.7540 0.7482 2.8314 1.5705 1.1484 1.1099 0.3175 0.5450 0.3175 1.3336 0.3175 0.4853 0.6734 0.3175 0.3175 0.3175 0.3175 1.8127 1.6177 0.3175 0.3175 0.3175 3.8365 0.6239 0.4928 0.9087 1.6797 1.6934 0.3175 0.3175 0.3175 0.9586 0.3175 0.3175 0.3175 0.9939 0.3175 0.3175 0.5597 0.3175 0.3175 0.5716 0.3175 0.7516 0.6629 0.3175 0.3175 1.0502 0.3175 1.1668 0.4888 0.4173 0.4826 3.8063 1.1143 0.3175 1.7139 2.4505 0.8738 1.5165 2.8887 2.6199 2.7733 1.4366 2.4623 0.3175 0.6371 1.8760 0.3175 0.3175 0.8199 0.7864 0.4656 0.3175 0.3175 0.3175 0.3175 0.3175 3.0566 1.8212 2.1632 1.0228 0.4162 0.3175 0.3175 1.3244 0.3175 0.3175 0.3175 1.4782 0.3175 0.4196 0.3175 0.6693 0.6350 gamma-glutamyl-2-aminobutyrate 1.8029 0.7392 1.2168 1.2128 2.0479 0.5644 0.3748 0.6689 1.1527 0.2147 1.4134 0.5002 1.4184 0.2147 0.5496 0.3142 0.3835 0.9732 1.0247 0.9249 0.8401 1.1067 0.7446 0.2147 0.6717 0.9057 0.2147 1.2989 0.7811 0.9953 2.0532 1.1033 0.8399 0.2147 1.2898 0.2595 0.3050 0.5572 0.4893 1.1724 0.6336 0.8607 1.0000 2.4930 0.9571 1.2676 1.8997 0.8994 0.7460 0.5895 1.1926 0.9653 1.2924 1.0561 0.6311 1.3105 0.7179 1.5774 1.2867 1.1610 1.5548 0.9365 0.4621 1.5296 0.2147 1.4754 0.9688 1.0613 0.9791 0.7773 1.8062 0.5694 1.0678 0.7801 1.7833 1.2711 1.4474 1.5001 1.4998 0.2551 0.2147 0.2147 1.1819 1.5806 0.8577 0.6957 0.2147 0.4264 1.8435 1.0185 1.8999 1.2281 2.1876 0.2147 0.2147 0.6315 1.1018 1.6621 0.2147 0.2147 1.4004 0.7627 2.2255 0.8175 0.2147 0.9135 gamma-glutamyl-alpha-lysine 1.0808 1.1481 0.9543 0.9294 0.8609 0.8143 0.7894 0.9147 1.0027 1.2667 0.8029 0.9465 0.9564 0.7607 0.7641 0.7693 0.6678 1.2682 1.1759 0.7166 0.9556 1.1804 1.2878 1.1237 0.9250 0.7511 0.9410 0.9513 1.0750 1.2246 1.0540 1.0297 0.8363 0.9020 1.1228 1.0171 0.7984 0.7478 0.9474 0.9879 0.9296 0.9730 1.0055 1.1976 0.7923 1.2604 1.1689 0.7290 0.9023 0.9251 0.9379 0.7747 1.3766 0.7736 1.0664 1.0063 1.4574 0.8584 1.1378 1.5504 0.9978 0.9327 0.6934 1.1957 0.9531 1.1049 1.1793 0.9674 1.2380 0.8824 1.0080 1.4490 1.0480 1.0627 1.2191 1.1734 0.7263 1.4361 0.9809 0.7727 1.0022 1.0827 1.1601 1.5161 0.7790 0.6069 1.0358 0.6465 0.7333 1.1925 1.0324 1.3304 1.0531 0.7975 1.3579 0.9681 1.1235 1.0259 0.7540 1.0284 1.1823 0.9602 1.1396 0.9197 1.3843 1.2256 gamma-glutamyl-epsilon-lysine 1.3344 1.5243 0.7872 0.9172 0.8216 0.7217 0.7259 0.9459 1.3180 1.3661 1.1707 0.8008 1.1361 0.9645 0.8017 0.8728 0.7986 0.8699 1.4350 0.9563 1.1406 1.2111 1.3060 1.1762 0.7521 1.3661 1.0495 0.7792 1.3092 1.1173 1.3569 1.0251 0.9653 0.9595 1.3454 1.2399 0.9249 0.6632 0.8848 1.0695 0.8966 1.0995 1.3199 1.6045 0.7515 0.9903 0.8663 1.0105 0.6578 1.0206 0.8851 0.9652 1.1524 0.8177 1.1016 1.1744 1.2441 0.7154 0.6578 1.3988 0.9195 1.1928 0.6890 0.9762 0.7780 1.3157 1.0778 1.0000 1.0646 1.4059 0.9499 1.1617 1.0170 0.7604 1.0915 1.1181 0.9322 1.3071 0.9086 0.7960 0.9510 0.8148 1.1558 1.3704 0.9741 0.6909 1.2097 0.7092 0.6580 1.4624 1.0929 1.3954 1.3182 0.8060 1.3060 0.7651 0.9078 1.1048 0.8763 0.9849 0.8684 0.9307 1.0593 0.8013 1.3903 1.3061 gamma-glutamylalanine 0.8954 0.3412 0.1867 1.7309 1.5486 1.0567 0.4757 0.7872 0.5942 2.4340 1.9464 0.0988 2.2376 3.4030 0.4519 0.2692 0.4612 0.0643 0.2587 1.3973 2.1015 2.1039 0.9064 2.3858 2.3602 1.5164 0.2593 0.5083 0.9427 0.5268 1.1891 0.6934 1.7659 1.3785 1.1999 4.1262 0.8023 0.8303 0.8499 0.3103 0.2223 0.8395 2.1439 1.4447 1.9795 2.0608 1.9584 0.2005 1.1368 0.4729 1.4826 1.6112 1.3227 1.8134 1.9510 0.4034 1.7997 0.1698 2.0338 3.4442 0.0643 1.3021 0.8611 1.1175 0.0643 0.0643 1.7472 1.9329 0.0643 1.4444 0.8310 0.0643 1.8097 1.0506 0.7874 1.2133 0.5749 0.0643 0.1771 0.8171 1.3331 0.0643 0.0643 0.0643 1.0000 0.6083 0.5918 0.7974 1.3995 1.1069 1.7381 0.0833 1.2446 0.1871 0.7001 0.8504 0.8644 0.3875 1.0214 0.0643 0.1890 0.2102 0.6055 1.1160 0.0783 0.0643 gamma-glutamylcitrulline* 1.2116 1.3064 0.3225 1.2574 1.3103 0.1368 0.9326 1.0535 1.0663 1.4843 0.4367 1.1441 0.3434 0.0907 0.7947 0.4285 0.8374 2.0188 1.4458 1.4662 0.3902 1.3661 0.5820 0.3144 0.3328 0.6455 1.9622 1.1037 1.3280 1.1683 0.6783 0.9768 0.3216 1.4752 0.3107 0.3958 0.7196 2.0562 0.8361 0.8614 1.4670 0.4038 0.9025 0.7196 0.7072 0.7336 0.4474 1.6903 1.4141 0.6538 0.7636 0.3641 0.7875 0.7040 0.4529 0.5467 0.2903 0.6138 0.7909 0.7094 1.0992 0.6633 0.6424 1.3840 1.4879 1.5092 1.5668 0.1685 1.4731 0.9240 0.7944 1.4263 1.7120 1.5350 1.0908 1.2825 0.7361 1.3698 1.4367 1.4591 1.0968 1.9992 0.8915 1.2026 1.0075 0.9414 1.1520 0.2697 1.0607 0.5490 1.4331 1.1708 0.9661 0.9925 1.2954 1.3638 0.8536 2.0756 0.6226 1.8682 1.2538 1.1928 1.9986 1.3393 2.1883 1.9090 gamma-glutamylglutamate 0.7856 0.9043 0.6725 0.7354 0.8598 0.4767 0.5041 0.7832 0.6830 1.1438 0.2541 1.0878 1.1763 1.0357 0.5089 0.6797 0.8221 0.9652 1.3466 0.9730 0.6771 1.4392 0.9078 1.3249 1.0887 0.5528 0.9842 0.5580 1.0830 1.0976 0.6689 1.0065 0.9743 1.4795 0.6900 1.6312 0.8204 0.7596 0.9468 0.8957 0.5019 0.7928 0.8329 1.0869 1.0966 0.9667 1.0321 0.5157 0.8176 0.9272 0.5342 1.1944 1.0323 0.5287 1.6403 1.0988 1.1879 1.1086 1.2253 1.2989 0.8794 1.1078 0.8568 0.9935 1.7096 1.2599 1.6760 2.0783 1.0838 1.0171 1.3598 1.1798 1.1773 2.2263 1.2547 1.2546 1.2497 0.9414 1.5730 0.9448 0.9597 1.1513 1.0254 1.2398 1.0780 0.5048 1.2060 0.5309 1.7653 1.6061 0.9703 1.4296 0.9526 1.0269 1.4048 1.0307 0.8766 0.6869 0.4973 1.0254 0.8749 0.8453 0.9817 1.1942 0.7511 1.0399 gamma-glutamylglutamine 1.5125 0.9490 1.2439 0.9147 0.7799 0.3030 0.9864 1.0584 0.9096 1.3504 0.9105 0.8959 0.8417 1.2480 0.9428 0.9970 0.8442 1.4585 1.1336 1.2167 1.4316 1.4556 0.9623 1.1680 0.9916 1.3762 0.9654 1.2721 1.7874 0.9947 1.1627 1.1358 0.8268 0.9283 1.1922 1.2812 1.1476 1.0786 1.0480 1.1660 0.8310 1.3761 1.1278 1.3605 1.0618 0.9558 0.9695 1.0030 0.8737 0.5566 0.7316 1.7095 0.9434 0.8063 0.8352 0.9401 0.9618 0.6709 1.2927 1.3865 1.1945 0.9557 0.4883 0.9205 1.0150 1.2060 1.1525 0.8481 0.6685 0.7119 0.7172 1.1154 1.2365 1.0531 1.4435 1.2953 0.9579 1.2382 1.2980 1.1749 0.9385 0.8358 1.1007 1.0109 0.7303 0.9575 0.7860 0.3405 0.8585 1.1408 1.3332 0.7821 0.8048 0.8366 1.1763 0.9083 0.8285 1.1475 0.8596 1.2241 0.7425 1.0950 1.5289 1.1933 1.5631 0.9332 gamma-glutamylglycine 1.0526 2.5574 1.2891 0.9962 0.7063 0.8552 1.1816 1.0334 0.9251 2.0945 1.1158 0.6426 0.5436 1.0958 1.1857 1.3247 0.8488 1.2375 0.8657 1.7821 1.3676 0.8584 0.9476 0.9996 0.7378 0.6346 0.9445 0.7575 1.6401 0.9510 1.1504 0.8588 0.7959 1.5315 0.9526 1.0217 0.6497 0.9982 0.8409 0.6410 1.0018 1.0181 0.6195 1.0927 0.8239 0.7722 0.6893 1.2708 0.8538 0.9078 0.4966 0.7557 0.8465 0.6874 0.9673 0.7527 1.4355 0.5433 1.1209 1.8237 1.4438 0.9213 0.8030 0.9151 1.3918 1.1264 1.8877 1.6864 2.3065 0.7419 0.8858 1.4731 2.2145 1.2271 0.7505 1.5594 0.5529 2.1799 1.1193 1.2017 1.5527 0.9444 1.0731 1.2271 0.5290 1.1701 0.7315 0.5379 0.7668 1.5104 1.4144 1.0016 0.8817 0.9530 1.0598 0.7754 1.3540 1.1208 0.8563 1.3668 1.0957 0.9111 1.3293 1.0004 1.7642 1.7972 gamma-glutamylhistidine 0.9843 1.2028 0.9807 0.6905 0.9528 0.7865 0.9187 0.6872 1.1065 2.3122 0.9442 0.4986 1.0714 1.0988 1.2295 1.1702 0.7720 0.8412 1.6454 1.0745 0.9642 1.8843 1.2510 1.5882 1.1216 1.7203 0.6798 0.7374 1.7382 0.8824 1.0304 0.8393 1.2108 1.1616 1.0137 1.4865 0.7046 0.8393 0.8904 0.7679 0.6728 0.9133 1.7448 2.7573 1.3833 0.9804 0.7150 1.4076 1.0998 0.8662 0.7958 1.4693 0.6652 0.8430 1.2594 0.8628 0.6393 0.7722 0.9284 1.4614 0.8581 1.0144 1.5309 1.0197 0.6610 1.1405 0.9158 0.9853 0.9993 2.1613 0.9084 1.5668 1.5390 0.5423 0.9328 1.0188 0.9020 1.0703 0.9936 0.7541 1.0368 0.8429 1.1734 1.4150 0.9012 0.4640 0.7408 1.2990 1.4094 1.2715 1.5893 1.2377 1.8237 0.5549 1.1068 1.0007 1.3983 1.0438 1.0130 0.9173 0.9037 0.5561 1.0826 0.5786 1.1526 0.8731 gamma-glutamylisoleucine* 0.9840 1.1522 1.1614 0.7804 1.0024 0.7365 0.6807 1.1398 0.9136 0.9024 1.0788 0.7993 1.4803 0.6917 0.8509 0.7762 0.7359 0.9854 1.3374 0.7194 0.9076 0.9920 1.2486 1.0992 0.9841 1.0117 0.9365 0.8090 1.1388 1.4732 0.7116 0.9881 1.0252 1.2246 1.3052 1.0073 1.0161 0.7188 1.1201 1.0390 0.3688 0.8906 1.1348 1.0895 1.9341 1.6833 0.9359 0.8418 1.0220 0.9702 0.7878 3.3520 0.7940 0.9926 1.0337 0.9625 0.6842 1.4382 1.1974 1.7539 0.9106 1.0178 1.0535 0.9483 1.1911 1.3338 0.9445 1.3779 1.1765 1.4139 1.2330 1.3131 1.3187 1.2256 1.0103 0.7969 1.1373 1.4371 1.3779 0.4712 0.9239 1.0157 0.8051 0.9804 0.8743 0.6628 1.0260 0.8110 0.7890 2.0455 1.9233 1.4093 1.1711 0.9976 0.9580 0.6890 1.0618 0.9808 0.6104 0.7463 1.0156 0.6108 0.8729 0.6433 1.2979 0.8667 gamma-glutamylleucine 0.9762 0.9421 1.1444 0.9648 0.9567 0.7983 0.6729 1.2226 1.2151 0.8216 1.1485 0.8275 1.5175 0.5669 0.8776 0.7876 0.6489 1.1365 1.3104 0.7266 1.0369 1.2648 1.0325 0.8945 0.9197 1.1401 1.0705 1.0289 0.8735 1.4423 0.7328 0.9325 1.2092 1.1716 1.2619 1.2755 0.8823 0.8154 1.0542 1.0523 0.3818 0.6667 1.1913 1.0593 1.1540 1.6138 1.1713 0.8195 0.9098 1.0078 0.8487 3.4755 0.8205 0.7808 0.8436 1.0368 0.7264 1.2350 0.9605 1.7779 1.2071 1.0895 0.9788 1.0212 0.9437 1.5596 0.9836 0.9922 0.9018 1.2222 1.0904 0.9751 1.0685 1.2874 1.0893 0.9536 1.2457 1.3465 1.4011 0.3591 0.9453 1.0850 0.6785 1.0813 0.7777 0.5757 1.0613 0.7743 0.8827 1.4892 1.5806 1.4048 1.3614 1.0279 1.0628 0.8542 0.9337 0.9759 0.6652 0.7978 1.0402 0.5780 0.9921 0.6103 1.1763 0.9315 gamma-glutamylmethionine 1.1626 0.9736 0.8236 1.0088 0.9730 0.6651 0.7062 0.7247 1.0601 1.1778 0.8846 0.7478 0.9706 0.8263 0.8855 0.8375 0.6285 1.0922 1.2287 1.0639 0.9987 1.4021 1.0549 0.8114 1.1416 0.9303 1.1545 1.0346 1.2862 1.0431 1.2210 0.9410 0.7174 0.6890 1.5890 1.2638 0.8844 0.7327 1.0626 1.2119 0.6881 0.7206 1.2136 1.2384 0.8796 1.4074 0.8552 0.8283 0.9132 0.5120 1.0333 1.6834 0.7985 0.8713 0.8182 1.2473 0.8796 0.9797 1.0135 1.9097 1.3968 0.9528 0.7340 1.1776 0.8643 1.4514 1.1167 0.8523 1.0013 0.8707 1.2135 1.5575 1.1054 1.2406 1.2795 1.2227 0.6547 1.4166 1.0374 0.7918 0.9529 0.9775 0.9951 1.0057 0.7612 0.6220 0.9380 0.5899 1.0155 0.9846 1.1079 1.2374 1.1473 0.8257 1.5514 0.9341 1.3142 1.0634 0.8377 1.3561 0.9370 1.0795 1.2234 0.7088 1.3472 1.2227 gamma-glutamylphenylalanine 1.2267 1.4584 1.0579 0.8149 0.7672 0.7158 0.6529 0.9760 0.8458 1.0336 1.2941 0.8719 0.8949 0.9207 1.0166 1.0110 1.0835 1.3555 1.4737 0.8729 0.9565 1.2409 1.2762 1.1361 0.8986 0.9061 1.1095 0.9467 1.4046 1.1295 0.9276 0.9750 1.1351 1.4155 1.3666 0.9725 0.9627 1.0342 1.1939 1.0510 0.6350 0.8676 1.1710 0.9957 0.9800 1.3146 0.7352 1.4430 1.0142 1.1032 1.0044 1.1993 0.9909 0.8622 0.8613 1.0760 0.7125 1.2322 0.9986 1.1004 0.9708 0.8932 0.9571 0.8758 1.0353 1.2161 1.0014 1.0306 1.3658 0.9052 1.1939 1.2784 1.2944 0.7840 1.0952 0.8902 0.6418 1.1577 1.0645 0.7518 0.9272 0.9293 0.9905 1.2315 0.7020 0.6667 0.8412 0.6933 0.8833 1.4462 1.0957 1.1826 0.9488 0.8947 0.9891 1.0026 1.0443 0.9738 0.8167 0.9100 1.1168 0.6771 1.0242 0.5355 1.4260 1.0952 gamma-glutamylthreonine 0.9865 1.1705 1.1690 0.8049 0.8286 0.6501 0.8232 0.9941 1.1456 1.1489 0.9992 0.6176 0.6295 0.6834 0.7017 0.8237 0.7209 1.2219 1.4166 0.6703 0.9993 1.1088 1.5937 1.3673 1.0748 0.5740 0.8672 0.8088 1.4725 1.1188 1.2341 0.8398 0.7263 0.9518 1.1607 1.0466 1.0206 0.7814 0.8718 0.7755 0.6750 0.9539 0.8158 1.2491 1.1489 1.1443 0.6076 1.0182 0.8984 0.8986 0.7973 0.9363 1.3922 0.7664 1.0007 1.3893 1.0824 0.9368 0.8518 1.2969 1.2680 1.0857 0.8864 1.0909 1.1269 1.6548 0.9750 1.0508 0.9643 0.9313 0.8414 1.1685 1.0501 0.7599 0.9167 0.6987 0.8612 1.7909 1.0204 0.6079 1.0640 1.0804 1.2093 1.2979 0.7749 0.5482 1.3479 0.6904 1.2564 1.0779 0.8513 1.2599 1.0299 0.8648 1.2826 1.0875 1.1384 1.1399 0.8539 0.9238 1.2422 1.3516 1.2912 0.7072 1.5764 1.2977 gamma-glutamyltryptophan 1.2552 1.4513 0.8585 1.1461 1.5183 0.9117 0.8104 0.5332 0.9307 0.7874 0.4715 1.0112 0.9091 0.6803 1.1408 0.7955 0.9706 1.1412 1.1403 1.3769 0.9490 1.3225 1.3357 0.6364 0.9530 1.0001 1.0429 0.9587 1.3428 1.3752 0.6545 1.4114 0.7252 1.0096 1.1535 0.8778 0.9929 0.7515 0.9061 0.9274 0.8637 1.0044 0.9999 1.3208 0.7885 1.1631 0.8182 1.1335 1.0141 0.7125 1.0980 1.9562 1.1503 0.9039 0.6941 0.7549 0.8234 1.0452 0.9717 1.2169 0.9861 1.1354 0.7268 0.8283 0.9687 1.2222 1.1665 0.9966 1.5088 1.1573 0.9951 1.7974 1.1104 1.0323 1.1520 0.9498 0.9129 1.5871 1.4339 0.9151 1.0527 1.1842 1.1036 1.4012 0.6730 0.6953 0.7726 0.9658 0.7571 1.2500 1.1006 1.2565 1.2938 0.9293 1.3257 1.0004 1.2983 0.9279 0.6329 1.1428 0.9037 0.7364 0.9636 0.9635 1.4424 1.0874 gamma-glutamyltyrosine 1.5590 0.9858 0.5154 0.8387 1.1689 0.9976 0.3611 0.4506 0.7918 1.3627 0.9711 1.1078 1.0435 0.7240 0.8771 0.5847 0.3611 1.5411 0.3611 1.1481 1.1695 1.7906 0.5968 1.2703 0.9888 0.5224 1.8698 1.1459 0.7793 0.6886 0.5399 0.6854 1.2189 1.3476 1.7336 1.0101 1.8084 0.9460 0.9758 1.3241 0.6288 0.6395 1.6064 1.1477 0.8584 1.6692 1.0024 0.3611 0.9339 0.5833 0.7839 2.1076 1.3143 0.8730 0.8999 1.4671 0.7444 0.3611 1.1519 1.1230 1.3887 0.9407 1.0869 0.8382 0.3611 0.3611 1.1094 0.8143 1.4645 0.9360 0.9154 1.3716 1.1680 0.3611 0.3611 1.2944 0.8822 1.8734 0.3611 0.7863 1.0052 0.6033 0.7442 1.3908 0.3611 0.6248 1.0478 0.7652 0.6201 1.2853 1.1083 1.3998 1.1644 0.4563 1.4652 1.2233 1.1986 0.8191 0.9508 1.2996 0.5081 0.8141 1.1401 0.4535 1.7132 0.6091 gamma-glutamylvaline 1.0472 1.3064 1.0019 0.8755 0.8956 0.7359 0.8627 0.9978 0.7718 0.6694 0.9681 0.8574 1.4133 0.7273 0.8524 0.8156 0.7275 1.1500 1.2499 0.7559 0.9217 1.0455 1.3468 1.0473 0.9005 1.0783 0.9083 1.0285 1.0939 1.4089 0.6663 0.8946 1.3167 1.0042 1.3262 0.9700 1.0872 1.0621 1.0495 0.9403 0.4832 1.0506 1.2942 1.0366 1.4276 1.4683 0.9977 0.8234 0.9027 1.2222 0.8361 2.2775 1.0177 0.8719 0.9784 1.0300 0.6354 1.1944 0.7916 1.2968 0.8057 0.9575 1.1551 0.8644 1.2089 1.3887 1.0655 1.2516 1.2983 1.2381 1.1023 1.2043 1.1770 0.9238 1.1192 0.7583 1.0012 1.0235 1.2448 0.4858 0.9988 1.0524 0.7470 1.1558 0.6523 0.5075 1.2547 0.6797 0.9365 1.5716 1.5504 1.4467 1.1686 1.0155 0.9968 0.8143 0.9722 0.9518 0.7056 0.7427 0.9916 0.5216 0.9305 0.6699 1.0693 0.9226 gamma-tocopherol/beta-tocopherol 0.7509 0.8001 1.0313 0.7628 0.7812 1.0570 0.7700 0.5421 1.0560 0.8872 0.8830 0.5326 2.1062 0.6060 0.4918 0.8403 1.4502 1.1633 0.3795 0.5230 0.7650 1.2968 1.0694 1.1768 1.3262 0.4437 0.5601 0.5755 1.9765 1.5409 1.3092 0.9338 0.9838 1.3286 1.1695 0.5734 0.7535 0.8426 0.8543 1.0490 0.8324 0.3983 0.3909 0.7501 1.0346 1.1283 1.5169 0.8760 1.0873 0.8286 0.9484 0.5495 1.1466 1.5286 0.8513 0.6761 1.4875 0.7505 1.3230 1.3973 1.0034 0.6413 1.0620 0.6942 0.6982 1.1333 2.1869 1.1561 1.3583 0.6082 1.0353 1.8830 1.0176 1.8871 0.6753 0.7668 1.4122 0.8398 1.0062 1.5428 0.7555 1.4951 0.9348 0.7983 0.8328 1.3663 1.1419 1.4988 0.6420 2.0731 0.9692 0.5920 0.9836 1.0122 1.0555 0.7294 2.1034 2.1242 1.3080 1.7235 0.9966 1.6225 0.9804 1.1086 1.0724 1.1379 gentisate 1.0700 1.7480 3.0178 1.6111 0.1873 0.1742 1.2175 0.7354 0.4082 1.3045 1.7515 1.1323 3.1158 1.5615 1.3758 0.9997 1.0003 1.5482 2.6093 1.1127 2.4529 1.1933 1.4097 2.5830 0.5917 0.9515 0.6841 0.8967 1.4814 1.1254 5.2010 1.3390 1.4897 7.3259 1.0754 2.3384 1.2950 1.4354 2.9885 0.7139 0.6558 3.1769 0.8678 0.4971 0.8659 3.3530 1.4883 0.5284 0.7710 2.7201 0.3868 0.3874 0.7102 1.8464 1.4306 1.0573 0.6552 1.1614 1.7755 2.0088 1.4075 1.1150 0.3785 0.5003 0.9648 0.6486 1.2643 1.1080 0.4263 1.1906 0.7181 0.8543 2.8760 0.4007 0.7217 0.7606 0.5741 0.8719 0.7780 0.2734 0.4481 0.3895 1.8321 3.3805 0.2149 1.6051 0.4305 0.3992 0.7277 0.8169 0.8983 1.1238 0.1249 0.4889 0.3747 0.4776 0.1726 1.1233 0.8409 1.3545 0.3650 0.7965 0.9374 0.9930 1.5557 0.6879 gluconate 1.2388 1.8647 0.8298 1.2332 0.6025 0.7978 0.9515 1.5049 0.7206 0.9858 1.4561 1.4025 2.4805 0.6969 1.4939 1.2196 0.9124 0.8483 0.9561 0.7630 0.6782 0.9449 1.3569 1.5005 1.1766 1.2263 0.7326 0.8860 1.4707 0.9551 0.8947 0.8764 1.2545 1.2892 0.6349 1.0026 1.5090 1.3444 1.4059 0.4822 0.7882 1.7321 1.0734 0.6959 0.6238 1.3996 0.9812 1.3985 0.6179 1.0662 0.6145 0.2717 0.7875 1.1065 1.3933 0.7901 0.6860 1.2169 0.7976 0.6196 0.7468 1.2417 1.0131 0.7132 1.6526 1.0992 1.2692 1.5686 1.8455 1.0634 1.0673 0.4170 1.4834 0.6048 1.0393 1.1299 0.3905 0.9974 1.0841 0.8038 0.9053 1.0804 1.2770 1.6177 1.2362 1.3054 0.7493 0.9241 0.7841 2.5681 1.2572 1.2498 0.8543 1.4913 0.5498 1.0440 1.2009 0.6833 0.8469 0.6490 0.4995 0.5023 0.7641 0.7848 1.3431 0.7562 glucose 1.1994 1.0217 0.7779 1.3623 1.3638 0.8545 0.6806 0.8814 0.8083 0.6344 1.6833 0.8458 2.5782 0.8623 0.9988 0.7767 0.6977 0.8410 0.8554 0.9245 0.7478 1.0227 1.0593 1.0854 1.2371 1.1815 0.7501 0.9343 1.1968 0.8386 0.7832 1.0012 1.0963 0.7042 0.8948 1.4203 1.2855 1.0391 0.9785 0.7397 0.6196 1.2473 1.1010 1.0128 0.7922 1.7744 1.4291 0.7999 0.7785 0.5796 0.7357 0.8947 0.7141 1.0509 0.8776 0.7484 0.7976 1.2404 0.8661 0.9657 0.8061 1.3233 1.7415 1.1541 1.2398 0.9288 1.4520 1.1654 1.0075 0.9423 1.3933 1.1641 1.1268 1.0318 1.3137 1.0271 0.9449 0.8191 0.9790 0.9368 0.9090 1.3115 1.2473 1.0167 1.4583 1.1298 1.3477 1.2851 1.1714 1.2609 1.2674 1.0454 1.0848 1.3106 1.2381 1.0779 1.5577 0.7084 0.8321 0.9504 0.7411 0.8270 0.7138 0.9658 0.8415 0.6781 glucuronate 1.2096 2.3407 1.3213 0.9748 0.8978 1.0375 0.7974 0.8529 0.8323 0.9604 1.1786 0.9090 1.4193 1.1865 1.1650 1.3332 1.4834 1.0911 0.9718 1.3409 0.8056 1.0535 1.0003 1.1010 0.9570 2.2019 0.9716 1.1883 2.5100 0.8659 1.7124 0.9782 4.1026 1.6952 1.1118 0.8162 1.0929 1.2713 1.1368 0.8180 0.5547 0.8787 1.1905 0.8302 3.1618 2.2261 0.9024 0.9397 0.7450 1.3379 1.0976 1.4758 1.5830 0.8799 1.0341 0.7986 0.6031 1.1787 1.0958 0.9539 0.7611 0.9488 0.9997 0.5898 1.0569 1.1424 0.8324 2.1241 1.0648 1.0137 0.9922 1.3852 0.9585 1.3434 0.7693 1.2101 0.9899 1.2395 1.2871 0.6559 0.6796 0.8961 0.8516 0.8908 0.6703 0.5871 0.6394 1.0737 1.8237 1.7473 1.0990 0.9178 0.8195 0.6874 0.7184 0.6536 1.1001 0.6590 0.5779 0.5486 0.6665 0.8230 1.0004 1.5185 1.3733 0.8632 glucuronide of C10H18O2 (7)* 2.1006 1.9706 0.2585 0.2585 0.4448 0.2585 0.2585 0.3007 0.3805 17.1447 0.6045 0.2585 13.4464 2.5845 0.4665 1.0000 0.2585 0.2585 0.2585 5.5663 0.5232 0.2585 0.2870 1.1935 0.2585 23.5919 27.0954 0.5042 1.3960 0.4658 64.6523 1.3514 0.8982 225.7478 0.2585 1.3928 1.9138 0.3928 0.2585 0.5669 0.2585 1.2928 0.5107 0.2585 0.2585 0.2585 0.2585 4.5407 0.4256 0.8040 0.2847 0.2585 1.1553 2.9440 0.5766 0.2585 0.2585 9.9173 2.9239 5.8743 0.2585 0.2585 5.9842 0.2585 0.6062 1.5096 0.3634 1.3875 0.2585 0.4732 1.2637 1.9002 2.7828 0.2585 0.4308 0.6982 0.6820 0.8911 0.5523 0.3303 0.2585 0.5536 0.4405 0.2585 0.2585 0.2585 0.2585 0.2585 2.9937 3.1002 0.2585 0.2585 0.2585 0.2585 0.2585 1.0766 0.3459 2.8799 0.2642 0.2585 0.2585 0.2585 1.8882 0.3182 0.4303 0.2585 glucuronide of C10H18O2 (8)* 0.6902 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 3.9354 0.3936 0.3936 4.6137 0.8548 0.3936 0.7131 0.3936 0.3936 0.3936 1.3016 0.3936 0.3936 0.3936 0.3936 0.3936 3.7423 7.8952 0.3936 0.3936 0.3936 12.6821 0.7834 0.3936 57.2370 0.3936 0.3995 1.2228 0.3936 0.3936 0.3936 0.3936 0.5437 0.3936 0.3936 0.3936 0.3936 0.3936 1.1155 0.3936 0.3936 0.3936 0.3936 0.3936 0.7134 0.3936 0.3936 0.3936 4.4094 1.0355 3.4527 0.3936 0.3936 3.2765 0.3936 0.3936 0.4400 0.3936 0.3936 0.3936 0.3936 0.5160 0.3936 0.6833 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 2.1499 0.9645 0.3936 0.3936 0.3936 0.3936 0.3936 0.6425 0.3936 0.5441 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 0.3936 glucuronide of piperine metabolite C17H21NO3 (3)* 1.6916 1.4262 1.1479 0.2971 1.0000 1.5683 0.6386 0.2971 0.2971 0.2971 0.2971 1.3962 1.7959 0.2971 0.2971 0.2971 0.4365 0.2971 0.7038 1.4646 0.9780 2.8580 0.6145 0.2971 0.5821 0.7137 0.2971 0.2971 0.2971 0.2971 1.6052 2.0258 1.6242 1.7817 0.6475 0.2971 0.2971 0.2971 0.2971 0.2971 0.2971 1.3276 0.2971 0.5793 1.3204 1.9006 0.2971 0.2971 0.2971 0.2971 0.2971 0.2971 1.0763 3.7184 0.5460 0.8180 0.3928 0.3279 0.2971 1.4534 0.2971 0.2971 0.5459 0.2971 0.2971 0.4268 0.4841 0.7156 1.5683 0.5096 1.3654 0.2971 0.5285 0.2971 0.2971 0.2971 1.5336 0.2971 0.2971 0.2971 1.3610 1.1176 0.2971 0.2971 1.6855 0.2971 0.5875 0.5828 0.2971 3.5620 0.2971 0.2971 0.3927 0.2971 1.2993 0.2971 0.2971 1.9026 0.9781 0.2971 0.3394 0.5616 0.2971 0.2971 0.2971 0.9591 glucuronide of piperine metabolite C17H21NO3 (4)* 1.5695 2.3679 1.3870 0.4110 1.9811 1.1368 1.0922 1.0036 0.8694 0.2831 0.6963 3.2573 4.2300 0.9088 0.0487 0.7873 1.6490 0.5054 1.2821 2.0321 1.3081 2.5585 0.8441 0.0528 1.8355 2.1720 0.7035 0.0498 0.5895 0.2301 3.0529 5.3292 4.0254 3.0963 0.5947 0.3090 0.3312 0.5251 0.3458 2.9444 0.4212 1.1907 0.4286 1.0000 3.6369 3.5771 0.8505 1.9644 0.7119 0.3035 4.9294 0.4146 1.8043 2.7881 0.5962 1.1907 0.8271 1.1469 1.0699 4.2966 0.4435 0.4286 1.2927 0.9180 0.1204 1.3467 1.1061 2.1881 1.9493 1.5059 0.8764 0.4120 0.4330 0.0487 0.3652 1.0405 2.0541 0.5040 0.6715 0.5248 1.8564 1.4427 1.1395 0.5103 4.6307 0.7404 2.0562 1.3604 0.8137 5.8971 0.1107 0.3915 1.1120 0.2370 2.1240 0.3401 0.1917 1.2931 1.2729 0.4200 0.3396 0.9697 0.5680 0.8483 2.4724 0.7579 glucuronide of piperine metabolite C17H21NO3 (5)* 2.0858 1.8143 1.1307 0.2913 1.0013 1.3767 0.5354 0.2913 0.2913 0.2913 0.2913 1.7031 1.7887 0.2913 0.2913 0.2913 0.3359 0.2913 0.4973 1.4963 0.7975 2.7415 0.6850 0.2913 0.5286 0.7286 0.2913 0.2913 0.2913 0.2913 1.3706 1.9481 1.3150 1.7260 0.5772 0.2913 0.2913 0.2913 0.2913 1.0773 0.2913 1.2131 0.2913 0.5384 0.9164 2.1138 0.2913 0.3411 0.2913 0.2913 1.8698 0.2913 1.1000 4.0358 0.4818 0.7560 0.2913 0.3555 0.2913 0.2913 0.2913 0.2913 0.2913 0.2913 0.2913 0.2913 0.6403 0.7825 1.0953 0.2913 1.3171 0.3895 0.3942 0.2913 0.2913 0.2913 1.8326 0.2913 0.2913 0.2913 1.0000 0.8331 0.2913 0.2913 0.2913 0.2913 0.2913 0.2913 0.4466 3.1357 0.2913 0.2913 0.5653 0.2913 1.6821 0.2913 0.2913 2.0768 1.1964 0.2913 0.3713 0.4803 0.2913 0.2913 0.6453 0.8006 glutamate 0.8669 0.7994 0.7935 0.6900 1.1662 0.9611 0.4445 0.8143 0.6154 0.8638 0.5516 1.1401 1.2224 1.0979 0.9123 0.7303 1.0119 1.0668 1.4569 0.7874 0.6135 0.6659 1.2367 1.6773 1.3692 0.5957 0.7371 0.3206 0.7712 1.1210 0.5329 1.0344 0.9894 1.0533 0.7092 1.9943 1.2664 0.9376 0.9006 0.8529 0.4416 0.6911 0.8517 1.1585 1.4613 1.5206 1.3824 0.4555 0.9619 0.9588 0.7906 1.1503 0.5721 0.5751 2.4281 1.5923 0.9782 1.3320 1.0794 0.8647 0.8742 1.0106 1.6836 1.1237 1.4974 1.1866 1.4244 1.4757 0.9346 1.1955 1.3773 0.7044 0.7968 1.0773 1.5588 0.9856 1.4450 0.8563 1.4843 0.6710 0.6689 1.2250 1.2102 1.8249 1.5594 0.3731 1.5126 1.2705 1.8373 1.2756 1.0131 2.0826 1.3724 1.6649 1.2790 1.2563 1.0387 0.4781 0.6425 0.5492 0.9864 0.9187 0.6210 1.2735 0.6262 0.7863 glutamine 1.1130 1.1901 1.0767 0.9151 0.8204 0.8354 1.0151 0.9624 1.0194 1.0977 0.8666 0.8839 0.7691 1.0176 0.9589 1.0890 0.7922 1.2800 1.0231 1.0941 1.0678 0.9630 1.0036 0.9784 0.9390 0.9911 0.9677 1.1153 1.0614 0.9495 0.9630 0.9955 0.8454 1.0791 0.9490 0.9842 0.9067 0.8840 0.9166 0.9417 1.0156 1.0006 0.9421 1.1778 1.0745 1.0044 0.9203 1.0046 0.9582 0.7365 0.9497 1.3224 1.1191 0.8427 0.9467 0.9720 1.1299 0.8280 1.0685 1.1442 1.0874 0.8351 0.7825 1.0786 1.1202 1.1816 0.9994 0.7830 0.9812 0.7980 0.8957 1.1827 1.1055 0.7654 0.9769 1.2406 0.8442 1.2832 1.0755 1.1141 1.0894 1.1754 1.1680 1.1022 0.7289 0.7234 0.9723 0.7372 0.9062 0.9731 1.0499 1.0592 0.8613 0.9131 1.2024 1.0285 1.2127 1.0016 0.9739 1.6240 1.0912 1.0818 1.2305 0.9083 1.1009 1.1867 glutamine conjugate of C6H10O2 (1)* 0.8078 3.5828 1.9323 0.7662 1.6968 0.7537 1.4107 0.2423 0.5787 1.6831 1.4616 0.7487 1.2899 3.4500 1.0068 3.9350 2.6270 0.3214 0.5969 1.4954 2.0086 0.5304 0.7497 0.8830 1.8851 0.7740 0.1945 0.4473 7.0244 0.3044 0.9204 0.2963 1.4331 1.3384 1.2221 3.0249 0.3290 1.4550 1.5307 2.5591 0.3395 0.2935 1.1818 0.8283 1.8499 0.7954 1.6952 0.9811 1.7356 0.3746 0.3082 1.8463 0.4287 0.3261 0.6751 1.0262 0.6687 0.9733 1.1076 0.4960 0.8769 0.5506 4.6883 0.5285 1.3596 2.1771 0.4946 2.8608 3.1163 0.7004 0.9102 0.6480 5.6867 6.6246 0.8842 2.2438 1.5239 8.1554 3.8833 2.3553 0.6773 1.2749 0.7585 1.5292 0.9685 0.8992 0.7523 0.6308 1.1259 2.0793 1.5813 1.8910 3.0589 0.6673 0.5381 1.0489 0.7028 0.9932 0.2429 0.9606 1.0480 0.4150 1.2443 0.7514 2.4167 1.4636 glutamine conjugate of C6H10O2 (2)* 0.8153 2.5647 1.7294 0.6135 1.6116 0.7534 1.8081 0.1892 0.3034 1.3677 1.6547 0.9087 1.4677 3.3111 1.0211 5.8706 2.4272 0.2416 0.6155 1.3235 2.8462 0.3452 0.9807 0.5852 1.6344 0.5173 0.2142 0.4235 6.7087 0.4208 1.1323 0.2358 0.9797 1.2427 1.0762 2.8694 0.3781 1.4927 1.6378 4.0753 0.3856 0.2596 0.8153 1.1214 1.5143 0.6762 1.0436 1.1284 1.3233 0.2392 0.3749 0.7746 0.4670 0.2246 0.6043 0.8626 0.9823 0.7344 0.9417 0.4669 0.8206 0.6844 7.1624 0.6549 1.2985 2.4004 0.3587 4.1191 3.0885 0.7673 1.3810 0.7174 7.9985 8.0454 1.6356 1.5616 0.9095 16.0100 3.5308 2.9224 0.5983 1.7603 0.4750 1.1343 0.7794 0.9478 0.9171 1.5301 1.1475 2.0190 2.1048 1.5043 5.1236 0.8937 0.6801 0.8840 0.6101 1.0642 0.0954 0.7458 1.6613 0.3938 0.9881 1.0119 2.2592 1.2297 glutamine conjugate of C7H12O2* 0.9993 3.6604 2.2405 0.2578 1.6575 0.9816 1.5207 0.1073 0.4467 1.3991 1.8738 0.9940 1.5424 3.5179 1.2028 6.1151 3.8422 0.1199 0.5481 1.6328 3.2121 0.2740 0.8023 0.6931 1.9550 0.6088 0.1152 0.5061 10.5064 0.3301 1.0059 0.2201 1.0500 0.6409 1.3162 3.3272 0.2881 1.6021 1.7986 5.5799 0.3502 0.3956 0.9988 1.2298 0.8760 0.4123 1.4759 1.6732 2.8839 0.2882 0.3046 0.8660 0.5918 0.1608 0.5529 0.7847 1.0159 0.8451 0.6165 0.3885 0.5054 0.4498 5.3149 0.7082 0.8502 2.2009 0.4541 3.1871 3.3636 0.7482 0.8706 0.4476 10.2139 11.0346 1.2764 2.5776 0.6345 14.2399 4.2798 3.6885 0.7556 1.7127 0.7629 1.5354 0.8507 1.1429 0.9746 0.7037 1.1228 1.9287 1.7831 1.7209 4.0555 0.7158 0.6521 1.0007 0.5447 1.4361 0.0930 0.7380 1.4698 0.2802 1.6131 1.4268 3.4387 1.2986 glutarate (C5-DC) 1.1687 1.0049 0.9092 0.7700 0.6133 0.5548 1.0196 0.7856 0.6194 1.9366 1.1208 0.8297 1.4310 0.9492 3.7894 1.5520 0.9448 0.9041 1.0502 0.9673 0.9989 2.4859 1.0169 0.9727 1.0297 0.5286 1.5423 0.4184 1.0032 0.9897 1.3629 0.8632 1.1517 1.0723 2.5333 2.2162 0.7570 0.6613 0.8399 0.5422 0.8350 0.6617 0.7659 0.7054 36.5779 2.8635 1.0484 0.4184 0.5390 1.1640 0.7723 15.1814 0.8901 1.0959 1.2210 0.5146 1.6565 1.6475 0.6092 3.7488 0.8923 0.5301 1.4778 3.5146 0.6205 2.0252 1.0781 0.6912 1.0256 1.7292 1.7347 0.8859 6.8011 0.9771 0.5495 0.5759 4.9915 2.1793 1.4757 5.4381 1.1011 0.9801 0.4710 0.8119 1.4592 1.1745 0.4785 4.7391 0.4184 1.0011 1.5982 0.8144 1.4701 6.3431 4.0009 0.5634 0.9174 1.5173 0.6304 0.8495 0.6922 0.9122 0.8731 0.9685 1.1715 0.5076 glutarylcarnitine (C5-DC) 0.8514 1.4073 0.2918 0.2819 0.2408 0.5320 0.6543 0.2408 1.2834 0.2408 0.8181 0.6130 1.6350 1.5407 0.5067 0.8338 1.2556 1.4799 1.1938 1.7080 0.6881 0.3978 0.7153 0.3074 0.3097 0.3468 0.8072 1.0904 0.2408 1.5290 0.7189 0.4638 0.8158 1.8992 2.5136 0.7512 0.9292 1.2200 0.9442 0.2856 0.9436 1.3443 0.4873 0.7659 1.4416 1.1497 0.2408 0.4311 2.0989 2.5728 1.3942 0.4445 1.6342 1.0586 0.7472 0.6190 0.9519 2.6186 1.0568 1.5105 1.1947 0.9683 0.5941 1.3390 0.6902 1.8340 1.5047 1.1173 1.4869 1.3093 1.0000 1.4677 1.4900 0.2408 0.6090 1.2039 0.7151 1.1362 1.1941 1.0186 1.9623 0.6358 0.8131 1.7277 0.6120 0.8924 1.6839 0.9031 1.1393 0.8260 1.1274 1.1700 0.7969 1.0080 0.7173 1.7686 0.9949 2.0524 0.6275 0.8513 1.2052 0.5424 0.8427 1.0614 3.0610 1.2538 glycerate 1.0873 1.3779 0.6447 0.7534 1.1589 1.2355 1.2446 0.6697 0.9714 1.1282 1.0000 1.0966 1.1067 1.1557 1.0925 0.6779 0.6102 0.9124 0.9093 1.0000 0.8703 0.5821 0.7158 0.8393 0.7516 0.6909 1.1176 0.8272 0.3207 0.4810 1.2038 1.1218 0.7590 0.7563 0.5248 0.5351 1.5602 0.4559 1.2771 0.7524 1.2220 1.1490 1.1803 0.5368 0.5785 0.8182 1.0021 0.8302 1.0659 0.9935 0.9169 0.4898 0.9303 1.0173 1.1746 0.9016 0.6385 1.0957 0.7137 1.3316 0.8037 1.1193 1.1157 0.7293 1.0945 1.2580 1.2469 1.0907 1.1520 0.9563 1.1763 0.7868 1.3090 0.7720 0.8673 1.2648 0.4580 1.3504 0.6778 1.1039 0.8670 0.9059 1.6317 1.2921 0.8268 1.0968 0.9518 0.6931 1.0196 1.1709 0.6885 1.1624 1.2466 1.0668 1.0958 1.0652 0.4881 1.1141 1.2864 1.0793 1.1789 0.6732 1.1395 1.1425 0.9579 0.7782 glycerol 0.8097 0.7463 0.9767 0.3289 2.2823 1.0075 0.8894 0.2889 1.1973 0.8203 0.9793 0.9691 0.8478 1.7270 1.7335 1.2151 2.1774 0.5516 0.5176 0.7493 0.6861 1.0066 1.4262 0.9836 1.0531 1.1381 0.6532 0.8529 1.9776 1.6950 1.0867 1.5260 0.9941 1.0217 0.4665 0.9808 1.0027 0.8760 1.2351 0.6618 0.6743 0.9925 1.2153 1.6171 1.1146 1.1843 0.8435 0.8258 1.3348 1.1077 1.1256 3.2687 0.7381 0.5891 0.8757 0.7618 1.2538 1.1679 1.5466 1.4550 0.6988 1.0519 1.9867 0.8014 1.4604 0.4783 1.5142 0.9169 1.6123 0.9497 0.9973 2.7496 2.7840 1.3955 1.5358 1.3966 0.7629 0.7548 2.0850 2.5916 0.5111 3.1399 2.0332 1.7601 0.4972 0.7546 0.7787 1.7796 1.4931 1.9251 2.3108 1.1904 0.6354 1.0345 0.9113 1.7597 1.4201 0.6153 0.3104 0.7492 0.6269 0.6949 0.8105 0.8539 0.7506 0.8227 glycerol 3-phosphate 1.2080 2.0544 1.7352 1.8719 1.8699 1.0313 1.1107 2.0763 1.2029 5.3466 1.5004 1.5301 1.1170 0.6525 1.9395 0.9906 1.1205 2.6308 1.3398 1.1337 1.0094 1.8939 0.9262 1.5582 1.1619 1.9411 1.3549 2.9429 1.2961 1.2443 1.7200 1.8528 1.1431 1.3123 1.2207 1.3093 0.8502 0.5513 1.2847 1.0696 0.8800 0.9701 0.6598 0.8876 0.8284 1.8264 1.5778 1.3444 1.0639 1.2685 0.8749 1.9843 0.6568 0.9240 1.0829 0.8069 1.1090 1.0484 1.5073 1.1564 0.9803 1.5253 0.3707 0.4530 0.5950 0.4406 0.7107 0.3978 0.6612 0.7398 1.1235 1.3168 0.8939 0.3587 0.2844 0.4537 0.7511 0.5243 1.1994 0.5362 0.2474 0.7171 0.9258 0.3757 0.2326 0.6049 0.2326 0.3879 0.2637 0.5894 0.8674 0.7045 0.2326 0.3945 0.3514 0.7644 1.2790 0.2326 0.7144 0.8173 0.9298 0.5616 0.2356 0.2326 0.5128 0.5386 glycerophosphoethanolamine 1.6164 1.5038 2.0082 4.6918 2.8239 0.6392 0.5352 2.3313 0.6533 3.0422 2.4540 1.4285 1.8676 0.5054 2.3110 1.9140 0.4677 2.5853 1.0780 0.6640 1.3554 2.0868 1.0980 1.8294 1.8682 2.4936 0.8149 2.3033 1.6889 0.5179 2.3584 2.0188 1.3593 0.6324 0.3231 2.1655 1.1918 0.4850 1.7019 1.1996 0.5595 1.4277 1.5799 0.5973 0.6490 1.3232 2.0038 1.3296 0.5117 0.4397 0.3470 1.3281 0.7821 0.4990 1.5898 0.6551 0.3430 0.3566 0.9896 1.5219 0.3685 0.7231 0.4826 0.4474 1.5785 1.2410 1.0688 1.2107 0.4649 1.0383 0.3516 0.4933 0.6254 2.1234 0.6682 1.2590 0.8165 0.7724 1.2426 0.8862 0.5128 0.5018 1.8617 0.8085 0.9232 1.1245 0.8112 0.7982 0.6150 1.6193 0.4412 0.4458 0.3960 0.9487 0.6085 0.3935 0.4860 0.6415 1.0104 1.1381 0.3486 1.4405 1.3296 1.1396 0.9291 0.6947 glycerophosphoinositol* 2.9903 1.0000 4.0554 6.4271 5.5344 0.3654 0.0543 2.2237 0.1645 11.3129 5.5828 2.2371 2.3345 0.0347 2.4421 2.6903 0.0347 6.7416 0.4018 0.1560 2.2797 4.5443 1.5868 2.4320 3.0389 4.7748 0.9747 5.3299 1.4185 0.0649 3.9850 3.5394 0.9073 0.1342 0.0347 3.1102 1.1935 0.0347 3.4085 1.2563 0.0347 1.6748 2.5958 0.1638 0.0901 0.6973 3.0344 3.4734 0.0347 0.1881 0.0347 1.1664 0.0347 0.0347 2.0033 0.2803 0.0347 0.0347 0.8725 2.2091 0.0347 1.0840 0.0347 0.0347 1.8922 0.8649 0.5138 0.4496 0.0347 0.8848 0.0347 0.0347 0.0347 0.8301 0.0347 0.5234 0.1191 0.1384 0.6552 0.4470 0.0347 0.0347 3.2709 0.0347 0.4923 0.5750 0.1218 0.1943 0.0347 0.2968 0.0347 0.0347 0.0347 0.5964 0.0347 0.0347 0.0347 0.0347 0.7875 0.8460 0.0347 1.1205 0.8889 0.3283 0.3789 0.0347 glycerophosphorylcholine (GPC) 2.8629 0.6550 1.7303 1.9278 0.6791 0.9834 2.0133 1.8256 1.2814 1.6917 0.8846 0.6257 0.6331 0.7019 1.0837 0.9516 1.0416 1.7353 0.4587 0.8812 0.9497 0.8946 0.7797 0.6179 17.0562 1.2786 2.3635 1.3369 1.1921 0.8471 10.9687 0.8073 0.7129 1.1761 0.8363 0.8159 1.0671 1.0068 1.0631 1.7775 1.8886 1.2926 0.8314 0.4256 1.1780 0.5871 0.8082 1.4603 1.3946 1.1842 0.9495 0.6247 2.4006 1.1040 0.7493 0.7576 0.9910 0.7957 0.7600 0.7105 0.7844 0.7610 0.9149 0.9370 0.8982 1.1068 0.9688 1.0310 1.2752 0.5667 0.9932 1.2148 1.0324 0.9896 0.5621 2.0299 0.6924 1.2481 0.7928 1.1055 1.6241 1.0359 1.0617 0.8541 0.6080 1.3956 0.8755 0.6734 0.8026 2.7556 0.7056 1.3301 0.5360 1.1290 0.9467 1.0694 1.6483 2.1635 1.7517 1.4724 0.7842 0.9786 7.9727 1.4138 1.6360 2.8763 glycerophosphoserine* 4.1595 0.8423 1.0073 4.8901 2.7579 0.1918 0.4269 6.0849 0.1918 10.2534 1.1190 1.7039 1.9165 0.6166 2.4797 5.2691 0.3347 2.4969 0.9927 0.5038 3.9654 4.0105 1.3213 2.0287 3.8255 5.4480 1.1804 3.7220 2.2652 0.1918 2.0558 4.7468 2.3276 0.6553 0.1918 5.4013 1.2563 0.3542 2.5383 1.8096 0.1918 2.1533 3.8095 0.1918 0.5517 0.7985 2.0185 1.4442 0.3012 0.1918 0.1918 0.7361 0.4014 0.3146 1.9037 0.6403 0.4029 0.1918 1.3306 1.1888 0.2567 0.5632 0.1918 0.1918 3.3238 0.9726 0.7514 1.3881 0.3469 0.6447 0.2533 0.1918 0.5224 2.3321 0.4611 0.7624 0.1918 0.5382 0.8691 0.5015 0.3401 0.1918 1.9448 0.1918 1.1310 0.6563 0.9209 0.8558 0.3092 0.5580 0.3064 0.1918 0.4168 0.9428 0.3542 0.1918 0.1918 0.3113 1.1347 0.8311 0.1918 1.5552 1.4251 1.2578 0.6831 0.5448 glycine 0.9241 2.2756 1.1328 1.0334 0.8612 1.1048 1.0356 1.0409 0.9070 1.7639 1.1531 0.6825 0.6337 1.1368 1.0903 1.0624 0.9065 1.0041 0.7821 1.8798 1.4145 0.9123 0.8864 0.8577 1.0233 0.6403 0.8870 0.8453 1.1064 0.8392 0.9380 0.9785 0.9377 1.1698 0.7336 1.0045 0.6821 0.8905 0.6879 0.7029 1.1398 0.8216 0.7649 1.0397 0.8981 0.8147 0.8545 1.0404 0.8930 0.7736 0.8054 0.7098 0.8714 0.9442 1.0602 0.7781 1.5784 0.6242 1.1413 1.5751 1.2115 1.0823 0.9277 1.1105 1.2287 0.9722 1.7072 1.4388 1.7130 0.9110 0.9572 1.2617 1.5729 1.0730 0.8156 1.6138 0.4520 1.5918 0.9691 1.3247 1.5785 1.1022 1.0433 1.1177 0.5746 1.2298 0.9067 0.5997 0.9959 0.8787 1.1339 0.8693 0.8703 0.9183 1.1818 1.0261 1.3543 0.9704 0.9940 1.5868 1.0697 0.9399 1.0938 1.1228 1.1212 1.4662 glycine conjugate of C10H12O2* 1.0041 2.6555 1.1498 1.4099 0.2914 0.3886 0.2914 0.7551 0.6229 0.6172 1.2503 1.6841 0.3612 1.9760 2.0010 1.7557 1.3002 0.3424 0.8892 0.8599 0.7611 0.2914 0.9097 1.0139 1.4119 0.9641 0.3988 0.2914 2.4927 1.0775 0.4997 2.2521 1.4359 3.3972 0.9472 1.0524 0.2914 1.4718 1.0824 1.4398 0.2914 0.2914 0.5664 0.3874 0.2914 0.2914 0.6212 0.2914 1.2157 0.8871 0.5053 0.2914 0.2914 1.5376 0.5876 0.5311 1.4694 0.2914 1.7335 0.5005 0.6119 0.3066 0.9750 1.3374 1.1906 0.9547 0.8883 1.9186 2.5108 0.4073 1.5787 2.0922 2.4814 0.8017 0.8497 1.5146 0.2914 0.4842 1.1830 1.0257 0.2914 0.2914 0.9061 0.9959 1.1612 0.3542 1.5998 0.3301 0.6216 2.3366 0.7828 1.1511 2.6727 0.3539 0.8259 0.9669 1.9691 1.5226 0.2914 0.4372 1.3583 0.5642 0.4601 0.8796 1.1568 1.2317 glycine conjugate of C10H14O2 (1)* 1.0760 2.3971 1.3409 1.3424 0.6544 0.8015 0.6688 0.8447 0.6472 0.4502 1.6079 1.2982 0.7517 1.4014 1.4065 1.7044 1.1138 0.3099 0.5960 1.2912 0.8789 0.2227 1.0118 1.1709 1.6330 0.3586 0.3380 0.3522 2.1647 1.1252 0.5059 2.4650 1.7549 2.2488 1.0898 1.1919 0.1197 1.5381 0.8645 1.7001 0.4923 0.3242 0.7599 0.4872 0.1197 0.2908 0.7668 0.4965 1.0164 0.5922 0.5961 0.2339 0.1197 1.5611 0.8086 0.8504 1.3496 0.1946 1.9788 0.7169 0.8997 0.3370 1.2876 1.2812 1.2987 1.3381 0.9396 1.4190 2.0134 0.5256 1.4811 1.7064 2.2769 1.3745 0.9705 1.0242 0.2480 0.7358 1.0826 0.7966 0.5742 1.2308 0.9558 1.4982 1.0000 0.5174 1.9736 0.4158 0.6414 1.7566 1.0322 1.0818 3.1652 0.5870 0.9681 0.8667 1.4852 1.5066 0.1197 0.8233 1.5993 0.9667 0.6941 0.8590 1.3547 1.4997 glyco-beta-muricholate** 1.0248 2.0839 1.2841 0.2615 0.8179 0.2615 0.2615 8.3715 0.3583 2.8911 0.2615 0.6654 1.5688 2.6271 0.2615 0.2615 3.4318 0.6425 2.2071 0.2615 0.2615 11.4699 4.1179 0.6667 0.4737 0.4724 1.2493 1.1349 0.2615 0.3542 1.7791 0.2834 1.0210 0.5186 0.2615 0.2615 0.7519 0.2615 0.6889 1.8016 0.3968 0.2615 0.2615 0.2615 1.6672 0.2615 0.2615 0.2615 4.3924 0.2615 0.2615 0.6288 0.2615 1.6683 0.5008 3.2655 1.5123 4.2391 1.4024 0.2615 0.4593 0.2615 0.7124 0.7550 0.2615 0.7205 1.4413 0.2615 0.5647 0.2615 0.3837 3.0221 0.2615 0.2615 1.0000 0.2615 0.8049 0.2615 0.2615 2.3643 1.6821 0.3610 0.2615 0.2615 0.2615 1.6112 0.2615 0.2615 0.5908 0.2615 0.6632 0.2615 0.2615 0.2615 1.0519 0.2615 0.4339 0.2615 0.2615 0.2615 0.3721 0.2615 0.2615 0.8699 1.4144 0.6999 glycochenodeoxycholate 2.0041 0.7929 0.7831 1.8064 1.8590 1.1836 0.7348 1.5648 2.1052 3.6432 3.6183 0.4619 0.1696 0.4933 3.9501 1.0778 1.6231 2.2511 0.5665 0.1967 2.5685 2.0599 0.9072 1.6787 1.3322 0.6005 0.9925 0.6915 0.2883 4.7120 1.6638 1.0287 1.7857 1.0885 0.6488 1.2587 2.7539 0.6601 1.4192 0.7174 3.4334 0.8596 1.0145 0.4668 2.8821 1.5882 1.9630 1.1048 0.7869 0.4562 0.2863 2.3372 0.3736 0.6816 0.9652 1.6360 0.6451 1.5995 0.9782 0.9488 1.8545 0.3170 1.8443 1.2439 0.5971 0.2139 3.1936 1.9368 0.4342 1.0075 1.5005 0.8769 0.4501 0.4408 0.8888 0.8974 3.6935 0.2291 1.6611 1.7613 1.6994 1.3644 0.4042 0.6096 1.9735 0.3391 0.2816 2.8311 0.3515 2.1141 0.7741 1.2787 1.7109 0.2449 1.1835 0.0538 1.1706 0.2790 0.2561 0.6567 0.5929 0.2904 0.6033 0.5255 1.7228 0.4072 glycochenodeoxycholate 3-sulfate 2.7540 1.0438 0.4345 1.8755 4.5811 1.7551 0.6485 0.8488 0.7130 2.4641 0.5776 0.7826 0.2605 0.8324 0.6994 1.4188 3.2311 2.4187 0.9418 0.6197 4.4945 3.6278 0.6097 0.3252 1.1937 0.9865 0.5476 1.0414 0.5648 3.0643 0.4013 1.0191 0.9703 0.8475 0.2737 2.6600 1.0913 0.9674 0.9043 1.5747 1.6872 0.9670 0.9361 1.1216 4.8466 2.1412 1.3485 2.2566 2.5756 0.8071 2.3407 2.0536 0.8897 2.1710 1.3166 1.4124 1.1724 3.7035 0.7226 0.1447 2.3941 0.4688 2.0794 0.4221 0.1962 0.5178 1.5347 2.1022 0.4638 1.1583 1.7066 0.3863 1.0135 0.8730 0.4751 0.7081 4.6011 0.5758 0.9222 3.2040 0.9102 1.8022 0.2107 0.5954 2.9610 0.8040 0.9321 6.0018 1.5267 0.3584 0.7005 1.2792 1.9819 0.6384 2.5294 0.1628 0.1733 0.2306 0.4699 1.7846 0.7460 1.4732 1.3469 1.2402 1.8418 0.2313 glycochenodeoxycholate glucuronide (1) 2.4983 1.2171 1.6871 0.5257 1.7919 2.3560 0.4684 2.7427 0.7089 1.7015 0.6777 1.0257 0.5752 1.1930 1.6491 4.4821 1.3485 0.9120 2.5847 0.5082 0.6340 1.4057 0.5526 2.1346 1.3377 2.1024 0.4519 0.4950 0.8264 0.5823 1.0263 2.1404 1.3255 1.1861 2.2550 1.3300 1.5365 0.2357 2.0122 0.7361 0.2078 1.1944 1.5243 1.0059 2.6226 1.2043 0.8830 0.6901 1.0420 1.3676 2.4559 5.5084 0.3320 1.7967 0.6732 4.0956 0.6861 15.8396 1.4110 0.6776 0.3556 0.3806 1.2423 1.5879 0.3458 0.7156 0.9941 2.1186 0.3318 0.6148 1.7192 2.9356 0.6689 0.3446 1.0059 0.5681 5.5767 0.2957 0.7324 0.5796 1.4883 0.9273 0.3662 0.7368 2.2708 0.1452 2.0293 4.5443 1.5701 0.6340 0.7133 0.6760 0.6608 0.9940 1.2147 0.3621 0.8866 0.8387 0.1576 0.2221 4.3062 1.2016 0.3332 0.3640 0.9289 0.4135 glycocholate 1.3084 1.0394 0.3152 3.7527 4.1286 1.4155 0.6840 2.0368 1.2616 5.9156 4.8188 0.2882 0.3069 2.8492 2.7372 0.6036 1.7241 8.5244 0.6927 0.7392 1.7649 1.7399 0.9567 0.9651 0.9455 1.9409 0.3411 0.5160 0.5682 4.1988 1.6660 0.6617 3.6511 1.2762 0.2119 0.8352 3.5544 0.1568 0.9828 1.0607 11.3896 1.2251 0.9131 0.2165 2.9353 1.1771 2.8643 1.0561 0.4976 0.2704 0.9627 1.0697 0.1830 0.6919 0.5553 0.7330 0.6994 1.5256 1.4029 0.2061 1.2891 0.4680 1.9624 1.4405 0.5295 0.6159 5.5104 1.0347 0.3535 1.3845 1.3489 1.6311 0.3447 1.0800 3.8703 0.2661 3.1216 0.1241 1.2628 1.1260 1.0172 0.5155 0.4499 0.8053 1.7840 0.2510 0.3423 2.8247 0.8227 1.2775 0.6694 2.2496 1.2627 0.2364 1.2706 0.1523 1.1142 0.2645 0.3581 0.4356 0.4925 0.2834 0.3188 0.8324 2.5313 0.1720 glycocholenate sulfate* 2.4102 0.9842 2.0628 0.7458 1.4704 0.7073 0.6878 1.2813 0.8719 1.0343 1.0246 2.1544 0.5230 1.8053 1.5227 0.8663 0.5738 0.7899 1.3372 1.4218 1.0126 1.0702 0.5725 0.9456 0.9076 0.9636 0.6179 0.8474 0.2793 0.1897 0.4237 1.2904 0.9732 0.7514 0.6394 1.0046 0.6764 1.1080 0.8639 1.0233 0.9485 1.2733 0.7961 1.3755 0.8456 0.4563 0.7358 1.1990 1.0153 1.4915 1.7974 2.7988 0.3319 1.3590 0.9962 1.8706 0.4829 3.0474 0.7801 0.6669 0.7464 0.4110 1.1008 1.2139 0.8878 0.5216 0.9390 0.3536 0.9658 1.1466 1.6969 0.4597 2.0904 0.1692 0.9314 1.0666 1.1995 1.0038 1.1033 0.6284 1.0249 1.4252 0.5421 1.1738 2.1138 0.2944 1.5122 2.2784 0.7886 0.5767 1.4145 1.0526 0.8006 1.1382 1.4366 1.3488 0.9533 1.5751 0.7379 1.4481 3.6083 1.5557 1.0723 0.5025 1.9377 0.9585 glycodeoxycholate 0.9994 1.8509 1.1563 0.6038 3.4732 1.3300 0.9109 2.1834 1.7592 4.5975 0.0442 0.1699 0.5392 0.8311 3.3142 0.8759 0.9015 3.3400 0.7221 0.2456 0.0442 1.9959 1.0741 3.1712 1.2084 0.9844 0.4023 0.1792 0.4627 0.5784 2.3311 1.1224 3.2841 1.7274 1.4541 1.1543 4.0922 0.0442 3.0534 0.9204 1.6699 1.7747 1.1574 0.5992 2.1218 1.3322 1.6397 1.0079 0.6775 0.1906 0.2029 1.7035 0.1671 0.5544 0.8808 1.5308 1.0006 4.1755 2.6839 1.0876 0.5895 0.2725 2.1047 3.0482 1.3994 0.3111 3.3276 1.2551 0.4282 0.4528 1.8560 5.7566 0.2404 0.3358 1.8727 0.0442 1.4414 0.0442 1.1651 0.8961 0.9645 0.5169 0.7140 0.4062 0.8167 0.3882 0.6143 2.4102 0.1355 2.7036 1.8707 0.4509 0.5043 0.3611 1.2659 0.0442 1.1531 0.3213 0.0442 0.0442 0.4639 0.2722 0.0442 0.2730 0.4677 0.3936 glycodeoxycholate 3-sulfate 1.5432 2.8247 0.8514 0.4373 4.6075 2.2540 0.8929 1.1909 0.7195 2.6166 0.1345 0.1815 0.8097 1.0224 0.8094 2.6831 2.2400 2.3786 2.3124 0.3515 0.2731 2.1655 0.5296 0.9406 1.0710 1.1566 0.4048 0.3290 0.4554 0.2795 1.0777 1.3103 1.5546 1.1000 0.6647 2.3261 1.4764 0.0747 1.5988 1.0620 0.6018 1.4876 1.0101 1.8417 1.8957 1.5407 1.1304 2.2197 1.4395 0.7003 2.5356 3.0947 0.2021 1.8516 1.0000 2.6280 1.8547 11.2691 1.3299 0.2910 0.8040 0.3257 1.9742 0.9953 0.3737 0.3966 1.3754 1.7602 0.3357 0.3097 1.8323 2.0228 0.8264 0.8734 0.7611 0.0747 1.9382 0.0747 0.6893 1.6007 0.7770 0.9392 0.4967 0.7520 2.1805 0.8668 2.1942 6.3158 0.5873 0.3900 1.0179 0.2538 0.4922 1.0174 2.1059 0.1881 0.2074 0.4250 0.0747 0.0816 1.4159 0.9960 0.1247 0.6023 0.4178 0.2384 glycolithocholate 0.4312 0.9983 2.7800 0.1468 1.9181 0.1468 1.5580 1.1913 1.1147 1.2653 0.5402 0.5320 0.6995 0.1468 1.5098 1.2420 0.1468 2.3882 0.1468 0.1468 0.1468 0.9030 0.4935 1.8117 1.5434 0.2870 0.1590 0.1468 0.1468 0.1468 2.2281 0.7495 4.0924 1.2209 1.8657 0.6665 1.6000 0.1468 3.3315 0.2897 0.3284 0.1468 0.9570 0.7865 0.3521 0.7478 2.1940 0.9607 0.2239 0.1885 0.1468 0.1468 0.3266 0.7336 1.5827 1.7518 1.0017 1.4802 1.9698 1.6907 0.3919 0.2864 1.3954 1.7147 0.2193 0.2039 4.2177 0.5069 1.1395 0.1715 1.1125 4.3517 0.1468 0.1468 1.2665 0.1468 0.4777 0.1468 3.3050 1.6522 0.7758 0.1468 0.1468 0.5987 0.6237 0.6780 1.0701 3.0577 0.1468 0.4820 1.0312 1.9806 0.1468 0.7145 2.5314 0.1468 11.7326 0.1468 0.1468 0.1468 0.4855 0.1468 0.4189 0.1468 0.1468 0.1864 glycolithocholate sulfate* 1.6388 1.2668 2.1535 0.9541 3.6969 0.9951 0.7128 2.7117 0.6649 1.4290 0.5362 0.5839 0.6349 0.6882 0.4659 2.3604 0.4647 3.0708 0.6896 0.3503 1.0485 1.3579 0.5610 1.3459 1.3509 1.1475 0.2819 0.2520 0.5045 0.5449 1.1158 1.1513 1.3565 1.1938 0.9779 1.4421 1.8414 0.3748 2.5191 0.7879 1.0556 1.4726 1.3848 2.6852 0.4229 1.3096 1.3818 1.8249 0.9292 1.0265 2.3116 1.0045 0.4592 2.3105 0.9539 1.7662 3.8262 5.2706 1.8337 0.7368 0.6482 0.7463 1.7916 1.3728 0.5785 0.6219 2.5680 1.6086 0.6961 0.6212 1.8627 1.5980 0.5501 0.1963 1.2728 0.0080 0.9174 0.1755 1.7321 0.9916 0.4289 1.3372 0.4182 0.5585 1.5916 0.5763 1.3745 3.4272 0.4045 0.3586 1.0680 1.0324 0.3023 1.4375 3.4928 0.5672 1.5333 0.4972 0.0869 0.5095 1.5631 0.9955 0.4714 0.2611 0.8567 0.2174 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* 1.0428 1.2362 1.3333 0.9939 1.2800 0.6863 1.4905 1.2387 1.1517 1.9790 1.5444 0.8812 1.4008 0.7238 1.4952 0.8080 2.1150 1.6915 0.5232 1.4955 0.5897 0.8320 0.9484 1.4568 0.6614 0.9731 1.0140 1.3433 1.9227 1.0763 0.8815 0.9939 1.1102 1.5771 0.7190 0.7334 0.8224 1.5052 0.7272 0.9512 1.6929 1.1906 1.9720 0.7190 0.9487 0.6253 1.4078 0.7717 0.3150 0.9999 0.9057 1.9011 1.8212 0.9990 0.4638 0.7750 0.8674 1.1799 0.9458 1.3628 1.1705 1.0031 0.3150 0.8807 1.5503 1.1537 1.0000 0.8306 1.0525 0.7036 0.9680 1.3521 1.8649 1.4987 0.7549 2.6134 1.0253 0.5841 0.9940 1.3007 0.9705 0.8755 1.6516 1.3750 0.7566 1.1310 1.1454 0.4505 0.5938 0.9603 1.3387 0.7302 0.4756 0.8107 1.0223 0.7550 0.5772 1.6164 0.8694 2.0722 0.9030 1.6256 1.8794 0.8941 0.9047 1.5301 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* 0.7982 1.2360 0.9496 0.8819 1.2352 0.7889 0.9802 1.0865 1.0522 1.7051 1.1923 0.9301 0.8105 0.9110 1.2854 0.8250 2.0643 1.1755 0.5319 1.3106 0.7863 0.8537 0.6936 1.0868 0.6948 0.7866 0.8914 0.7670 1.2815 1.0822 1.0648 0.7646 1.3649 1.3391 0.4010 0.9329 1.8519 1.3312 0.5436 0.7946 1.4692 0.9206 1.2761 0.9010 1.0446 0.6920 1.3080 0.9271 1.5046 0.7715 0.7004 1.1840 1.2192 1.0981 0.7762 0.7577 0.6951 0.9559 1.0198 0.9691 1.1391 0.9670 0.6674 0.7290 1.3177 0.9479 1.0664 1.1669 1.0210 0.6006 0.9468 1.3939 1.3336 1.3470 1.0320 2.0557 0.7679 0.9528 0.6847 1.3592 0.8389 0.8095 1.1096 0.8538 0.8140 1.4443 0.9176 0.6256 0.4418 1.5964 1.2596 0.8273 0.6301 0.9206 1.0801 0.7837 1.2375 1.5700 1.0844 2.4471 1.1340 1.4115 2.0447 1.7852 1.2527 1.7924 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* 0.2561 1.3131 1.0297 0.5432 1.2502 0.7043 1.2834 1.2675 1.0513 3.4351 0.5157 1.0284 0.6790 0.8503 1.4419 0.6529 2.1555 1.5648 0.5524 1.8033 0.7750 0.4061 1.0683 1.0309 0.8119 1.5043 0.8229 1.5429 1.5918 1.3337 1.5080 0.2561 1.9208 1.3803 0.5134 1.0587 0.8227 0.9746 0.7357 0.9401 2.5398 1.0035 1.5558 0.6798 0.3598 0.2561 1.2319 1.2153 1.8342 1.0618 0.4740 0.2561 1.4036 0.7586 0.2561 1.1130 0.6133 0.5344 0.6804 0.9934 0.9335 0.8064 0.2561 0.8480 1.3168 0.2561 1.0000 0.7933 1.6199 0.7577 0.8767 0.4720 2.2873 0.9001 0.7304 2.5656 0.8418 1.0867 1.3119 1.6388 0.9090 0.6431 1.4858 0.8818 0.7056 1.7074 0.7187 0.2561 0.2561 1.5352 0.8225 0.4729 0.2561 0.9686 0.9284 0.3587 0.7396 1.9340 0.2561 2.1659 0.2561 0.9480 2.1635 1.9790 1.7608 2.2497 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* 1.1279 1.3536 1.0586 1.0544 1.1203 0.6205 1.3477 0.9063 0.9273 2.0738 1.7386 1.4268 0.6238 0.7807 1.1652 0.7551 1.5622 1.3037 0.5517 1.5519 1.0902 0.9208 0.9644 1.0936 0.8096 0.8671 0.8625 1.5109 0.8311 1.5741 1.7231 0.6960 1.4624 1.7153 0.7182 0.8788 0.8749 1.4773 0.8662 0.7151 2.3094 0.8414 1.0752 0.7780 0.8288 0.4774 0.9987 1.4009 1.2782 0.9982 0.8721 1.6646 1.7126 1.0253 0.6155 0.7245 1.0504 0.5540 0.9426 0.6280 1.0737 0.8120 0.5547 0.8735 1.6945 1.2466 0.9918 1.0199 1.4403 0.6321 1.2658 1.0013 1.9884 0.7935 0.7440 2.2422 0.8527 1.0374 0.8271 1.8071 0.9922 0.9492 1.3358 0.8682 0.6695 1.4206 0.8343 0.4534 0.5447 1.1656 1.2530 0.6779 0.4392 0.6434 0.7889 0.7136 0.8560 1.7948 1.1319 2.2882 1.1948 1.3954 2.1302 1.9606 1.7662 2.8043 glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* 0.9452 1.0920 0.3930 0.3148 1.2100 0.5348 0.6769 1.5198 0.9094 1.3749 0.4552 1.3924 1.1316 0.6604 0.8358 0.4340 1.7475 1.2405 0.6593 1.1915 0.6386 0.9985 1.0115 1.0410 1.1765 1.0350 1.0876 0.8704 0.9295 1.5514 1.1969 1.0072 2.3132 1.6820 0.4795 0.7495 1.2670 1.1887 0.6888 1.0857 1.1334 0.5122 1.2186 0.3623 0.7293 0.5380 0.7052 1.3847 1.2457 1.0796 0.5585 0.7446 2.2748 0.9461 1.5209 0.9060 1.0216 1.2853 1.5309 0.7691 0.6779 0.7411 0.3128 0.8235 1.7119 1.0164 1.7851 1.2997 1.4402 0.6015 1.6786 0.9346 1.0484 1.0336 1.0015 1.6618 0.9363 1.4807 0.8016 2.9457 0.4303 1.0162 1.1462 0.9392 0.8047 1.5149 0.5522 0.5842 0.6843 2.0276 1.7956 0.6272 0.6197 0.4936 0.8743 0.5220 0.1661 0.6737 0.1891 0.5775 1.5172 1.0439 0.9285 1.5587 1.2850 0.9619 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* 0.9074 1.3490 0.8610 0.8630 1.0288 0.6886 0.9729 0.8183 1.0612 2.0746 1.3435 1.1007 0.7065 1.1027 1.1968 0.7142 2.1960 1.1425 0.5551 1.5168 0.9402 0.9028 0.6988 0.9364 0.7562 0.8907 0.9954 1.1993 0.3603 1.1643 1.2017 0.6562 1.9189 1.3858 0.5112 0.8387 1.5841 1.2487 0.6432 0.7635 2.2698 0.7041 1.1814 0.9269 0.7574 0.4453 0.9587 1.1746 1.8341 0.8051 0.7534 0.9973 1.4934 1.3239 0.8910 0.8283 0.9962 0.7126 1.1674 0.5845 1.2549 0.8171 0.5765 0.7666 1.4930 1.1868 1.0027 1.2731 1.5043 0.6081 1.0840 1.2868 1.5733 0.9768 1.0456 2.4353 0.6009 1.1959 0.8588 1.6893 1.0260 0.7907 1.0483 0.7674 0.8535 1.7584 0.8071 0.5541 0.4430 1.5330 1.2293 0.7045 0.5411 0.7025 0.8942 0.7674 1.2499 1.9391 1.3385 3.1284 1.0774 1.4286 2.5216 2.5581 1.8080 2.7480 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.8969 1.2864 1.0007 0.8233 1.2223 0.5600 1.1537 1.0706 0.8155 2.1337 1.2648 1.0154 0.9998 1.1531 1.3075 0.7299 1.3083 0.9290 0.7041 0.8312 0.9889 0.8015 0.7940 1.1970 0.6188 0.9008 0.9125 0.8744 1.0809 1.2345 1.1228 0.8305 1.4267 1.3534 0.8824 0.9021 1.0165 1.2469 0.6756 0.7340 1.3175 0.8184 1.1160 1.1071 1.0881 0.6143 0.8740 1.4202 1.0299 0.8852 1.0791 1.1349 1.0037 0.7526 0.7581 0.5790 0.8024 0.8086 0.8681 0.9653 0.7757 0.9544 0.6380 0.8737 1.3344 1.1659 0.6278 1.0384 0.9287 0.7203 0.9864 1.1365 1.7871 1.5732 0.8761 1.9356 1.0158 1.0087 1.0002 1.2771 0.7053 0.8035 1.1842 0.8735 0.8337 1.1968 0.8698 0.6524 0.5146 1.1961 1.0313 1.1917 0.6511 0.9857 1.2406 0.6488 0.8764 1.5862 1.0423 1.6230 0.8695 1.2695 1.5388 1.4582 1.3259 1.7392 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 0.7192 1.4397 1.0955 0.8780 1.0632 0.8240 1.0549 0.8447 1.0581 1.7774 1.2455 0.9089 0.8997 1.1921 1.5391 0.6701 1.5462 1.1740 0.6069 1.0259 0.7153 0.9208 0.7426 1.1732 0.8744 0.7027 1.0740 0.8428 1.1260 1.1048 1.1936 0.8064 1.4837 1.5042 0.5274 1.2122 1.3440 1.3518 0.6994 0.6848 1.2002 1.0732 0.9946 1.2712 1.1396 0.7471 1.1508 0.8729 1.2733 0.7359 0.7273 1.1975 1.3642 0.9231 0.8055 0.6221 0.8007 0.8630 0.8554 1.0567 0.8386 0.9547 0.6911 0.7698 1.4934 1.0206 1.0390 1.1756 0.9720 0.5321 1.0371 1.3772 1.8556 0.9025 0.8596 2.0080 0.7963 0.8110 0.6241 1.5016 0.8615 0.7682 1.3999 0.9254 0.6442 1.4421 0.8570 0.8039 0.4909 1.5753 1.2630 0.7449 0.5082 1.0054 0.9199 0.6647 1.2681 1.4715 0.9564 1.6961 1.0142 1.1643 1.6734 1.7211 0.9718 1.5657 glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)* 0.5619 1.4064 1.0058 1.0427 0.8466 0.6044 1.0627 0.8123 1.1531 1.8757 0.2189 1.1740 0.4923 0.9630 1.5957 0.6545 2.3820 0.9184 0.3185 1.9297 0.7180 0.3589 0.5813 1.3756 0.8081 0.8154 1.2879 1.3550 0.9073 1.0498 1.2280 0.2189 2.4147 1.4526 0.4123 0.7396 1.7054 1.4979 0.6253 0.7661 2.1518 0.7151 1.7654 0.7532 0.3729 0.2189 0.9443 1.1192 1.7921 1.0086 1.2127 0.2189 1.6658 1.4305 0.5112 0.5341 1.3102 0.6045 0.9942 0.6731 1.2641 0.6445 0.2189 0.8382 1.6418 1.3721 0.8729 1.0474 1.2473 0.5987 0.8965 1.2269 1.9194 0.9629 0.6394 2.5639 0.5528 0.8726 0.9589 1.9902 1.2464 0.5530 1.8656 0.5858 0.8993 1.7621 0.6800 0.2189 0.3518 1.5839 1.1388 0.7672 0.2189 0.5601 0.7673 0.8183 0.9818 2.3655 1.3850 2.7616 0.5347 1.2980 3.5045 2.0525 1.8261 2.9567 glycoursodeoxycholate 2.0597 1.0000 1.1700 1.2731 2.8430 0.7955 0.7974 0.8667 8.0892 15.0197 1.0377 0.7569 0.3219 0.9338 2.4707 1.8032 8.4442 0.9262 1.2083 0.3262 0.4244 3.2550 0.1793 1.1943 1.5862 0.5385 2.4226 2.7355 0.1669 2.2332 1.1113 1.2167 1.9250 0.7976 1.2588 5.7315 3.2556 0.5392 1.2799 1.0525 0.7568 0.8051 0.8309 1.3735 24.1620 0.6911 1.6719 3.8823 1.6392 0.3251 0.3266 16.4428 0.6263 0.4000 0.6993 0.7124 0.8428 2.0954 0.3721 0.7597 2.0825 0.1570 0.6989 1.7510 1.1145 0.2460 2.4327 12.3179 1.0789 0.8656 1.2030 0.5013 0.4684 0.2585 0.8840 2.8289 17.2201 0.3044 1.6243 3.4602 1.5500 1.4045 0.2884 0.3630 0.6397 0.5336 0.3387 3.1402 0.5667 6.2969 1.3266 0.2344 1.9070 1.5947 0.8912 0.1557 0.7046 0.4392 0.1557 0.2046 0.2496 0.3870 0.1736 0.6514 2.2642 2.5358 glycoursodeoxycholic acid sulfate (1) 1.1113 0.2789 0.5524 0.2789 2.9400 0.8765 0.2789 0.2789 1.9370 3.7501 0.2789 1.1586 0.2789 1.0402 0.2789 1.3331 6.6961 0.2789 1.3197 0.2789 0.2789 2.8423 0.2789 0.2789 1.5995 0.2789 0.8904 0.7865 0.2789 0.2789 0.2789 0.9598 0.2789 0.2789 0.2789 15.6583 0.2789 0.2789 0.2789 0.7438 0.2789 0.2789 0.3459 1.2108 19.2534 0.2789 0.3935 3.3624 2.9403 0.2789 1.7152 9.8054 0.2789 0.2789 0.2894 0.2789 0.4992 6.1977 0.2789 0.2789 0.6880 0.2789 1.3625 0.2789 0.2789 0.2789 0.5482 5.2649 0.2789 0.2789 0.9365 0.2789 0.5695 0.2789 0.2789 1.1195 13.5665 0.4070 0.2789 0.5574 0.2789 0.9194 0.2789 0.2789 0.3877 0.2789 0.5969 4.3013 0.8939 0.7420 0.2789 0.2789 1.7796 1.1906 0.7785 0.2789 0.2789 0.2789 0.2789 0.2789 0.2789 0.9542 0.2789 0.2789 0.9330 0.3801 glycyrrhetinate 1.0949 4.4094 0.5305 0.4668 0.1240 0.1240 0.1240 0.3819 1.5975 0.1240 0.1240 0.1240 1.6849 0.4832 0.1240 0.1240 0.1240 0.1240 0.1271 0.1240 0.3787 1.2605 3.0698 0.1240 0.1240 0.1240 0.3230 0.1240 0.1240 0.2154 0.4498 0.3229 0.1240 0.5152 0.1240 6.0278 0.1240 1.4176 3.2345 0.1240 0.1240 0.1240 0.1240 0.4942 0.3656 0.1240 0.1240 0.1240 0.2015 0.1240 1.0591 0.1240 1.3051 0.1240 0.5742 0.1240 9.4459 0.1240 0.1240 1.7579 5.8734 3.8876 0.4246 4.5679 1.0437 0.1240 0.6357 0.1240 0.1240 0.3928 2.4640 8.4420 0.5985 0.1240 10.4281 0.1240 0.1240 0.1240 0.1999 0.9563 0.1240 0.1240 1.9501 0.1240 0.3201 1.3418 9.9477 0.1240 0.2672 0.6017 0.1240 6.5585 0.1240 0.6136 9.5024 4.6651 0.3979 0.1240 5.5101 0.1240 0.1240 1.9599 0.7869 7.3869 0.1240 0.2874 guaiacol sulfate 0.8428 2.3403 2.2027 0.5437 0.1884 0.2240 0.8578 0.5048 0.8868 0.9592 3.1554 1.2141 1.4346 4.1946 2.1524 1.1725 2.0801 1.4023 1.1097 1.0598 0.5694 1.0863 1.2171 0.8035 0.3096 1.3485 0.7569 1.6073 1.4204 0.8764 1.0779 0.8056 0.7451 3.2081 1.1747 5.0000 1.7529 2.4033 1.6613 0.7639 0.2308 0.6612 1.0382 0.4762 0.5322 2.9354 0.4336 0.8329 0.8281 1.5827 1.0071 0.1715 1.9442 1.4032 0.9603 0.8277 0.8757 1.4145 2.2980 1.3612 1.8595 1.3030 0.2181 0.3640 1.3917 1.5085 0.8811 1.1968 1.7412 1.2383 0.6693 0.5789 2.3222 0.4306 1.1335 0.8200 0.4190 1.9265 1.2150 0.2762 1.4551 0.7160 0.9929 0.8227 0.5961 1.2584 0.5701 0.6434 0.4195 1.1053 1.4981 1.1423 0.0608 1.1241 0.5036 0.3922 0.4202 0.9485 0.5695 1.1334 0.8752 0.6068 0.2695 0.2509 1.4213 2.8954 guanidinoacetate 1.8059 1.1915 0.9425 0.8005 1.8777 0.6060 0.5898 1.4926 0.8734 1.0954 0.9621 0.8614 0.5463 0.3618 0.9147 0.7529 1.1116 1.5015 0.7521 1.4686 0.6284 1.2435 0.7855 0.5978 0.7418 1.4907 1.8625 1.1690 1.5603 0.5489 0.8532 1.5429 0.5736 1.5467 0.5470 1.3958 0.9935 1.4755 0.7838 0.9191 1.0822 0.8030 1.1424 1.0233 0.9817 1.3594 1.0065 0.9072 0.8514 0.6827 0.8180 0.4703 0.5984 0.6812 0.6160 0.6875 0.7856 0.6026 1.7056 1.1383 1.1519 1.1521 1.2152 1.1089 0.6712 0.8975 1.1568 0.3315 0.9005 0.5763 1.0633 0.9207 1.3482 0.6805 1.7308 0.8612 0.5028 1.0896 1.1230 1.7931 1.4145 1.1310 1.1631 0.6388 0.9211 0.7668 1.2184 0.8546 0.6319 0.4028 1.1965 1.0757 0.6942 1.2332 1.2890 1.1067 1.1578 1.2818 1.2126 1.4194 0.9624 2.3257 1.7776 1.0171 1.3302 1.6791 guanidinosuccinate 0.3879 10.5419 0.3087 1.4491 0.3087 0.3087 1.3518 0.7773 0.6028 0.3087 2.7017 0.5525 1.6978 0.3087 1.8687 0.4857 3.0550 1.2944 2.5067 0.9031 0.3087 0.3087 0.3087 0.5251 0.3087 0.9677 0.3087 1.4552 0.5994 0.3087 1.0116 1.4077 0.7551 3.4451 0.3087 0.3087 0.3087 0.8903 1.0128 0.4250 0.6626 1.5837 0.5478 0.3087 0.3087 0.3087 0.6615 1.9233 0.6871 2.4387 0.6083 0.3087 0.9527 0.3087 0.5605 0.3087 0.4258 0.9884 1.0686 0.7822 0.3087 0.3087 0.5376 0.4375 0.3087 0.3087 0.7317 2.0355 2.9786 1.7241 1.2000 0.3087 1.7393 0.3087 0.8152 1.7936 0.3087 1.0597 1.3280 0.3087 0.5800 0.3087 0.7670 1.3912 0.3087 1.4053 0.6014 0.3087 0.5555 4.4989 1.8976 0.3087 0.3087 0.3087 0.3087 0.3087 0.3087 1.1770 0.8477 0.5675 0.3087 0.3087 0.4653 1.1659 2.6110 1.5394 guanine 0.4962 0.4962 0.4962 0.5339 0.4962 0.4962 0.4962 1.1739 0.7880 0.8782 0.4962 0.4962 2.3288 9.8548 0.7018 3.6066 0.4962 0.4962 0.4962 0.4962 1.7210 1.0854 0.4962 1.2951 1.0279 1.1610 0.4962 0.4962 0.7926 0.4962 0.4962 0.4962 0.6224 0.7385 0.4962 2.3575 0.4962 1.6454 0.4962 0.4962 0.4962 0.4962 0.8036 0.9522 2.4962 0.4962 0.8910 0.4962 1.6722 0.4962 0.9721 0.4962 0.7657 1.4042 0.4962 1.2201 1.0838 0.4962 0.8877 0.8831 0.7572 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 0.4962 110.5323 0.4962 0.4962 0.4962 0.5749 0.4962 0.4962 gulonate* 1.2295 2.8734 1.3501 0.8734 1.3302 0.7644 0.9441 1.0104 0.8778 1.3316 1.0507 1.0030 2.1211 1.6902 1.5236 2.0708 1.4725 0.8739 1.1808 0.9083 0.7196 0.9399 1.1393 0.9057 0.7260 1.9871 0.9401 0.9077 1.0274 0.8966 0.9341 0.9895 1.3150 3.2641 0.8733 1.1914 0.8536 1.1434 1.5363 0.7097 0.4884 1.3741 1.0214 1.0546 2.2317 1.4836 0.7976 1.4076 0.7814 1.4579 0.6857 2.5402 0.8870 1.1458 1.0435 0.8575 0.5852 1.1630 1.0342 1.2313 0.7948 1.0545 0.8587 0.6098 0.9657 1.1524 1.1714 1.6505 1.6958 1.3208 0.9976 1.1811 1.6182 1.0024 0.9344 1.0431 1.4684 1.5044 0.9515 0.8919 0.8670 1.0293 0.6462 1.3567 0.6402 0.6088 0.8875 0.8685 0.9123 2.7262 1.6883 1.5077 0.8054 0.7649 0.8602 0.7723 0.9385 0.6403 0.8536 0.5121 0.7309 0.5323 0.7582 0.5517 1.3112 0.9248 heme 2.4343 0.7426 0.6320 0.6777 1.6056 5.5862 0.8125 1.9834 0.8246 4.2121 1.2855 17.3850 0.5670 1.0851 0.7785 0.2453 3.2794 0.9673 1.0000 2.3147 1.3430 1.3064 0.7463 0.8052 0.8758 0.6628 1.2919 0.4967 0.2453 0.2453 0.2453 0.7186 1.0866 1.5022 2.6482 1.8286 0.7200 0.9942 2.3112 0.7360 0.2453 0.6641 0.7944 2.3525 0.2453 0.5103 2.5071 1.2037 0.8697 0.2453 0.8469 0.7207 1.3509 1.1191 0.2453 1.0258 1.3359 0.5754 0.4785 0.2453 0.2453 1.3511 0.5578 0.6666 0.2453 0.5902 4.5771 0.8473 1.9672 0.6977 3.3250 0.9654 1.9867 1.9677 1.4239 0.5017 1.2088 0.6194 0.2453 0.9191 0.7465 1.3833 0.2453 0.2453 1.3268 0.9653 0.2453 2.1584 0.2453 0.5793 3.6121 0.2453 1.5287 0.5837 2.4766 0.2453 2.1696 2.5003 0.9373 0.8903 13.6504 0.8543 3.2643 1.5326 0.7324 0.6048 heneicosapentaenoate (21:5n3) 0.1658 0.5464 0.1671 0.3003 5.3726 1.4044 1.3287 0.1124 1.2851 0.1124 0.9273 0.3839 0.1124 0.1124 2.1122 0.1674 1.3019 0.1124 0.2958 2.1763 0.1124 0.5797 0.1124 0.1124 1.3809 1.8667 0.3148 2.4536 0.3141 0.2207 5.7807 2.3059 1.1232 0.1149 0.3767 1.1100 0.2175 0.1124 1.4787 0.1985 1.9370 0.5824 2.0059 0.6986 1.2660 0.4048 0.4163 1.4154 0.7767 1.7048 1.6867 10.9894 0.7367 2.1449 0.1124 0.7895 0.1124 0.7886 0.2271 0.1124 1.1414 1.4419 1.6899 1.4039 0.4891 1.6092 0.8391 0.1124 0.2084 0.4594 0.1368 4.4522 0.2752 0.1124 0.5348 2.0311 1.6036 1.8679 2.1771 1.6411 0.1124 0.6194 1.6452 1.8732 0.4559 0.1124 0.4189 1.8108 3.2521 1.0680 1.8419 1.0673 0.2005 0.7772 1.0000 1.4646 0.6376 0.5904 0.3423 0.7028 0.3208 1.4282 1.7048 0.6743 1.0817 0.3218 heptanoate (7:0) 1.1476 1.3519 0.9212 1.2673 1.6624 0.7952 1.1799 0.9757 1.0852 0.5756 1.1811 0.9896 2.3824 0.9618 0.9136 0.8753 0.4032 2.9325 0.9942 2.0833 1.2843 0.8197 1.0567 3.1274 0.4032 0.9448 1.0036 1.3241 0.7123 0.9412 1.4823 0.7477 0.6791 1.7597 0.6710 0.8853 1.0043 1.2491 0.8855 0.9301 1.8301 0.9666 1.1496 0.4032 1.1620 0.8666 1.0969 0.9711 1.3142 1.0000 1.1128 0.8677 0.8177 1.4058 1.4755 0.5530 1.3714 2.1487 0.7318 2.5990 1.1142 0.7961 1.2903 1.3014 5.1962 5.0216 0.4032 1.0644 0.9265 1.0971 1.0073 1.3871 0.9733 0.8547 0.6710 0.7709 0.9916 0.9652 0.9518 0.8537 1.1000 1.3486 1.2704 0.8116 0.9130 1.0265 0.7872 0.8900 1.0257 0.9479 0.9783 1.7294 0.4032 0.8242 0.9545 0.7510 1.8301 0.9934 1.4139 1.1204 2.0681 0.4032 1.5673 0.8460 0.9642 0.8771 heptenedioate (C7:1-DC)* 3.8228 5.0019 2.6284 0.4300 0.6116 0.9295 0.4241 0.3753 0.9001 0.7708 2.1346 0.8025 2.3954 1.2433 1.2073 1.1563 2.5267 0.7618 1.3475 1.3215 0.6997 0.8137 0.9155 1.3400 1.2056 2.1247 0.5676 2.5490 3.5776 0.8147 1.4434 1.1385 1.6262 1.2857 1.6683 0.9477 0.6018 1.3640 1.7943 1.9568 0.3681 0.8354 0.9996 1.3308 0.8560 0.8737 0.8481 1.2554 1.3667 0.9434 1.1049 0.5255 0.9904 0.7514 1.0143 0.8989 0.8724 1.3603 1.0761 1.1296 1.0316 1.0681 0.8717 0.6237 0.4460 0.8976 0.9161 1.5300 1.5725 0.8624 0.7628 0.8809 2.2864 1.7061 0.9593 1.0358 0.1697 1.3624 1.5420 0.9920 0.8029 0.9434 1.2871 1.2756 0.7424 1.4679 0.9666 0.7068 1.1883 1.0252 1.4886 0.6361 1.5543 1.0004 0.4876 0.7461 0.6559 1.0719 0.5158 0.2986 0.9877 0.5116 1.4640 1.3726 2.6839 0.9220 hexadecadienoate (16:2n6) 0.7044 0.7302 0.5611 0.1723 3.0408 0.8545 1.2380 0.0883 1.1360 0.1578 0.9311 1.0120 0.8172 0.7616 2.1845 1.2178 1.4010 0.4780 0.5412 1.2838 0.4715 0.6793 1.5596 0.8095 0.9239 1.6961 0.5135 0.8925 1.5183 1.4323 1.8142 1.0020 0.6019 0.4116 0.4592 0.7778 1.1029 0.4730 1.0057 0.8232 0.9402 0.5331 1.1905 1.2777 1.2519 0.7440 0.8828 1.2821 1.1333 1.0252 1.0784 4.0282 0.5741 0.9852 0.3142 0.6199 1.2646 0.5870 0.6952 1.2301 0.7600 1.1499 1.5726 1.1537 0.6010 1.1372 0.9481 0.8483 0.9980 1.0285 0.8998 2.9549 1.3684 0.8397 1.6807 1.1270 0.8971 1.5257 1.6239 1.7651 0.3539 1.7980 1.4777 1.4716 0.7191 0.6155 1.1567 1.2825 2.2847 1.7014 1.3613 1.2430 1.2810 0.9141 0.6206 1.6440 1.7490 1.1849 0.2517 1.4734 0.9360 0.8668 0.9607 0.8063 1.0184 0.6153 hexadecanedioate (C16-DC) 1.8141 1.1832 1.4950 0.5229 1.3228 1.0084 1.1399 0.4293 0.5844 0.7951 1.8340 0.9691 0.8320 0.8955 2.9230 3.2389 1.1890 1.0187 0.5836 0.6633 1.3040 0.5872 0.5646 1.7941 0.6266 0.8155 0.7943 1.0825 1.3855 1.1633 1.2637 0.9613 0.5458 1.0942 0.9858 0.6607 0.6963 1.2098 1.4411 0.7308 1.4905 0.8752 0.9143 2.0777 2.4456 0.9724 1.0004 0.8742 1.1578 0.5652 1.2157 3.0969 0.6819 0.7394 0.3351 1.1112 0.3957 2.8654 0.7303 0.9165 1.4858 0.6453 3.4880 1.1308 0.4571 0.8276 0.5036 0.5510 0.6905 0.9996 1.0203 0.9016 2.6810 1.2413 1.1793 1.2329 1.4207 3.7513 1.0632 1.0745 1.1304 4.4591 1.3664 0.9190 0.5163 0.7183 1.5418 2.3447 0.5088 0.4478 1.8145 0.9914 0.5908 0.9148 0.6504 1.4330 1.5170 0.9953 0.3608 0.6511 3.3512 1.2421 0.8794 1.2415 1.3996 0.5066 hexadecasphingosine (d16:1)* 1.3679 1.1029 0.3608 0.8950 0.8057 0.9093 0.9130 1.0401 0.8065 0.8588 0.3608 0.6730 1.1937 1.8034 0.5498 1.7051 0.7236 0.8238 0.6714 1.3017 1.1514 1.3893 0.8738 1.0715 1.0573 1.0499 0.8681 0.4512 1.2463 0.7472 0.5567 1.6613 1.2448 0.9302 0.9156 1.3860 1.0939 0.9981 0.5899 1.1109 0.4156 1.5532 1.7616 0.3608 0.6772 1.1484 1.1564 0.5020 0.9463 0.7145 0.8128 0.5008 1.0815 1.9637 1.2746 0.8627 1.0097 1.1240 1.2336 1.1490 1.0859 0.5877 0.8008 1.0019 1.4787 0.7617 0.7967 1.7101 1.4936 0.6977 0.6212 1.1074 0.9437 1.0346 1.3245 1.2046 0.6282 0.5437 0.6879 0.9721 1.5449 0.5985 0.9634 1.4737 1.4917 0.7003 2.3741 0.7977 2.2127 1.3025 1.0756 0.8493 1.5020 1.0060 1.8408 0.7908 0.7816 0.9783 0.9147 1.0563 0.9931 0.7539 1.2300 1.9132 0.8838 1.4464 hexadecenedioate (C16:1-DC)* 1.4809 1.0233 1.2322 0.8873 1.2360 1.5823 1.0680 0.7208 0.7368 0.8706 2.1894 0.7618 0.9482 1.2702 2.2958 3.2329 1.3641 0.9847 0.8257 0.8141 1.3795 1.1238 0.6485 1.8221 0.6412 0.9427 0.6671 1.0998 1.1641 1.7134 1.5873 1.0206 0.9053 1.3855 0.9026 0.6876 1.0909 1.4198 1.3986 0.4993 1.2208 0.9456 0.8765 1.4522 2.9930 0.7434 1.1433 0.7305 0.6806 0.7043 1.3754 3.7332 0.7397 1.1258 0.4313 1.1370 0.4053 3.6519 0.8469 1.0190 1.5284 0.6059 2.4546 1.0447 0.7793 0.7457 0.8154 1.5566 0.6139 0.9809 1.2535 0.5849 1.8464 0.6992 0.8390 0.8490 1.9563 3.9386 0.8152 0.8829 1.0153 4.2984 1.3042 0.9486 0.6729 0.6878 1.5241 2.0786 0.5699 0.7686 1.6411 0.8742 0.6525 0.9222 0.7821 1.0786 1.0642 0.9221 0.3737 0.6570 3.2831 1.8824 0.7172 1.0767 1.2358 0.5911 hexanoylcarnitine (C6) 0.8130 0.2599 0.4630 0.1287 0.4831 0.9714 0.9242 0.2511 0.9098 0.1919 0.3059 1.0412 1.2316 0.6506 0.7073 1.0343 1.1027 0.4368 0.7681 0.6262 1.1439 0.3440 0.6983 0.5082 0.7491 0.2437 0.5495 0.4493 0.9842 1.9253 0.5965 0.7302 1.1054 1.4368 0.6681 0.4760 1.1742 1.2302 0.7213 0.4912 1.4845 0.4904 0.8065 1.6707 1.7361 0.6249 0.2483 0.9186 1.6111 0.8501 1.0688 1.0060 1.1008 1.2380 0.2775 0.8425 1.0356 1.4946 0.7015 1.2638 1.1925 1.0342 1.4441 1.6486 0.5748 0.7713 1.6225 1.6609 1.2246 1.6199 1.4386 0.9304 1.8177 0.8961 1.4530 0.7206 0.5340 1.4776 0.9700 1.1441 0.9814 4.1269 1.4059 1.7184 0.6604 1.2472 1.2027 1.6661 3.7277 0.7760 2.6848 1.5071 1.3295 0.9958 1.8192 1.5925 3.5635 1.2353 0.2961 0.7241 2.4238 0.8165 1.1679 1.1771 1.0042 1.0304 hexanoylglutamine 1.3142 0.3511 1.1370 0.4510 2.6309 0.9930 1.4653 0.5002 0.7160 0.7311 1.3728 2.1225 1.2121 1.7188 1.1874 5.0305 0.9428 0.7134 0.6034 0.5958 1.1499 0.2089 1.8164 0.3279 0.7717 0.6884 0.2489 0.3428 1.8434 1.1756 1.6754 0.4629 0.9161 1.6890 0.9553 1.3340 0.5756 0.5610 1.3524 0.7762 1.0204 0.9908 0.3469 2.1577 2.7550 0.9917 0.2664 1.6026 0.5778 0.3632 0.7196 1.4253 0.5586 0.4450 0.5341 0.4631 0.9761 1.5599 0.5038 0.6442 1.4509 0.5148 3.1620 1.7561 0.7050 4.6530 0.4497 1.4424 0.7638 1.9402 1.4076 0.5059 3.4425 3.2182 1.8319 0.7566 0.9330 3.9794 1.5533 1.6829 1.1653 2.9849 0.6193 1.0070 0.6126 0.9230 2.6443 2.3212 2.1818 2.2102 4.9938 1.2406 2.1476 1.2086 0.5346 1.2420 2.2172 0.6343 0.1775 0.4475 1.6628 0.9019 0.8331 2.5298 1.0269 0.7188 hexanoylglycine 1.2297 0.9070 0.6956 0.4073 1.2949 1.0157 0.4073 0.7946 0.5080 1.0000 0.4073 0.4073 0.6488 0.6504 1.6068 1.7617 0.7532 0.6758 0.4073 0.9596 0.4073 0.4073 0.8506 0.4073 0.4073 0.7757 0.4073 0.9042 1.6084 1.2937 1.1906 0.9113 0.5260 1.5090 0.4778 0.4073 0.4073 0.4385 0.8648 0.4073 3.3337 0.9248 0.4073 1.4776 0.9724 0.4073 0.4073 2.7993 0.7571 0.7102 0.4073 0.4073 0.4073 0.4073 1.3273 0.4073 0.8809 0.8736 0.4699 1.3505 0.9740 0.8228 0.7868 1.5216 1.1720 1.1419 1.4056 0.7164 1.1250 1.5784 0.4073 0.9651 1.6118 1.2235 1.3035 0.8122 0.4073 1.0472 1.2866 0.4073 1.0885 4.3084 0.8075 1.1303 0.4073 1.5546 1.4195 0.7920 1.2801 0.9344 2.4527 0.6164 0.4073 0.7584 0.9875 1.1226 1.8660 1.2320 0.4073 0.9652 2.0827 1.0305 0.4073 3.2979 0.4073 0.4073 hippurate 0.8336 0.8854 2.3106 0.9904 0.3720 0.2742 0.8555 0.5508 2.4589 0.7770 1.8211 1.3568 0.9866 1.5790 0.4866 0.9068 1.2100 1.9218 1.0426 2.7782 0.4986 1.4272 1.5356 0.9873 0.1360 0.8486 1.2570 1.3384 1.2144 0.7324 1.8986 0.3447 1.9348 4.8497 1.2461 1.8156 1.2055 0.6843 0.7964 0.7427 0.5514 1.6273 0.7193 0.7782 0.2360 0.8600 1.0304 0.4052 0.6110 1.1863 1.0769 0.2604 2.4295 1.1130 1.1462 1.8674 1.2982 0.9699 0.9536 1.2642 2.6771 0.8431 0.4689 0.4134 0.7679 1.6838 4.2867 0.2109 2.1399 1.3668 0.3469 0.3286 4.5931 2.0353 1.3562 0.7557 0.2572 3.8487 0.8639 0.7051 1.4278 0.8328 0.9768 0.7795 2.1430 3.0903 0.4112 0.5040 0.3290 1.4601 1.0373 1.4494 0.3600 0.4104 0.6437 1.3709 0.9062 1.1134 1.3975 3.9391 0.8241 1.0096 2.9696 0.5116 4.0485 2.6866 histidine 1.1250 0.9036 1.1465 0.6210 0.8714 0.7365 1.2040 1.1655 1.2909 0.8622 0.7263 0.9466 0.7298 0.8009 1.2955 1.2091 1.0508 1.0583 1.4232 0.9220 0.7750 0.8358 1.1846 0.7474 1.0053 0.9779 1.3456 1.2939 1.2785 1.0704 1.0724 1.3324 0.7574 0.8129 1.2287 0.7732 1.2365 1.1272 1.0668 0.9646 1.1756 1.1470 0.9050 1.1158 1.0247 0.9501 0.7038 0.9349 0.8153 0.9658 0.9563 0.8116 0.7279 0.8421 1.0697 1.0981 0.7156 1.2394 0.7947 1.0741 1.2250 0.8486 0.8121 0.9685 1.0069 1.3811 0.7836 0.6957 1.2085 0.8561 0.9051 1.6171 0.8766 0.7266 1.1901 0.7836 0.8803 1.1516 1.0805 0.8323 0.7133 1.4023 1.3207 1.2112 1.1134 0.9632 0.7875 0.8639 0.9947 0.9577 0.8266 1.2729 0.9269 1.0338 1.2576 0.8741 1.1446 1.2618 1.1023 1.3486 0.8313 1.1654 1.2524 0.7182 1.0923 1.3199 histidine betaine (hercynine)* 1.1955 0.8963 1.1123 1.0433 0.9361 1.0000 1.2281 1.2382 2.5795 0.3467 0.7622 0.4564 0.2116 0.2116 0.5933 0.4764 0.5436 0.8599 1.2040 3.6776 0.2116 0.2850 1.6691 0.2116 0.9407 4.7804 1.9977 1.1406 0.2116 0.8853 2.1632 1.0872 0.8195 0.4864 1.1539 0.6547 1.4153 0.9243 1.2403 0.5907 1.3097 1.0499 0.5215 0.2116 0.6230 0.4999 0.2643 1.7812 0.2116 1.6921 1.1074 0.2116 1.7872 1.5718 0.5525 1.4885 0.2116 4.1640 0.2116 0.7451 2.2850 0.2116 0.4058 0.4170 0.3715 1.7860 1.0460 0.2116 0.5701 1.1814 0.3879 2.1449 0.2116 0.6154 0.9884 0.2116 2.4611 1.1852 1.0582 0.2635 0.5809 1.2932 0.9071 0.2486 0.3760 0.5578 0.5876 0.9961 1.2866 0.4523 0.2116 1.0539 0.2116 0.2116 0.7158 0.6780 0.4190 2.5989 1.1558 0.3501 1.5592 1.2304 2.0210 0.2116 2.3541 1.7220 homoarginine 1.6048 0.5525 0.8212 0.5949 2.0403 0.7888 0.7229 0.8409 0.8063 0.6080 1.0061 0.9970 1.0230 0.5551 1.0183 0.7815 0.6418 0.7623 1.2235 0.6578 0.6123 0.7618 0.9843 1.1688 0.7981 1.0376 2.0841 1.7946 0.9918 0.8646 0.6736 1.0555 0.8839 0.5810 0.8752 1.3123 1.1998 0.6218 1.1233 1.4283 1.4027 1.0013 1.7450 1.1446 1.1291 1.5493 1.5320 0.5640 1.0106 0.5808 1.2809 0.8559 0.7474 0.7110 0.9592 0.9312 1.3360 1.0846 1.0327 0.8925 0.7317 1.9526 0.6361 1.1657 0.5609 1.0183 0.8096 0.7002 1.0011 0.8341 0.9989 1.9217 0.5178 0.3506 1.7579 1.0819 1.2298 1.2672 1.0601 1.2284 0.9624 0.7586 1.5703 0.9104 1.7778 0.6700 1.9764 0.8760 1.0371 0.3515 0.5778 1.1493 1.3520 1.4089 2.0646 1.1203 1.0187 0.9104 0.8431 1.1057 1.6194 1.5706 1.5834 0.8630 1.3591 0.8835 homocitrulline 1.0387 7.7418 0.6637 0.8987 0.8667 0.6503 1.4174 1.8685 1.0000 1.1109 1.1818 0.6935 1.3664 0.9352 1.1233 0.9651 1.9024 0.6706 1.4394 0.8390 0.7961 1.3066 0.8239 1.7859 1.2410 1.1373 0.8841 1.1191 2.0937 0.8982 0.6503 0.7239 1.1310 2.0487 1.1511 0.7422 0.4453 0.5900 1.8198 0.3840 0.7102 0.7504 0.9642 1.1182 0.8495 1.2987 0.7584 1.1665 0.5874 1.2491 0.8629 1.2313 1.2079 1.0184 2.3905 0.9064 0.5408 2.1371 0.8873 1.0985 1.9476 1.2133 1.0516 0.9784 0.8066 0.6596 0.8276 5.5814 3.2593 1.3920 1.0459 1.2697 2.3162 0.4855 0.5332 1.5713 0.5849 2.8204 0.9931 0.3038 0.5016 0.5482 0.7404 1.4178 0.6774 1.6665 0.9765 0.7655 1.1218 4.5748 1.4335 0.8747 1.3798 4.3235 1.0646 0.4300 0.6724 1.7316 0.5205 0.5710 0.8247 0.3038 0.5300 0.7236 1.0659 1.0326 homostachydrine* 2.3057 10.3763 1.0167 1.3196 0.5284 0.3799 2.6054 0.7896 0.8912 0.8992 2.8853 0.9419 1.2470 1.2556 0.6733 1.0286 7.4825 2.0420 3.4584 0.8881 0.8497 1.3250 0.4865 0.5069 1.4813 0.8609 0.5044 2.2079 0.7425 0.5902 1.1907 0.6642 0.9949 1.3860 0.9179 0.3441 0.5348 3.0013 1.5323 0.6536 0.5563 0.4367 0.4515 0.9120 0.5203 0.7913 1.2836 0.9768 1.0202 1.3217 1.3175 1.7106 1.1361 1.0191 1.3034 0.5619 1.3746 1.0952 0.8060 1.2261 1.2126 1.4784 1.0162 1.3964 0.5844 2.7245 0.8618 2.2420 0.8964 0.9393 0.7953 0.6593 0.5289 1.8976 1.2180 1.7414 1.1994 1.6509 1.4271 1.2829 0.6257 0.4396 1.1335 4.4563 1.1476 1.0462 0.3804 0.3757 0.7025 0.7842 0.6873 1.8872 0.2710 1.6921 0.7143 0.4764 0.3713 0.8391 0.5569 1.7691 0.9190 1.5961 1.0051 0.6598 0.8822 1.0919 homovanillate (HVA) 0.6240 2.0304 0.3917 0.9459 0.6874 1.0573 1.3311 0.3425 0.5848 1.8755 0.9860 0.9925 0.9683 1.6006 1.1858 1.1888 1.0027 1.3118 0.7120 1.3561 0.6648 0.3425 0.3425 1.2376 1.0158 0.3425 1.1954 0.3425 0.3425 1.1631 1.0614 1.0111 0.9670 1.9059 0.8000 0.7325 0.5788 0.7561 1.3337 1.3813 0.5110 2.2365 0.5334 0.5890 0.3425 0.8719 0.7481 1.0292 0.8439 1.0238 0.8834 0.8153 1.1043 0.7472 0.5854 0.8955 0.8755 0.7546 1.2976 1.3226 0.9037 0.3425 1.0601 0.7184 1.0000 1.2733 1.4878 1.1526 3.0129 1.0503 0.8528 1.4270 1.5831 0.3425 0.3425 0.9065 0.5983 0.7009 1.0797 1.7214 0.7978 0.3425 0.3425 1.2664 0.3425 0.9825 1.2928 0.3425 1.0058 1.0497 0.3425 0.3425 0.3425 0.6064 0.8958 0.7296 0.5289 0.3425 0.7382 1.9263 1.2826 0.4525 1.2099 1.3416 1.6490 0.9005 hydantoin-5-propionate 1.5708 2.3143 1.6019 1.2532 0.1724 0.7869 0.5630 1.0454 1.0000 0.9234 1.4990 0.7246 3.9143 0.2578 0.6620 0.8552 1.9870 2.6167 1.2417 0.3691 2.4387 0.6099 1.7483 0.9098 1.3710 1.0216 0.8976 1.9257 1.1197 2.4907 0.4912 0.6617 4.5298 1.4098 1.9008 0.7558 0.8786 1.2501 2.0544 1.2743 0.5161 0.5698 1.4699 0.4760 0.1726 1.6717 2.1265 1.1775 0.5572 3.1361 1.0131 0.1724 1.1829 0.5879 0.8171 2.2907 0.1724 0.9178 1.7624 1.2444 1.6099 0.9286 0.5148 0.5573 0.5373 1.8284 1.2499 1.3162 1.6838 1.0827 0.9567 1.0436 1.6461 1.0675 0.7688 1.0211 0.1724 1.2837 2.5163 0.3905 0.4123 1.6037 0.2114 1.2433 0.8579 0.6491 1.7495 0.1724 0.7582 1.8473 0.8448 0.5508 0.4297 0.7849 0.3934 0.5891 0.7176 0.4583 0.5777 0.1724 0.3624 0.3946 0.3469 0.7770 1.6474 0.9638 hydrochlorothiazide 0.0905 2.6885 0.0905 0.0905 0.0905 0.7076 0.5926 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 1.6366 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 1.7863 1.1548 1.0000 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 1.2046 0.0905 1.5476 1.3223 1.2420 0.0905 0.0905 1.2784 0.0905 0.8498 0.0905 0.0905 0.2268 0.0905 1.8380 1.4210 0.0905 0.0905 0.8479 0.0905 0.0905 0.0905 1.3673 0.0905 0.0905 0.0905 0.8776 0.0905 0.0905 0.0905 0.0905 0.2457 0.0905 0.0905 0.0905 0.0905 0.2196 1.8154 0.8485 0.0905 0.2348 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.1679 0.4170 0.0905 0.0905 0.0905 0.1923 2.4995 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 0.0905 hydroquinone sulfate 1.3381 1.3161 3.7506 1.2722 0.2431 0.8272 0.5370 0.5357 1.4620 2.1517 6.3110 1.3222 1.6822 2.1016 1.1695 0.5088 1.0000 1.8684 1.7825 1.4688 0.3850 0.6195 0.7784 1.6923 2.0601 0.9231 1.5235 0.6356 0.4211 0.3498 0.6086 0.7032 5.1294 3.3388 0.8842 1.4998 0.8739 2.8268 0.9878 0.3260 0.3341 0.4245 1.0310 0.3699 1.0313 0.9496 2.2768 3.9060 1.6129 0.8364 0.4095 0.4806 1.6624 0.4760 1.8583 0.7145 0.3032 1.2149 1.3172 0.4589 0.7490 0.5312 0.6617 2.2714 0.9887 3.5975 1.3214 0.4521 7.9945 1.4129 1.2415 0.8000 2.0838 0.4734 0.2431 0.3171 0.2431 0.5944 5.2301 0.9500 0.7186 0.2431 0.2431 1.3962 0.4681 1.6040 0.6297 1.6797 0.3372 1.3629 0.7685 1.4095 0.9140 1.7279 0.2431 0.2431 0.2431 0.8999 1.2620 1.7948 0.2703 0.2431 2.0792 0.2431 1.2510 0.7298 hydroxy-CMPF* 0.1328 4.3052 1.3916 1.2044 0.7310 2.3093 1.2501 1.7467 1.4663 0.8419 0.4610 0.5394 0.2234 0.3325 1.5118 0.2797 1.5787 1.1908 1.5192 3.6434 0.4463 1.3481 0.1718 0.1143 1.2283 5.3397 2.7207 8.8504 0.2263 0.1149 5.2016 3.4910 1.6551 0.5696 0.7528 0.7749 0.5154 0.3190 3.7026 0.4822 2.5015 1.8237 2.0428 0.3583 0.3352 0.4275 0.5862 4.3931 1.4859 3.0583 1.2714 0.7607 1.6686 2.2698 0.3605 0.8583 0.0804 0.9307 0.5621 0.1635 3.5982 2.5579 0.7898 2.0943 0.8567 3.4968 0.5368 0.1123 0.9963 0.9088 0.1537 1.9041 0.3284 0.4358 0.5073 3.1634 0.2347 2.1200 1.0298 1.5698 0.3508 0.3747 1.3849 1.9736 0.5802 0.8273 0.3725 0.3611 0.2245 0.4762 1.3501 1.4910 0.2247 1.0168 1.2096 1.3832 0.8779 3.3573 2.1434 2.2448 0.7706 0.7804 6.2899 1.0037 4.9987 2.6786 hydroxy-N6,N6,N6-trimethyllysine* 1.2242 0.1918 0.9550 1.0830 0.7873 1.6085 0.9076 1.1770 0.9981 1.6466 1.2260 0.8351 1.7093 0.9340 0.7915 1.4914 1.8195 0.4790 1.6125 0.9195 1.1493 1.0867 0.9865 0.7994 0.7775 0.7865 0.7594 0.9049 1.3588 1.3133 0.8666 1.4316 1.1722 2.1154 0.7238 0.9542 0.5150 1.0631 0.9368 0.7451 0.5262 1.0132 1.0666 1.0019 0.9417 0.6667 0.1918 1.0245 1.1597 1.5811 0.8322 0.5630 1.6023 1.0433 1.1708 1.2255 0.7607 0.9574 1.0460 1.1967 1.0716 1.0195 0.6573 0.7801 1.5449 1.1176 0.9791 1.8478 2.2213 1.3363 1.0555 1.4715 1.5969 0.4509 0.7133 1.2040 0.1918 1.2511 0.7671 0.8327 1.3967 1.0035 0.8578 1.6496 0.5312 0.8442 1.0477 0.6484 0.9901 1.5184 1.2459 1.1861 1.1919 0.7515 0.9644 0.9605 0.7287 0.6855 0.6657 0.9936 0.9205 0.7532 0.7965 0.9199 1.4271 1.7636 hydroxyasparagine** 0.9755 2.6174 1.2428 0.6062 0.7648 0.9902 0.7326 0.9735 0.8281 1.2601 1.0540 1.4594 0.9623 0.9411 1.0404 1.2172 1.3895 1.3843 1.1595 1.0031 0.9035 1.0523 1.1255 1.3367 0.8355 1.2367 1.0009 0.8214 1.9859 1.0446 0.9800 1.1984 0.9928 2.0813 0.8395 0.7867 0.8765 0.8835 1.2062 0.7823 0.6807 0.9692 0.8484 0.8246 1.3526 0.9527 0.7353 1.6098 0.9297 1.5962 0.6882 1.1060 1.0792 0.7034 1.3533 0.9991 0.7990 1.1249 1.1004 1.0981 0.8233 0.7412 0.7804 0.8014 1.3403 1.1652 1.2447 1.3911 2.1679 1.2816 1.0846 1.3011 2.0399 0.6414 0.7677 1.2756 0.7117 1.4372 1.1520 0.8658 1.0423 1.0211 0.9931 1.4574 0.6313 0.8857 1.1058 0.7139 0.8672 1.7230 1.8026 1.1022 0.8359 0.8598 0.6681 1.0438 0.9272 0.8521 0.7883 0.8447 1.0357 0.7448 0.8600 0.8348 1.6408 1.0762 hydroxycotinine 0.0481 0.9853 2.3731 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 7.1157 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.3386 0.0481 0.0481 0.0481 0.0481 1.0147 0.0481 0.0481 0.0481 0.0481 2.2152 0.0481 0.9082 0.0481 0.3966 0.0481 2.2178 0.0481 0.0481 0.0481 0.0481 0.8437 0.0481 0.1832 0.0481 0.9610 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 1.6236 0.0481 0.0481 0.0481 0.0481 0.0481 1.4234 1.4533 0.0481 0.0481 0.0481 0.0481 1.9231 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.0481 0.4873 0.0481 0.0481 hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))** 1.2289 1.4625 1.0615 0.9785 1.1473 0.8272 0.7173 1.0725 0.6760 2.5254 1.6496 1.3290 0.8454 1.0400 1.0262 0.8544 1.2864 1.4423 0.7934 1.0736 1.2223 0.9756 0.7655 1.1225 0.8953 1.0176 0.8903 1.1389 1.1287 0.8838 1.4914 0.8531 1.3180 1.0765 0.7691 0.9127 0.9490 0.9829 1.1666 1.0420 1.0730 0.9768 1.4341 0.7399 0.6066 0.7295 1.0399 1.9047 0.9383 0.8572 0.8173 0.7538 1.1689 0.8472 1.1595 0.9052 1.0067 0.7685 1.4522 0.9015 1.0654 0.8684 0.5825 0.7296 1.2363 1.0586 0.8411 0.9958 1.0042 0.6897 0.8091 0.9544 1.4992 1.0166 0.7630 1.4473 0.5453 1.1441 1.0129 1.3704 0.8474 0.9120 0.9364 0.7150 0.8099 1.1732 0.8420 0.5516 0.4323 0.7653 1.2809 0.7199 0.7952 1.0070 0.7506 0.7295 0.5741 1.3101 1.3019 1.5923 1.0050 1.1611 1.5598 2.0106 1.7386 1.9174 hyocholate 1.5935 0.6849 0.4770 1.2631 0.3005 0.3005 0.7128 0.6294 0.4627 0.6127 0.6438 5.2634 2.4274 1.2568 0.5764 0.7897 1.0758 0.3005 4.0374 1.6506 0.3005 4.3065 0.7646 0.5842 1.2407 0.3005 2.5604 3.4423 0.3005 0.3005 0.3005 1.2556 0.3005 0.8398 0.3005 1.2887 2.5854 1.6587 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.9858 0.3005 0.7009 0.3005 1.2610 0.3005 0.6694 1.0439 2.7250 2.3700 0.3005 1.0000 1.0205 0.3005 0.9856 0.3005 2.0932 0.3159 0.3005 0.8934 1.3871 1.2611 0.3005 1.4244 0.3005 0.8822 1.1338 0.3005 0.7957 0.3005 0.6668 2.0692 0.4944 0.3005 0.4128 0.4985 1.2315 3.1779 0.3005 0.3005 0.9330 0.3005 0.3005 1.0728 0.7405 0.8432 0.3710 0.6156 0.7449 0.3005 0.9078 0.3384 1.4323 0.6676 0.5415 1.5544 0.8005 0.3005 1.0216 1.2688 4.0296 1.5572 hypotaurine 2.4764 0.7347 0.8435 0.9155 1.1449 0.7306 0.8505 1.8485 0.9661 1.3725 0.6983 0.7074 1.0690 2.6933 0.6723 1.0976 1.1177 1.4068 0.6888 0.8327 2.4496 1.3787 0.6166 1.2715 1.1676 2.9226 1.0273 1.0707 2.2698 0.8434 0.8555 0.9670 1.0911 2.3074 1.4075 1.6302 0.6942 2.1978 0.9391 1.0495 0.6221 1.9132 0.8060 1.4080 0.8682 0.6663 0.6636 0.8516 2.0957 0.7353 0.8199 2.2735 0.8143 1.0665 0.4600 0.6309 0.5432 0.8946 1.1439 1.4615 1.4525 0.5507 0.7805 0.8708 1.2464 1.0885 0.6173 1.1837 0.8151 0.9345 1.2447 0.7169 2.3271 0.7212 1.1484 1.8749 0.3962 0.8330 0.8598 1.5347 0.7112 1.8695 0.5860 0.7924 0.6950 0.9017 1.8511 1.7110 1.1582 1.0772 1.5240 0.9117 0.9576 0.9727 1.1504 0.8979 1.0564 1.0605 1.4673 0.8266 1.0706 1.3021 0.9021 1.6046 1.9472 0.8355 hypoxanthine 0.9206 1.1013 0.8831 0.8772 1.3021 0.8631 0.3490 0.9792 0.6653 1.0276 1.0622 2.2193 0.6914 2.2552 1.0524 0.8206 3.9685 1.2818 1.2689 1.1545 0.5261 0.7023 1.4247 1.2110 0.7560 0.7461 0.9973 0.6040 0.8969 0.8734 0.8892 1.4753 1.0166 1.0148 0.8230 2.1911 0.9683 1.6948 0.9727 0.9825 0.7766 0.2928 1.0804 0.7917 0.8321 0.8939 1.0908 0.4304 1.2703 1.1793 1.1120 1.7445 0.2634 0.9390 0.8914 0.6584 0.7968 0.4412 1.3128 0.3523 0.6059 1.7333 1.1473 0.5763 1.0002 1.0246 2.2043 2.7699 2.2300 0.9804 1.2394 0.7644 2.0905 1.0384 1.3879 0.7328 1.1818 1.2742 0.8280 1.6568 0.5423 1.6529 1.3305 1.2499 0.9305 1.0562 1.0129 0.6919 1.0724 1.7279 1.6989 0.8613 1.6454 1.8733 0.7426 1.0065 0.8625 0.6777 0.9473 0.6012 1.4092 0.9773 0.9998 1.0439 1.0840 0.8337 ibuprofen 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 6.2352 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 4.9556 1.1296 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.8704 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.2924 0.7612 0.2924 0.2924 ibuprofen acyl glucuronide 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 4.5793 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 1.4763 1.0000 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0626 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 1.3323 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.5808 0.0575 0.0575 imidazole lactate 0.7115 1.9155 0.8321 0.7377 0.8580 0.6958 1.0506 1.0412 0.8466 1.3071 0.8692 1.0928 1.0698 0.9756 0.8791 1.4239 1.7586 1.4716 1.0214 1.7643 0.5703 0.9864 1.5522 0.9934 1.0221 0.9528 1.2080 0.9283 0.8828 0.6377 0.5676 0.9451 0.9689 1.9081 1.0066 0.9191 0.6007 0.9419 2.0155 0.6798 0.7507 0.8177 0.8110 0.7662 3.4655 1.0541 0.4173 0.9326 0.6662 1.3146 0.6263 0.9250 0.5832 1.1171 1.1503 1.0701 0.8053 0.9855 1.2621 1.5846 1.3924 1.4679 1.0298 1.5079 0.6971 1.4676 0.6481 1.2049 0.9791 1.5613 1.2991 1.1295 1.5838 0.6980 0.7418 0.5697 0.8699 1.2089 1.3792 0.7146 1.2567 1.1364 1.1057 1.0457 0.9183 0.6819 1.8772 0.9731 0.6960 1.4326 1.0513 1.4245 1.2361 0.6872 1.2535 0.9389 1.2172 1.2589 1.4960 2.5992 0.8881 0.9754 0.9253 0.5094 1.0714 1.0221 imidazole propionate 1.4446 1.5467 4.3272 0.7176 0.5100 0.9039 0.3523 0.3969 2.0234 4.6990 2.5772 1.0637 13.4392 0.7016 12.1783 0.5542 11.5690 1.4012 1.7155 0.5913 0.6287 0.9220 0.6331 0.8024 0.5271 0.6800 16.9025 3.0134 1.2830 1.3034 0.4190 1.5361 3.0607 0.9565 2.0408 3.0711 0.7996 6.3895 1.3912 0.5287 0.4189 1.2664 0.8358 1.0124 6.9850 7.2386 1.6102 2.6797 2.0381 1.1219 0.7163 8.3023 1.2193 0.6009 1.2993 1.5800 0.2921 2.3239 0.5272 2.7861 0.3612 0.4117 2.8469 0.3598 9.2203 6.5110 0.7793 0.6933 0.8710 0.9421 1.3404 14.8819 4.1101 0.4218 0.7444 1.1110 0.8448 1.7703 1.2718 0.8677 0.7573 0.4391 0.7402 0.9617 0.8187 0.2978 0.3586 3.2429 1.7959 0.9876 13.6268 2.0079 0.5679 10.0406 0.4178 0.4820 1.1919 0.8651 6.0114 0.6625 0.4566 0.6190 0.3781 0.4168 0.7047 1.3546 iminodiacetate (IDA) 1.0006 1.1149 0.9383 0.9813 0.9515 1.2196 1.0892 0.9487 0.9313 0.9141 0.9465 1.0940 0.9472 0.9440 0.8835 0.8212 0.9831 1.1436 1.1409 0.9297 1.0239 0.9395 0.9505 0.9019 1.0890 0.7996 1.2458 1.0573 1.0083 0.9576 0.8007 0.9689 0.8676 0.8157 0.7991 0.8433 0.9168 1.1181 1.1110 1.0834 1.0257 1.1182 1.2765 1.2264 1.0598 1.0838 1.3116 1.0976 1.1795 1.1031 1.3028 1.3784 1.2272 1.4052 1.2594 1.1718 1.0950 1.2560 0.8494 0.8490 1.0049 0.9757 0.7851 0.9891 0.9994 1.0484 1.2780 0.7604 0.8855 0.8180 1.1701 0.8528 0.9563 0.8729 1.3617 0.9002 0.9029 1.0945 0.8693 1.5077 0.8830 0.9050 1.5344 1.0739 0.8309 0.8436 1.0973 0.8420 0.9452 0.7652 1.3639 1.3780 1.0807 0.8959 1.1093 0.9766 0.8583 1.0816 0.8753 1.9477 1.2621 0.9038 1.0285 0.8740 1.0503 1.0805 indole-3-carboxylate 1.6261 1.0000 1.0162 0.5349 0.5349 1.1421 0.6921 1.6015 0.8101 1.7134 0.5820 1.6014 1.0367 0.5349 0.8949 0.5349 0.7296 1.1014 1.0683 1.1645 1.1045 1.1516 0.9516 1.5110 0.8275 1.3112 0.6432 0.8481 1.5668 0.7897 0.8479 1.0355 0.5349 1.9301 0.9761 0.9689 0.5349 0.9253 1.0756 1.0158 0.9074 1.1823 0.5349 0.9779 0.8442 0.5349 0.8839 1.1176 0.7631 0.9522 0.6970 0.8925 1.1029 1.3803 0.8000 0.7720 2.4587 1.2034 1.3700 0.8866 0.9917 2.5302 0.8887 0.8276 1.3499 0.5915 0.8626 0.8685 1.1739 1.3508 1.3826 1.1162 1.4074 0.6855 0.6410 0.5349 0.7023 0.9441 1.3888 0.9914 0.8387 0.9359 1.2080 1.0780 1.3523 2.0575 0.8369 0.5349 0.5474 0.8894 0.5349 1.9154 0.5349 0.9613 2.4064 0.9535 1.3082 1.1396 0.5349 1.3071 1.6286 1.0485 0.9155 0.5349 1.1210 0.8313 indoleacetate 0.7017 1.0671 0.8425 0.8780 1.2687 0.4775 1.0396 0.6094 2.0977 0.8272 1.0715 1.8828 2.3323 0.8229 2.3315 0.9039 0.4092 1.1862 1.2575 0.8304 1.1824 1.4473 4.2221 2.0327 0.4815 0.8257 1.6379 1.9304 0.8357 0.7854 0.9154 0.7410 0.6525 1.6882 2.5973 1.1512 1.2097 1.4502 1.1542 0.8298 1.3631 1.4076 0.8864 0.5161 1.6816 0.5400 0.8961 1.3867 0.7166 0.7492 0.7198 0.4075 1.9422 1.6071 0.5603 1.0502 1.5961 2.6383 2.8436 1.2390 0.8646 1.3975 1.0039 1.2186 1.5766 1.4330 0.9806 0.4562 1.3499 0.9961 4.3375 1.6937 1.2049 0.2640 0.3970 0.7606 0.4354 0.8235 0.5635 0.5814 0.7613 0.6982 1.4358 0.8217 1.5066 0.8822 0.4477 0.2521 0.3468 0.4987 0.9198 5.1804 0.4987 0.3181 1.7707 0.5728 11.1684 0.7048 2.4965 0.8895 1.4008 0.7400 2.4590 2.6697 2.5576 1.2521 indoleacetoylcarnitine* 0.2930 0.2930 0.2930 0.2930 0.6835 0.2930 0.6614 0.2930 1.5412 0.2930 0.2930 1.3765 0.2930 0.2930 0.5699 0.2930 0.2930 0.2930 0.5206 0.4227 0.2930 0.5608 1.8702 0.2930 0.2930 0.2930 0.9751 0.2930 0.2930 0.6337 0.2930 0.2930 0.2930 0.4644 2.3200 0.2930 2.2334 1.4715 0.2930 0.2930 1.1498 0.5543 0.2930 0.2930 3.5783 0.2930 0.2930 0.2930 0.2930 0.6792 0.5389 0.7379 2.2292 1.7814 0.2930 0.5121 1.9882 4.5419 0.7968 0.4159 0.7401 1.1425 0.6347 1.2018 0.2930 0.4888 0.2930 0.2930 0.7524 0.2930 3.8546 0.2930 0.2930 0.2930 0.2930 0.2930 1.4968 0.5741 0.2930 0.2930 0.2930 1.0744 0.7844 1.2112 0.3878 0.2930 0.2930 0.3404 0.6071 0.2930 0.9152 9.5490 0.5794 0.2930 2.8345 0.4612 15.7293 1.0249 1.5828 0.2930 1.7868 1.6608 1.0353 1.4357 1.7484 2.5063 indoleacetylglutamine 0.8012 0.4042 1.5444 0.7061 0.8641 0.2191 0.8195 0.9456 1.6694 0.9818 2.3663 1.8001 0.2365 0.8880 1.5224 0.4400 0.3009 1.4479 1.1232 0.6861 1.0699 1.1521 7.0241 0.2191 0.4262 2.1278 2.4589 0.3445 1.4937 0.5484 0.2700 0.2191 0.4474 3.2473 1.7662 0.4710 1.5496 1.6442 0.9797 0.2191 0.2191 1.1367 1.0081 0.2191 1.8919 0.2191 0.2191 1.7447 0.2191 0.8526 0.2191 2.1082 1.5053 0.8589 0.4573 0.4242 0.9120 5.3352 1.9687 1.2332 0.3192 1.2116 0.5581 0.7340 1.2230 2.1307 0.2191 0.4366 0.8069 1.4538 4.8499 0.6466 2.3967 0.2191 0.3226 0.5829 0.9919 1.1935 0.4917 0.2905 0.2191 1.0522 1.4984 0.9599 0.5423 0.3088 0.2191 0.2191 0.5652 1.6342 1.1956 8.1105 0.2191 0.2191 1.7225 0.6859 9.9772 0.4504 2.5773 0.7779 0.7384 1.0469 0.8683 1.0392 1.5089 1.2084 indolebutyrate 0.5670 1.2670 0.5670 0.5670 0.9701 0.5670 1.0130 0.5670 1.0207 0.9121 0.5670 0.8947 2.5676 0.5670 2.9317 3.3040 1.0303 1.3674 0.6500 0.5670 2.0899 1.2951 6.5992 3.0089 0.5670 0.9397 0.7502 0.5670 0.5670 0.8955 0.8018 0.7325 0.5670 0.9990 1.2432 1.1835 0.8406 0.7731 0.9586 0.5670 0.8065 0.5670 0.5670 0.5670 0.7552 0.5670 1.0430 0.5670 0.6485 0.5670 0.7504 0.5670 1.5926 0.8843 0.5670 0.5670 0.6632 0.5873 1.8469 0.8406 0.7111 0.5670 1.2925 0.6823 1.1539 0.6811 1.6560 0.5670 0.9107 1.7978 3.7369 1.4043 0.5670 0.5670 0.5670 0.5670 0.5670 0.5670 0.5670 0.5670 1.1459 1.0000 2.3519 0.8953 0.7667 0.6165 0.5670 0.5670 0.5670 1.3652 0.5670 4.6340 0.5670 0.5670 1.1286 0.5670 6.1758 0.5670 0.6171 0.5908 0.7688 0.5670 1.5184 2.3208 1.5294 0.5670 indolelactate 0.6695 1.3965 0.9169 1.1617 0.8041 0.7010 0.8233 0.9404 1.0187 0.5027 1.1792 0.9090 1.2983 0.8567 1.0723 0.5891 1.1486 0.8539 1.1891 1.2609 0.6898 0.7803 0.9259 0.8370 0.8152 1.1714 0.9905 0.8598 0.6308 0.9428 0.7086 1.1968 1.3626 1.8772 1.0130 0.9640 0.6325 1.0031 1.1313 0.8531 0.3630 1.1828 1.0344 0.6020 1.3649 1.3150 0.8421 1.0253 0.7585 1.5036 0.7648 1.4281 0.4441 1.3931 0.6865 0.7844 0.6586 1.8353 0.9389 1.0719 1.2427 1.2664 0.7435 1.1006 1.0309 1.3123 0.8739 0.9969 1.1425 1.6986 1.6907 1.0746 1.1121 0.3511 0.9225 0.6693 1.1126 1.0782 1.2539 0.4272 0.9556 1.0784 0.8060 1.1936 1.1469 0.6320 1.3092 0.6201 0.7368 1.6907 1.1643 1.2339 0.8966 0.5415 1.0716 1.4088 0.9588 1.3253 1.1443 1.2821 0.8393 0.6944 1.0580 0.5378 0.9773 1.3329 indolepropionate 0.6370 2.0188 0.7089 7.7861 0.6041 0.6243 2.4503 0.3731 1.4133 0.6228 0.9716 0.6222 5.0069 0.8014 0.4779 1.3554 1.6137 0.8753 1.8056 1.5103 1.0771 1.6377 0.1840 6.5042 0.2265 1.2792 1.2367 1.4986 1.3242 1.6700 2.4719 1.1897 1.0888 1.6033 0.2956 1.2100 1.1520 1.2919 2.2220 0.5951 3.0514 0.8418 0.5292 0.0191 0.0191 6.3591 0.8218 1.1087 0.7928 0.9898 0.7419 0.2832 0.8842 3.2701 0.8862 1.8143 0.7599 1.1460 0.8977 1.6745 0.9786 0.4859 0.3706 2.1970 0.5897 0.7916 1.5550 0.0191 1.0102 1.3115 0.4972 0.6859 0.6985 0.3091 0.6544 0.6587 2.8096 2.7639 1.8685 0.0191 0.7054 0.6830 1.5606 1.2885 1.1740 0.6609 0.7255 0.2565 0.0191 0.3496 1.6663 1.4907 0.2975 0.3764 1.0481 2.7315 0.3834 1.5679 2.0921 3.7035 2.2116 0.8537 1.3001 0.6833 0.6936 0.8007 indolin-2-one 0.6029 1.9563 2.1683 0.5938 0.7022 0.6953 1.1899 1.1191 0.9967 0.6022 1.0712 0.7307 2.1310 1.2970 0.9686 2.3033 1.6298 0.9975 1.2207 0.8392 0.4920 1.1444 0.6682 1.8665 0.7871 0.8273 1.2497 0.7498 6.8685 0.8961 2.5702 0.7787 2.0445 2.3209 0.6968 1.8837 0.7103 0.5951 1.5244 0.8592 1.7654 1.0609 1.0025 0.9556 1.1755 0.4762 0.4403 1.1009 1.9085 2.1656 0.7690 1.4077 1.9395 1.7711 1.3706 1.5229 1.1635 1.8070 0.7411 3.6075 0.6773 0.7068 1.1106 1.1529 1.8285 1.5291 0.4166 1.5430 1.6674 0.5590 0.9735 1.7616 1.2991 0.2876 0.7298 0.7433 0.9077 0.6586 1.6580 0.4992 1.2691 0.6047 1.3184 1.2736 0.8337 0.9604 0.9466 0.2876 0.3949 1.1145 0.8781 1.3115 0.7672 1.2785 0.5499 0.2876 0.9142 0.8389 0.9030 1.0259 0.7331 0.9535 0.7285 0.5848 2.2426 1.4654 inosine 0.5480 0.5591 0.4723 1.2505 1.0349 0.6392 0.3623 1.1588 1.0000 1.6266 1.2895 2.0615 0.8361 6.1949 1.1591 1.6047 3.5153 1.3953 1.7518 1.4123 1.0921 1.3631 1.7431 1.1156 1.5903 0.8571 1.0680 0.8924 1.5011 2.4872 1.4571 2.9884 1.0766 1.6451 2.1325 2.9527 1.2864 2.7111 1.2956 0.7156 1.0446 0.3927 2.3350 0.8222 1.0216 0.8704 3.5307 0.7587 1.8527 0.7087 1.5053 2.0365 0.2657 2.1933 1.2984 0.6552 1.1651 0.6275 2.5408 0.5380 0.9215 2.9920 1.0668 0.2653 0.6156 0.4470 1.1375 1.8293 1.3128 0.4667 0.8084 0.5417 1.2511 0.6527 0.6996 0.4233 0.5348 0.5439 0.4059 1.3089 0.2653 0.8191 0.8819 0.8234 0.6501 0.4952 0.7686 0.2653 0.5833 1.3659 0.9161 0.6297 0.9137 1.2250 0.3499 0.5621 0.2653 0.2978 0.4190 0.3435 1.0064 0.4954 0.5670 0.6343 0.7208 0.8123 inosine 5'-monophosphate (IMP) 0.8035 0.7282 0.1058 1.0020 0.6046 0.4644 1.3863 0.8646 0.7041 1.2128 0.2306 0.9573 1.2707 4.5860 0.8702 2.7120 0.8423 0.3523 1.6016 1.4783 1.9405 1.5894 0.9980 0.9611 1.2999 1.2796 0.4083 0.6232 1.3659 0.6941 0.3669 1.4475 1.2174 2.2266 0.9150 1.2286 0.7581 2.2551 0.8397 0.5677 0.6711 1.0845 1.8837 0.6130 1.7849 0.4207 0.5916 0.2775 1.7366 0.6592 1.0083 1.1208 0.6625 1.8859 1.1630 0.4028 1.3434 0.9544 1.3176 0.6998 1.1215 0.6920 0.7716 1.0352 1.0481 0.7255 0.5674 2.5631 1.2880 0.4431 0.6609 0.6945 1.6769 0.6644 1.2884 1.9508 0.4258 0.5987 1.0033 1.3775 1.0530 1.3894 0.9205 1.0869 0.8552 0.5468 2.4704 1.0398 2.1772 0.8453 0.9933 0.7875 1.1186 0.9737 1.2714 0.7303 0.5096 1.1169 1.3331 0.5696 0.8750 1.0065 1.1433 1.5873 1.1189 1.2669 isobutyrylcarnitine (C4) 1.2810 1.5682 1.2880 1.6736 0.2269 0.6311 1.0057 1.1272 0.7034 0.2395 1.3729 0.7554 2.1720 0.2385 1.0931 1.5693 0.6954 1.0246 2.9386 1.3529 0.9943 0.6294 0.7945 1.4189 0.5746 0.8240 0.8429 1.9655 1.5519 1.9559 1.3643 0.8690 1.4011 1.2939 1.7058 0.3044 1.0341 1.6104 1.0802 0.6137 1.2117 0.7916 1.0288 0.5573 0.5518 0.6797 0.3003 0.8736 0.8511 1.7471 0.8728 0.4475 2.1279 2.2026 0.8310 1.5785 1.1063 1.9774 0.9397 1.7662 1.4517 0.7622 0.8302 0.7281 1.0769 0.5920 2.1874 0.9576 1.8060 0.7559 0.8716 1.3421 0.7149 1.0484 0.5665 0.9512 0.2294 1.0953 1.2877 0.6415 0.4280 1.2418 1.6107 2.6445 0.4944 0.9052 0.5642 0.4211 0.7067 0.5598 1.1540 1.2780 0.5422 1.9567 1.2346 0.8330 1.4012 0.7902 1.9730 0.9343 1.1217 0.6697 0.5668 0.5044 1.5048 3.8842 isobutyrylglycine 1.0854 2.5224 0.7277 1.4269 0.5812 0.6431 1.0771 0.9976 1.0748 1.3535 1.5704 0.6744 0.8485 0.7137 1.0864 1.2990 1.1811 1.3603 1.2866 2.3273 0.8544 0.7548 1.0000 0.8339 0.2107 1.0949 1.7705 1.8967 1.7735 0.8967 1.0815 0.7380 1.1775 1.3503 0.8935 0.2107 0.6159 1.6558 0.7516 0.2107 1.1217 0.7415 0.9041 0.6963 0.6594 1.3613 0.7409 1.1973 0.8882 2.3805 0.5746 0.2107 1.4922 1.9000 0.8475 0.8217 1.4791 1.4645 1.1540 1.0973 1.2267 1.6064 0.9637 0.8874 1.4451 1.4026 2.5693 0.8364 2.0694 0.8379 0.5729 0.9356 0.9815 1.4886 0.8530 1.4317 0.6630 0.5732 1.0940 0.2107 0.8888 0.9828 1.1196 1.2977 0.6180 1.0562 0.7518 0.2107 0.7270 1.0136 0.9291 0.6257 0.2107 0.9633 0.5203 0.2107 0.7129 1.3720 1.7396 1.3093 0.8902 0.6520 1.6735 0.6561 0.8391 2.0956 isocitrate 0.5690 1.3473 1.2520 0.4394 1.3127 1.2823 0.7518 0.8540 0.9167 0.3384 0.9481 0.6550 1.0109 1.3760 1.6329 1.4308 0.8925 0.3384 0.5377 1.5416 0.4817 0.9625 0.5553 1.4182 0.5684 1.0001 0.4971 0.6997 1.0847 0.4303 1.0309 1.2005 1.0919 1.3599 1.0249 0.3384 2.4875 0.5722 1.0443 0.6125 0.3384 1.1199 1.2116 0.9999 1.5493 0.8000 0.3384 1.0428 0.4271 1.0978 0.6936 2.0337 0.4762 0.3384 1.6141 0.7072 0.3384 1.2288 2.3134 1.3586 1.1421 0.9859 0.9559 0.3384 0.9144 1.5280 1.0297 1.4494 0.8906 1.2379 0.8983 0.9164 1.9362 0.3631 1.0047 1.0163 1.9085 1.0742 1.3933 0.7360 0.8366 0.8711 1.1750 0.8822 0.6056 0.3827 1.1339 1.9761 0.3384 2.2192 1.0584 1.3704 0.8516 1.3794 0.6092 0.6074 0.7718 0.4755 1.0686 0.7700 0.7446 0.5284 0.8565 0.5678 1.8552 0.9359 isocitric lactone 1.7142 4.0720 1.4343 0.9982 1.3275 0.1986 0.1986 0.1986 0.4967 0.8065 1.0661 0.4197 5.2334 1.0000 1.1558 0.3771 0.8491 1.1934 1.6111 0.1986 0.5428 1.2145 0.6951 1.4013 0.1986 2.4667 0.2927 0.7504 2.5216 0.3378 0.2578 0.6138 2.3304 1.6849 0.4598 1.1409 1.0996 1.0019 0.4681 0.2523 0.1986 2.4501 0.6629 0.7109 0.7285 1.6911 1.1120 0.9356 0.1986 0.5445 0.2972 6.8122 0.1986 0.3917 2.2240 0.2973 0.1986 0.6324 1.9993 0.4664 0.1986 1.0748 0.1986 0.1986 0.1986 0.1986 1.1014 2.7515 0.1986 1.6703 0.6599 0.1986 2.8836 1.2711 1.2877 1.2924 0.3774 0.6477 1.1791 0.1986 0.1986 0.6960 1.1356 0.9758 0.1986 0.6023 0.4611 1.6800 1.0666 3.9075 3.1074 0.3951 0.7412 0.9087 0.1986 0.1986 0.1986 0.1986 0.1986 0.1986 0.1986 0.1986 0.2677 0.7885 1.0656 0.1986 isoleucine 0.8853 0.9187 0.9630 0.9937 1.2656 0.8818 0.8263 1.0013 1.0400 0.9481 0.8700 0.8636 1.3212 0.7880 0.9053 0.8579 0.6934 1.0123 1.0281 0.8881 0.9521 0.9532 1.0092 0.8047 1.0443 0.8888 0.9273 1.0138 0.7721 1.1646 0.6436 0.9448 0.7346 0.9354 1.1399 1.1393 0.9479 0.6721 0.8681 0.9987 0.6692 0.8810 1.1700 0.9533 1.1974 1.3043 0.9465 0.7181 1.0036 0.8128 1.0909 2.2160 0.6603 0.9011 1.0736 1.1044 0.8530 1.0815 1.0421 1.4429 1.1600 1.0272 1.1028 1.1736 1.0776 1.2576 1.0458 0.9763 0.8630 1.1243 1.2800 1.0829 0.9745 1.2339 1.1828 1.0016 1.1232 1.2260 1.1679 0.6452 1.0337 1.0861 0.8236 0.9718 1.1086 0.7599 1.2343 1.0327 1.1078 1.2238 1.3657 1.2410 1.1369 0.9770 1.4091 1.0051 1.1480 0.9178 0.8265 1.1486 0.9730 0.7382 0.8999 0.8234 0.8952 0.9069 isoleucylglycine 0.8844 0.4350 0.4350 0.5898 0.4350 0.4350 0.4350 0.8619 0.9260 0.9297 0.4350 1.0870 0.8748 1.3019 0.4350 1.5565 0.4350 0.6807 0.4350 0.7118 0.7985 0.8614 0.7819 0.7973 0.7040 0.8281 0.7470 0.5889 1.7491 0.4350 0.9743 0.4350 0.8008 1.9090 0.4350 2.7465 0.7037 1.2374 0.4350 0.4350 0.4350 0.4350 1.1613 0.4350 0.4350 0.4350 0.4350 1.2190 0.8213 0.4350 0.6374 1.0176 1.0670 0.7431 0.4350 0.4350 0.4350 0.6763 0.9113 0.7277 8.5844 0.4412 0.4350 0.8039 1.2112 1.1552 1.0178 1.1797 1.4911 0.4350 0.4350 1.7071 0.4350 0.4350 0.4350 1.9173 0.4350 1.3058 0.8317 1.4401 1.0998 1.2732 1.0977 0.8250 0.8377 0.9824 1.2797 1.1095 1.2917 0.5380 0.8296 0.4350 0.6634 0.4350 1.2026 1.8136 1.4514 0.8781 1.0337 1.1479 1.8711 1.0362 2.1197 0.7951 1.9567 1.7756 isoursodeoxycholate 0.1853 1.0808 2.1205 0.3854 1.0070 0.4818 0.9120 0.5087 2.8981 3.5658 0.2410 3.5156 3.9762 0.3669 2.0680 3.6285 2.7377 0.8756 3.2349 0.2161 0.4709 1.6913 0.2451 1.6382 3.8539 1.0723 1.4292 1.3289 0.3885 0.3005 0.1938 1.6750 1.4841 1.2129 5.0002 11.8037 3.4491 0.8459 1.3164 0.2881 0.5949 0.5539 0.4168 1.6698 24.2157 0.2168 2.2563 4.7798 3.0950 0.3187 1.3997 6.3912 0.4342 0.6358 0.3179 0.7602 4.2325 3.0512 0.3741 0.3528 0.2162 0.9461 0.5757 0.9966 1.7339 0.7897 2.7962 7.5766 2.2483 1.1265 0.3795 0.6715 7.2557 0.1946 1.8018 19.8506 6.6481 0.4294 1.1538 6.0730 0.2601 0.6396 1.0879 0.8725 0.8859 0.2579 1.0034 0.8879 2.3518 8.4132 1.9117 0.5381 3.0992 9.6003 1.8036 0.2863 5.6196 0.9524 0.6832 0.0555 0.5022 0.5493 0.3608 0.3981 0.9653 0.9083 isoursodeoxycholate sulfate (1) 0.2073 0.6130 1.3713 0.2073 1.4927 0.2979 0.2073 0.2073 0.8482 1.0656 0.2073 1.8597 0.8574 0.2073 0.2995 2.0739 1.0348 0.2073 0.6987 0.2073 0.2073 0.6175 0.2073 0.2073 2.3074 0.5679 0.2073 0.2073 0.3363 0.2073 0.2073 0.7712 0.6010 0.2073 1.0338 6.3530 0.2073 0.2073 0.2672 0.2073 0.2073 0.2221 0.2073 1.5096 13.5109 0.2073 0.6173 2.3016 1.1779 0.2073 1.5471 5.9050 0.2073 0.2073 0.2073 0.2630 0.7038 7.5295 0.2073 0.2073 0.2073 0.2073 1.1174 0.2073 0.2073 0.2073 0.8928 3.0030 0.4537 0.6878 0.2935 0.2073 5.4003 0.2073 0.2073 4.4067 5.0008 0.2073 0.2867 1.0000 0.2073 0.3453 0.2073 0.2073 1.0016 0.2073 0.8232 0.9978 1.1010 1.3707 0.6450 0.2073 1.3676 1.8835 0.4988 0.2073 3.6087 0.2073 0.2073 0.2073 0.2073 0.2073 0.2073 0.2073 0.2073 0.2073 isovalerate (i5:0) 1.0955 0.8281 0.6558 0.5713 0.8014 0.3653 0.3653 0.6742 0.5553 0.6485 1.6626 1.7318 1.0000 0.3653 0.6339 0.9890 0.8129 3.6169 1.4452 1.6777 0.9588 0.3653 0.8398 1.9380 0.6487 2.0880 1.0466 0.7489 0.3653 0.5895 0.8291 1.1484 2.0036 0.7672 1.5099 1.1475 0.8333 1.4479 0.8223 1.4892 1.3023 0.5469 0.7348 1.1427 1.2708 2.3175 1.8857 0.3653 0.5737 0.3653 0.9061 0.9667 0.8441 1.1394 0.6252 1.4548 0.6663 1.0438 0.9166 2.2109 0.8554 1.6149 1.6341 1.0790 0.9249 0.7174 0.6011 0.6759 1.4856 1.0123 1.1717 0.8578 0.8715 0.7005 1.2368 0.6537 1.3065 1.1062 1.0899 0.3653 0.7768 0.9667 0.7595 0.9459 1.7265 0.6956 2.8012 0.9347 1.3383 1.3867 0.8613 2.0654 2.0768 2.0502 1.1442 0.7256 1.2922 1.4104 0.7958 1.2086 2.0903 0.7283 1.3075 0.9385 1.3525 1.1561 isovalerylcarnitine (C5) 0.9824 0.6570 0.8853 0.6183 0.5512 0.5300 0.3711 0.7847 0.9317 0.2317 0.7451 1.7752 1.9991 0.6214 0.8174 0.5669 0.6922 1.3173 1.9068 0.9093 0.5243 0.6271 1.2983 1.3606 0.6312 1.7462 1.0103 0.8090 0.4848 1.3310 0.8589 1.6148 1.6585 0.7853 1.1559 0.7967 1.0359 1.1212 0.9237 0.8517 0.6513 0.6884 1.3456 1.1547 0.7724 1.6537 0.4520 0.5858 0.7685 1.0393 1.1717 1.0546 0.6851 0.8434 0.7623 1.5447 0.4514 1.3998 0.7104 1.8298 1.4785 1.6276 0.9492 1.3414 0.8125 0.7558 1.5910 1.1796 1.4971 1.4171 1.4531 0.7538 0.4979 0.4812 1.2104 0.5184 0.8347 1.1527 1.0471 0.3538 0.6913 1.3305 0.9752 1.7483 1.3852 0.9932 1.9763 0.9940 2.2010 1.0060 1.1672 1.5924 1.4989 1.6755 1.6287 1.0149 0.8705 1.3733 0.8931 1.0066 1.8530 1.0062 1.4581 0.9538 1.2082 1.4425 kynurenate 1.1926 1.3449 0.5611 0.7032 0.7304 0.7428 0.9887 0.9376 0.8993 0.6924 1.0948 0.9668 0.7223 0.3995 1.0074 1.1791 1.9063 0.7985 1.4811 1.1994 0.8996 0.5669 1.8493 0.6724 0.8020 0.9062 1.0943 1.0691 1.0852 1.4021 0.4351 1.2635 1.1347 1.8947 1.0917 0.3176 0.7215 0.8137 1.0691 0.7664 0.8268 0.9122 1.2547 0.4930 1.3559 0.7230 0.6589 1.6737 0.7757 1.0358 1.2282 0.7410 1.0733 1.7130 0.5160 1.1492 0.8457 1.5636 1.2539 1.7683 1.1606 0.9994 0.7390 1.2735 0.6383 1.1304 1.4865 2.1044 1.1510 1.5822 1.1650 0.9800 1.4818 0.2837 0.9768 0.6527 0.4793 1.2720 1.0006 0.5842 0.7530 1.2094 1.4919 1.3741 0.7047 0.7432 1.3274 0.6239 1.0899 0.8550 1.0942 1.4796 1.0035 0.4563 0.8449 1.3783 0.8422 1.2433 0.7204 1.2042 1.3584 0.6081 0.5889 0.8630 1.3183 0.7823 kynurenine 1.1882 1.4080 0.7864 0.9431 0.7276 1.0180 0.8453 1.0287 0.8969 0.9207 1.1129 0.7834 0.9783 0.7829 0.7993 1.2108 1.1254 1.1976 1.2158 0.9652 0.9296 0.9142 1.0381 0.8783 1.1345 1.0362 0.8630 0.8379 0.9557 0.9082 0.5463 1.3047 1.3448 1.3249 1.1896 1.0653 0.6072 1.1186 1.4193 0.6378 0.5878 1.2086 1.3255 0.8884 1.4371 1.0066 0.8552 1.3748 0.7043 1.4302 0.8592 0.8274 0.8655 1.6289 0.9527 0.8809 1.1602 1.6059 1.2200 1.2983 0.9564 1.1815 1.1865 0.8171 1.1311 1.4059 1.0261 1.3600 1.4262 1.4264 1.2950 1.3604 1.7291 0.3643 0.8127 0.9385 0.7607 1.2845 1.0394 0.8633 1.0837 0.7252 0.9949 1.1086 1.0420 0.9069 1.0386 0.6613 0.6738 1.9284 0.9525 1.5084 0.9717 0.5980 0.9511 0.8539 1.1861 0.9677 0.9983 0.9305 1.0017 0.7723 0.9518 0.8567 1.7610 1.0179 L-urobilin 2.0112 0.6486 0.8715 0.4189 2.1125 0.1461 1.0026 0.1461 0.1461 0.1461 1.2073 1.1365 0.1461 0.2576 1.8255 2.0165 0.1461 1.4637 0.1627 0.5557 0.9454 2.0379 1.7875 0.6354 1.1492 0.1461 0.1461 0.1461 0.1540 1.1675 1.9886 0.2909 0.1461 1.7096 0.1806 3.5753 0.1461 0.7469 3.4448 7.0929 0.7562 0.9036 1.0305 0.4171 0.1461 0.5301 0.1461 0.1461 1.5858 0.6782 0.1461 0.1461 0.9974 1.6040 0.1461 6.6542 1.9296 31.6802 2.4907 0.3954 0.1553 0.1461 1.7686 1.3859 0.3179 0.1461 0.9611 0.1461 0.1461 0.4461 8.6904 2.3656 0.1461 0.1710 0.1461 0.1461 0.3635 0.4663 0.1461 0.1461 0.8796 7.8983 0.5825 0.1461 0.1461 0.1461 2.2903 0.1461 0.1461 0.1461 2.3368 0.6997 0.1461 0.6124 1.3376 0.1714 6.2421 0.1461 0.1461 0.5648 4.4657 1.2090 0.3288 0.1461 0.6951 0.1461 lactate 0.8582 1.3341 1.0727 1.2542 1.0921 0.9978 0.5623 1.0003 0.7006 0.9131 1.3296 1.0163 2.1063 2.8906 1.4482 0.5519 1.0189 0.6990 0.8299 0.7201 0.7343 0.9997 0.9908 1.7374 1.5364 0.9646 0.8454 0.5289 0.7741 1.0484 0.7328 1.1533 1.1371 0.8111 1.4618 2.4389 0.9506 0.9451 1.3054 0.7606 0.4178 1.2670 1.1668 0.7693 0.9447 1.5674 1.4724 0.4548 0.9483 1.1030 0.8297 2.5118 0.4410 0.8975 1.6018 0.9345 0.7095 1.4302 1.8413 1.3319 0.7167 1.4208 1.1686 0.8850 0.9166 0.6980 1.6847 1.8962 1.0144 0.9233 1.5526 1.1268 1.9642 1.0981 1.3514 1.4988 1.2129 0.7659 0.8157 1.4601 0.8049 1.2099 1.1325 1.0807 0.9602 0.7894 0.7915 1.1364 0.8590 2.3325 1.6891 1.2415 1.1272 1.6414 1.0488 0.9537 1.0431 0.8112 0.8762 0.7231 0.6956 0.8646 0.7029 0.7000 0.7172 0.6480 lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* 1.4274 0.8634 0.4844 1.1092 1.0059 0.7683 1.3624 1.0677 1.0710 0.8998 0.4799 0.9097 0.9904 2.1844 1.1850 1.3780 0.9596 0.7206 0.3230 1.1485 1.5087 1.4773 0.5462 1.3317 1.1554 1.0410 0.6131 0.5528 1.1752 0.8231 0.9838 1.6993 1.2305 0.9907 0.7338 1.0772 0.9519 1.9210 0.6572 1.2556 0.8706 1.2082 0.8851 0.7727 1.7330 0.5979 0.7730 0.4450 1.2804 0.5822 0.6821 0.6825 1.0595 1.5388 0.4116 1.2129 1.6827 1.1197 1.2875 0.5671 0.8731 0.6218 1.1882 0.7898 1.7672 1.0817 0.6481 0.5068 0.6384 0.6816 0.6643 1.5140 0.7230 0.9998 1.0615 1.2989 0.4543 0.6099 0.4501 1.8812 0.8514 0.9847 0.8492 1.1890 0.8541 0.6370 1.4147 1.0257 1.4233 0.7588 1.1578 0.5895 1.4093 1.1454 1.0002 0.4970 1.0127 2.2696 0.9744 1.7055 1.2294 0.6514 2.4259 2.2756 1.3971 2.4921 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 1.4993 1.2512 0.9028 1.2882 1.1719 0.6797 1.0059 1.1638 0.6448 1.3687 1.0898 1.2337 0.7124 1.1695 0.9984 0.6684 1.0705 1.1437 0.6562 0.9762 1.7033 1.1419 0.8558 1.2499 0.8408 0.9517 0.7969 1.0505 1.0449 1.1585 1.4809 1.2864 0.7390 1.3244 1.2907 0.9286 0.5820 1.3373 0.7702 1.0207 1.2883 1.0547 0.9450 0.8401 1.0215 0.5502 0.9170 1.0036 0.8989 0.7899 0.7594 1.0707 1.0691 1.0038 0.2818 0.9980 0.9174 0.8276 1.3372 0.6290 1.1880 0.9306 1.3497 0.8146 1.2080 1.3677 0.7108 0.5654 0.9774 0.5713 0.7298 0.9249 1.1831 0.8136 0.5493 1.4306 0.5738 1.1423 0.7922 1.6616 0.7582 1.2175 1.0374 1.0703 0.6491 0.8052 0.8349 0.6790 0.9033 0.7598 1.2543 0.5594 0.7567 1.0016 0.7143 0.5638 0.6989 1.6599 1.3039 1.8254 1.1783 0.9646 1.7421 1.7116 1.8232 1.9963 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 1.1820 1.6213 0.9990 1.2784 0.8466 0.9285 1.0186 1.0911 0.6343 1.5940 1.3603 1.1694 0.7776 0.7272 1.1061 0.7935 0.9105 1.1938 0.8047 0.8986 1.9042 0.8916 0.7160 1.1740 0.7015 0.9361 1.0012 0.9290 1.0132 1.2010 1.3546 1.0771 0.9578 1.5265 1.5469 1.0532 0.6729 1.2694 0.9616 1.1361 1.2358 1.1125 0.9859 0.9066 0.6953 0.6551 0.9229 1.2639 1.0694 0.9428 0.9516 1.2352 0.8680 0.8193 0.4518 0.9342 0.9530 0.6641 1.1250 0.7857 1.0739 1.0952 1.1277 0.7615 1.2520 1.2602 0.7452 0.7463 1.0612 0.6362 0.8826 0.7302 1.5562 0.8146 0.6016 1.4198 0.7250 1.0512 1.0010 1.5361 0.8007 1.0077 1.0998 1.1186 0.5738 0.9985 0.9325 0.6002 0.7773 0.7537 1.1493 0.7158 0.5811 1.0444 0.7977 0.7100 0.8094 1.5591 1.3775 1.5604 1.4241 1.1690 1.4320 1.8061 1.7293 1.3550 lanthionine 0.2039 2.4470 0.6114 7.3647 0.2039 0.2039 0.2039 1.7421 0.6044 0.5483 7.9205 0.7945 2.6516 0.2039 0.9768 0.9500 1.1582 0.2039 2.4120 1.0545 0.8544 0.2039 0.2039 0.2039 0.2039 0.4519 1.4915 0.2039 0.2039 1.0232 0.9750 0.2039 0.2039 1.2917 0.7475 0.2039 0.2039 0.2039 1.4164 0.2039 1.2281 0.2039 0.2039 0.2039 0.5335 0.7977 0.4370 1.6632 0.9324 1.1950 0.3613 0.2039 1.1870 0.9039 0.2039 0.8725 0.2039 0.3655 0.2039 1.1851 0.8039 0.7169 0.8574 0.2039 1.3310 1.7741 0.2039 0.9363 1.6406 0.2039 2.5051 0.2039 0.2039 2.1948 1.0674 1.6772 0.2039 0.9584 1.5331 0.6202 0.2039 0.9414 0.4291 0.2039 0.9571 0.2039 2.0531 0.2039 0.2039 1.2400 0.2039 0.2039 0.2039 2.6993 0.2039 0.3161 0.2039 1.5440 0.2039 0.2039 0.2039 0.2857 0.2039 0.2039 1.4531 0.2039 laurate (12:0) 1.0508 0.6856 1.0368 1.2559 1.5184 0.9899 0.6875 0.2096 0.8915 0.3874 0.9040 0.9125 0.9872 1.3118 1.7186 1.9721 1.3673 0.6195 0.4392 0.8646 0.7367 0.7064 1.2499 1.0666 0.4091 1.0156 0.8735 0.9414 1.2925 1.9783 1.0032 0.7019 0.6696 1.2766 0.6449 1.1118 1.2032 0.9791 1.1909 1.2773 0.6520 0.5547 1.1555 0.9559 0.8126 0.6361 1.3866 0.8123 1.4460 0.5990 0.8021 1.6989 1.1692 0.9266 0.4213 0.9649 1.1133 0.8198 1.8688 4.9406 1.3090 1.0737 1.9207 0.7885 0.5846 0.9080 0.7267 0.4831 0.6327 0.6161 1.6502 2.0882 1.8485 1.3007 1.0842 0.9032 3.3347 1.0313 1.0856 3.0311 0.8860 1.4790 1.5407 0.6750 0.6837 0.6240 0.7804 1.1062 1.0100 1.2141 1.3476 1.0965 0.5696 0.6017 2.0984 1.8838 1.5596 0.9968 0.3806 2.1069 0.7536 1.1546 0.7793 1.0640 1.0642 0.6636 laurylcarnitine (C12) 0.9291 0.4556 1.0104 0.1768 0.6090 1.0354 1.1926 0.1658 1.1451 0.0805 0.4913 0.7118 0.9316 1.0366 0.9258 1.1805 1.0763 0.2766 0.5568 0.9933 1.0361 0.4957 0.3297 0.5481 0.6596 0.4133 0.4603 0.7333 1.7319 1.5704 0.5107 0.6149 0.6985 1.3397 0.9031 0.9481 1.2242 1.8843 0.9076 0.5885 1.1744 0.5406 0.8857 1.2197 2.3258 0.6441 0.1906 1.0417 1.9809 0.7280 2.2386 1.3751 0.9315 2.3772 0.2065 0.6546 0.6963 1.9795 0.8961 1.2717 2.2153 1.3771 1.3877 1.3965 0.5223 1.3598 0.8953 1.2027 0.9758 1.3425 1.4041 2.1874 2.5515 0.7593 0.8378 1.1433 0.5152 2.2383 1.1590 0.8184 0.8045 2.4906 1.3460 1.0067 0.6163 1.2261 1.2515 1.3765 0.9360 0.9407 2.2419 1.3125 0.7223 0.6262 1.3973 1.3346 1.6288 2.9563 0.2648 0.8768 2.3620 0.9279 1.6290 1.5673 2.7964 1.3339 leucine 1.0001 0.9734 0.9288 0.9690 1.1515 0.8333 0.8909 0.9984 1.0852 0.7817 0.8773 0.8291 1.2894 0.7247 0.9160 0.8075 0.6922 1.1745 1.1313 0.8195 0.9702 0.9561 1.0176 0.7737 0.9941 0.9137 0.9492 1.0955 0.7897 1.1817 0.6709 1.0016 1.1483 0.7737 1.1086 1.0812 0.9382 0.7487 0.8091 1.0058 0.6764 0.9145 1.1916 1.1594 1.0094 1.3295 1.0833 0.7449 0.9182 0.7984 1.0670 2.0467 0.6924 0.8712 1.0169 1.0590 0.8302 1.0708 1.0103 1.3012 1.0809 1.0525 1.0188 1.2187 0.9277 1.1923 1.1406 0.8778 0.8725 1.1134 1.1370 0.9999 0.8635 1.0025 1.1749 1.1054 1.0944 1.2083 1.2227 0.5838 0.9394 1.1607 0.8353 1.0478 0.9944 0.6969 1.3017 0.8632 1.1068 1.0349 1.2382 1.1870 1.1480 1.0053 1.3878 0.9940 1.0698 0.9566 0.8927 1.1557 1.0309 0.7992 0.9553 0.7866 0.8752 0.9133 leucylalanine 0.9179 1.7318 0.5188 1.5920 1.9336 0.9286 0.3872 0.3872 0.7323 0.9039 0.6108 1.1272 1.6646 0.9346 0.3872 0.6382 1.4686 0.6690 1.5280 0.6599 0.9986 1.2831 0.9323 0.7748 0.8751 0.7462 0.5220 1.1894 0.7887 0.7295 1.0984 0.4330 1.1039 2.0014 0.7633 0.9903 1.3418 1.1489 0.5930 1.1930 0.5129 0.6961 0.8501 1.2082 1.3313 1.8605 0.8537 1.2781 1.0009 0.8971 1.2992 1.1919 1.1607 0.6082 1.1125 1.2070 0.3872 1.9987 0.3872 1.5576 1.3169 0.9943 0.9295 1.2435 1.2878 1.7595 0.7884 2.4171 1.2908 1.0937 1.4565 0.9145 1.2080 2.0124 0.8985 0.9142 0.5883 1.3800 0.8237 0.4304 0.6376 1.2478 0.5175 0.7561 0.4514 0.5833 1.1855 1.3434 0.5591 2.2051 1.3245 1.2171 1.5702 0.9459 0.8098 0.4441 0.3872 0.9553 1.2041 0.3872 1.4550 0.9991 0.9151 1.5752 1.2097 1.1956 leucylglycine 1.5326 0.5315 0.2848 0.7755 0.5672 0.5582 0.8010 0.5264 1.1080 0.6769 0.4435 0.7997 0.2848 1.5012 0.8512 1.3163 0.6493 0.8385 0.9930 0.5458 1.1713 1.3101 0.6965 1.2350 1.0224 1.1625 0.2848 0.8689 1.0482 0.8088 0.4670 1.2567 1.0575 1.8604 0.7054 0.5890 1.0142 1.4639 0.7623 0.8003 0.6760 0.2848 0.9879 0.4690 0.9101 0.2848 0.7239 1.1981 1.9661 0.6641 1.2045 0.5974 0.8124 1.2122 0.6131 0.5315 0.8152 0.5300 1.1872 0.9664 1.2752 0.3717 1.2329 0.7121 1.3953 0.9097 1.0040 1.3910 1.1485 0.2848 0.7014 1.1431 0.7033 0.8058 0.9775 1.3294 0.7317 1.2202 1.0857 1.5188 1.3795 1.1862 1.1705 1.0185 1.1777 0.6068 1.5051 1.7628 2.0496 0.9484 0.5330 0.8715 0.8613 1.1307 1.1350 1.0000 0.8551 1.0933 1.2948 1.1880 1.0282 1.6674 1.6996 1.1994 1.3222 1.0597 lignoceroyl sphingomyelin (d18:1/24:0) 0.9457 1.1581 1.0757 1.1403 1.1102 0.6462 1.1582 0.7383 1.1768 0.8810 1.2638 0.9919 1.0404 1.0038 0.9609 0.9230 0.9399 0.5753 0.9367 0.7230 1.0367 0.8073 0.7681 1.0160 0.6236 0.8720 0.8982 0.7120 0.9864 0.9629 1.2330 0.9428 1.0634 0.7048 1.0345 0.8484 1.0123 1.4049 1.1661 0.8095 0.9746 1.1565 0.8588 0.9408 0.8777 1.0989 1.0199 1.5222 0.6956 0.7173 1.1952 1.1452 0.9598 1.3804 0.8228 0.7505 0.8498 1.0809 1.0555 0.8753 1.2504 1.0789 0.8949 1.0889 1.1019 1.2071 0.6150 0.9893 1.1717 0.7156 0.6783 2.0242 0.8693 1.4460 0.9962 1.7296 0.8606 1.0727 0.7525 0.8919 0.7790 1.3717 1.3314 1.3143 0.9767 1.1043 1.0163 1.1223 0.5846 1.2489 1.4557 1.0333 0.5929 0.8233 0.9797 0.6678 0.8678 1.7490 1.1685 1.3552 0.8499 1.0678 1.6992 1.6684 1.1529 2.1953 lignoceroylcarnitine (C24)* 0.8945 0.6313 0.6286 0.3010 0.5082 1.4049 0.7807 0.3452 1.4255 0.3328 0.3275 0.8918 1.6688 0.7915 0.5271 0.6320 1.0827 0.4494 0.5887 1.1410 0.7928 0.5122 0.4208 1.2346 0.7563 0.2826 1.0240 0.3809 1.1747 0.8969 0.2826 0.6689 0.8946 1.4567 0.8925 0.2826 1.1705 1.5980 0.6072 0.9474 0.7255 0.4800 0.6799 1.0039 1.1559 0.7714 0.6245 0.6027 1.1783 0.6289 1.2241 0.4939 1.3065 1.1880 0.5766 0.7273 0.6842 2.1132 1.6162 0.6742 1.5377 0.9284 1.1716 1.0569 0.7111 1.0053 0.6940 1.7384 1.1171 0.9293 1.5094 2.4205 1.5348 2.0055 1.1694 1.4875 0.8941 1.1411 0.5242 1.1352 1.0670 1.2422 1.4967 0.8795 1.1287 1.5560 1.0624 1.4909 1.0815 2.7585 1.3345 1.0553 0.9961 0.8340 0.9791 0.6229 1.8784 1.3741 0.9735 1.5707 2.2007 0.9924 1.5866 1.8085 1.1772 1.6069 linoleate (18:2n6) 0.7755 0.8066 0.6099 0.3335 2.1302 1.0605 1.2223 0.1592 1.0065 0.2497 1.0883 1.5628 1.0145 0.7715 2.2662 1.4458 1.2086 0.4427 0.6753 0.6578 0.6966 0.2810 1.6263 0.7891 0.8813 0.6524 0.5881 0.6670 1.2375 1.5904 1.4434 0.6471 0.6349 0.7258 0.4485 0.6378 1.4113 0.6078 0.7512 1.1303 1.1882 0.5685 0.6923 1.2130 1.1535 0.6618 0.8372 0.6506 1.2925 0.5987 1.1630 2.5818 0.5436 1.0453 0.4236 0.7157 1.2463 0.5801 0.9115 0.9544 0.6916 1.0687 1.6530 1.4882 0.7663 1.3289 1.0051 0.8468 0.9644 0.9949 1.2526 3.4484 1.7806 0.9842 2.0803 1.4733 1.2510 1.8554 1.5130 1.6956 0.5375 2.1404 1.2660 1.5773 0.8509 0.6741 1.1391 1.6422 3.7495 2.2069 1.4763 1.0304 1.3705 0.9357 0.5823 1.8527 1.8518 0.8367 0.3445 1.5814 1.5702 0.9363 0.8829 1.3136 0.8221 0.7337 linolenate [alpha or gamma; (18:3n3 or 6)] 0.6963 0.7897 0.7346 0.2497 2.5912 0.9733 1.3555 0.0979 1.1145 0.2130 1.1464 1.4189 0.7781 0.8330 2.6361 2.0338 1.5429 0.3681 0.5681 0.5445 0.7235 0.3134 1.6626 0.9634 0.9812 0.5433 0.6015 0.6984 1.5981 1.7442 1.3284 0.7416 0.7378 0.7862 0.4297 0.7319 1.2784 0.7649 0.9857 1.1456 1.1317 0.4948 0.9109 1.3000 0.9742 0.6029 1.0201 0.5894 1.6116 0.5696 1.0372 3.3797 0.4226 1.0827 0.2855 0.7372 1.4008 0.3610 0.9119 1.1518 0.8330 0.8358 1.9031 1.4627 0.4951 1.1426 0.9711 0.8297 1.1661 0.6989 1.2595 3.4357 1.8282 1.6258 2.3093 1.6151 1.3659 1.9415 1.1722 1.8684 0.4180 2.3301 1.4787 1.3889 0.9259 0.6305 1.0953 1.9419 3.9003 2.2945 1.2629 1.1930 1.9140 0.8085 0.6142 1.8481 1.6771 1.1100 0.2443 1.2223 1.5072 1.0143 0.7161 0.8421 0.8125 0.7474 linolenoylcarnitine (C18:3)* 0.6328 0.3998 0.3998 0.3998 0.3998 0.9687 0.3998 0.3998 0.8963 0.3998 0.3998 0.8137 0.4819 0.3998 0.5438 1.0744 0.3998 0.3998 0.3998 0.7898 0.6405 0.3998 0.3998 0.3998 0.7822 0.3998 0.3998 0.3998 1.4194 1.1080 0.3998 0.3998 0.3998 1.4331 0.3998 0.3998 0.7836 1.2360 0.3998 0.4423 1.0822 0.3998 0.4953 0.3998 0.3998 0.3998 0.3998 0.3998 1.4569 0.3998 0.9952 1.0924 0.6853 1.0051 0.3998 0.3998 0.6536 0.3998 0.4402 0.3998 1.1878 1.1855 0.8469 1.3530 0.3998 1.5333 0.3998 0.9776 1.7293 0.3998 1.2366 1.1630 1.6790 1.4150 0.5709 0.8748 0.3998 1.9017 0.3998 0.7209 0.6290 1.8604 0.3998 0.3998 0.8109 0.3998 0.6131 0.8747 1.1720 1.3275 0.3998 1.1064 1.1369 0.3998 0.6169 1.3142 1.2950 1.8978 0.3998 0.7307 2.1387 0.9220 1.0000 0.7778 1.4171 1.3432 linoleoyl ethanolamide 0.9333 1.1986 1.0542 0.5157 1.5470 1.8076 0.9018 0.6270 0.6769 0.3063 1.2113 1.9150 1.0430 0.9835 0.9838 1.2079 1.2750 0.4619 0.8588 0.8575 0.9895 0.2390 1.4598 0.6127 0.6512 0.2390 0.7498 0.3846 1.5102 0.4343 1.3366 0.4958 0.4940 1.1086 1.1749 1.2787 1.1288 0.9328 0.9267 1.0610 1.1740 0.4511 1.1092 0.6784 0.5008 0.5296 0.5033 0.8458 0.8486 0.2735 0.5016 1.3140 0.3886 1.2852 0.2390 0.5363 0.9985 0.5202 0.6311 0.2390 1.3459 0.7729 1.0234 1.0546 0.7642 1.1621 1.1063 1.0847 1.5912 0.4143 0.7640 4.5011 0.9779 1.2338 1.9799 0.5705 1.0862 1.1991 1.0000 1.3059 0.8330 1.6909 1.2450 1.1760 0.5960 0.8510 1.0903 1.0861 2.6279 1.9646 1.2147 0.7609 1.0161 0.8956 0.6644 1.0528 2.1762 1.1331 0.5188 1.4631 1.5280 1.3310 0.8446 1.3170 1.4822 0.6830 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 0.3718 0.8706 0.5013 1.0709 0.4250 0.8093 1.4246 0.6767 1.0957 0.3107 0.3077 0.3559 2.5061 0.2733 0.8358 0.6052 0.7226 0.7807 1.2859 1.0216 1.1073 0.8733 1.2273 1.7666 0.8135 0.2933 1.0498 0.3179 0.9698 2.6067 0.4788 0.4509 1.0874 1.1207 1.3583 0.7088 1.0786 1.7310 0.9323 0.5828 2.2156 0.9799 0.9494 0.8977 0.9983 0.9042 1.8749 0.4536 1.0017 1.8853 3.0185 0.8502 0.8293 1.6390 1.2300 1.1154 1.3210 1.2772 1.2206 0.9273 0.8004 1.0895 1.1959 0.4583 1.0694 0.5086 1.1856 1.8207 1.4628 1.3167 1.6464 5.4905 2.1142 2.9999 2.2054 1.3288 1.7575 0.9641 0.5858 0.5743 0.7251 0.7853 0.9774 1.2577 0.5219 0.8591 1.1332 0.9295 3.0873 5.5828 0.3107 1.1555 1.3096 1.1260 1.1701 0.6406 1.4351 1.1454 0.4257 0.9971 0.9503 0.3059 0.3234 1.0582 0.2840 1.3740 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 0.3702 1.0140 0.4875 1.3122 0.3892 1.4936 1.1026 0.5125 0.7902 0.2219 0.4725 0.3501 2.1684 0.2613 0.6987 0.7939 0.5132 0.7146 0.7657 1.1501 1.3579 1.1808 0.7284 1.7702 0.8452 0.5620 0.5558 0.5245 0.9861 2.2810 0.4831 0.8308 1.2809 1.1203 1.5034 0.7626 0.7390 1.5657 0.7799 0.2937 2.1272 0.9472 1.3984 1.0300 0.9307 0.8608 2.5209 0.5252 0.9942 1.4028 2.6854 1.4797 1.2485 2.2534 1.2773 1.1228 1.3783 1.2678 1.1604 0.9453 0.8268 1.2832 1.3428 0.8874 0.8816 1.0435 1.5818 2.1938 0.8683 1.3230 1.4160 4.8149 2.2053 2.8359 1.5508 1.3826 2.1019 1.0561 0.6164 0.7265 0.7232 1.0014 1.1451 1.2262 0.3551 0.5856 1.2718 0.9986 3.4048 4.6594 0.5565 1.1763 1.3003 0.8054 1.1264 0.6946 1.3938 0.9876 0.4999 0.8843 1.2228 0.7247 0.6334 0.9086 0.3836 0.7759 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* 0.2636 1.0859 0.3668 0.8124 0.4192 3.3907 0.8476 0.2691 1.3523 0.1838 0.2930 0.1919 0.5693 0.1544 0.6045 0.2338 0.8952 0.2404 1.2038 2.2215 0.9571 0.4303 0.5064 0.5758 0.7523 1.0554 0.5033 0.8902 0.7179 1.0804 0.9063 1.3806 2.1129 0.5711 1.9845 0.9916 0.2490 0.7745 0.9945 0.4257 2.3837 0.9386 2.7647 1.8784 0.7758 0.5809 1.8552 0.9809 1.6813 2.9342 5.0203 1.2951 1.3290 1.6519 0.9106 1.6628 1.0838 3.3890 0.9852 0.4194 1.1507 1.4762 1.4608 1.0580 0.5647 2.1830 2.3515 0.6244 0.9640 1.4007 1.3263 5.6758 1.2237 1.9884 1.2296 1.1249 1.4727 1.2530 0.8914 0.6288 0.1544 0.3576 1.0908 1.5359 0.6612 0.2866 0.9915 1.5546 3.1385 3.3708 1.0000 1.6752 1.2458 1.6244 1.6785 1.0009 1.1094 2.1662 0.6490 0.8507 0.3406 0.7225 1.2942 2.3013 0.5428 0.8131 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* 0.4080 1.2376 0.6299 0.8387 0.2732 2.5771 1.0270 0.1807 2.0439 1.0429 0.4477 0.7003 3.8753 0.1807 1.1422 1.0478 1.1277 0.1807 0.8223 0.7875 1.3159 0.1807 0.7212 1.7906 0.7674 0.4173 1.3141 0.4886 1.3122 0.9109 0.3688 0.4688 1.6351 1.3984 0.9476 0.4257 1.3497 2.0604 0.7134 0.9665 2.0965 0.6615 2.0307 1.2562 0.6485 0.2427 3.0418 0.4727 1.4313 0.7724 1.6370 0.7667 0.2354 1.2272 0.7305 1.2335 0.7988 1.1260 0.5839 0.6645 0.7422 1.2146 1.7018 1.1591 0.2815 1.7466 1.1809 0.6000 1.7492 0.7433 1.1956 4.3823 3.3540 3.7423 3.4958 1.7647 1.5025 1.0000 0.5030 0.6062 0.6787 0.3570 0.5219 1.0834 0.7041 0.8629 0.7891 0.9982 1.4489 5.9082 0.5813 1.0035 1.9432 1.4805 0.8719 1.5012 3.4389 3.5519 0.4153 0.6547 1.3720 0.6172 0.6136 1.7811 0.6162 1.9597 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* 0.2115 1.2992 0.2115 0.9140 0.2115 1.7648 0.8128 0.2115 0.2115 0.2115 0.2638 0.2115 4.8056 0.2115 0.6332 0.2115 0.2115 0.2115 0.5668 0.5551 1.4268 0.2115 0.4704 1.9871 0.8001 0.2115 0.2115 0.2115 0.9935 0.6453 0.2115 0.2115 0.8315 1.1831 0.6336 0.3078 0.9086 1.1826 0.2115 0.2115 1.0000 0.4954 1.3431 1.4385 0.2115 0.6261 2.3627 0.2115 1.4614 0.5584 1.8879 0.2115 0.5687 1.1840 1.4851 1.5502 1.2038 0.7217 0.6222 0.2115 0.2115 1.0724 1.4349 0.9824 0.2115 1.0504 2.0222 1.6604 0.6803 1.8800 1.0710 1.9885 2.4535 2.1817 1.8735 0.8715 0.3908 0.7137 0.2115 0.2115 0.6834 0.2115 0.2115 0.2790 0.2115 0.2115 0.7701 0.2115 3.0028 1.8709 0.2115 0.6842 2.0575 1.1869 0.9524 1.0575 2.1555 1.3588 0.4227 0.7623 1.4066 0.2115 0.2115 0.5531 0.2115 0.5412 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* 0.5401 1.0993 0.5010 0.8462 0.3048 1.7767 1.2752 0.6426 1.3990 0.5521 0.4521 0.6446 4.4636 0.2767 0.8738 0.9095 1.2087 0.4389 1.3598 0.7967 1.3996 0.4042 1.0716 1.0749 0.6152 0.4095 1.0812 0.4461 0.9937 1.3184 0.4240 0.5576 1.1245 0.8591 1.0999 0.3019 1.3708 1.6652 0.7230 0.9050 1.7054 0.8868 1.2680 1.1981 0.5743 0.3453 1.8047 0.4502 1.1574 1.1972 2.9474 0.3758 0.6273 0.7541 0.9789 1.3055 0.9212 1.2899 0.7802 0.4670 0.6269 1.3539 1.2613 1.0885 0.8386 2.1752 1.2610 0.9637 1.7383 1.1663 1.0063 4.6917 3.4368 2.1368 3.2775 1.1986 0.5872 1.0818 0.9866 0.8007 0.5550 0.5294 0.7010 1.0144 0.4764 1.2635 0.7784 1.0315 2.7948 3.9971 0.6945 0.8918 1.3675 1.2680 0.8172 1.0804 2.3474 2.7925 0.4087 1.3609 1.0358 0.5453 0.8490 1.9659 0.5388 2.3434 linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* 0.5116 1.4078 0.6948 0.4254 0.4515 2.6489 0.7346 0.4958 0.8578 0.8074 0.4468 0.4364 5.4630 0.4034 1.0198 1.0219 1.2313 0.3464 1.0780 0.8427 1.6220 0.4230 0.8973 2.1028 0.7726 0.4411 1.2266 0.5334 1.4303 0.7127 0.4317 0.4860 1.6288 1.2797 1.1280 0.4871 1.5788 1.7130 0.8086 0.9648 1.7001 0.5444 1.6383 1.5749 0.7882 0.5200 2.5880 0.3156 1.4622 0.5554 2.1950 0.7155 0.6499 0.9316 1.1229 1.2777 0.7515 1.4855 0.6890 0.7956 0.7042 1.3453 1.6710 1.0334 0.6173 1.8521 1.3913 1.2420 1.7570 1.0987 1.3462 2.1145 3.7631 2.5989 3.3140 1.2948 1.3353 0.9857 0.4734 0.4531 0.7832 0.5795 0.4745 0.7938 0.7429 1.2947 0.9058 1.3984 2.2902 4.5248 0.9960 0.4711 1.7741 1.5879 1.0040 1.4492 2.8032 2.8250 0.3964 0.9740 1.4567 0.3979 0.7473 2.2941 0.6262 1.8430 linoleoylcarnitine (C18:2)* 0.9303 0.4869 0.6113 0.7154 0.5949 1.5104 0.8925 0.4877 0.8846 0.2704 0.5493 1.3120 1.0519 0.7926 0.7940 0.8993 1.2891 0.4353 1.1348 1.4117 0.9776 0.5554 0.7191 0.7688 0.7002 0.2340 0.8747 0.3651 1.2717 0.9954 0.5839 0.5659 0.5618 1.7125 0.9987 0.5054 1.2084 1.0013 0.5524 0.8026 1.4453 0.3944 0.8315 0.7410 1.2598 0.4518 0.3664 0.8267 1.6029 1.0238 1.6794 1.0410 1.2776 0.9439 0.3132 0.9241 0.9674 0.8809 0.8709 0.4152 1.0475 1.5736 1.1335 1.4512 0.8663 1.6260 1.0534 1.3020 1.7089 1.2191 1.4911 1.5902 1.6843 1.1263 0.8859 1.2731 0.4488 2.0602 0.6720 1.1262 1.0675 1.7532 1.0032 0.9632 0.7581 1.0236 1.1065 0.8859 1.0882 1.6284 1.3613 1.1501 1.3158 0.8068 0.9235 1.5285 1.9108 2.0625 0.7675 1.7840 2.2730 1.1766 1.4051 1.3403 1.7040 1.6297 linoleoylcholine* 1.0825 0.8961 4.1446 5.1676 2.4876 2.1106 2.6040 5.1639 2.2061 9.2562 2.0070 0.9439 0.9313 0.1571 1.7254 0.9662 1.7016 1.8054 0.9109 0.7929 1.4352 2.7136 0.6949 1.0760 0.6123 6.1022 3.6767 3.3295 0.4055 1.2521 4.5059 1.6628 0.7804 2.9823 0.5476 0.5081 1.3699 1.1536 1.4987 0.8867 2.9523 1.4741 0.5750 0.5489 0.8957 0.4426 0.8986 2.4509 1.9896 2.1683 2.9831 0.3024 6.2321 0.9475 2.4313 0.5706 1.0095 1.0553 1.1592 1.4820 0.9463 0.4434 0.3809 0.6783 1.3719 0.6819 0.4276 0.3861 3.2255 0.1888 0.2747 1.4002 0.4561 0.7811 0.4045 1.3093 0.3680 0.9905 1.2739 0.8193 1.6502 0.8721 0.5273 0.5633 0.2283 0.7838 0.3106 0.3086 0.1142 2.0827 0.4053 0.9033 0.2044 0.4188 0.5809 0.8789 1.1555 2.0128 1.8937 1.9277 0.7895 0.9669 1.1738 1.4754 1.6481 6.7784 lithocholate sulfate (1) 0.4159 0.2542 5.0313 0.6052 1.1958 0.3426 1.9257 4.4764 0.8015 0.2950 0.4183 1.5746 3.7192 1.5072 0.3662 2.4222 0.2577 1.4217 1.4474 0.2721 1.2730 0.8136 2.1569 4.0086 4.2066 0.8578 0.2172 0.1148 0.8250 0.3386 0.9571 1.5610 2.3743 1.0000 5.0523 3.5493 1.7934 0.7293 5.8085 1.1092 0.4786 0.9753 0.9904 1.1250 0.2813 1.0553 1.6464 0.6092 0.9609 0.3999 2.2551 0.7253 0.2934 1.8943 0.9549 2.2044 4.6832 9.7770 2.5422 0.8346 0.4705 1.1690 1.5062 1.3599 2.0796 0.2914 1.9323 0.7739 0.3352 1.9611 3.3776 3.1257 1.9881 0.2894 3.1017 0.0766 0.1951 0.2971 1.3306 0.3757 0.3594 3.3330 0.9806 1.2252 0.9232 0.2464 2.4983 2.1120 0.5319 0.8304 2.6453 2.4810 0.0888 3.5289 6.0834 1.2963 13.3788 0.5071 0.1787 0.0766 2.0083 0.4980 0.5020 0.2832 0.9496 0.1748 lithocholic acid sulfate (2) 1.1522 0.4117 1.6333 0.5585 0.4117 0.4117 0.5684 3.1208 0.4117 0.4117 0.4117 4.1228 3.6894 1.7882 0.4117 0.4955 0.4117 0.7948 3.6872 3.6116 0.4117 3.6272 0.4117 2.0460 4.3009 0.4117 1.1339 0.4117 0.4117 0.4117 0.6324 2.9443 0.4117 0.8951 4.1249 0.5719 0.4148 0.4117 0.8491 0.8634 0.4117 0.4117 0.4117 0.4416 0.4117 0.4117 0.4405 0.4117 0.4586 0.4360 0.4117 0.8582 0.4117 1.2787 0.5348 0.8240 2.1718 2.6895 1.2212 0.8401 1.6757 0.4117 1.0000 0.5724 0.4117 1.7091 1.4624 0.4117 0.4117 0.4920 1.0133 1.0649 0.8950 0.4117 0.5913 0.4117 0.4117 0.4117 0.4117 0.4117 2.5910 7.1189 0.4117 0.4117 0.4117 0.4117 1.9046 1.7568 0.4117 1.6957 0.7458 0.5648 0.4117 0.7039 0.8861 0.4117 5.7403 0.4117 0.4117 0.4117 0.4430 0.4117 0.4117 0.4516 2.8530 0.4667 lysine 1.0039 1.1364 0.9463 1.0319 1.0908 1.0323 0.8307 0.9884 1.0076 1.0401 0.9175 1.0846 0.9531 0.7971 0.7643 0.7354 0.8449 1.1290 0.9853 0.8421 0.9408 0.9419 1.1796 0.8635 0.9444 0.8321 1.0141 0.9589 0.8863 1.0192 1.0001 1.1249 0.8263 0.7589 1.0791 1.0130 0.8679 0.8299 0.8413 1.1077 1.0975 0.9055 1.1073 1.1270 0.7937 1.1400 1.0397 0.7959 0.8678 0.8540 1.1958 0.5998 1.3561 0.9409 1.0865 0.9985 1.3621 0.9039 0.8810 1.0729 1.0114 1.1140 0.9834 1.2677 0.9813 0.9263 1.1077 0.8678 1.1727 0.9653 1.0776 1.3097 0.9173 0.8953 1.2337 1.0761 0.6828 1.1601 0.8805 0.8303 0.9999 1.1789 1.2118 1.2388 0.9115 0.7713 1.2414 0.8315 0.9325 0.8415 1.0155 1.2887 1.0664 0.9575 1.4357 1.1195 1.1104 1.0014 0.9817 1.1612 1.2026 0.9783 1.0525 0.9602 1.0645 1.2186 malate 0.9890 0.7546 0.6631 0.8940 1.1059 0.8025 0.9107 1.0158 0.8712 0.8723 1.0041 0.8290 1.9414 1.8494 1.8112 1.1829 0.9515 0.7568 0.8479 1.0505 0.9790 1.1947 1.0356 1.3137 1.5458 0.8486 0.6971 0.5400 1.4035 1.2048 0.8247 1.2358 1.5822 0.9858 1.0268 2.1356 0.7812 0.8336 1.1218 0.7798 0.6675 1.3842 1.0236 1.1414 2.5664 1.2059 0.8216 0.6026 0.9403 1.1538 0.8031 5.6625 0.6707 0.8900 1.6978 0.7076 0.9203 2.2437 1.6723 2.4332 0.8829 0.8462 1.0945 0.9964 0.8070 0.8882 0.9641 1.9453 1.0696 1.0673 1.4168 1.1801 2.0330 1.1693 0.9122 1.7086 1.6611 1.2447 0.8681 1.4792 0.9226 1.6272 0.9383 0.9044 1.0151 0.9879 0.7444 1.2470 0.7964 2.3259 1.6232 1.1069 0.9333 0.9279 1.0495 1.4321 0.9332 1.0579 0.7127 1.0036 0.7831 0.8679 0.9240 0.6862 1.1943 0.8060 maleate 1.5415 0.8196 2.1244 0.5605 0.8782 0.2952 0.5735 0.5355 0.3945 1.6571 4.3641 1.3569 3.1375 1.8961 12.4865 1.4666 1.3943 2.4007 1.3053 1.1154 0.6206 1.1977 1.9405 13.1116 2.0866 1.7377 1.0683 2.0799 1.1801 0.8320 0.8994 1.5753 1.8918 1.1048 0.9627 1.5198 1.0369 2.3724 5.7293 1.0567 0.2798 1.4187 1.8760 0.8267 1.6832 6.4282 1.4395 1.2001 0.5109 0.9974 0.7583 3.9041 1.5921 0.5507 1.2398 1.0355 5.5727 8.0223 3.3571 2.1196 1.4880 2.2157 0.1363 0.1363 0.7056 0.5897 1.1902 1.3186 0.3528 0.7792 0.5708 0.1898 2.0057 1.0471 0.8429 0.7169 0.7686 0.9029 0.9022 0.4513 0.5086 0.2954 0.5597 0.6319 0.3446 0.5482 0.2561 0.9998 0.4140 2.0005 1.3146 0.4941 0.4881 0.8206 0.3421 0.4359 0.1363 0.2913 0.2296 0.2162 0.2261 0.4935 0.3552 0.4546 0.8655 1.0002 malonate 1.6832 0.7790 1.4758 0.6942 0.9582 0.9264 0.8028 0.9715 0.7429 0.8960 0.8853 0.9072 1.1904 0.9908 1.3564 1.1082 0.9607 0.9430 1.1117 1.1898 0.8827 1.1420 0.9523 1.3203 1.2704 1.6701 0.8422 1.0896 1.7314 1.0506 1.3462 1.1327 1.3143 0.9885 0.9245 1.1419 1.4702 0.9503 1.1926 1.1945 0.8888 1.3947 0.8858 0.9617 1.2843 0.9815 1.1223 1.1264 0.7749 0.9411 0.6646 1.3899 0.7199 1.1132 1.0072 0.8915 0.8855 1.1441 1.4028 1.2870 0.9180 0.9693 0.7205 0.6637 1.0731 0.8343 1.0859 1.3710 0.9127 0.8931 0.9619 0.8517 1.2733 1.1403 1.4405 1.2176 1.1127 1.1821 1.4144 0.9570 0.8544 0.8606 1.2610 0.9314 1.1038 1.5506 0.8898 1.5840 0.8056 1.2489 1.3291 0.8294 0.7222 0.9928 0.8135 1.0335 0.7050 1.0799 0.6570 0.7062 0.6926 1.0406 1.3212 1.0332 1.7810 0.8732 malonylcarnitine 0.8786 0.2739 0.2739 0.2739 0.2739 0.8670 0.6249 0.8070 0.9195 0.2739 0.7058 1.0953 1.1544 1.1474 0.7656 0.2739 1.4563 0.6917 0.2739 0.2739 0.2739 0.7549 0.8580 0.2739 0.2739 0.7432 0.8750 0.2739 0.6671 1.0263 0.2739 0.4538 0.7218 2.1546 1.2578 0.2739 0.2739 0.8934 0.2739 0.2739 0.2739 0.2739 0.7632 1.0662 2.0194 1.3986 0.2739 1.0572 1.2361 1.3544 0.2739 0.2739 0.2739 0.6723 0.2739 0.8593 0.2739 0.2739 1.1971 1.0064 1.2237 0.2739 0.2739 0.2739 0.2739 0.2739 0.2739 0.2739 1.0537 1.9948 1.5497 1.0633 1.5351 0.2739 0.6178 0.2739 1.5403 0.2739 0.5888 0.2739 0.2739 1.1546 0.2739 0.8946 0.2739 0.2739 1.0273 1.6992 1.1797 1.3565 1.3783 1.0372 0.9936 0.2739 1.0828 0.2739 0.6713 0.8904 0.2739 0.7022 0.2739 0.7823 0.9034 0.7616 1.1984 0.8131 maltose 1.6967 0.6191 0.3365 1.0463 0.9267 0.8013 0.6679 0.6638 0.7499 0.8611 0.3554 0.7953 1.7171 1.3819 0.9146 1.4266 0.9137 0.6420 1.0078 0.3684 0.5585 0.5271 0.7440 1.3656 0.8494 1.1967 0.5439 0.2976 2.0043 0.2387 0.4826 0.6744 2.1360 1.0000 0.7226 0.4465 1.2423 1.2324 0.6394 0.5145 0.3161 0.9475 0.4823 0.6028 0.8399 0.8688 0.5037 0.5177 1.1094 0.9695 0.5288 0.2956 0.4315 0.4780 0.2387 0.6008 0.3716 0.5789 1.0200 0.6451 0.5475 0.2561 2.0779 1.6673 2.4614 1.3275 1.4220 3.6764 2.6943 1.0883 1.1181 1.6857 1.9492 1.3652 2.0840 2.7330 1.3161 0.8853 2.8139 0.8512 0.8845 2.5296 1.9593 2.7621 2.2195 1.9030 1.7582 2.6744 3.2312 3.9792 2.5171 2.1705 1.9347 2.1403 1.8274 0.9049 1.1285 2.9204 1.0379 0.8048 0.5885 1.5700 2.6279 2.2445 3.3504 1.7980 maltotriose 1.6762 0.2776 0.2108 0.4737 0.8401 0.5169 0.8917 0.9093 0.7525 0.6775 0.0632 0.6198 1.4007 3.0634 0.6735 2.0744 0.7025 0.3632 0.6672 0.7661 0.7761 0.9293 0.5798 0.8199 0.8276 1.3197 0.6258 0.4084 1.4198 0.5726 0.3501 0.8069 0.9828 0.7859 0.4675 0.9352 1.0634 1.2578 0.3864 0.6189 0.4771 0.9635 1.2501 0.4800 1.3992 0.4719 0.3795 0.2971 1.0161 0.7978 0.5548 0.4802 0.7400 0.7814 0.8058 0.6880 0.7933 1.0177 0.9839 0.6837 1.0286 0.2084 2.0087 1.6534 1.7786 1.3446 1.8760 3.9499 3.8728 0.6253 0.8983 1.4338 1.8324 1.2824 2.3250 2.4010 0.8785 1.2074 2.2410 2.6009 1.8543 3.3123 2.0378 2.5773 2.5560 1.9509 3.7585 3.3314 4.2244 2.2675 2.2369 2.0453 1.5591 1.6235 1.7788 1.3236 1.0297 2.2965 1.7856 1.2561 0.4549 2.5969 2.6397 2.5505 2.4654 1.9197 mannitol/sorbitol 2.4666 5.2109 1.8353 1.4758 1.2516 0.5726 0.2648 0.5335 1.0278 0.4700 6.1537 0.7753 18.5672 1.9010 0.6077 1.1061 0.9895 2.5759 1.2085 0.6131 0.5446 0.6440 1.3204 2.5458 0.8320 2.4579 0.6808 1.4777 1.4294 1.5646 0.9184 0.5495 5.3395 9.4649 1.3762 2.9582 1.6715 1.2623 2.5582 0.3428 2.4072 0.9439 0.6150 0.4310 1.0622 1.3944 1.8364 1.0105 0.6199 0.4064 0.7355 3.5186 0.9300 3.8920 1.2081 2.4499 0.3863 0.6480 15.9648 7.0616 1.0919 0.6877 0.6079 0.7214 6.3328 5.9131 1.2845 1.5930 0.6263 0.8685 0.8304 5.1718 1.6970 1.2215 0.5920 3.8088 0.7672 0.6796 5.6567 0.4061 0.5586 0.5428 1.8857 2.5525 0.6482 0.5227 0.5532 0.7222 0.5049 1.7905 1.4104 0.7680 0.3652 0.7840 0.5190 0.8176 0.9128 2.5412 0.6462 0.4854 0.4034 0.6035 0.6711 0.5706 2.7911 7.1896 mannonate* 1.2765 1.3465 1.0333 0.8502 1.4180 1.0275 0.7215 1.3426 0.6973 0.9165 1.0218 0.9570 3.2721 0.9514 0.9265 1.1929 1.3179 0.8010 0.9983 0.6308 0.6460 0.8373 1.0174 1.0017 0.9648 1.5673 0.7225 0.8190 0.3458 0.8464 0.5060 0.9010 1.1180 1.1734 0.8262 1.1319 0.7650 0.8106 1.0900 0.8242 0.4722 1.4028 0.9428 0.8293 1.3916 1.3474 1.2971 1.1177 0.6816 1.2405 0.7154 0.9071 0.7221 1.3386 1.6818 0.8386 0.6926 1.3081 1.0660 0.9938 0.5514 1.3231 1.5763 0.7998 1.2294 0.8018 1.0939 1.0981 1.5291 1.3738 1.1167 1.1111 1.3749 1.0055 1.2525 1.0273 1.0435 1.0082 0.8087 0.6716 0.8403 1.2285 1.1025 1.1609 1.1456 0.9238 0.9450 1.0391 0.8888 2.3935 1.9587 1.3469 0.9659 1.3100 0.8461 0.8700 1.2774 0.5699 0.5931 0.5104 0.5922 0.4009 0.6500 0.9404 1.1344 0.7108 mannose 1.1505 1.1259 0.9146 1.1070 1.7288 0.8772 0.4582 1.0570 0.4649 0.6759 1.5615 0.8957 2.7407 0.7136 0.5895 0.7519 0.7715 0.7889 1.0351 0.8001 0.6779 1.0299 0.7768 0.9106 1.0046 1.2064 0.5433 1.0887 1.2207 0.6401 0.5460 0.9956 1.1701 0.5072 0.8413 1.4862 1.0516 0.8216 0.8873 0.9121 0.4212 1.2283 1.1235 0.9531 0.9622 1.6033 1.1683 1.1507 0.5868 0.5381 0.8249 0.9115 0.7740 1.0184 0.9434 0.7008 0.7709 1.0663 0.7239 0.9522 0.6469 1.4777 1.2744 1.0224 1.1538 1.0329 1.1587 0.8619 1.0602 0.8269 1.2179 0.9360 1.0911 1.7740 1.6115 0.7465 1.1774 0.8985 1.2539 0.9759 0.9269 1.5665 1.4494 0.8255 1.3502 1.4003 1.5736 1.3017 1.0792 1.1574 1.1946 1.2480 1.2627 1.7867 1.3913 1.0044 1.3719 0.5861 0.6456 0.8657 0.6774 0.7148 0.5915 1.0243 1.0164 0.5169 margarate (17:0) 0.7294 0.7216 0.7458 0.3139 1.7430 1.1343 0.9911 0.2708 0.9963 0.3928 0.9456 1.3582 1.0726 0.7489 2.1955 1.1002 1.0982 0.5417 0.6018 0.4832 0.5543 0.3437 1.3531 1.0369 1.0270 0.7069 0.8238 0.7380 1.1258 1.3796 1.1129 0.6931 0.7081 0.6958 0.6135 0.9124 0.9546 0.6292 0.9261 1.3319 1.0542 0.6287 0.7778 1.1139 1.2877 0.9385 1.0694 0.6114 1.3554 0.6740 0.9593 1.6996 0.6229 1.2679 0.4920 0.9048 1.2603 0.9299 0.7111 1.2511 0.8551 1.0037 1.5205 1.5088 0.6795 1.1359 1.0300 0.9613 0.8387 1.0919 1.1434 3.1928 1.8025 0.9562 1.7978 1.3059 1.9027 1.9479 1.5760 1.0465 0.7562 2.0775 1.4167 1.6823 0.9756 0.8433 1.1711 1.3026 4.0433 2.4118 1.2256 1.1306 1.2559 1.0626 0.6360 1.4326 1.6032 0.7320 0.4740 0.8327 1.8157 0.8975 0.9514 1.4457 0.8674 0.5792 margaroylcarnitine (C17)* 1.0041 0.5606 0.6825 0.2931 0.6062 1.7187 0.5265 0.2372 1.1784 0.2719 0.4362 0.7613 1.1339 0.8388 0.9081 0.7195 0.9343 0.4175 0.3832 1.0494 0.7466 0.8304 0.5514 1.1420 0.9836 0.4652 1.1242 0.4410 1.4821 0.9499 0.5071 0.4734 0.7335 0.8126 1.0841 0.7063 0.8461 1.2796 0.8003 1.0657 0.8886 0.7317 0.9959 1.3289 1.6469 0.5708 0.5761 0.8558 2.1530 0.9137 1.0847 0.6042 1.9480 1.2337 0.3957 0.7344 1.0317 1.4554 0.4414 1.0463 1.1088 0.9726 1.6926 1.1546 0.4485 1.1058 1.0389 1.0991 1.2399 0.9499 1.0392 1.2162 2.1192 1.0173 0.8318 1.6768 0.4769 1.7123 0.6437 1.2968 1.3521 1.7694 1.4531 1.2659 0.6418 1.3861 1.3394 0.6964 1.4555 1.6891 1.1600 1.1748 0.7848 0.5922 1.0546 1.2496 1.7067 1.8431 0.8370 0.6596 1.7433 0.9386 1.7384 1.8892 1.6765 1.8394 metabolonic lactone sulfate 0.7520 0.1695 0.6597 0.9904 1.6216 2.6032 0.7707 0.4821 0.4509 0.4199 0.5462 1.8315 1.7441 0.1267 3.0062 2.5731 0.6919 0.6840 1.5903 0.9005 0.5954 0.5214 0.4325 1.0151 0.8631 1.8248 0.6210 0.5377 0.2206 0.3266 0.5966 4.1774 2.0068 1.5047 1.4339 2.3083 2.1152 0.4633 1.0364 0.7031 1.0721 0.6924 0.8892 1.0972 0.4273 1.8573 2.1935 1.6873 0.2787 1.0096 3.2779 1.3292 0.3820 1.9586 1.5284 1.1179 0.8444 0.7594 0.6355 0.4305 0.9295 0.6620 0.7180 0.9135 1.4487 1.2327 1.2119 1.7695 1.9143 0.9014 1.2474 1.2158 4.1359 1.0178 1.0244 0.4641 1.6322 0.8175 1.0318 0.6219 1.5253 0.9273 0.9785 2.2566 1.9327 0.3573 4.8579 2.5309 0.6341 0.9500 2.4296 2.1069 1.8472 2.2426 0.8045 0.8057 2.7598 1.2494 0.9155 0.5358 1.3859 1.7408 1.2509 0.9560 0.9859 0.5095 metformin 0.0001 0.0001 1.4918 0.3260 0.0001 1.1990 1.0306 1.0000 1.0501 0.0001 1.4780 0.0001 1.9786 1.8083 1.2621 1.0261 1.1128 0.0001 1.0300 0.0001 1.6462 0.0001 1.0937 1.5700 1.3814 1.1367 0.0002 0.0001 0.0001 0.9345 0.9168 0.0001 1.1305 0.0001 1.3480 1.3855 0.8681 0.0007 1.2350 0.5340 0.0001 1.9092 0.5059 1.4041 1.4630 1.0353 1.1788 0.0001 0.0001 1.0656 0.0450 2.3428 0.0001 0.0001 1.8328 0.8246 1.6883 1.8408 1.3721 1.7686 0.0001 0.5696 0.2224 0.5557 0.9757 0.2444 0.0585 2.2250 0.4903 0.9478 0.7955 0.0001 1.1684 0.0001 0.5105 1.1253 0.0355 0.9626 0.7349 0.0001 0.0001 0.1941 0.2409 0.8778 0.3949 0.0001 0.0851 0.2907 0.1737 1.5795 0.5075 0.5389 1.4901 0.5098 0.5192 0.0001 0.0008 0.0001 0.0004 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 methionine 1.0097 1.1030 0.8862 0.8848 1.0348 0.8626 0.7567 0.7100 1.0009 0.9549 0.9329 0.8097 0.8776 0.8905 0.9436 0.8052 0.7734 0.9991 1.1012 1.0285 0.9682 0.9929 1.0595 0.7930 1.0903 0.9163 1.0383 1.0124 1.0076 0.9478 1.0489 1.0202 0.7849 0.7324 1.1069 1.0405 0.9079 0.6742 0.8501 1.0693 0.8392 0.7778 1.2010 1.2599 0.9313 1.3095 0.8925 0.8065 0.9002 0.6796 1.1653 1.4233 0.8680 0.9818 0.9059 1.0942 0.9123 0.9439 1.0308 1.3987 1.0867 1.0689 0.9244 1.1345 0.8696 1.2125 1.0994 0.8606 1.0520 0.9368 1.2303 1.2315 1.0351 0.8352 1.1434 1.2196 0.6450 1.1585 1.0148 0.9230 0.9983 1.0400 1.0849 1.0312 0.9570 0.7537 1.0954 0.8311 1.1394 0.8063 0.9712 1.1823 1.0760 0.9521 1.4858 1.0664 1.2111 0.8937 1.0057 1.3839 0.9722 1.0092 1.1261 0.8098 1.1575 1.2765 methionine sulfone 1.9786 4.6608 0.8885 0.9162 0.6575 0.6164 1.5235 0.7118 1.6871 1.1044 1.3722 0.9861 0.9832 0.7034 1.5858 1.1250 1.6755 1.0122 0.9864 0.9968 0.9223 0.7231 1.0426 1.9095 1.0437 1.2191 1.1219 0.6176 1.6594 0.9632 0.8486 0.6819 0.7730 2.1185 1.0410 0.5711 1.6146 1.1739 1.9604 0.6254 0.5641 0.6616 0.6563 1.1665 1.5569 0.8008 0.6837 2.0934 0.6471 1.1533 0.6630 1.5693 1.8351 0.8118 1.5368 1.0032 0.7593 1.5588 0.9888 1.1184 0.8250 1.2097 0.9021 0.5528 0.8803 1.4574 2.0119 3.0049 1.9939 1.3711 0.8073 1.2069 1.5911 0.7873 0.5768 3.4989 0.7451 2.7473 1.4666 0.6484 0.8085 0.9251 1.5892 1.5877 0.6897 0.9760 0.4919 0.5520 1.3080 3.4935 1.9876 1.5187 0.6746 0.7752 0.7888 0.8501 0.8914 1.4976 0.8869 1.2291 1.5117 0.4440 0.8261 0.6598 1.0701 1.1349 methionine sulfoxide 1.1708 1.3664 1.0277 0.9970 0.8610 0.9337 0.9368 0.8430 0.8477 1.0384 0.9956 0.7032 1.7033 0.8939 1.0035 0.6676 0.8069 1.2466 1.6936 1.0167 1.0884 0.9146 1.0982 1.1991 0.9671 1.0164 1.2432 0.9156 1.2769 1.2822 1.0299 1.0798 1.0318 0.8800 1.1838 0.8873 0.9568 0.7380 1.5014 0.8379 0.8426 0.8239 1.3125 0.8605 1.1056 1.6611 0.9194 0.9673 0.8559 0.8212 0.9282 1.9704 0.7270 1.1952 1.2277 1.2599 0.7198 1.3118 0.9900 1.2463 1.1955 0.9419 1.1945 0.8768 0.9441 1.1907 1.0030 1.0154 0.9425 0.9160 1.1104 1.2020 1.2754 1.5600 0.8090 1.2568 0.7235 1.2645 1.2630 0.7915 0.7812 0.9366 1.1359 1.2182 1.1729 0.7114 0.8417 0.6335 1.0347 1.6716 0.9498 1.2948 1.0286 1.1891 1.2533 0.8879 1.2069 0.7310 0.8699 0.8279 0.9402 0.7612 0.9550 0.9311 1.0758 0.9439 methyl glucopyranoside (alpha + beta) 1.5441 1.1739 0.7043 0.0758 0.4894 0.2384 1.2928 0.3386 0.5512 3.8439 0.3812 0.9974 0.0758 0.0758 0.0758 0.3927 0.7798 1.2303 0.0758 1.5508 0.4599 0.7535 0.2184 0.6077 0.6747 1.2382 2.8034 0.8119 1.1174 1.4591 1.8959 1.4409 0.4047 2.0864 0.3316 0.0758 3.3208 0.8183 1.1487 0.4709 2.9590 0.6567 0.4471 0.6932 0.6426 1.0186 0.0758 1.5151 0.5369 3.3798 0.7860 0.8846 0.7595 0.0758 2.0166 0.5261 0.5308 1.4428 2.4169 3.4775 0.8279 0.6941 0.3525 0.0758 0.7860 2.7024 1.2581 1.1017 29.4428 1.2426 0.7287 2.3207 1.4019 0.0758 0.0758 0.6477 0.5758 5.0428 0.9398 0.7088 0.5828 0.2122 3.7940 0.5166 0.0758 1.0026 1.0471 0.4042 4.4819 1.5568 1.0955 1.2723 4.0894 0.2891 0.0758 1.5013 0.2785 2.4605 9.2564 1.5324 1.1903 0.2481 1.2018 2.4593 1.6839 0.8224 methyl indole-3-acetate 0.8474 2.1131 1.1014 0.6353 1.7647 0.4241 0.7465 0.7883 1.8361 0.6985 1.3430 3.1174 2.7966 0.4578 4.0188 1.4089 0.5378 1.6854 1.3744 0.7618 1.2141 1.5676 5.9622 1.4887 0.6500 1.8047 1.7386 1.5006 2.5253 0.7934 0.9538 0.8981 1.1861 2.2257 1.7184 0.7959 1.1665 0.8159 1.3701 0.6265 0.5830 1.3695 0.9708 0.4680 2.3557 1.0286 0.5643 1.2867 0.4044 0.6396 0.3312 1.3565 2.4023 0.6317 0.7424 0.9277 0.7934 1.5556 2.5357 1.3201 0.3621 1.5019 0.6509 0.6376 1.5775 1.7003 1.0898 0.9644 1.4463 1.9786 2.6104 1.3919 1.1292 0.4948 0.3670 0.9714 0.5455 0.9064 0.6879 0.6325 0.3600 0.6594 1.4762 0.8713 1.0571 0.5986 0.2434 0.2426 0.2399 1.1217 1.1994 3.4270 0.3264 0.2689 1.1008 0.4637 8.3346 0.3019 1.6265 0.5495 0.6699 0.7595 1.4519 2.3555 2.6749 0.7933 methyl-4-hydroxybenzoate sulfate 0.5241 0.5328 0.5035 0.3033 6.8409 0.1518 1.8925 0.1518 0.8775 0.2589 0.6119 0.3204 0.1832 0.3991 0.3506 1.2720 2.3878 6.3776 46.1680 2.1833 0.1518 0.3964 7.0763 1.3714 0.1518 5.8663 0.8442 0.4701 9.9956 1.0090 5.8728 3.0492 0.2486 74.3460 1.1705 0.9529 0.1518 0.4257 5.0681 0.1518 1.8760 0.9077 0.3009 0.3160 0.5661 0.9571 0.4446 0.3098 2.3533 0.9189 0.9848 0.1518 2.5076 14.2424 0.1518 0.4454 7.4441 11.2922 0.3475 6.7359 1.1307 0.8174 30.7990 0.2748 23.9255 1.6720 13.5891 28.6807 0.4330 16.1024 0.2448 0.7161 2.5641 0.1518 0.1518 158.2013 0.9910 0.6130 0.1518 3.7272 0.2063 0.1518 165.2467 30.0933 0.3409 3.8737 0.4852 0.1518 0.3772 8.5000 1.1689 2.3960 1.0398 0.1518 0.3953 109.3202 0.2865 16.2496 1.2269 0.5346 0.1518 0.1518 6.3065 0.1518 0.5345 0.3555 methylmalonate (MMA) 1.3568 1.8725 0.7668 0.7379 0.6966 0.7393 0.6251 2.0170 0.9495 3.5442 0.6550 0.6839 2.0227 0.9248 0.6577 1.0759 1.1672 1.5486 1.1848 0.8303 0.7517 0.7420 1.1249 1.1150 1.3734 1.1347 0.8805 0.8928 2.5451 1.0343 1.9462 1.0448 1.0161 1.4754 16.2509 0.6388 1.5076 0.9460 1.7787 0.6885 0.5825 1.1443 1.0420 1.0071 2.0412 1.5073 0.9845 0.8032 0.7618 1.6019 1.0081 1.4143 0.7264 0.8073 1.2084 0.5096 1.3111 1.6306 2.2719 3.6815 0.7621 1.2361 0.9944 0.9214 1.4707 0.7488 1.0515 0.7281 1.0481 1.1826 2.0804 0.7350 1.1719 0.6240 0.9088 1.2038 0.5680 0.9488 0.7239 0.6555 1.0056 0.8452 1.1968 1.4363 0.7564 0.8387 0.7763 1.1225 0.6628 0.9865 2.3920 2.5237 0.8419 0.6787 0.7438 0.8543 0.8814 0.7895 0.6701 0.7142 0.7613 0.6642 1.0349 1.5442 1.4954 1.0912 methylsuccinate 1.3530 1.0815 1.6359 1.0604 0.9277 0.9503 1.2240 0.7823 0.6364 1.0636 1.6738 1.1585 1.5668 1.0805 1.0344 0.8764 1.0396 1.4727 1.1827 1.3352 0.9483 0.9036 1.1081 1.6294 0.9880 1.8388 0.9033 1.1259 0.9018 0.7904 1.2649 0.9816 1.0547 1.4814 0.7187 1.0943 1.0367 1.3629 1.0727 0.7095 0.7982 0.8161 1.2420 1.0140 0.8136 1.2966 0.8215 1.0327 0.7092 0.6369 0.6582 1.1777 0.8020 1.2045 0.9995 0.7710 0.7301 1.2148 1.7621 1.3389 0.9467 1.0119 0.7572 0.6701 1.3357 0.8966 1.1851 0.9295 0.9396 0.8914 1.1623 1.8920 1.6627 1.2593 1.2385 0.9280 0.7344 1.2687 1.1579 0.9049 0.7452 0.8552 0.9981 0.8758 0.9121 1.1802 0.8164 1.1188 0.5024 1.3648 0.8645 1.0005 0.7406 0.9707 1.0242 1.0293 0.7192 0.6930 0.7869 1.0802 0.6239 0.8025 0.9812 0.5576 1.9268 0.9316 metoprolol 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 1.1013 1.2136 0.1528 0.1528 0.1528 0.1528 7.0435 0.1528 0.1528 0.1528 0.1528 0.1528 0.6290 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 2.2176 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 8.3345 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1701 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.5781 3.0286 0.3805 0.1528 0.8987 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 metoprolol acid metabolite* 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 3.9871 2.4672 0.0145 0.0145 0.0145 0.0145 3.7958 0.0145 0.0145 0.0145 0.0145 0.0145 2.1182 0.0421 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0346 0.0145 0.0145 0.0145 0.9637 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 3.8419 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0422 0.0145 0.0145 1.0000 0.0869 0.0145 0.3986 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 1.7447 2.8005 0.2251 0.0145 1.2421 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 0.0145 myo-inositol 1.8444 2.2639 1.3037 1.1533 0.8880 0.6420 0.9427 0.9248 0.7971 1.0726 1.6628 0.8571 2.1412 0.7337 0.7610 1.0245 1.0392 1.0593 1.0849 1.0286 0.7875 1.2207 0.8699 1.2145 0.8471 2.2908 0.9972 1.1167 1.9093 0.8367 1.1617 1.0633 0.9636 1.7867 0.7461 0.7672 1.1066 1.3793 1.1768 0.9780 0.7862 1.2847 0.7735 1.0028 0.7815 0.9831 1.2192 1.2808 0.6801 1.3472 0.7547 2.4585 0.7025 0.9600 1.0967 0.6990 0.5897 1.2216 1.0090 1.1843 0.9738 0.8949 0.7425 0.7757 0.7962 1.0076 1.3314 0.9392 1.5358 1.0906 1.1213 1.1138 1.9681 0.6028 1.0120 1.7598 0.9310 1.1136 1.1391 0.6557 0.8427 1.0415 1.2560 1.2304 0.7258 0.7148 1.0874 0.7784 1.3084 1.6252 2.8086 0.9711 0.8384 0.6739 0.6496 0.8044 0.7088 0.8766 0.8096 0.8639 0.9590 0.6109 0.9341 1.5569 2.3098 0.9399 myristate (14:0) 1.0229 0.7912 0.9916 0.4236 2.6847 1.2206 0.7666 0.1801 1.3139 0.3543 1.0827 1.2522 0.8711 0.9981 2.4123 1.5039 1.5414 0.5861 0.4743 0.7041 0.6373 0.3607 1.4698 0.9701 0.6602 1.0703 0.9371 0.9994 1.4583 1.8500 1.1626 0.8548 0.8458 0.7926 0.6242 1.0208 1.0805 0.6666 0.9294 1.4035 0.7952 0.6136 1.0130 1.5954 1.4111 0.8160 1.2616 0.7673 1.6646 0.6258 0.9953 3.2029 0.6754 1.2710 0.3843 1.0252 1.1994 0.9638 0.9863 1.9549 0.8087 0.7572 2.1137 1.1049 0.5640 0.8632 0.9322 0.5585 0.7663 0.8780 1.0006 3.8252 2.0442 0.8397 1.6122 1.2239 1.5995 1.1850 1.4549 1.9959 0.7027 2.1089 1.8241 1.4475 0.7288 0.6518 1.0579 1.3888 3.7179 2.1088 1.8676 1.1857 0.8952 0.8994 0.9038 1.8531 1.9961 0.7714 0.3782 0.8528 1.1113 0.9763 1.0074 1.2708 1.0695 0.5689 myristoleate (14:1n5) 1.0848 0.8155 0.8326 0.1381 3.1634 0.7951 1.3503 0.0827 1.0794 0.2205 1.0362 1.1973 0.5557 1.2767 1.8034 1.5440 1.7034 0.5279 0.4489 0.8121 0.5760 0.3223 1.7878 0.8916 0.5299 1.4993 0.7810 0.9628 1.7684 2.2689 1.5674 0.8146 0.6086 0.5532 0.5441 0.8326 1.3479 0.5974 0.7215 1.2781 0.8402 0.5579 0.9063 1.4355 1.8205 0.7111 1.1108 0.9216 1.3425 0.6163 1.1698 4.3377 1.0595 1.1938 0.2791 0.7166 1.4155 0.5825 0.7675 1.7280 0.8356 0.9426 1.5053 0.9892 0.5000 0.6921 1.1687 0.7447 1.3024 0.9483 0.7788 2.3660 1.9228 0.5823 1.2216 1.1665 0.8771 1.4453 1.4334 3.4220 0.4763 3.0554 1.8012 1.4401 0.5880 0.6906 1.4050 1.5038 1.8406 1.1644 2.2459 1.1633 1.0108 0.8880 0.8563 2.3050 1.8204 1.2115 0.3823 0.8925 0.8383 1.2539 0.8508 1.1625 1.3248 0.8266 myristoleoylcarnitine (C14:1)* 0.8198 0.4499 0.7682 0.1146 0.7873 0.9167 0.9871 0.1170 0.9521 0.0708 0.4297 0.8662 0.6606 0.9947 0.7692 1.5037 1.3258 0.2625 0.5892 0.9244 1.2834 0.3811 0.4724 0.4149 0.7222 0.3139 0.3060 0.6238 1.8196 1.8348 0.6868 0.5155 0.5800 1.2271 0.8099 0.8920 1.1234 1.6638 0.6498 0.6614 1.5275 0.4766 0.6793 1.2698 3.1661 0.6049 0.1518 1.0370 1.8286 0.8214 2.4556 2.1721 1.1561 1.3213 0.2275 0.6405 0.7507 1.5245 0.7583 0.7419 1.7616 1.4415 1.4504 1.4483 0.5126 1.5455 1.0786 1.9647 1.3033 1.4834 1.4793 1.9263 2.8981 0.8951 0.9430 1.1770 0.3541 2.9031 1.2894 1.3948 0.5340 3.6596 1.0915 1.2479 0.6572 1.2147 1.5696 2.0174 1.3914 0.9214 2.3375 1.1157 0.9848 0.7425 1.0053 1.6461 1.3386 2.6880 0.2186 0.8193 2.4762 1.2357 1.5135 1.8670 2.8641 1.4786 myristoyl dihydrosphingomyelin (d18:0/14:0)* 0.9901 1.0099 0.8886 1.3228 1.1486 0.7226 0.9797 0.5852 0.9452 1.3930 1.1659 0.8009 1.1026 0.7590 1.0886 1.2526 1.1900 0.9685 0.5255 1.0288 0.6238 0.9336 0.7862 1.3516 0.5503 0.8910 1.0587 0.6480 1.6863 0.7633 1.2348 1.2626 1.2048 0.8045 0.4775 1.0678 0.9318 1.4020 1.0473 0.5737 0.8927 1.2566 1.2875 0.8092 0.8241 0.8070 1.2894 1.5290 0.9691 0.6457 1.4006 0.9079 1.1495 1.2595 0.7354 0.5984 0.8170 0.7568 1.2504 1.6043 1.2881 0.8218 1.2213 0.8997 1.0937 0.8669 0.8961 0.7451 1.0971 0.4893 0.5502 1.1253 1.7291 1.1596 0.6014 1.4748 0.6697 0.6779 0.6900 1.5584 1.0251 1.0813 1.9081 1.1744 0.8169 1.0246 1.2187 0.6190 0.4938 1.4788 0.9758 0.8408 0.4719 0.5096 1.3125 0.9402 0.8890 1.5783 1.3072 1.5099 0.8853 1.2822 1.7088 1.4118 1.2135 1.7244 myristoyl-linoleoyl-glycerol (14:0/18:2) [1]* 0.5394 0.8337 0.1472 1.0845 1.0344 3.3418 0.5295 0.1472 2.9487 0.4522 0.1472 0.1472 5.4810 0.1472 1.6193 0.5853 0.5817 0.9208 0.3432 0.6247 0.6099 0.7215 0.8545 4.0334 0.1472 1.1729 3.4734 0.3709 0.7863 1.6445 0.1472 0.9672 1.2030 1.3382 1.1041 0.3920 1.8364 0.9973 0.4482 0.5720 0.7154 1.0346 1.7744 1.4769 0.1472 0.1472 3.6232 0.2729 1.2856 0.7704 2.7344 0.1472 0.8753 1.0442 1.2442 1.2564 0.1472 2.9526 0.2648 2.0564 0.4952 0.5969 3.1648 0.8588 0.1472 0.7649 1.2521 0.4215 0.6544 2.7182 0.7365 5.4340 2.6484 0.7716 2.5533 0.8041 5.8123 0.1472 0.4326 0.4006 1.5120 0.1472 1.3922 1.0685 0.2335 0.3515 0.8241 0.1472 1.2862 6.8195 0.1472 1.3537 0.5033 1.0929 1.1978 1.7628 3.5063 1.0794 0.7018 0.5408 0.2680 1.1134 0.5537 1.0027 0.1472 0.6403 myristoyl-linoleoyl-glycerol (14:0/18:2) [2]* 0.6266 0.8633 0.3282 1.4971 0.9938 3.6206 0.5895 0.2370 2.8547 0.4544 0.2370 0.2370 5.7231 0.2370 1.5001 0.6388 0.3692 0.7828 0.3193 0.5378 0.4372 1.0288 0.9473 3.9996 0.2370 1.0910 2.7865 0.2855 0.5666 1.8220 0.2370 0.9081 1.4236 1.4262 0.8414 0.5241 2.0643 1.2447 0.3793 0.4470 0.6567 1.0000 1.7182 1.1326 3.1408 0.2370 3.7144 0.2370 1.5196 0.6909 2.4407 1.1192 1.0954 1.1592 1.3490 1.5278 0.3241 2.6445 0.4621 2.1389 0.3427 0.6126 3.5070 0.8421 0.2370 0.6327 1.8907 0.7752 0.8171 2.8811 0.6159 6.5340 2.8719 0.8949 2.2727 1.2466 4.8080 0.2370 0.2425 0.6663 1.6596 0.2370 1.6275 1.2391 0.2720 0.4145 0.8946 0.3772 1.9376 6.9119 0.2370 0.6786 0.4643 0.9683 1.0967 1.7686 3.0518 1.1217 0.9924 0.3919 0.2370 0.8765 0.3818 1.1229 0.2370 1.1880 myristoylcarnitine (C14) 1.1405 0.5448 0.7108 0.1927 0.7173 1.3828 0.5178 0.1672 1.0193 0.1276 0.4203 0.8044 1.0280 1.1169 0.8988 1.2661 1.0253 0.3691 0.4874 1.0973 0.8941 0.4677 0.4638 0.9149 0.7535 0.3024 0.9707 0.4585 1.6485 1.3201 0.4143 0.6223 0.9615 1.1550 1.1930 0.8902 0.7866 1.3314 0.6706 0.7487 1.0184 0.5269 0.9063 1.2998 2.2912 0.7835 0.3239 0.9968 1.7920 0.5926 1.6253 1.3232 1.3411 1.5429 0.2470 0.6998 0.6619 1.9136 0.7605 0.9021 1.4572 1.1469 1.6444 1.1697 0.3657 1.0289 0.9863 1.2394 0.9919 1.1053 1.3202 1.9834 2.6312 0.7849 0.7335 1.5917 0.4745 2.1466 0.9489 0.9929 0.9722 2.1106 1.2714 1.1549 0.5924 1.0735 1.2351 1.3262 1.1070 1.2294 1.6580 1.4195 0.7303 0.5990 1.0032 1.4690 1.5437 1.8121 0.4330 0.6260 1.8135 0.9607 1.5091 1.7734 1.9530 1.5987 N,N,N-trimethyl-5-aminovalerate 0.9405 5.5206 0.8581 0.8466 0.4818 1.0914 0.8410 1.2959 1.1216 0.4366 1.0852 0.8409 1.7194 0.8167 1.6411 0.4151 2.9090 2.4708 0.9527 0.6578 0.6832 1.0022 1.2560 0.9130 1.5731 1.2400 0.6023 0.4433 1.1757 1.2132 0.8262 1.2705 0.8402 0.7352 0.8187 0.6258 1.2813 0.8604 0.7857 0.9529 0.6875 1.0118 1.2253 0.9978 1.1390 1.0987 0.5888 0.6860 1.2140 1.1576 1.1390 1.9873 0.8426 0.3434 1.0122 0.5876 0.5035 2.3095 0.8831 1.3613 0.4749 0.7522 0.9198 0.8775 1.5205 1.5491 1.3011 2.8874 1.1975 0.9772 1.5324 1.0273 2.1543 1.1132 0.6296 1.9806 2.4592 0.6590 1.9375 1.8995 0.4050 1.4456 1.3880 3.2139 0.4424 0.8167 1.3136 0.8316 0.9340 2.2365 1.5882 1.3764 1.2457 1.0359 0.8953 0.9525 0.9074 0.6547 0.4513 0.6813 0.8085 0.6452 1.0954 0.4701 1.1633 1.4116 N,N,N-trimethyl-alanylproline betaine (TMAP) 0.8906 3.5492 1.1532 0.7538 0.8190 0.7454 0.5678 0.8409 0.9223 0.7567 1.0503 0.9845 0.8745 1.0238 1.1071 1.2116 1.1405 1.1075 1.5011 1.0113 0.8046 0.8559 0.9890 1.0081 0.7452 0.8509 1.0904 0.9142 1.2606 0.7578 0.9789 0.9578 1.1166 1.7046 1.1804 0.6820 0.7024 1.0858 1.4261 0.8557 0.5024 1.0552 0.8760 0.8815 1.4725 0.9228 0.7914 1.1243 1.0336 1.7033 0.8893 1.1236 0.7052 0.9879 0.8903 0.9240 0.6556 1.0611 1.0587 1.2915 1.0509 0.9970 0.5841 0.9813 1.0333 1.0369 0.8914 1.0030 1.5090 1.2426 1.5330 1.3400 1.3939 0.4597 0.8987 1.2840 0.6479 1.6689 1.6488 0.7430 0.9454 1.1485 1.0972 1.4483 0.7386 0.7967 1.1058 0.5856 0.8405 0.9819 1.2802 1.2300 0.9697 0.8461 1.0520 0.8467 1.1795 1.3617 0.8005 1.2121 1.6010 0.7667 1.1482 0.6989 2.1226 1.3038 N,N-dimethyl-5-aminovalerate 0.2823 2.4684 0.2823 1.4952 0.2823 1.2260 0.5860 0.6398 0.2823 2.9663 1.2585 1.6261 1.4080 1.0145 0.6446 0.5726 0.2823 1.5523 0.2823 1.1737 0.2823 0.5847 6.2312 6.8497 0.6637 0.8914 3.3135 1.5612 3.3685 0.2823 1.9932 0.6044 0.2823 1.5633 0.4886 0.2823 0.6540 0.9987 0.3081 0.4332 0.2823 0.7843 0.6852 0.2823 0.2823 0.8385 0.2823 0.2823 0.9600 1.6510 0.2823 0.2823 4.7780 0.2823 0.2823 0.2823 1.3243 1.7352 1.0000 7.0810 0.2823 0.2823 0.9597 0.2823 0.2823 0.6245 0.2823 0.2823 0.2823 0.4053 0.2823 18.7418 1.2502 7.1537 0.2823 0.2823 0.2823 0.2823 0.2823 0.8017 0.9299 0.2823 3.0085 0.2823 0.2823 0.2823 1.2135 0.2823 1.9979 1.4366 1.4504 0.8005 0.2823 0.4363 0.2823 0.2823 0.9730 0.2823 0.8282 0.2823 0.5529 0.2823 0.5026 0.2823 0.4394 0.2823 N,N-dimethylalanine 1.0029 2.8428 1.0317 0.5404 0.4121 1.0619 1.5683 0.3671 0.4778 1.7343 0.9410 2.1741 0.6832 0.4757 0.8264 1.2847 3.1858 1.3430 1.0275 1.3090 1.1000 1.3565 0.5119 1.3029 0.3642 1.7214 2.3254 1.0055 1.3973 1.8297 0.8344 1.2122 0.9090 1.0328 0.7995 0.3089 0.9200 4.5575 0.7697 0.6600 2.6048 0.2847 0.7306 0.5542 1.1217 0.3866 0.1649 0.9079 1.7343 1.2198 0.5429 0.8040 2.0212 1.7298 1.0531 1.2187 0.5431 2.9532 0.2882 1.2290 0.9064 1.5707 0.3383 0.9695 2.3251 0.7208 0.9096 5.3316 1.5444 0.5496 0.4251 0.6213 1.0718 0.3431 0.5404 0.5195 0.5285 0.9579 0.6951 1.6289 1.9050 1.0302 0.7491 0.6109 0.0880 1.8331 0.6044 1.2572 0.5924 0.5931 2.2272 1.2300 0.4319 4.5222 0.1373 1.1387 0.7767 0.9971 0.8249 1.2516 2.2295 2.4115 1.4169 0.4152 2.6690 4.6310 N,O-didesmethylvenlafaxine 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 N-(2-furoyl)glycine 4.8262 1.0462 13.4465 0.3631 0.0533 0.4783 0.8618 0.0861 0.5153 3.7856 8.3340 2.8683 11.4370 9.4952 10.7077 3.1591 8.6212 4.7534 3.2754 1.2980 0.1620 1.0789 6.0564 5.1510 6.2522 5.9312 5.1510 3.5530 1.5382 3.3571 0.5439 10.1357 1.9650 7.3759 3.5831 3.6700 0.3052 12.8524 9.2692 0.9349 0.0533 0.3767 8.1929 1.0000 1.1886 33.3078 2.7899 2.5069 0.5899 2.4111 2.5023 0.0533 8.1246 1.5933 0.5821 4.6333 0.0920 7.2659 19.6635 1.5335 7.8513 12.8052 0.0533 0.1097 0.4608 0.6677 0.6390 0.7609 1.0022 0.0725 0.1190 0.4193 1.1236 0.3444 0.2378 0.1639 0.0705 0.6145 0.1773 0.0858 0.4164 0.1373 0.3101 0.1689 0.3221 0.5421 0.0533 0.1009 0.0533 0.6687 0.2986 0.4219 0.0870 0.7941 0.0533 0.1941 0.3224 0.1628 0.3506 0.2447 0.2626 0.1404 0.2827 0.0533 1.1222 2.4192 N-acetyl sulfapyridine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 N-acetyl-1-methylhistidine* 1.1943 2.4222 1.9903 0.2059 1.0911 0.7850 1.8210 1.3557 1.1383 0.7664 1.9257 0.9609 0.1174 0.5990 1.5642 0.3948 3.0182 0.7777 0.9753 2.6291 0.1190 0.5067 0.8300 0.6571 1.0778 1.4223 0.8248 0.3696 6.6771 1.0146 2.0454 1.9478 3.1543 2.2125 0.3572 0.3455 1.1164 2.0303 0.9291 0.3359 0.2530 2.0117 1.1979 0.8466 1.3649 2.7355 0.3050 0.8981 0.5242 1.3066 0.5122 2.1362 2.0052 0.3648 0.7206 0.4615 0.4869 1.8700 0.6647 0.7518 1.0916 2.2992 0.6648 0.4845 0.1174 2.2380 0.5007 4.0252 1.0662 5.9745 0.9006 1.0955 0.6888 0.3206 0.7935 0.1980 1.9241 0.8376 1.5688 0.3621 0.4607 0.7955 1.3577 2.0876 0.2696 1.5667 2.2693 1.1298 1.5329 4.1076 2.0241 0.8479 2.1726 0.7818 0.2873 0.5965 1.4707 0.6801 0.6021 0.1455 1.0000 0.3499 1.1406 2.6168 4.0351 2.7014 N-acetyl-2-aminooctanoate* 2.5133 1.0492 1.1918 0.5127 1.0528 1.0700 0.9643 1.3960 1.0544 0.6654 1.5292 0.7435 1.3001 0.7329 0.8456 0.6372 2.0838 0.6297 0.8844 1.9926 0.5199 0.9780 0.7867 0.6214 1.0617 1.0885 0.5925 0.2965 3.9906 0.9761 1.0525 1.4524 0.8446 2.3879 0.6700 0.3982 2.3275 2.1459 1.2803 0.6847 0.9863 0.4529 0.6420 0.6899 0.7733 0.7013 0.5193 1.1483 0.7982 0.5951 0.7774 0.5209 1.3253 1.2847 0.8988 0.5129 0.9390 1.0259 2.4060 0.7091 1.2890 0.7201 1.0510 0.9315 0.7513 2.4046 0.7961 1.1029 0.6078 1.1854 1.1901 1.9619 1.0126 0.9874 0.6177 1.2515 0.9821 1.1078 1.0497 1.5544 1.1317 0.6921 1.4005 1.3205 0.7923 1.1781 0.8826 0.8355 0.4676 2.7125 0.9770 1.1131 1.6655 0.8015 2.6369 0.5990 1.7918 1.1747 0.9060 1.6140 1.1429 0.8241 1.9157 2.4502 2.4246 1.7301 N-acetyl-3-methylhistidine* 0.4175 2.9555 0.2092 0.6278 0.2092 0.3012 0.6407 0.2092 0.7806 0.2092 0.2092 0.2092 0.8105 0.2092 0.6992 0.2092 1.6376 0.2092 1.3451 7.0422 0.2092 0.2092 2.1174 0.2092 1.0195 0.6843 1.0000 0.8122 1.2136 0.2092 4.6387 2.2219 2.1049 4.0994 0.2092 0.3107 1.2918 1.3311 0.3686 1.9036 0.9329 1.9710 0.7992 0.2092 0.2092 0.6216 0.2092 0.7060 0.9971 1.2654 0.2092 0.8589 2.0549 0.2092 0.2092 0.2092 0.2911 1.4864 0.2092 0.2092 1.3864 2.1744 0.5140 0.2092 1.9607 7.6295 0.4257 2.1309 1.8382 7.6650 1.0476 0.3719 0.2092 1.3996 0.2092 0.3983 0.4700 0.8690 1.4908 0.2092 0.2092 0.2737 1.5759 0.5419 0.2092 0.5284 1.1120 0.2092 0.2537 2.9608 2.2161 0.2092 3.2596 0.2092 0.2092 0.3515 0.4806 0.2092 0.9975 0.2092 1.4073 0.2092 0.9763 1.9272 0.8982 0.7161 N-acetyl-aspartyl-glutamate (NAAG) 0.2406 1.8518 0.3237 0.9842 0.8769 0.9182 0.5224 1.3143 0.3096 1.1641 1.1119 0.5701 0.7243 0.5322 1.1404 0.2406 1.2118 0.2406 1.0700 0.8118 0.4809 2.2191 1.0955 1.6612 1.0773 0.2406 0.7545 1.8495 0.2406 1.1221 1.1570 1.2056 0.8324 0.8890 1.0123 1.1833 1.2409 0.8793 1.3465 0.7908 0.6923 1.7441 1.3841 0.7688 0.9892 1.1301 0.2406 0.2406 0.7532 1.1931 1.0540 0.2406 0.7978 0.5241 1.0548 0.8425 0.7628 0.6862 1.0713 0.9354 0.6319 1.3655 0.2866 0.6194 0.7100 0.9209 1.7190 1.3303 0.7275 0.9332 1.1507 0.8204 1.8466 1.8002 1.8503 1.4063 1.0934 1.0453 1.1213 0.7901 0.7021 0.7310 2.2037 1.1925 0.5583 1.1014 1.0705 1.0143 0.8980 0.9145 1.8881 1.0182 1.0169 0.4540 0.6041 0.7191 0.8239 0.5958 1.0024 1.1318 0.8896 0.8947 1.1206 0.5697 1.2016 1.0000 N-acetyl-beta-alanine 1.2949 1.4721 0.6602 0.8494 0.9950 0.6700 1.2540 0.9515 1.3196 0.7260 1.0688 1.1529 2.0741 1.4011 0.6221 1.1668 1.0126 1.4587 0.8094 0.9134 0.9563 0.4979 1.8203 0.8937 0.5384 1.0762 0.9690 0.6419 1.1385 1.0050 0.8102 0.9755 0.6714 1.2056 1.0905 1.2736 0.8986 0.7890 0.7349 1.1583 0.8230 1.2717 0.7023 0.9717 1.1553 1.0200 0.8766 0.9057 0.6808 1.6294 1.0684 1.2532 1.3248 0.5246 0.5735 0.7841 1.1896 1.2238 0.7788 0.5497 1.0480 1.3746 0.9887 0.9362 1.0855 1.3541 0.5005 0.7164 1.0322 0.9823 1.3055 1.1959 1.3144 1.5910 1.1707 0.9816 0.7251 1.3227 0.8234 0.6494 0.7593 0.7819 1.1561 2.2488 0.8716 0.6051 0.8179 0.6933 0.6154 1.5939 1.1382 1.5353 1.0246 1.2975 0.7007 0.8065 1.3847 1.2332 1.2564 0.8839 1.1710 0.8277 1.0201 0.5283 1.0196 1.2240 N-acetyl-isoputreanine 1.1948 1.9829 0.6744 1.2737 2.0621 0.9387 0.7316 1.1237 0.6536 1.1619 1.4105 0.6534 1.0850 0.8583 0.9580 2.1626 1.7334 1.0731 1.1423 1.6630 0.7871 0.8808 1.0083 0.5563 0.5083 1.3336 0.6874 0.7786 0.8661 0.9470 0.8697 0.8671 0.9381 3.0787 0.6438 1.5992 0.7042 0.8990 1.3057 1.0700 0.7187 0.3541 0.8284 0.8997 2.2092 1.0980 0.6707 1.8879 0.9740 1.0000 1.0769 2.7371 0.7751 0.8422 1.2093 0.7292 1.1922 1.3799 1.1760 0.9497 0.7966 1.4520 0.6010 1.0674 0.8085 0.9728 1.1607 1.7131 0.9718 1.6790 1.9101 1.3154 1.4246 0.4328 0.8856 1.1477 0.4114 1.2790 0.9706 1.2896 0.8182 0.3541 0.9377 1.2502 0.5699 0.8981 0.8311 0.9250 1.1188 1.8507 1.3234 1.0669 1.4624 1.0378 1.0425 0.8264 0.8309 1.0482 0.9059 1.2117 1.0193 0.6336 1.2250 0.8105 1.4742 0.7698 N-acetylalanine 1.1322 1.8874 1.1956 0.8089 0.8209 0.8103 0.7970 1.0248 0.9043 1.0923 1.0942 0.9965 1.1705 1.0140 1.0400 1.1965 1.1058 1.1039 1.1526 0.9533 0.9118 0.9605 1.0275 1.0994 0.9247 1.2883 0.9299 0.9681 1.6152 0.8505 0.9496 1.0308 1.0377 1.8422 1.0291 0.9010 0.8647 0.8757 1.2125 0.8312 0.7313 1.0885 1.0133 0.8990 1.3597 1.0035 0.9685 1.1157 0.9342 1.1971 0.8605 1.2191 0.8649 0.8648 1.0078 0.8890 0.7749 1.0852 1.1941 1.1012 0.8860 1.0275 0.8594 0.8251 1.3078 1.1671 1.0740 1.2339 1.2558 1.1271 1.1285 1.0793 1.7858 0.7722 0.8441 1.2694 0.7088 1.3317 1.1726 0.9906 0.8764 0.8907 1.1125 1.2438 0.7295 0.8331 0.9819 0.7374 0.7491 1.5517 1.4583 1.0774 0.8984 0.9135 0.9264 0.9436 0.9288 0.9455 0.9171 0.9302 0.9309 0.8055 0.9783 1.0367 1.4572 0.8880 N-acetylalliin 3.7315 1.2007 0.1945 0.1945 0.1945 0.1945 0.1945 0.5324 0.1945 0.5096 0.1945 0.1945 0.1945 0.1945 0.1945 0.1945 0.8299 0.1945 0.1945 1.1615 0.1945 0.1945 0.9650 0.1945 0.6759 1.7650 0.1945 0.1945 1.0000 0.1945 0.1945 0.1945 0.1945 0.1945 0.1945 0.1945 6.3874 0.1945 0.3977 0.1945 0.1945 2.6205 0.1945 0.1945 0.1945 0.1945 0.1945 0.2794 0.1945 0.1945 0.1945 0.1945 0.1945 0.1945 4.4282 0.1945 0.1945 0.1945 0.1945 0.1945 0.1945 3.1974 0.8985 0.1945 0.1945 29.5462 0.8744 1.7069 3.0067 3.4231 0.1945 0.1945 0.1945 0.1945 0.1945 0.8194 2.4484 0.3459 0.8441 0.1945 0.1945 0.8229 0.1945 0.1945 0.1945 0.1945 0.1945 0.1945 0.1945 1.0410 0.1945 0.1945 18.6122 0.1945 0.5325 0.2967 0.7730 0.1945 0.1945 1.3594 0.1945 1.4363 13.6176 0.1945 0.3667 0.1945 N-acetylarginine 1.2733 0.7835 1.5927 0.6965 0.9160 0.6640 2.0323 1.8294 0.7546 0.9661 1.1145 0.6791 0.5279 0.3073 0.7980 0.7507 1.0499 1.2924 1.4857 1.4889 0.3951 0.6160 1.2506 1.0971 0.9355 1.0756 1.2898 1.1498 2.5039 1.5045 1.8226 1.6626 1.6921 0.8752 0.6049 0.8002 1.8999 1.6386 0.8778 1.2113 0.7693 1.0955 1.7079 0.8631 1.0085 1.7570 0.8121 0.8055 0.9846 0.9629 0.9854 2.1603 1.1551 0.7734 0.8722 0.8318 0.9305 1.3638 0.9232 0.8728 0.9417 0.8915 0.9151 0.8702 0.7216 1.2946 0.7903 0.6850 0.9915 1.8756 0.8716 1.1872 1.0308 0.5119 1.1425 0.6133 1.3519 1.0716 1.2344 1.0574 0.6298 1.0817 1.2019 1.9824 0.8327 0.8495 3.1337 0.7477 1.2073 0.7721 0.7951 1.2805 1.4984 2.9311 1.0421 1.0104 1.8260 0.9411 0.9907 0.6392 0.8940 0.9400 1.5604 1.7825 1.8042 2.6985 N-acetylaspartate (NAA) 1.3771 1.0026 0.8772 0.9637 0.8430 0.8305 0.6994 1.1335 0.9019 1.0916 1.1633 0.9227 0.9974 1.0797 1.0822 1.0193 0.8494 1.8095 1.0674 1.0204 0.9364 1.0594 1.1488 1.2615 1.3603 1.4124 1.0384 1.0463 1.9640 1.0827 1.0632 1.2570 1.0627 1.2258 0.7204 1.0988 1.0828 1.1036 1.0312 0.8981 0.8195 0.9678 1.3275 1.0841 1.0970 0.7640 1.1439 1.2236 0.9613 0.8863 0.9705 1.5839 0.8544 0.8198 0.9754 0.9160 0.7883 1.2033 1.3703 0.8070 0.6218 0.8539 0.4715 0.4466 0.5780 0.5585 1.1286 1.0072 1.0370 1.2704 1.0284 1.0771 1.4622 0.7589 1.0518 1.3380 0.4919 0.8021 0.5548 1.1541 1.0463 0.8380 1.3736 0.5459 0.4722 0.5507 0.4968 0.4553 0.7674 0.8506 1.8361 0.8677 0.9291 0.9910 0.4738 0.6765 0.8211 0.5440 0.9721 1.3249 0.5561 1.0805 1.1961 0.9064 1.0729 0.5525 N-acetylcarnosine 1.2099 1.5364 0.8751 0.7675 0.7337 1.2631 0.6061 1.1800 1.6250 0.8743 1.2371 1.7284 1.1339 1.5218 1.3613 0.8305 1.9211 0.8089 0.9796 1.0573 0.9804 0.8840 0.9948 1.3221 1.0153 0.8343 0.8737 1.0804 1.0339 0.9859 0.5476 0.9728 1.0273 1.2581 0.8228 0.5193 0.4584 1.0223 1.6550 1.2064 0.4106 0.8956 1.7289 0.6735 1.8406 0.8811 1.1111 0.6754 1.0052 2.4798 1.5476 0.3349 0.6181 1.1897 0.7501 1.1678 0.6416 1.5357 1.0261 1.0123 2.0353 1.4839 0.7627 1.0135 0.6962 0.9179 0.9845 0.6160 1.0582 1.6200 1.2885 1.6614 0.9246 0.2657 1.1615 0.9802 0.8703 1.2300 1.2020 0.2038 2.0184 0.8927 0.6626 0.9004 0.9241 0.7481 1.3804 0.6666 0.9214 0.4812 0.9586 1.1647 0.9656 0.5271 1.1717 0.9133 1.1402 1.1935 0.9821 1.3419 1.6253 0.4358 1.1023 0.3770 1.1368 1.0652 N-acetylcitrulline 1.4686 0.9037 4.0136 0.2323 0.6373 0.4614 1.4636 2.8639 1.4182 0.4269 1.0668 0.2942 0.2323 0.2323 0.6288 0.4372 0.8252 1.9906 2.0055 1.6924 0.2323 0.4940 1.6414 0.2323 1.0078 1.0130 1.7851 0.6609 5.4590 3.4193 1.7455 2.2667 5.3102 0.6288 0.4612 0.3910 3.3957 1.6304 1.0112 0.2323 0.3077 1.6575 1.0000 0.2323 0.5779 2.6893 0.2323 0.2868 0.2452 0.9463 0.4127 4.9470 0.3826 0.4561 0.4258 0.4141 0.2553 2.3900 0.2323 0.6256 1.1917 1.8649 0.6237 0.2323 0.8680 4.8120 0.2323 0.2517 0.6428 2.1786 0.5263 1.5377 0.5271 0.2323 0.8707 0.2323 2.4454 0.5347 2.7388 0.2323 0.2323 0.9377 1.0465 1.9501 0.2323 0.6076 3.7173 0.7595 1.0377 1.8142 0.3652 1.2095 0.9284 4.1555 0.3668 0.4892 1.3974 0.2323 0.3009 0.2350 0.2323 0.3579 1.0001 1.3489 2.2850 3.2073 N-acetylglucosamine/N-acetylgalactosamine 1.1195 1.4099 0.8760 0.9301 1.4092 0.8497 0.5755 1.2400 0.5376 1.1152 1.2470 1.1182 1.7687 0.8359 0.7961 1.0468 1.1087 0.9995 1.0244 0.5680 0.9205 1.4090 0.8529 1.2937 0.4770 1.3831 0.6411 0.8034 1.5838 1.2165 0.8339 0.9601 1.0730 1.2929 0.7471 1.2242 0.9123 0.8368 1.0399 0.7136 0.4155 1.2364 1.2862 1.1668 1.3106 0.9702 1.1061 1.4431 0.9064 0.8747 0.9575 1.5767 0.5180 0.5450 1.1134 0.6897 0.8049 0.8830 1.1458 1.1632 0.5934 0.9885 1.1499 0.7151 1.3252 0.8071 1.0289 1.1824 1.2177 1.1671 1.1193 1.2379 1.3805 0.5689 0.9682 1.6564 0.6563 1.2071 1.3834 0.9425 0.5630 0.9418 0.6432 1.1772 0.8040 0.6803 1.0806 1.0008 0.9665 1.4417 1.6834 1.2304 0.9270 1.0689 1.1595 0.9080 1.0537 0.5200 0.5037 0.6280 1.1363 0.5005 0.5523 0.9664 1.0005 0.6464 N-acetylglucosaminylasparagine 0.9897 3.7329 0.9242 0.7905 0.6911 0.8916 1.2784 1.2767 1.1884 1.0509 1.0496 1.3135 1.1602 1.8486 1.1537 1.7163 1.4101 0.8631 1.1401 1.2671 1.1572 0.7128 1.2422 1.0829 0.8350 1.2030 0.9746 0.6137 1.1146 0.8348 0.4200 1.1877 1.5390 1.4862 0.7187 1.2528 0.5970 1.4166 0.8985 0.9567 0.8087 0.9678 0.9057 0.9461 1.0769 0.5592 0.4241 1.5954 1.6521 1.2950 0.9400 1.4356 0.8738 0.4056 1.0415 0.8653 0.4148 1.4574 1.3881 0.7152 1.3503 0.9009 0.9091 0.7931 1.2121 1.1091 0.8985 1.1613 1.5199 0.9879 1.4369 0.6040 2.6080 0.4252 0.9311 0.9036 0.4056 0.9420 1.4042 0.9318 0.7023 0.9988 0.8702 1.3789 1.2867 0.7188 1.3082 0.9022 1.0315 2.0360 1.3245 1.1210 1.2707 1.0000 1.2042 0.4732 0.9688 0.8960 0.6784 1.1531 0.8912 0.7437 0.9601 0.9703 1.5909 1.2851 N-acetylglutamate 1.2724 0.9538 0.8698 0.7483 1.1102 0.7234 0.8451 1.0607 1.0947 1.2709 1.0069 0.8531 1.3197 1.2741 1.1333 1.4682 0.9931 0.8509 0.7750 1.0886 0.7335 0.9799 1.4498 0.9103 0.8296 1.4385 1.0345 0.5400 1.8206 1.5047 1.2960 0.9806 1.0825 1.9650 1.1054 1.7999 0.7760 1.1656 1.3824 0.6075 0.8768 0.8786 1.1457 0.9383 1.9174 1.0632 1.1107 0.7842 0.6067 0.9228 0.7593 2.9983 1.1786 0.6455 1.7046 0.8660 1.1794 1.9947 1.3579 2.0984 1.8029 0.6934 0.9299 0.8612 1.2201 0.7998 1.0666 1.6611 1.2573 1.2422 1.0622 1.1426 1.5857 1.7500 0.6767 1.4298 1.9094 1.2951 0.9459 0.8760 1.1221 1.0291 0.7146 1.0540 0.9483 0.7572 0.6902 0.7123 0.7319 1.9909 1.4543 0.7412 0.9503 0.9850 0.8323 0.7195 0.9650 0.7296 0.6830 0.6825 0.6678 0.7569 0.8149 0.6739 1.1415 0.7456 N-acetylglutamine 0.9321 1.6927 1.9702 0.3524 0.9889 0.3524 0.9342 1.6902 0.7000 1.1637 0.9741 0.6972 0.3524 0.9692 0.8931 1.1742 1.0100 1.3726 0.7398 0.9890 0.3524 0.7289 0.3524 0.3524 0.8344 0.8461 1.1101 0.7956 3.3035 1.4574 1.2958 1.0681 1.3763 1.7207 0.8112 1.3082 1.0535 1.2269 0.9520 0.4765 0.4764 1.4268 0.5125 0.8456 2.3439 1.7387 0.3524 1.2506 0.6982 1.1657 0.5310 6.8354 0.7419 0.3524 0.6750 0.9900 0.5893 1.5414 0.8365 0.9209 9.7498 0.8684 0.3524 0.5390 1.0681 1.9784 0.3524 0.6961 1.0734 1.8274 0.3524 1.3710 0.9608 0.4204 0.9209 0.7674 2.2899 1.3414 1.3836 0.8017 0.6983 1.1070 0.3524 1.2392 0.4415 0.9222 1.2814 0.3524 0.3825 2.6069 1.3229 1.0568 0.6458 1.5255 0.3524 0.6839 1.9096 1.0610 0.3524 0.6844 0.7792 0.7540 1.6270 1.3079 1.9631 2.4972 N-acetylglycine 1.2216 1.2669 0.7383 0.4863 1.4397 0.7491 1.0880 1.1408 1.1534 1.0443 1.0593 0.9620 2.1905 0.8795 1.9057 0.9576 0.6296 0.9999 0.6997 1.1892 0.7690 0.7819 0.8136 0.6130 0.9805 1.1403 0.7671 1.6676 1.1045 0.7488 1.3650 0.7818 0.7790 1.1659 0.5252 0.5378 0.6082 0.7935 0.8442 0.6000 4.0380 0.9642 0.5830 2.8428 1.5197 0.8886 0.3441 3.8741 0.5911 0.8921 0.6674 1.9708 0.7216 0.5865 0.9919 0.4946 1.1296 1.1904 0.9017 1.0004 1.5794 0.9096 0.8120 1.2130 1.1325 1.2781 1.5574 1.0001 1.1021 1.5169 0.9342 0.8197 1.5697 1.5781 0.9305 1.3388 1.5595 1.4724 1.1491 0.7082 1.1324 3.6211 0.6458 1.0708 0.7009 2.3323 1.9176 0.8208 0.9444 1.7468 2.8866 0.5448 0.7592 0.8258 0.7584 1.0177 1.0195 2.5466 0.6968 0.8169 2.2067 0.9186 1.1544 2.7578 1.2341 1.3911 N-acetylhistidine 1.5060 2.2793 2.3786 0.3132 1.3325 0.5557 0.5478 1.3619 0.3132 1.0631 1.1421 0.4242 0.6118 0.9279 1.0592 0.9309 1.0806 1.3662 1.3478 1.2120 0.3132 1.0254 0.6511 0.3132 0.3132 2.1997 1.0045 0.6825 5.0249 1.1396 0.9879 0.9043 1.5225 1.5648 0.3132 0.6575 1.5228 0.6714 1.3350 0.3132 0.5131 1.7955 0.5836 1.0022 1.6657 1.8108 0.3132 0.8035 0.3132 0.4834 0.5591 8.5659 0.3132 0.3132 0.7961 0.7747 0.3132 0.7816 0.7024 0.3132 0.5453 0.9541 0.4173 0.4233 0.5768 1.3376 0.3132 1.0654 0.6891 1.9929 0.8066 1.1166 2.2310 0.3132 0.8915 1.4279 1.0657 1.8150 0.8689 0.8767 0.3132 0.7170 1.1917 1.1398 0.3132 0.3132 0.9827 1.0000 0.3132 2.8589 2.5954 0.8461 0.3132 0.8020 0.5687 0.4347 1.1585 0.5378 0.8657 0.6380 0.5051 0.7856 1.2411 1.9146 2.4295 1.4339 N-acetylleucine 1.0002 1.0587 1.4140 0.6201 1.2478 0.6367 0.7711 1.4329 0.9345 0.9446 1.1980 0.7759 1.8869 0.8295 1.1394 0.7256 0.8556 1.2089 0.9026 1.1895 0.6154 0.7147 0.9270 0.7939 1.1097 1.1669 1.5346 0.9914 1.9939 1.5814 0.9340 1.4435 1.9671 1.4461 1.1210 1.5129 1.0953 1.1467 0.7321 0.6243 0.5014 1.1260 1.4386 0.7648 0.9998 2.3291 0.8435 1.0366 0.5669 1.0844 0.7061 7.2563 0.7459 0.9292 0.9454 0.7385 0.6880 1.4740 1.1915 0.9769 1.1514 1.1397 0.8502 1.1562 1.2534 1.2992 0.7347 0.8090 0.6924 1.4933 0.9683 0.9681 1.2035 1.2780 0.8448 1.1067 1.5790 1.0057 1.2862 0.6724 0.7175 0.9656 1.0028 1.3410 0.9268 0.7183 1.3378 0.6391 1.0301 1.6037 1.2052 0.8943 0.9583 1.1560 0.8737 0.9321 1.3938 0.6604 1.1266 0.8890 0.9277 0.5916 0.9606 0.8157 1.2316 1.2172 N-acetylmethionine 1.1781 1.6551 1.2879 0.7318 0.3877 0.6272 0.7731 0.8893 0.9960 1.5612 0.9929 1.2729 1.4007 1.7160 0.8023 1.2965 0.8510 0.7381 1.0491 1.1583 1.1035 0.9031 1.1900 1.0040 0.8207 1.0994 0.9314 0.7648 0.7626 0.7129 0.6913 1.1296 1.3344 2.7479 1.0801 0.9892 0.6292 1.2441 1.2320 0.8523 0.7676 1.0099 0.8852 0.9589 0.7972 0.8498 0.9638 1.3020 1.0559 1.2902 0.7648 1.3368 0.9200 0.9014 1.0883 1.1034 1.0078 1.1727 1.3812 1.4049 1.0957 0.7979 0.6671 0.9286 1.4456 1.0483 1.2848 0.8592 1.4914 0.8514 0.9958 1.0779 2.3677 0.8513 0.7093 1.0264 0.7464 1.3369 0.9888 1.0208 0.8477 1.2066 0.9693 1.1734 0.8047 0.7854 1.1718 0.5366 0.7304 1.5286 1.4464 0.9207 0.6385 1.1151 0.8160 1.0921 0.9681 1.0881 1.0295 0.9729 1.2777 0.9091 0.8879 0.9958 1.8045 1.0836 N-acetylneuraminate 0.7907 2.0665 0.7980 1.9750 0.2497 0.8583 1.0434 0.6288 0.8378 0.7928 0.7187 0.5550 0.8914 2.4527 0.4878 1.0646 1.3477 0.6119 1.2918 0.9987 0.9537 2.1219 1.0222 1.2696 0.9455 0.8384 0.7543 0.2106 1.0574 0.9792 0.6626 0.6636 0.9425 2.0506 1.1518 0.5715 1.0533 1.1668 0.9384 0.7150 0.6032 0.8389 1.0065 0.8263 1.4042 0.6974 0.4858 0.8505 1.1294 1.1815 1.0013 1.0165 0.9884 1.7783 1.5595 0.8199 1.0080 1.1738 1.1674 1.0381 1.0544 0.7060 0.6694 1.0019 1.1741 0.9111 0.9695 1.7038 1.2992 1.0404 1.1656 0.9121 1.8967 0.7145 0.7304 1.8383 1.0692 1.2436 1.1415 1.0623 0.9887 1.2802 0.8967 1.8137 1.0938 0.5453 1.3121 0.9163 1.3628 1.9906 1.1568 1.3570 0.9889 0.8009 0.8920 0.6994 0.6267 1.1255 0.8613 0.6793 1.0297 0.7375 0.8013 1.4068 1.3845 1.5667 N-acetylphenylalanine 1.2344 1.3528 1.5590 0.4581 1.5077 0.7736 0.7469 1.1592 1.1148 1.1055 1.3233 0.8810 1.0544 0.7726 1.3527 0.7996 1.3416 1.1688 0.8192 1.8896 0.4718 0.7480 1.2441 0.6848 0.9943 1.3287 1.0735 0.7522 3.2174 1.0057 1.0902 1.2946 1.2780 1.5981 0.6472 0.9612 0.9844 1.3148 1.0415 0.7111 0.3487 1.2278 1.1340 1.0523 1.4189 2.1983 0.8809 0.9440 0.7377 1.1757 0.7725 5.7415 0.6332 0.6325 0.8068 0.7196 0.5284 1.0425 1.0855 0.6861 0.9814 1.3928 0.6706 0.8210 1.0134 1.2172 0.6005 1.0065 0.8925 3.2443 1.2717 1.8355 1.3429 0.5339 1.2840 0.7234 1.3446 0.7760 1.2442 0.6627 0.7210 0.9178 1.0966 0.9664 0.5469 0.7343 2.1991 0.8092 0.9542 1.6150 1.2907 0.9891 0.8530 1.0295 0.6169 0.8320 1.9143 0.7181 0.7891 0.6593 0.7258 0.6939 0.9652 1.1611 1.8032 1.5966 N-acetylproline 0.8224 1.2268 1.1066 0.9315 0.1066 0.7074 0.7447 0.5685 0.6017 1.0957 0.9373 0.8840 1.0046 0.8520 1.6143 1.2258 0.7622 0.4362 1.3291 0.1066 0.9954 0.7075 1.2183 0.9724 1.4075 1.4109 1.6251 0.3038 0.7645 1.0123 1.6614 0.9005 0.7084 1.0309 0.9375 1.6658 1.2486 1.0479 1.6416 0.8908 0.1066 0.1066 1.0200 0.5152 1.4698 6.2944 0.7914 0.8567 0.8467 0.8493 0.4174 1.2191 1.0510 0.4187 1.2097 1.0889 0.1066 2.0862 0.8629 1.2038 1.1251 0.1066 0.1066 0.9124 1.5753 0.9101 1.2889 1.4619 1.1423 0.9891 0.3750 1.2067 1.6240 0.8235 0.1066 1.1032 1.2476 1.3011 0.9170 0.1066 0.6901 0.1066 0.8105 1.0285 1.1365 0.1066 0.5643 0.7279 0.9217 1.8188 1.2463 0.8392 0.9007 1.1839 1.0243 0.4914 0.7836 0.7680 1.0302 1.2888 1.1082 0.5722 0.5028 0.4373 1.0935 1.1039 N-acetylputrescine 1.0823 1.1684 1.0444 1.0066 1.0146 0.7079 0.6011 0.8673 1.2464 1.1384 0.8136 1.0410 2.3214 1.3940 0.8397 1.2241 1.1441 1.3620 1.0033 1.5025 0.7661 1.4997 1.1797 1.0582 0.8791 1.0319 1.4061 0.7110 2.4967 0.7787 1.1351 1.1517 0.9116 1.6060 1.0615 1.2756 1.1672 1.3284 0.7316 0.9537 0.6068 2.1156 0.6330 1.1050 2.7997 0.9615 0.9111 0.8935 0.5806 1.1278 0.7279 2.7735 0.6243 0.8435 0.9178 0.8015 1.3049 0.9967 1.0357 1.4331 0.9416 0.7492 0.8318 0.8604 1.6695 0.9958 0.8411 1.0952 1.0478 1.2597 1.0042 1.1800 1.2394 0.6786 1.2864 0.7391 0.8758 1.2435 0.9476 0.8844 0.7461 1.0349 1.1466 1.4459 0.9745 0.5091 0.8168 0.7029 0.6065 1.6159 0.8575 0.9814 1.0033 0.9892 0.8556 0.8819 1.3276 0.9268 0.6757 0.8364 1.6287 0.9252 0.9225 0.7963 1.1158 0.7164 N-acetylserine 1.0016 2.4783 0.9645 1.0353 0.8180 0.8408 0.8719 1.0172 0.9781 1.4359 0.9997 1.2150 1.3732 1.0285 1.0306 1.3527 1.3200 0.9299 1.3140 0.9375 0.9256 0.9578 1.0609 1.1455 0.7598 1.1416 0.8915 0.6893 1.7958 1.0710 0.9735 0.9278 0.9880 2.6278 1.1622 0.7902 0.8936 0.9125 1.2395 0.8215 0.8303 0.9561 0.9150 1.0010 1.6037 1.0003 0.8668 1.0305 1.0905 1.6348 0.8803 1.3597 0.9039 0.8672 1.0681 0.9346 0.7854 1.2314 1.1849 1.2452 0.9551 0.9303 0.9131 0.8873 1.3309 1.3076 1.0292 1.4004 1.4397 1.3584 1.5001 1.1427 2.0684 0.9140 0.7643 1.0830 0.8295 1.3962 1.1264 0.8179 0.9642 0.9672 0.9383 1.4043 0.7981 0.7723 0.9904 0.8898 0.8387 1.8877 1.3960 1.2367 1.0020 0.9319 0.8979 1.0718 0.8981 0.9984 0.9531 0.9170 1.1722 0.7683 0.9953 1.0467 1.5674 1.0431 N-acetyltaurine 1.4412 4.7952 1.5621 0.7749 2.2689 0.5909 0.7201 1.0282 0.5655 0.7922 1.1422 0.6650 2.2367 1.1714 0.9218 0.8380 1.2045 2.5077 1.3144 0.8147 0.9209 1.0984 0.6520 1.2837 0.8370 2.0131 0.6637 1.2203 1.8768 0.8024 0.7165 1.0945 1.3937 1.9636 0.6729 0.8429 0.7461 0.9319 1.2712 0.6768 0.2137 1.6685 0.8103 1.0898 2.3593 1.8593 1.0536 1.6770 0.4668 0.6136 0.5884 7.8869 0.9444 0.3408 1.2447 0.5612 0.4287 1.2138 1.1535 1.8883 0.5379 1.0503 0.6874 0.4777 1.8273 1.1403 1.0366 1.5661 1.2081 1.1541 0.8042 0.7476 1.7331 1.1317 1.0437 1.2663 3.3303 1.8901 1.4929 0.8509 0.4593 0.5836 1.1115 1.8916 0.4864 0.5665 1.0199 0.9801 0.8762 3.8054 3.9179 0.8253 0.5899 1.2528 0.8347 0.6208 0.7199 0.5533 0.9248 0.8552 0.7123 0.4591 0.8973 0.9035 1.8286 1.0366 N-acetylthreonine 1.0108 3.0395 0.9934 0.7028 0.7938 0.7047 1.1457 1.0996 1.0473 1.3819 0.8309 1.0250 0.8464 0.9524 1.2212 1.4459 1.6934 1.1067 1.1455 1.0529 0.9173 0.7506 1.0894 0.7902 0.7475 0.9637 1.1678 0.9212 2.1302 1.0472 1.0927 1.0473 0.7906 1.9407 1.1668 0.6871 0.9614 1.1442 1.2687 0.9187 1.0484 1.0334 0.6910 0.9507 1.2636 0.8150 0.7299 1.5218 0.7981 1.7601 0.6461 0.9661 0.7524 0.7140 0.9097 1.0569 0.7246 1.3506 1.0384 1.0432 0.9499 0.8194 0.9515 0.7283 1.4469 1.3595 0.8372 1.4773 2.2313 1.0494 1.0006 1.2208 1.8701 1.3303 0.8858 0.9790 0.9596 2.0388 1.4429 0.8560 0.7141 1.4615 1.0529 1.5894 0.6928 0.9660 0.8111 0.7284 0.8604 2.0247 1.3704 1.3523 0.8498 0.9582 0.7617 0.7131 0.6943 1.3574 0.7222 0.7631 0.9994 0.7591 1.0731 0.9301 1.8154 1.3229 N-acetyltryptophan 1.6864 2.0713 0.8062 0.9164 2.1498 1.3839 0.6641 0.8103 1.7987 0.9128 0.7658 1.1938 0.6350 0.8707 1.5010 0.8176 1.7106 1.4877 0.8751 2.2036 0.3665 0.8331 1.2969 0.5154 0.9439 2.1217 1.8140 0.6337 1.6666 0.6027 0.7707 1.5461 0.6008 1.3691 0.7033 0.6171 0.7351 0.8869 0.9831 0.6052 0.3893 1.1258 1.6174 1.6493 1.0173 1.2750 1.2546 0.8785 0.7863 1.5658 1.1200 3.4850 0.6631 1.0332 0.9369 0.6663 0.8175 2.2824 1.2387 0.3772 1.4807 1.4582 1.8363 0.9823 1.2177 1.0005 0.6852 0.8969 1.5940 3.5371 1.6347 3.3105 1.4124 0.5703 0.8000 0.6970 0.9492 0.9756 1.2700 0.8465 1.2732 1.0513 1.5463 0.8392 0.9213 0.5229 2.2512 0.5769 1.1460 2.4435 1.6866 1.3797 0.7804 0.8457 0.7483 1.0978 1.3475 0.9995 1.2841 1.0035 0.6883 0.9540 0.9540 0.8626 1.5998 2.2791 N-acetyltyrosine 1.2235 1.3139 1.6177 0.5472 0.9178 1.0093 0.8712 0.7996 1.2314 1.1089 1.1496 1.0251 0.5472 0.5472 0.7608 0.7259 1.2387 1.1593 0.6978 1.5251 0.5472 0.7523 1.1645 0.5472 1.1080 1.2440 1.5208 0.8480 2.3514 1.2803 1.2360 1.7103 1.4828 1.8493 0.8748 1.1057 1.1619 1.2694 0.6947 0.6080 0.5708 0.8752 1.5224 0.5472 0.5472 1.9889 1.1691 0.8647 0.9283 1.1090 1.0676 4.5461 0.6901 0.8355 0.7808 0.9723 0.5472 1.0846 1.3969 0.5472 1.2953 1.4212 0.9732 0.5472 1.0883 1.0892 0.9538 0.5472 0.8791 2.2883 1.0437 1.7686 1.2260 0.6289 0.9917 0.9477 0.9344 0.8259 1.3089 0.7913 0.7601 0.5689 0.8228 0.9797 0.6515 1.0083 1.5552 0.6583 0.9349 1.3672 0.9466 0.7944 0.9104 0.7754 0.7074 0.8120 2.0714 0.5799 0.7860 0.9829 0.8708 0.8269 1.6404 0.7446 1.5929 1.6827 N-acetylvaline 1.0332 1.7884 1.0794 0.8508 1.1675 0.6862 0.9953 0.9799 0.9406 1.0564 1.0391 0.8552 0.9744 1.0673 0.8594 1.1066 1.3253 1.0164 1.0042 0.8732 0.8837 1.0276 1.6716 0.9952 0.8088 0.9073 1.0198 0.8279 1.3697 0.8752 0.8873 0.9837 1.0360 1.7106 0.9814 0.9029 0.7445 0.9891 1.1168 0.6858 0.6494 0.9641 0.9738 1.0923 1.6407 1.2081 0.8511 1.0312 0.9188 1.3825 0.8706 2.7304 0.8761 0.9114 1.2523 0.9277 0.9546 1.3495 1.2910 1.4016 1.0864 0.8657 1.0063 0.9868 1.1199 1.1238 1.0132 1.2675 1.3187 0.9958 1.3002 1.4496 1.7194 0.9300 0.9803 1.0233 1.2873 1.4220 0.8418 0.7331 0.9193 1.0992 1.0147 1.2969 0.7152 0.7882 1.0326 0.7429 0.8722 1.6440 1.4536 1.2757 0.9225 0.8783 0.9314 0.8284 0.9185 0.9080 1.0226 1.1953 1.2587 0.7894 0.8126 0.9007 1.3575 1.2791 N-behenoyl-sphingadienine (d18:2/22:0)* 0.8395 1.2307 0.6890 1.0171 0.6699 1.2952 0.8367 1.0283 1.2494 0.9819 0.8455 1.0617 1.0902 0.7539 1.0423 0.8000 1.6089 1.1004 0.4246 0.8867 0.7474 0.9143 0.6346 1.2838 0.8558 0.8538 0.9123 0.8224 0.5550 1.3269 0.6453 1.0245 1.5848 0.8583 0.6440 0.9807 0.9888 0.8560 0.7119 0.9055 1.0852 1.0701 0.8503 0.9329 0.8603 0.5483 1.0967 0.8274 1.1387 0.6992 1.0752 0.4186 1.3658 1.3093 0.8531 0.9372 0.9181 1.1918 0.9799 0.8473 0.8813 0.5482 1.1705 0.9877 1.5047 1.1817 1.2125 1.9593 1.5394 0.8339 0.9970 2.1447 1.7354 1.0030 1.3605 1.5331 0.6498 1.2256 1.1323 1.2552 1.3906 1.0310 1.1649 1.0840 0.8499 1.6555 1.1961 0.7772 1.6641 2.3019 0.9807 0.6846 1.1126 0.8575 0.9419 0.7458 1.2049 1.4696 0.7507 1.6676 1.6481 1.1342 1.5751 2.6249 0.7008 3.5109 N-carbamoylalanine 0.8881 5.2235 2.8028 0.8020 0.3240 0.4267 0.8234 0.9340 1.0640 1.7094 1.1356 1.8436 0.9057 1.9048 3.4395 1.5761 1.5460 1.0664 1.1231 1.2223 0.4905 1.1883 1.8599 0.8277 0.5746 1.0879 1.2278 1.0404 2.2936 0.9301 0.8157 0.8742 1.3142 4.9205 0.9413 2.7776 0.9541 2.2295 1.9218 0.3508 0.6821 0.7397 1.1863 0.8722 0.4083 1.7940 0.3567 1.8943 1.6878 0.8750 1.0422 0.3670 1.3067 0.8262 1.3763 0.7969 0.9824 1.6478 2.1862 0.6763 1.3102 1.1575 0.2251 0.5556 1.4058 0.9293 1.5964 0.9049 1.9219 0.2251 0.7049 2.2332 2.5845 0.2251 0.5574 1.2467 0.4113 1.5485 1.0176 0.6974 0.9235 0.3257 1.1125 0.8106 0.5555 0.6408 0.2664 0.4620 0.4466 2.2785 1.3755 0.9702 0.2251 2.0195 0.5877 0.6628 1.4579 0.5881 1.1374 0.5866 0.6970 0.4949 0.9445 0.2251 1.7479 2.0706 N-carbamoylaspartate 0.8147 0.9028 0.7096 1.6337 0.7074 1.1550 0.6378 1.7648 0.9793 1.3152 0.7238 1.9469 1.3436 0.6272 0.8870 1.7584 2.7025 1.3034 1.0820 0.8919 1.7717 1.4029 0.8985 1.1353 1.1967 1.1435 0.5367 0.5038 1.6214 1.2360 0.6554 1.3110 1.6323 3.3322 0.7918 1.4036 0.7010 0.8309 0.9287 0.8809 0.6362 0.9542 1.0001 0.7585 0.3936 0.7203 0.3762 0.9357 0.7651 0.7865 0.3531 0.8563 0.4388 0.5915 0.6547 1.0108 1.0158 1.1722 1.2514 0.6634 0.8218 0.9289 0.7916 0.8006 1.6707 0.8937 0.5239 1.1717 1.2173 0.8092 0.9999 1.0100 0.8266 0.9848 0.9691 0.9061 1.3239 1.0220 1.1529 1.0138 1.3448 1.2929 0.6733 1.0118 1.1947 1.0433 1.1905 1.3197 1.0546 1.6533 2.0159 1.3078 1.7670 0.9571 1.4577 1.1342 1.2497 0.8690 0.7309 0.6608 1.1870 2.2018 0.7103 1.4739 1.2501 0.6569 N-carbamoylvaline 2.4363 3.1839 1.7940 0.3055 0.5642 0.6864 0.7518 1.0766 0.8649 0.9589 1.0747 1.0526 1.3665 0.3055 1.8185 1.6370 2.1388 1.6871 1.4904 0.8609 0.9961 0.3055 1.2095 0.7087 0.3055 1.2110 0.3055 0.3055 1.9313 0.8150 1.0388 1.3266 1.4187 3.2257 0.6614 1.1469 0.5073 0.9044 1.2378 0.5888 0.5995 0.3055 1.1763 0.3055 0.3055 0.9424 0.3055 1.1612 0.3055 2.4195 1.0039 0.3055 0.8748 0.3055 0.7890 1.5169 0.6655 1.1200 0.3055 0.5104 0.3055 0.7578 0.6751 0.3055 1.1906 1.0423 1.1439 0.6545 2.2443 1.4383 0.8638 0.8106 1.6199 0.7782 0.3055 0.3055 0.5992 1.6845 1.0985 0.6895 0.8382 0.9251 0.6785 1.4604 0.6463 0.5526 0.7691 0.6438 1.1392 1.9318 1.5772 0.4311 0.7847 1.1616 0.3055 0.6940 0.3055 0.3055 0.8028 0.6398 0.6051 0.5404 1.0798 0.9319 1.9645 1.6895 N-delta-acetylornithine 1.0133 1.7467 1.0294 0.9084 1.0894 0.7067 0.6769 0.5068 1.5644 1.3455 0.7590 0.9341 1.9070 0.4326 1.2117 0.6836 2.4693 0.9867 2.6076 0.6544 1.2577 0.8956 0.9700 1.0884 0.3440 1.2659 2.1370 3.6149 0.4296 0.9484 1.3476 0.7219 0.4991 2.1961 0.9334 0.3863 1.6692 0.9140 1.5750 0.6700 1.4004 0.5540 0.5088 0.8442 1.0138 1.3534 0.9827 4.6637 0.9269 2.0952 1.3342 0.6534 2.7433 1.0553 1.1738 1.0950 0.5202 3.1753 0.8274 2.4954 1.4246 0.5925 1.1840 0.5285 1.3436 3.1106 1.9747 2.6307 2.5548 0.6399 0.9443 1.0881 1.4235 0.8190 0.4966 1.4792 0.5816 2.8561 0.6884 0.5623 0.9862 1.0436 4.5868 0.8172 0.5502 0.6537 0.3129 0.5007 1.5604 3.4390 3.6436 2.1414 0.3118 0.5672 0.7676 0.6586 0.4048 1.8866 2.9502 1.8207 1.5116 0.4615 0.4598 0.4667 1.5074 0.7316 N-desmethyl tramadol 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 6.2182 0.1273 0.7095 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 1.2905 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 0.1273 N-formylanthranilic acid 0.8544 1.1070 1.4818 0.9696 0.6492 0.8199 0.8541 0.6996 1.6043 0.7827 0.8489 0.8938 1.5609 0.9209 1.5125 0.7535 0.5759 1.2850 1.2184 3.7483 0.6653 0.3461 0.8607 1.5793 1.0000 1.1400 1.0129 1.3391 0.7574 1.1320 1.1646 1.0871 1.5446 0.4917 1.0508 0.7918 0.7451 0.7607 1.1185 1.2896 1.0831 0.9324 1.0410 0.6714 0.5658 0.4566 1.2164 1.2872 0.9198 2.4820 0.7955 1.9783 0.3731 1.2086 1.0408 1.1144 0.6675 1.5988 0.9509 0.7881 0.7560 1.2383 1.4539 1.4284 1.0153 0.7997 0.6354 0.8206 1.0087 1.0661 1.6575 0.8746 1.2563 0.6630 1.0599 0.8689 0.8141 1.1154 1.6318 0.3461 1.8667 0.5843 1.2657 1.0662 1.3300 0.8385 1.8251 0.5727 0.7382 1.1350 1.4087 1.4271 0.8779 1.1498 0.8163 1.2614 0.6476 0.8646 0.7701 0.6703 0.8245 0.9572 0.6671 1.0210 1.3319 0.7250 N-formylmethionine 1.1922 1.3263 1.2525 0.7459 0.6572 0.8429 0.9294 0.9907 1.1394 1.1261 1.1332 0.9992 1.0627 1.3688 1.0204 1.0606 1.2843 1.1057 0.9697 1.0817 0.8211 0.9343 1.2303 0.8313 0.9294 1.0864 1.0008 0.7904 1.1395 0.9533 0.8132 1.0895 1.0849 1.7784 1.1570 1.0069 0.8376 0.9769 1.2381 0.8201 0.8461 1.0520 0.9326 0.9345 1.3288 1.0733 0.8974 0.9613 0.8153 1.1060 0.8743 1.6506 0.7582 0.8519 0.8840 0.9156 0.6522 1.4550 1.4324 1.0823 0.9797 0.8538 0.9380 0.7780 1.2901 1.1589 1.0104 1.3090 1.0996 1.2043 1.1694 1.3899 2.0466 0.7372 0.7898 0.9802 0.7125 1.4812 0.8584 0.8504 0.8364 1.2028 1.0197 1.1744 0.6767 0.8415 1.0806 0.7017 0.5665 1.6920 1.3011 0.9940 0.8308 0.7184 0.8064 0.8512 1.0086 1.0186 0.8676 1.0976 1.0603 0.6410 0.8816 0.8411 1.3444 1.1904 N-formylphenylalanine 1.5454 1.4402 0.4436 0.5422 0.4436 1.0795 0.7854 0.7435 0.7867 1.0455 1.1869 1.1529 0.5852 0.7990 0.4436 1.1229 0.4436 0.4436 1.5255 4.5181 0.7840 0.8532 1.2379 1.5723 0.7818 1.0586 1.4887 0.9555 0.8400 0.9963 1.1776 1.1358 0.9324 0.9794 0.4436 0.4436 1.0461 1.4167 1.4222 1.0659 1.1671 0.6724 1.3994 0.4436 0.4436 1.6134 1.0037 0.4436 0.7193 0.9603 1.5186 0.7100 0.4436 0.4436 0.8509 0.4436 0.4436 1.3805 0.9137 0.9806 1.1063 0.6506 0.9369 0.8182 1.0816 1.3226 1.0797 0.7263 1.1212 0.7857 0.8490 1.0832 1.6575 0.5481 0.4436 1.0748 0.7388 0.8790 1.0438 0.4436 0.7949 2.0186 1.2758 2.1518 0.6930 0.4436 0.8779 0.4436 1.4990 0.8408 0.4436 1.2064 0.4436 0.8435 1.2782 0.4436 0.5673 0.9732 0.5548 0.4436 1.6372 0.9032 0.4436 0.4436 0.9175 0.4436 N-methylhydroxyproline** 0.1258 1.1913 0.7978 0.1258 0.1258 0.1258 0.3699 0.3999 0.3029 4.8552 1.4515 0.1258 1.4082 1.0506 0.1258 0.8689 0.5665 0.5463 0.1258 0.9985 2.2858 0.3582 0.8681 0.3264 1.7150 1.1204 3.4412 0.3043 3.4055 1.0015 3.1281 2.5699 0.5199 3.8072 0.8516 1.0630 9.6370 0.1809 0.7867 0.9538 1.4145 2.3903 0.3961 0.2429 0.1258 0.5331 0.4044 1.0662 0.1258 5.3348 0.3767 0.5001 0.1258 1.1238 1.1742 0.2523 0.1258 2.5415 0.7426 8.6985 0.1258 0.3240 1.2845 0.1258 0.6177 4.8352 1.3658 0.4792 0.8617 0.1258 1.5822 2.7632 2.9541 0.1258 0.6363 0.3636 0.6019 3.8364 2.4166 0.3314 1.1894 0.9225 4.5915 1.0750 0.1258 0.1258 2.0767 0.1258 6.6525 3.3465 0.6511 1.4260 0.1258 0.5236 0.1258 0.1905 0.1258 2.5999 0.6836 0.1275 0.7079 0.1258 1.3279 0.7921 1.2371 0.1258 N-methylpipecolate 2.5663 13.4872 1.1024 0.5120 0.2330 0.9230 0.6572 0.5456 2.3816 0.2009 1.8675 1.9510 1.1594 1.4214 1.0070 3.8681 2.2568 2.6252 1.1561 2.1381 0.2582 0.3842 2.2640 0.4898 0.6530 0.4899 0.6903 1.5328 0.8488 1.7171 0.3521 2.1244 0.7119 1.2790 0.7993 0.4371 1.0667 1.6411 0.9971 0.5350 0.3670 0.3790 0.4799 1.2018 0.6582 2.6517 1.0049 3.5801 0.8075 3.6528 0.6369 2.4205 0.9487 0.5398 0.7833 0.3802 0.5141 1.6583 2.5318 1.4208 2.3997 2.6730 1.2867 0.7504 1.0029 2.8121 0.5664 1.4217 5.2991 0.7049 1.1465 0.9645 4.1336 0.6362 0.4015 1.1424 0.7202 1.3010 0.9918 1.1944 0.3879 0.4919 0.6287 1.3772 0.5565 0.8669 0.5496 0.5521 0.5612 4.6780 2.6962 3.1318 0.5474 1.8988 1.6753 0.4901 1.1148 0.5022 1.4158 1.5739 0.6985 0.4612 0.4173 0.4901 3.2716 1.0247 N-methylproline 0.6773 1.0027 0.5531 0.4980 0.0980 0.7000 0.4583 0.7689 0.9768 22.1681 1.6943 0.6324 1.4554 0.5263 0.4743 1.5574 0.6484 1.2300 0.5515 1.3140 5.8671 0.4129 1.2729 0.5884 3.5203 3.0274 14.4560 0.5237 2.9563 1.9130 10.7407 8.6713 0.4440 5.2706 2.1894 0.8903 33.7805 0.3956 1.8668 2.0979 7.4800 7.9129 0.7356 0.5978 0.5254 0.6532 0.8225 2.1144 0.4225 5.7939 1.0599 0.4666 0.5369 0.9815 2.3486 0.8664 0.5557 8.5168 1.0058 14.2675 0.8325 0.6017 1.2692 0.1571 1.9485 12.1962 2.3747 0.6029 0.9973 0.3895 4.3336 5.2613 4.4139 0.1538 2.2140 0.2293 0.8312 6.9707 3.1606 1.1095 2.4887 4.7434 9.1457 0.9522 0.2761 0.9195 5.5521 0.3787 19.8075 3.4140 0.7329 2.8673 0.4844 0.9509 0.3631 0.5203 0.4905 6.5838 1.8845 0.9917 0.4124 0.5520 3.1111 1.3433 2.0201 0.8640 N-methyltaurine 5.4116 6.7864 0.2755 0.5444 0.1940 0.1940 0.1940 0.1940 0.3396 0.7451 0.1940 0.1940 0.1940 0.1940 0.1940 0.1940 8.1160 0.1940 0.1940 0.1940 0.2370 0.6391 0.3348 0.1940 0.1940 0.3764 0.3734 0.1940 0.1940 0.8835 0.1940 0.1940 2.5586 0.1940 0.1940 0.1940 0.1940 0.1940 11.3382 0.1940 3.4375 0.1940 0.1940 0.1940 0.1940 9.1315 0.1940 4.8905 0.8371 0.5170 0.6517 0.1940 1.0000 6.9702 0.1940 0.5907 1.1769 0.1940 0.1940 3.6144 3.7945 0.1940 0.1940 0.1940 0.1940 0.9957 0.1940 10.6580 11.0978 0.3486 0.1940 0.1940 3.1636 0.1940 0.1940 0.1940 0.7040 2.1063 12.1381 0.1940 0.3246 0.1940 6.5541 0.1940 0.1940 0.5028 0.1940 0.8350 0.6438 1.5027 0.1940 0.1940 1.9485 0.1940 0.4551 0.1940 1.7336 0.1940 0.1940 0.1940 0.1940 0.8219 2.7410 3.4369 1.2055 0.1940 N-oleoylserine 1.1862 1.3289 0.7417 0.7698 1.0543 1.4171 0.7595 0.4875 0.5862 0.9958 1.0748 1.2974 0.8090 1.0697 0.7474 0.6687 1.1928 0.9856 0.9894 1.2078 1.0314 0.6798 0.7687 0.8115 1.2227 0.6012 0.6552 0.5349 1.5920 0.6819 1.1154 1.2301 0.6841 1.0788 0.8008 0.9590 0.6243 0.6196 1.0042 0.8745 1.2651 0.8727 0.8442 0.9678 1.7622 0.9453 0.5105 0.7688 1.0401 0.7371 1.1810 1.0783 1.2541 1.2694 0.5507 0.8636 0.9565 1.1483 1.2148 0.6429 1.3761 0.9530 1.0813 0.9271 0.4875 1.4735 0.8658 1.3459 1.8875 0.8278 1.7420 2.9609 1.8158 0.5947 1.0310 0.9181 0.5125 1.6054 0.8273 1.4911 1.3744 1.9770 0.5172 0.8774 0.7068 0.8135 0.8283 0.7673 3.3508 1.3302 1.2643 0.8904 1.0928 0.4875 1.1332 1.1735 1.1379 0.9771 0.7284 1.6126 2.1983 1.4952 1.3920 1.1990 2.1824 1.5370 N-oleoyltaurine 1.4722 1.3746 0.7338 0.3920 2.8636 1.1891 1.2736 0.3920 0.3944 0.4138 0.7359 1.7110 0.9313 1.0418 1.3344 1.8375 0.7752 0.5661 0.7356 0.8373 0.8149 0.4489 0.7778 0.7097 0.6551 0.6976 0.4448 0.5988 1.7800 0.4967 0.9079 0.9918 0.5630 0.5040 0.7660 1.2188 0.9814 0.7126 0.9718 0.8455 0.9168 0.9496 0.7384 1.1472 2.1657 1.0608 0.7708 0.7211 0.8719 0.6137 1.0305 1.5491 1.1109 1.9621 0.3920 0.3920 0.7272 1.2221 0.6145 0.7717 1.0082 1.1695 1.6211 0.6665 0.6809 1.3740 0.8679 1.1565 1.4566 0.8930 1.4304 3.5261 1.8013 1.3564 1.2381 1.0719 1.2659 2.0281 0.8707 1.2732 0.7456 1.4096 0.8392 1.3788 0.8297 0.9592 1.2148 1.6679 2.8591 1.3624 1.5567 0.6689 1.1762 0.8467 1.1129 1.1670 0.9441 0.8107 0.3920 1.3727 1.8777 1.7330 1.1960 1.3829 2.0943 1.0541 N-oxalyl glycine (NOG) 0.9586 2.3361 0.7087 0.7687 1.0000 1.5432 1.6974 0.7061 0.9348 1.8910 1.4885 1.0341 0.5317 1.3011 1.5352 0.6198 0.8636 1.5380 1.3874 1.7750 1.3528 0.5772 0.9798 1.3706 1.1145 0.7277 1.3242 1.3897 0.5321 0.6762 1.6304 1.8251 0.6265 0.5659 0.3803 0.3551 1.9889 0.7473 1.5375 0.9217 1.4049 1.5303 1.6451 0.7701 0.6392 0.6510 1.3799 1.2475 1.3030 0.8716 1.3280 0.5444 0.9570 1.3170 1.5039 0.9468 0.6599 0.5585 0.7245 2.3910 0.5638 1.5193 0.4944 0.3155 0.7080 0.7244 2.1064 2.3558 1.8553 1.2590 0.9733 1.0984 2.1897 1.1484 1.2873 1.7599 0.1875 0.9679 0.3538 1.7757 1.0476 0.6909 2.9738 1.1467 0.3953 0.8975 0.5938 0.1875 1.4223 0.4880 0.9016 1.3171 1.4001 1.1390 0.4735 0.5348 0.6626 0.5767 1.2364 2.2976 0.7423 0.8524 1.6088 1.2715 0.6580 0.5160 N-palmitoyl-heptadecasphingosine (d17:1/16:0)* 0.8672 1.3109 0.9984 0.9341 0.6496 1.1610 0.9871 1.0027 1.2082 1.6033 1.4606 0.8623 1.6098 0.8571 0.5698 1.0201 1.4729 1.3359 0.4252 0.8694 0.8470 0.4048 0.7025 1.6855 0.8511 0.9586 0.7691 0.6603 1.3045 0.9021 0.7208 0.8949 1.3861 0.5171 0.7130 1.1119 0.7134 0.5605 0.5628 1.2083 0.9348 1.0156 1.1683 1.0287 0.6686 0.5394 1.3717 0.9258 0.8018 0.6109 0.6221 0.4517 1.3258 1.0998 1.0229 0.7382 0.8955 1.0662 0.7394 1.1200 0.7221 0.4812 1.2670 1.2599 0.9309 1.1882 1.3168 1.0566 1.0016 0.6257 0.6163 1.2573 1.5721 1.4420 0.8830 1.5643 0.8828 1.1645 1.4574 1.4879 1.3014 0.8036 1.0187 1.0458 0.5859 1.4304 1.2235 0.3879 1.2492 1.5856 1.1737 0.6873 0.4710 1.0223 0.9367 0.7342 1.0244 1.2018 0.6658 1.0418 1.4787 0.7790 1.1091 2.1050 0.6344 1.7485 N-palmitoyl-sphingadienine (d18:2/16:0)* 0.6735 1.3643 1.0174 1.1793 1.0719 1.0564 0.7822 0.6791 0.8757 1.3924 1.4571 1.0762 1.6426 1.0024 0.6546 0.9598 0.8355 0.9082 0.3623 1.1154 1.1121 0.9733 0.6536 1.5552 0.7711 0.7205 0.7404 0.8225 0.6522 0.9164 0.8186 0.8832 1.4066 0.9416 0.6973 0.9976 0.7322 0.8626 0.7888 0.7295 0.9235 0.8893 0.9619 1.2497 1.2896 0.9581 1.2417 0.9888 1.0218 0.4805 1.0483 0.8336 1.5140 1.3587 1.5408 0.7243 1.0862 0.8776 1.3419 1.0679 0.6491 0.7417 1.5523 1.4156 1.2049 1.0879 1.3813 1.2812 0.9154 1.0805 1.2133 1.5287 1.8534 1.0207 0.8712 1.6713 0.7017 0.9433 1.0461 1.8373 1.3759 1.0417 0.9100 1.0176 0.5831 1.2576 1.1829 0.5854 1.0984 0.9933 1.2488 0.6215 0.7067 0.9392 0.8658 0.7472 1.1445 1.0589 1.1031 1.4663 1.8268 0.9436 0.8916 2.2054 0.9162 1.6612 N-palmitoyl-sphinganine (d18:0/16:0) 0.9095 1.0458 0.9338 1.3584 1.4540 0.9162 0.8302 0.9026 0.8496 1.5244 1.0688 1.0833 2.6364 1.1795 1.3097 1.0774 0.8858 0.7653 0.5839 0.6109 0.8063 1.1454 0.5794 1.7922 0.7665 1.0729 0.8905 0.7475 0.9908 0.8727 1.0745 1.2163 1.2549 1.2118 0.6029 1.2492 1.1087 1.2874 1.2694 0.8456 0.8137 0.8189 1.0026 0.8666 2.9916 1.2161 1.7347 1.1665 0.7718 0.4613 1.6276 1.2578 0.7555 1.2674 0.9530 0.8496 0.7710 1.4035 0.7065 1.7650 1.0796 0.8322 2.0207 0.7788 1.2640 0.8281 0.8136 1.1248 0.8275 0.7523 0.8078 2.2489 2.1578 1.9104 0.9347 1.1557 1.5685 0.7073 0.8845 1.0082 0.7048 1.1774 1.2357 0.9389 0.8649 0.8825 1.5460 1.1346 0.7538 1.9107 1.0867 0.7446 0.6695 1.0834 1.0744 0.5815 1.2507 1.1848 1.0836 0.9259 0.7683 0.8652 0.9974 1.1373 0.8278 0.9273 N-palmitoyl-sphingosine (d18:1/16:0) 0.9771 0.9268 1.0530 0.9192 0.8713 1.0263 0.9046 1.0656 1.1452 1.2424 1.0853 1.1622 1.4618 0.8075 0.9719 0.9521 0.9987 1.2254 0.6494 0.7831 0.8800 0.7820 0.7478 1.2608 0.7507 1.1081 0.8407 0.9021 1.0993 1.2197 0.7843 1.1089 0.9029 0.7993 0.8767 1.0757 0.8456 1.0151 0.8793 0.9939 1.0013 1.0705 0.7870 1.1256 1.3571 0.9714 1.1201 1.3204 0.7364 0.7184 0.8955 0.8407 1.0030 0.9129 0.9896 0.7954 0.7575 1.2655 0.7879 1.0954 0.9072 0.6565 1.4405 0.9570 1.1081 1.1036 1.1180 1.0109 0.8605 0.7420 0.8994 1.4090 1.3125 1.2544 1.0779 1.0973 1.3154 1.1647 1.0753 1.0948 0.9435 1.0492 1.0364 0.9596 0.8129 1.1419 1.0707 0.9324 0.9891 1.6040 1.0157 0.7683 0.6185 1.0854 0.7780 0.6082 1.0641 1.2452 0.7094 0.7955 1.2155 1.0936 1.1093 1.2610 0.9820 1.6225 N-palmitoylglycine 1.0054 1.8062 0.9089 0.3846 1.6232 1.3667 1.0008 0.4874 0.7358 0.7030 0.7017 1.4651 0.6303 1.0513 1.4592 1.0220 1.0935 0.8269 0.7304 1.2582 1.0091 0.5323 0.7214 0.8416 0.7998 0.5683 0.6849 0.6408 1.3695 0.6414 0.7636 0.9155 0.6388 1.1437 0.6832 0.9265 0.6194 0.5838 0.7965 0.7898 1.1913 0.7099 0.7660 1.0402 1.5607 0.8419 0.8366 1.0807 1.0223 0.7369 0.9337 0.5773 0.9182 1.4754 0.4222 0.6260 1.1408 0.8442 0.7133 1.0004 1.4920 0.9645 1.4764 1.0448 0.9575 1.2612 1.0948 0.9398 1.6341 0.9996 1.2221 3.7945 2.1393 0.7373 1.0413 1.5302 1.0252 1.8236 1.2419 1.3387 1.5139 1.4118 0.8774 1.1965 0.5942 1.0526 0.9744 1.1106 1.5067 1.7123 1.6007 0.9723 0.9511 0.9817 0.9975 1.1929 1.4466 0.7952 0.7688 1.4291 1.6928 1.2345 1.1760 1.5794 1.7707 0.9347 N-stearoyl-sphingadienine (d18:2/18:0)* 0.9736 1.4076 1.3672 0.6868 0.6611 1.3851 1.0175 0.9021 1.1232 0.7937 0.9054 1.4930 0.9429 0.7260 0.7262 1.1193 1.5789 1.4404 0.6181 0.7096 0.8069 0.9673 0.9273 1.2098 1.0254 0.7001 0.9562 1.4649 0.7792 1.3885 1.0775 1.3681 1.0360 0.5249 0.9586 1.1717 0.5887 0.7509 1.0287 0.8707 1.0043 1.3928 0.4825 1.2781 1.4086 0.7315 0.9871 0.9464 0.9521 1.2807 0.5340 0.6333 1.3680 1.0501 1.4084 0.7015 0.9371 1.2051 0.5398 0.8314 0.9763 0.6168 1.3622 0.9957 1.8872 0.9933 1.8269 1.6202 1.5457 0.5747 0.8779 2.3225 1.4130 0.8336 1.3090 1.0047 0.8010 1.3906 1.4464 1.6250 0.8987 1.2830 1.0373 1.4049 0.8032 1.8289 1.2746 1.0612 1.2405 1.5052 0.7852 0.6401 0.8575 0.9237 0.5748 0.4966 1.0397 0.9828 0.3099 0.4676 1.1502 1.0511 1.2497 2.1908 0.6456 2.3885 N-stearoyl-sphinganine (d18:0/18:0)* 0.6455 1.3368 1.1592 0.5213 1.6169 0.7715 0.7510 0.5450 0.3747 0.7099 0.5497 1.0215 2.6073 1.5713 0.8708 1.5159 0.8227 0.4465 0.8715 0.5465 1.1002 1.3440 0.5551 0.8900 1.5787 0.6697 0.4807 0.4005 0.9285 0.4097 0.7797 2.0123 1.9955 0.8143 0.6171 2.0123 0.4821 1.2951 1.1052 1.0819 0.4745 1.2289 1.1367 1.6862 5.5046 1.4546 1.3044 0.9785 0.7107 0.4118 1.6172 1.3259 0.4517 1.3355 1.0931 0.5011 0.9282 1.9366 0.4196 2.0358 1.1919 1.3788 2.5923 1.2491 2.2125 0.6209 0.8658 1.3137 0.9138 0.8138 0.7194 2.1190 2.1156 1.2960 1.3031 1.2365 0.7379 0.6367 0.8759 1.1839 0.6050 1.4921 1.4695 1.6770 0.9682 0.6278 2.8212 2.0245 0.9754 1.0481 1.2820 0.7680 1.1900 1.2461 1.6164 0.8283 1.3876 1.0489 0.8563 0.3877 0.7233 0.6915 0.8523 1.3153 0.3447 0.6986 N-stearoyl-sphingosine (d18:1/18:0)* 0.6906 1.4068 1.1899 0.8531 0.7697 1.3384 0.7593 0.9439 0.9038 1.0782 0.7997 1.0189 1.2537 0.9751 0.6015 0.8793 1.3133 1.1213 0.5885 0.6743 0.8196 1.0330 0.7170 0.9802 1.1766 0.6150 0.7461 0.7362 0.9112 1.0275 0.7975 1.3519 1.1834 0.7548 0.9224 1.3798 0.6455 0.8994 0.9704 0.7792 0.7202 1.2683 0.8915 1.3817 1.7812 1.1014 1.2671 0.9130 0.8675 0.9031 0.9925 0.8073 1.2629 1.2451 1.0872 0.6885 0.8708 1.1994 0.7632 1.2576 0.8023 0.9336 1.4517 1.0055 1.5500 0.9585 1.5576 1.3301 1.0644 0.6680 0.8986 2.1443 1.3415 1.1105 1.1456 1.2483 0.7849 1.0133 1.1211 1.2993 0.9211 1.0766 1.0007 1.1945 0.7380 1.3823 1.4108 1.1546 1.1519 1.4931 0.9993 0.7469 0.8855 1.1314 0.9481 0.5718 1.2721 1.1573 0.5043 0.7538 1.4059 0.7765 1.0162 1.7797 0.5159 1.6100 N-stearoyltaurine 0.6307 1.1443 0.4592 0.4592 1.3084 1.2791 0.7113 0.4592 0.4592 0.4592 0.4592 0.4592 1.1537 0.8427 0.4592 1.0834 0.4592 0.4592 0.4592 0.4592 0.4592 0.6996 0.4592 1.4965 0.7364 0.4592 0.4592 0.4592 1.1295 0.4592 0.4592 0.8434 1.4045 0.4592 0.4592 1.5807 0.4592 0.8040 0.9071 0.4592 0.4592 0.4592 0.4592 0.7270 1.1692 1.1318 0.4592 0.4592 0.6722 0.4592 0.5076 0.4592 0.8503 3.2530 0.4592 0.4592 0.4592 1.3808 0.4592 1.1787 1.3379 0.7259 1.1385 0.4592 0.4592 0.4592 0.4592 0.7538 0.4592 0.6863 0.4592 2.5870 1.4866 1.2579 0.7531 0.4592 1.8346 0.8718 0.4592 0.4592 1.1659 0.9528 0.4592 0.8954 0.8606 0.4592 1.5542 1.3930 2.0682 1.7322 0.8343 0.4592 0.6266 0.6207 1.3988 0.4592 1.1614 0.8448 0.8858 0.4592 1.6249 0.4592 1.0000 0.8562 0.4592 0.8118 N1-Methyl-2-pyridone-5-carboxamide 1.0016 4.3574 0.9031 0.7363 0.4758 0.6709 1.8003 0.6493 0.9003 2.1556 1.3399 2.1996 0.5135 0.7764 1.4892 0.4838 2.0737 0.8341 1.3616 0.9511 0.6646 0.4416 1.4452 0.4769 0.8627 1.1310 6.4240 1.5957 4.5784 0.4262 0.5404 2.3295 1.2919 1.5252 0.8394 0.2595 0.4810 1.8868 1.9229 1.2941 2.0269 0.7932 1.3707 0.4451 0.7501 0.9984 0.5295 2.0744 0.5486 1.6754 1.8947 0.5420 2.0716 0.9886 0.9336 1.1934 0.4954 1.3922 0.7563 0.5204 1.2822 1.5935 1.0358 0.9335 0.6439 1.4808 1.6589 0.8989 2.7547 1.2401 0.8749 1.5452 2.0198 0.5781 1.2044 3.7622 0.5950 2.2214 1.0102 0.6069 0.5062 0.9933 4.1798 2.5358 0.8299 0.8376 0.8462 0.2946 0.9767 1.2887 0.9832 2.3967 2.1238 0.9978 1.3663 1.0519 1.2332 0.7638 0.7864 0.7590 1.9082 0.3391 0.6961 1.1255 1.5320 1.5564 N1-methyladenosine 1.0102 1.3943 0.9432 0.8891 0.7771 0.9662 0.9380 1.0350 1.0920 0.9629 0.8397 1.1752 0.8944 1.1326 1.0935 1.4046 1.4003 1.1437 1.1200 0.9396 0.9425 0.8639 1.0888 0.8702 0.8584 1.0892 1.1216 0.7514 1.3549 1.1530 0.8965 0.9442 0.8902 1.9100 1.0649 0.8430 0.8401 1.1213 1.2200 0.8713 0.7916 0.9696 0.8114 0.8291 1.3048 1.0210 0.9637 1.1332 0.9215 1.2509 0.9230 1.0302 0.9638 0.9940 0.9263 1.0416 0.9533 1.3361 1.1933 0.9612 0.9647 0.9522 0.9208 1.0827 1.3435 1.1316 0.8999 1.2267 1.2842 1.1995 1.2752 1.3810 1.4119 0.7782 0.8999 1.0092 0.8589 1.1531 1.0948 0.8144 0.9281 1.2772 1.0060 1.2233 0.9269 0.8138 1.1625 0.8049 1.0652 1.3450 1.0584 1.2973 0.8977 0.9822 1.1241 0.9788 0.9050 1.0793 0.8255 1.2536 1.1221 0.8548 0.9147 0.8455 1.0487 0.9934 N1-methylinosine 1.2916 1.3842 1.3303 0.7992 1.0450 1.1350 0.7452 1.2009 0.9300 0.4631 0.9644 1.5201 0.9088 1.2261 1.1400 1.3726 1.2754 1.2709 1.1996 1.0661 0.7344 1.2471 1.3120 1.0352 0.8877 1.4480 0.3063 0.8643 1.7927 1.0100 0.4866 0.7040 1.5245 2.1348 0.8649 1.1337 0.2176 0.9900 1.0821 0.4937 0.2469 0.7120 1.2183 1.1245 1.7170 1.2962 0.9265 1.5423 1.0728 0.6735 0.6665 1.3086 0.9531 0.8418 0.7367 0.9002 1.0696 0.9055 1.8255 0.3332 0.9701 1.0276 0.6422 0.9778 1.6834 0.7416 1.0755 1.6690 1.8392 1.9074 1.1413 0.9897 1.1946 0.7805 0.7923 1.3321 0.6123 0.8444 0.6171 0.9618 0.7472 0.7972 0.8243 1.2509 0.7728 0.7727 0.5912 1.0104 0.3044 0.9576 2.7396 0.8629 1.2865 1.2166 1.0315 0.9249 1.1615 0.4897 1.0222 1.1375 1.3347 0.8935 0.6426 0.5910 1.8821 0.8688 N2,N2-dimethylguanosine 1.2343 0.5861 1.0267 0.7693 0.6991 1.0628 0.7212 1.0924 0.9590 1.1110 0.9651 1.3145 1.0879 0.9285 1.2534 1.2359 1.5677 1.1450 0.9463 1.1456 0.8556 0.9554 1.1896 0.8982 0.8627 1.3814 0.9667 0.6680 1.8087 0.9219 0.7143 1.2131 0.9591 3.2052 0.9646 0.9236 0.8241 0.8680 1.2283 0.8516 0.5612 0.8526 0.9458 0.8366 1.4082 1.0307 0.9144 1.2705 0.9206 1.2398 0.9046 1.0780 0.8987 0.8190 0.9969 1.1000 0.9016 1.3687 1.3044 0.8764 1.0818 0.8768 0.9736 0.9536 1.6198 1.1615 1.2056 1.6354 1.7542 1.5002 1.3337 1.5422 2.2465 0.8028 0.8821 1.2845 0.7647 1.5676 1.1099 0.9544 1.0295 1.1627 1.0385 1.2660 0.8848 0.8487 1.0250 0.8646 0.7123 1.7490 1.5515 1.2296 1.0031 0.9467 0.8551 1.1004 0.9111 1.1068 0.8735 1.1423 1.1693 0.8485 0.8272 0.8565 1.6677 0.9024 N2,N5-diacetylornithine 0.9295 1.9165 1.6610 0.4788 2.2371 0.3517 0.8712 0.6600 0.9702 1.1285 1.6043 0.5311 0.6694 0.2978 0.6648 0.4232 2.1935 0.8738 1.4883 1.9135 0.2978 0.8870 0.4619 0.2978 0.3921 1.0397 1.0125 1.7672 0.7930 0.8104 1.7825 1.7037 0.8636 2.2406 0.2978 0.3353 1.1868 1.3245 0.8335 0.2978 0.4735 0.9614 0.3717 0.9053 1.8695 3.0146 0.2978 3.0043 0.6524 1.3722 0.7566 11.2412 2.7097 0.7355 0.8990 0.2978 0.3131 4.0683 0.5354 1.7520 1.1931 0.8408 1.3181 0.5831 0.7402 3.3887 0.8902 2.0460 1.3865 1.6543 0.6349 0.4266 1.2825 0.2978 0.6695 0.7143 3.2609 1.8242 0.7888 0.3851 0.6001 1.1949 2.5105 1.3603 0.2978 0.8442 0.7528 1.2756 1.5332 3.2050 4.4399 1.1739 0.5237 0.6154 0.4482 0.6212 0.9162 1.0000 2.1771 1.0502 1.0567 0.2978 1.2357 1.0205 3.3877 2.1586 N2-acetyl,N6,N6-dimethyllysine 2.0817 4.0279 1.0000 0.2966 0.1188 1.0812 1.0154 0.5512 1.4232 0.1188 2.9792 1.3404 0.1188 1.1150 0.1188 2.5608 0.1567 1.9252 0.1188 2.6739 0.1188 0.1188 1.1098 0.3529 0.4620 0.1188 0.1188 0.9877 1.6405 2.4283 0.8310 4.1911 0.6373 0.3762 0.1188 0.6997 2.7223 0.4719 0.2732 0.1188 0.1188 0.4532 0.1188 1.5113 0.1188 3.0535 0.9842 2.4914 0.2471 1.8473 0.1188 3.3456 0.3453 0.1188 0.2231 0.1188 0.2572 0.1188 1.9693 1.4079 1.2099 2.0780 1.0835 0.1504 0.3042 2.0017 0.1188 0.3081 2.9170 0.6575 0.2048 0.4349 2.7083 0.1188 0.1339 0.1188 2.6848 0.3899 0.5044 1.5148 0.1188 0.3579 0.2854 0.8898 0.1188 2.0481 0.9664 1.9607 0.3228 4.0184 2.9104 1.4204 0.5713 3.1635 0.7731 0.1188 1.1139 0.1188 1.3188 0.4594 0.1188 0.3690 0.4912 0.4887 5.2630 0.6524 N2-acetyl,N6-methyllysine 1.9916 1.4443 1.3245 0.0770 0.0605 0.8185 1.0000 1.0000 1.7991 0.0605 2.6991 0.9596 0.0605 0.6117 0.2950 1.7805 0.0605 1.6939 0.1724 4.9000 0.0605 0.0605 1.0333 0.1829 1.1479 0.3331 0.0605 1.1587 1.3890 4.1232 1.2423 4.8879 1.1982 0.3286 0.0605 0.5652 2.6886 1.2554 0.2994 0.0605 0.2483 0.7004 0.2495 1.4640 0.3875 4.3544 0.7015 1.0704 0.3374 1.2573 0.0605 4.6534 0.2810 0.2374 0.1537 0.0605 0.2614 0.3277 1.4853 1.1729 1.6479 1.7888 0.9984 0.2045 0.1456 3.4569 0.1192 0.3060 1.5069 1.4089 0.3843 0.0605 1.8165 0.0605 0.5439 0.0605 4.1352 0.5115 0.6857 0.5956 0.0605 0.4532 0.0605 1.1489 0.1224 3.2112 1.0570 2.5204 0.5450 1.9217 2.4884 1.0970 1.2925 2.8035 0.9344 0.1778 1.6494 0.2055 1.2536 0.9070 0.1541 0.4858 0.6485 0.9844 4.3771 1.7609 N2-methylguanosine 0.6998 0.8402 0.6998 0.6998 1.0438 0.8742 0.6998 0.9208 1.0708 0.6998 0.8324 1.0804 0.6998 1.2603 0.7679 0.9474 1.2853 0.9649 0.6998 1.1624 0.6998 1.2408 0.6998 0.8977 0.6998 0.9383 1.1032 0.6998 0.9111 1.0035 0.6998 1.1531 1.0506 1.0524 0.7255 1.1506 0.8289 0.6998 0.8081 1.0803 1.0021 0.8413 1.0470 1.0665 1.0339 0.9734 0.8772 0.9619 0.6998 1.1744 1.0288 0.6998 0.8632 0.8612 1.1637 0.6998 1.1518 0.6998 1.2023 0.9310 0.7308 0.9342 0.9295 1.0784 0.6998 0.8197 0.9149 1.1008 1.0629 1.0981 1.0496 0.8823 1.2598 0.6998 0.6998 1.0597 0.6998 0.8873 0.8541 1.2592 0.6998 1.1460 0.9486 0.9256 1.0859 0.8491 1.0954 0.8108 0.9979 0.7672 1.0341 1.0231 0.6998 0.9330 1.0342 1.0263 0.6998 0.9001 0.9688 1.0476 0.9522 0.6998 0.9584 1.0444 0.8830 1.2160 N4-acetylcytidine 1.2075 2.1695 0.8805 0.4379 1.0370 0.6597 0.8406 0.8710 0.7180 1.6424 1.1607 1.3781 1.2672 1.6669 1.6938 1.5132 1.0397 0.8611 1.2371 1.0217 0.6389 1.4561 1.2866 0.9388 1.1698 0.8797 0.7098 0.3657 1.8987 1.6914 0.5603 1.0063 1.2363 2.6718 0.4880 1.0715 0.8890 1.2784 1.0585 0.7029 0.3454 0.8745 1.1313 0.9373 1.0996 1.4681 0.7176 1.6785 1.4572 0.9569 0.4239 1.2633 0.6935 0.8275 0.7943 0.5674 0.5732 0.8397 1.3846 0.8984 0.8791 0.9709 1.1156 0.5797 2.2580 0.9937 1.6545 1.1067 1.3356 1.4512 1.7539 1.1897 1.9578 0.6029 0.6243 0.9189 1.1873 1.2414 0.5586 2.0429 0.6173 0.5416 1.2382 0.8561 0.6353 0.9123 1.1047 1.2243 0.9653 2.7824 2.7540 0.6452 1.2298 1.2491 0.5603 0.8325 0.9671 1.4634 0.8318 0.7025 1.2466 0.8403 0.7005 0.5213 1.1615 0.8327 N6,N6,N6-trimethyllysine 1.3448 13.0353 0.3792 1.0560 1.3306 0.6908 0.3485 0.5475 0.5493 1.2706 0.5794 1.3667 0.5716 0.3475 0.4875 0.5451 0.8197 1.3138 1.4175 1.2149 0.4174 1.6792 0.7142 0.3915 0.4591 0.3937 1.1133 1.6012 1.6100 0.5775 0.5290 3.0208 0.4200 2.2153 0.4008 0.4511 0.4854 1.0591 0.5427 0.8602 0.9439 0.3729 1.5479 0.4305 0.5181 0.8116 2.6365 1.0663 1.3643 0.7656 0.8994 0.2619 1.8840 1.9319 0.3502 0.6810 0.3617 0.3981 0.5315 0.6146 2.0198 1.2243 0.9577 1.2015 0.9309 1.3123 1.1111 0.4640 2.0949 0.8003 1.1760 1.9483 0.8417 3.0567 0.8297 0.6345 3.8254 1.0831 0.8463 0.8239 1.4234 1.5243 1.2529 1.0240 0.7762 0.9760 2.1220 0.6831 1.3282 0.7666 1.3699 1.3443 0.5864 0.7913 1.3278 1.2925 1.2689 1.4460 1.0828 1.4186 1.5294 1.0757 1.2517 1.2216 2.7300 1.6219 N6,N6-dimethyllysine 2.4719 5.7896 0.6664 0.9228 0.7329 1.7292 0.6450 0.8351 1.7860 1.0106 1.9016 2.5995 0.8027 1.3268 0.5718 2.2357 0.6066 2.6074 0.8189 2.1073 0.5584 0.7121 1.9623 0.5945 0.7199 0.8021 0.7665 1.9072 1.0929 1.7127 0.6561 2.8843 0.6952 1.6766 0.7888 0.6969 1.5352 0.7775 0.7995 0.8254 0.7710 0.4996 0.6786 1.8120 0.6370 1.8199 1.6702 2.7801 0.9309 2.2633 0.7233 1.4762 0.7944 0.8456 0.6609 0.6036 0.7439 0.6831 1.9892 1.7902 2.1139 2.2111 1.9277 0.9494 1.0492 2.2097 0.8994 0.7372 3.2536 0.9406 1.0864 1.1062 3.0022 1.7077 0.7622 0.8493 1.6125 1.0358 0.9894 1.8067 0.8335 1.0619 0.8677 1.0630 0.7023 1.5403 0.8603 1.2875 0.8541 3.5274 3.5339 2.3792 0.8669 1.8624 1.9106 0.8029 1.3451 0.9328 1.8969 1.8041 1.0528 0.9810 0.8367 0.8457 3.9708 0.7895 N6-acetyllysine 0.9189 1.5075 1.0981 0.9142 0.7671 0.7304 0.8913 1.1437 0.9961 1.0438 0.9248 1.0369 0.9808 0.7301 1.2818 1.1589 1.0054 1.0753 1.3240 0.7722 0.8535 0.7572 1.3615 0.9771 0.7748 1.2042 1.0539 1.0583 1.0596 1.2425 1.1527 1.0028 0.7269 1.6431 1.0770 0.7353 1.0808 0.7888 0.9692 0.8890 1.0246 0.9490 1.0421 0.6918 0.9618 1.0073 0.9440 1.1823 0.8521 2.1203 0.6570 1.3796 0.8323 0.7294 1.0903 1.1991 0.9052 1.3790 0.8949 0.9964 1.4707 0.8548 0.7201 0.9077 1.3742 0.9037 0.9410 1.2309 1.4118 1.4169 1.2152 1.2256 1.0722 0.9972 0.8541 1.0210 1.0774 1.4139 1.1140 0.6098 0.7208 1.1542 1.2505 1.3486 0.8160 0.7511 0.8492 0.7167 0.6056 2.5491 1.0951 1.2137 0.6616 1.0294 0.8812 0.7828 0.8172 0.9191 0.8364 1.0067 1.1003 0.8978 0.9110 0.9688 1.2743 1.1336 N6-carbamoylthreonyladenosine 1.0325 2.0612 0.9422 0.8438 0.7429 0.9402 0.7968 0.9077 1.0287 1.4435 1.0039 1.2413 0.9327 1.1502 1.0770 1.3263 1.5446 1.1710 0.9331 1.0430 0.8654 1.1035 1.0796 0.7434 0.6897 1.1182 0.9158 0.6988 1.6547 0.8883 0.8788 1.2250 1.1295 3.4181 0.9507 0.9952 0.6998 1.1730 1.4282 1.0074 0.6335 0.9594 0.9433 0.7184 1.5551 1.6609 0.5828 1.1980 0.7954 1.6291 0.9037 0.8120 0.9835 0.7900 0.8735 0.9824 0.9903 1.3008 1.2146 1.0745 1.1067 0.9210 0.8369 0.7495 1.4541 1.1701 0.9187 1.5165 1.3792 1.4393 1.2538 1.3357 1.8547 0.6512 0.9340 1.0668 0.7667 1.3343 0.7480 0.8046 0.9710 1.1952 1.0569 1.1662 0.6702 0.7616 0.8578 0.6272 0.8260 1.9013 1.7639 1.2585 0.7536 0.8349 0.8752 1.0568 1.0190 0.8998 0.9285 1.0083 1.3424 0.8690 0.9984 1.0636 1.5916 1.0016 N6-carboxymethyllysine 1.2522 2.9331 0.8815 2.1907 0.5185 1.1181 1.2810 0.2484 1.3600 1.4380 1.5376 0.5467 2.0439 1.7152 0.2484 0.8116 2.4428 1.1859 0.7043 1.0782 1.1484 1.0233 0.2484 0.8952 0.5504 1.8553 0.9588 0.4554 0.2484 1.7052 1.0191 0.7930 1.2056 3.8947 0.2484 1.4752 0.2484 0.9022 0.2484 0.2484 0.6017 0.9711 0.8760 0.2484 1.0319 3.2503 0.5297 0.2484 0.9737 0.9660 0.8275 0.6352 2.6895 0.2484 2.3476 2.0543 0.6636 0.6861 1.8075 1.4994 0.2484 1.0683 0.7220 0.8508 2.2039 0.8569 1.7063 2.9966 0.2484 4.6594 0.6349 0.2484 1.7699 0.7591 0.2484 1.1241 0.8219 1.0309 1.6179 0.3235 0.2484 0.2484 0.2484 0.2484 0.2484 0.2582 0.7718 0.2484 0.7932 5.2415 1.1047 0.8609 0.8516 0.2484 1.0799 0.3781 0.2484 0.4030 0.2484 0.6144 0.7895 0.5159 0.7744 1.0932 0.9809 0.2484 N6-methyllysine 5.0729 6.0093 0.7426 0.6922 0.8458 1.7546 0.7106 0.7327 5.2303 0.4745 2.8036 2.6173 0.9842 2.3356 0.6408 4.0262 0.3606 3.4443 0.6748 4.2344 0.4222 0.5138 2.7677 0.5123 1.0397 0.7647 0.4825 2.5475 0.6170 4.3616 0.7444 3.5500 0.7483 1.0925 1.0999 0.9617 2.2806 0.8342 0.8645 0.8493 0.7505 0.4897 0.5245 4.4200 0.7101 3.2782 2.4453 3.0099 1.0110 2.8047 0.8567 3.3094 0.7193 0.9911 0.6322 0.4620 0.9781 0.8957 4.0737 2.5963 5.0018 2.9722 3.5587 0.9373 1.0318 4.7091 0.6604 0.9514 4.0358 0.9856 1.3082 0.9136 3.9944 1.0089 0.6517 0.9868 2.7690 1.0966 0.8725 1.8800 0.7651 0.8904 0.7110 1.0136 0.7954 2.7463 0.5957 2.1186 1.0099 3.8577 5.0762 3.3733 1.1101 3.0035 3.3253 0.6900 1.2398 0.7461 2.9798 3.0009 0.7897 0.9579 0.6894 0.5337 3.2884 0.9001 N6-succinyladenosine 0.7485 2.1253 1.2121 0.5550 0.6392 0.5550 0.8745 1.2197 0.9709 0.8865 0.7917 1.0139 0.5550 0.8879 0.6986 1.7894 1.9073 0.5550 1.3891 0.7615 0.5550 0.5550 0.6716 0.5920 0.5550 0.6593 0.6912 0.5550 1.8255 1.0742 0.5550 0.7131 0.8024 2.1435 0.9401 0.5550 0.5550 0.6256 1.0671 0.8824 0.5550 1.5201 0.5550 0.7533 1.8683 0.5550 0.5550 1.8122 0.5550 1.6759 0.5550 0.5550 0.6051 0.5550 0.7386 0.6669 0.5550 1.7398 0.6161 0.5550 0.5550 0.5970 0.5550 0.5550 1.4770 1.0000 0.5550 1.6800 1.7648 0.8586 1.5762 1.3606 2.0314 0.7360 1.1105 0.5550 0.8481 1.5858 1.5740 0.5550 0.5550 0.5550 1.2225 1.4812 0.5550 0.5550 0.5550 0.8508 0.5550 2.3700 1.9175 1.2229 0.5550 0.5550 0.5550 0.5550 0.5550 0.5550 0.5550 0.5550 0.5550 0.9817 0.7641 0.5550 1.6798 0.5550 naproxen 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 nervonate (24:1n9)* 0.8802 0.8166 0.9634 0.1460 0.1308 1.0638 1.0819 0.6325 1.3922 0.6681 0.0099 1.9664 0.0317 0.8393 1.5095 0.9875 1.2396 1.1510 0.7036 0.3839 0.0545 0.0099 1.0363 0.3097 0.1009 0.9988 0.9081 1.8120 1.1660 1.1862 1.5047 1.3030 0.0436 0.8685 1.1997 0.7483 0.7322 1.2980 1.2778 1.4821 1.9010 0.8192 0.1970 0.1683 1.3802 0.0877 0.0099 0.9273 0.9444 0.9355 1.2889 0.2362 0.9741 1.5448 0.1859 1.4986 0.7074 1.7528 0.0701 0.2606 1.3471 0.1294 1.9873 1.2426 0.9022 2.1669 0.0099 0.1977 1.3832 0.6532 1.2987 4.0095 0.4540 2.0263 1.2000 0.0239 2.4177 2.0096 1.3840 0.3601 1.3295 1.9188 0.9179 1.2819 1.2227 1.0000 0.4815 1.3621 2.9163 2.8252 0.0307 1.0574 0.6788 1.1299 0.4008 0.9067 1.2800 1.4596 0.4482 0.8295 2.4692 1.7337 1.9893 0.1711 1.4047 1.5517 nervonoylcarnitine (C24:1)* 0.7145 0.5611 0.3937 0.3937 0.3937 1.0038 0.3937 0.3937 1.7249 0.3937 0.3937 0.6053 1.5004 0.4427 0.3937 0.3937 0.9670 0.3937 0.3937 1.2440 0.6568 0.7879 0.4338 0.3937 1.1388 0.3937 0.8549 0.3937 1.2445 0.7181 0.3937 0.6546 0.3937 1.1218 0.9927 0.6107 0.3937 1.1235 0.6115 1.0234 1.0343 0.3937 0.7856 0.9633 1.7120 0.8717 0.3937 0.5852 1.2483 0.8620 1.0420 0.6449 1.3847 0.9632 0.3937 1.1551 0.5259 1.5148 0.6640 0.3937 1.0854 1.0017 1.3170 1.1070 0.7156 1.1812 0.7177 1.1025 1.1551 1.0624 1.7582 1.7091 1.5196 2.0633 0.7958 1.3066 0.6730 0.8821 0.5913 0.9877 0.8025 1.4457 1.3007 0.8984 0.7449 0.3937 0.9983 1.2399 0.9867 1.5270 1.3830 0.8788 0.3937 0.7327 0.9192 0.7023 1.2138 1.4460 0.3937 0.3937 1.7458 1.3827 0.3937 1.2089 1.5238 0.3937 nicotinamide 1.2441 0.6500 0.4923 0.9259 0.8840 0.5969 0.9812 0.7009 0.9850 0.9585 0.3972 0.8054 0.8606 2.8073 0.9862 1.4390 0.4808 0.5715 0.7947 0.9060 1.3829 1.1124 0.7732 1.1547 0.9996 1.2975 1.0748 0.6134 1.2075 0.6229 0.4836 1.3054 0.8416 1.0153 1.1227 1.3332 0.8455 1.2586 0.6872 0.9429 0.4889 1.1760 1.7857 0.6589 1.2406 0.7943 0.6826 0.5344 1.4373 0.4991 1.0707 1.0000 0.8451 1.1431 0.9828 0.6953 0.8734 0.7851 1.0988 0.9362 1.1282 0.6150 1.0910 1.3610 1.1857 1.0159 0.7880 1.2144 1.1578 0.6853 0.7016 1.1113 1.0311 0.6549 1.3028 1.4716 0.7207 0.8552 1.0294 1.3967 1.0531 1.3564 1.1100 1.4386 1.1563 0.7118 1.8643 1.4772 1.6927 0.9804 1.0840 0.9732 1.3155 1.0317 0.3972 0.9213 1.0398 1.4074 1.3661 0.8928 0.8940 0.9332 1.4799 1.2790 1.0175 2.1857 nisinate (24:6n3) 0.5933 0.6853 0.3243 0.5279 5.3978 1.3328 1.0149 0.1597 0.7088 0.1585 0.5530 0.1585 0.8169 0.3736 1.3924 0.1585 0.4845 0.4622 0.3149 1.3961 0.3312 0.9851 0.6070 1.4450 1.2835 1.1699 0.5119 0.7368 0.8475 1.3412 1.5376 2.1831 0.6185 0.3360 0.7103 1.9135 0.2495 0.3725 1.0753 0.1585 0.8280 1.0980 2.1100 1.2987 3.0319 2.6497 0.8569 0.4993 0.7796 0.4661 2.6882 5.7046 0.7117 3.1554 0.3281 0.8188 0.8240 1.8958 0.5287 1.3663 1.2935 0.9000 3.9269 1.2585 0.1585 1.1083 1.2686 0.1585 0.2950 1.3544 1.3498 7.3696 1.0339 0.1585 1.1384 1.4846 5.3785 1.4193 1.1521 0.6117 0.4919 0.1585 2.4087 1.4310 0.7602 0.2368 1.5818 3.9269 1.8659 3.8454 1.0919 2.0403 1.1563 0.6389 1.3425 0.5895 0.7593 0.2982 0.5282 0.8489 0.1585 1.7845 1.1031 0.8713 0.7583 0.3352 nonadecanoate (19:0) 0.9832 0.7477 0.9294 0.4214 1.2266 1.0977 0.9731 0.5248 1.0790 0.4850 0.8876 1.2870 1.2923 0.7022 1.7143 1.0904 1.1489 0.7681 0.7412 0.6704 0.6756 0.5105 1.0171 1.1560 0.8119 0.5339 1.0105 0.9706 1.0573 0.8263 1.2464 0.7740 0.6417 0.7838 0.8303 0.9880 0.9946 1.0072 1.0172 1.2198 1.2190 0.7714 0.7892 0.8709 0.9890 0.9422 1.0854 0.8747 1.0891 0.8642 0.6951 1.0583 0.6785 1.0054 0.5541 1.1864 1.0503 1.2246 0.7993 1.0678 1.1333 0.9027 1.0948 0.9673 0.7424 1.3316 0.8234 0.7164 0.9054 0.6847 0.8335 1.8197 0.8539 1.2698 1.5167 0.8338 1.8924 1.9580 1.5090 0.8533 0.8107 1.7702 1.2351 1.3560 1.1375 1.0296 1.1403 1.4005 2.3893 2.2014 0.9678 1.0247 1.1768 1.0627 0.6295 1.2911 1.0891 0.8973 0.6670 0.8959 1.5458 1.1850 1.2256 1.7469 1.2337 0.7252 nonanoylcarnitine (C9) 0.9549 0.2687 0.8905 0.2047 0.3479 0.6996 1.8540 0.2131 1.3456 0.2047 0.3273 0.8123 1.3560 0.7342 0.3530 1.0542 1.1186 0.6344 0.5559 0.2047 1.4135 0.4547 0.5025 0.4314 0.5691 0.3394 0.7009 0.6209 1.2460 1.9500 0.4571 0.5176 0.9457 0.8582 0.9154 0.4451 1.5852 1.4732 0.8324 0.5552 1.1162 0.4858 0.7704 1.6730 0.9348 0.2047 0.3606 1.0738 2.2014 0.6547 1.1488 0.4075 1.1982 2.7712 0.2875 0.7916 0.8576 1.6940 1.0074 1.5793 1.3461 0.9926 1.1308 2.1341 0.4892 0.2047 1.6658 1.0635 1.1593 1.1718 1.1675 1.0487 1.7541 1.0572 0.8768 0.7334 0.3230 1.3734 0.9395 0.8307 1.1132 2.1915 1.3923 1.5630 0.7849 2.1749 1.0894 0.9833 2.5613 0.7439 1.5663 1.2714 1.1887 0.6746 1.5233 1.2222 3.3460 1.8875 0.5268 0.8329 2.5510 0.6577 1.8417 1.1582 1.5501 1.1227 norcotinine 0.4754 1.2425 1.5349 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 2.8536 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.5808 0.4754 0.4754 0.4754 0.4754 0.9344 0.4754 0.5855 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 1.0656 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 0.4754 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 o-cresol sulfate 0.8025 8.3698 8.0488 0.1141 0.1141 0.1141 2.5532 0.7970 1.2876 0.2363 2.1027 1.0672 1.4675 50.4927 3.2537 1.1545 0.8596 0.5790 0.7468 0.1856 0.3023 0.6492 1.3123 1.1842 1.7677 1.1030 0.7614 1.1413 0.7246 0.4616 0.5640 2.8355 0.6252 6.7212 0.7047 1.3315 1.7749 9.2677 0.6520 3.2375 0.2439 4.8851 1.0210 5.8371 1.3419 4.9514 0.1141 0.3533 0.8898 0.4176 1.0645 0.1141 4.9403 0.6774 0.2937 1.9204 0.3748 0.7226 3.7329 9.1986 1.5655 2.4035 0.1141 0.3046 1.2963 2.2693 1.7052 0.4055 0.8088 2.2028 0.1686 0.4555 1.0000 0.1141 0.1141 0.1141 1.3778 1.4059 0.5734 0.1141 0.2402 1.2530 0.8583 0.1843 1.0156 0.5261 0.4645 3.4555 2.2066 4.0618 0.6337 0.3574 0.1141 6.3117 0.1141 0.2132 0.3330 0.3158 0.3588 0.2289 0.5020 0.2854 0.4358 1.0509 0.8055 1.5083 O-desmethyltramadol 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 1.3645 0.1335 1.9507 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.6355 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 0.1335 O-desmethyltramadol glucuronide 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 1.4486 0.1241 1.9887 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.5514 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 0.1241 O-desmethylvenlafaxine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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-sulfo-L-tyrosine 1.0192 2.7693 0.7648 0.9622 0.5091 0.8672 1.1168 1.1444 1.3276 1.2862 0.9279 0.9689 0.9899 0.8460 1.0266 1.7953 1.9376 1.0203 1.1906 0.7307 0.9033 1.0486 0.8903 0.6687 0.7321 0.9621 0.9077 0.6415 1.3810 1.0326 0.9498 0.9888 0.9195 2.1627 1.1099 0.7871 0.6160 1.1222 1.2099 0.8674 0.8009 1.2136 0.7923 1.0009 1.4826 0.8954 0.6595 1.3605 1.0364 1.6435 0.7149 0.7288 1.3377 0.7390 0.9212 0.8344 0.7219 1.4990 0.8401 0.8711 0.9991 1.0981 0.8843 1.3949 1.1967 1.0684 0.7321 1.4626 1.7903 2.3140 1.1843 0.9281 1.4227 0.6333 1.1312 0.8215 1.1441 1.6121 1.2112 0.5502 0.9870 1.3659 1.4031 1.5281 0.6820 0.8692 0.7113 0.9229 0.9289 2.7744 1.2775 1.2834 1.1996 1.4410 0.7738 0.6834 0.6427 1.3321 1.0009 1.0458 0.8855 0.9075 0.8949 1.1605 1.6017 1.2456 octadecadienedioate (C18:2-DC)* 1.9958 0.5697 1.4253 2.0580 0.5991 1.2154 1.2221 0.9885 0.6124 1.0123 3.1510 1.0218 0.8744 1.0721 2.5821 2.0567 1.0436 0.9304 3.1708 0.9324 1.3114 1.4155 0.6028 1.9496 0.7556 0.5127 0.8021 1.7171 1.1117 1.4677 1.1452 1.0607 0.4643 1.8009 1.0739 0.8058 1.0378 2.4203 1.4565 0.5391 4.7379 0.7976 0.8378 0.9916 0.5381 19.0052 1.1218 0.3826 0.9953 0.6930 0.7437 0.7097 0.5183 1.0764 0.4294 0.9726 0.2948 2.5523 0.9534 0.7408 1.3110 0.4467 1.4771 0.7800 2.0041 0.9706 0.3353 1.0623 0.8993 0.7437 1.1875 1.0690 3.0285 2.3957 0.6399 1.1799 0.7528 1.6698 0.7096 0.9684 1.4342 1.4856 0.7966 2.6669 0.5292 8.8998 0.7121 0.8433 0.5865 0.7008 1.0684 1.0453 0.8341 0.7742 0.5992 0.6492 1.6930 1.2303 0.8593 1.1889 2.7423 0.9301 0.8582 1.0017 1.9693 0.9983 octadecanedioate (C18-DC) 1.4716 1.3415 1.2873 0.5941 0.8337 0.6413 1.0232 0.4630 0.5904 0.6256 2.9872 0.6640 0.7846 0.9380 1.5679 1.5572 0.6747 0.9195 0.4332 0.7773 1.3272 0.8857 0.5154 2.9959 0.6137 0.7630 0.7471 1.5212 0.9604 1.4524 1.0183 0.6997 0.4012 0.8910 1.6878 0.8693 0.4030 1.6224 2.1928 1.0108 1.1516 0.6807 0.8817 1.6135 1.2323 1.0357 1.1607 0.6076 0.8140 0.5732 0.7220 1.1839 0.9348 1.3897 0.3621 0.8193 0.6245 1.5420 1.0081 1.1373 1.8087 0.9919 2.2824 1.0960 0.6169 0.8158 0.4780 0.7950 0.6607 1.0485 1.0290 0.8206 1.4533 2.3723 1.2033 1.3275 1.2861 2.0373 1.0413 0.8863 1.0093 1.9746 1.3563 0.8857 0.2098 1.1286 1.3821 1.2017 0.5619 0.6594 2.2136 1.1203 0.8834 1.0341 0.9469 1.3689 1.2471 0.6649 0.6888 0.8211 2.6977 1.0293 0.7795 1.4103 1.5861 0.8307 octadecanedioylcarnitine (C18-DC)* 1.3194 0.9631 0.7456 0.2136 0.1745 0.9230 0.7260 0.5243 0.6225 0.2887 1.4977 0.7466 0.9297 1.5173 1.0654 1.7082 1.4716 0.4447 0.9158 0.7706 1.7303 0.6110 0.1755 1.1185 0.6672 0.3824 1.0446 0.8820 1.2035 1.4241 0.4344 0.7462 0.5496 2.1603 2.0280 0.8094 0.3950 3.0937 1.6827 0.8440 0.7303 0.6074 0.9438 1.2133 1.0401 0.7169 0.2187 0.4325 1.1070 1.1081 1.6537 0.6774 1.1041 2.2024 0.4608 1.5265 0.8557 2.5629 1.4783 0.5717 1.6406 1.3168 1.6281 1.1932 0.4140 1.0446 0.5710 0.8860 0.8890 0.8983 1.6746 1.4025 2.2243 2.1941 1.0118 1.0256 0.4673 2.4717 1.0622 0.9306 1.3850 1.5197 1.1180 1.2844 0.5607 1.0927 1.4839 1.0581 0.7028 0.6696 1.7176 1.6064 0.6952 0.9882 0.8180 1.4337 1.2843 1.5916 0.3927 0.5850 4.4007 0.5235 0.8935 1.3843 2.4048 0.8127 octadecenedioate (C18:1-DC)* 2.0175 1.0638 1.3789 2.3563 0.5524 1.0634 1.1577 0.8794 0.5807 0.8335 3.2746 0.9411 1.0438 0.9165 2.4471 1.9125 0.7291 0.9565 0.9162 1.0213 2.3203 1.1848 0.6051 3.1548 0.6701 0.9813 1.2446 2.5346 0.8719 2.0379 1.2245 0.9619 0.4281 1.4309 1.2163 0.7699 0.6915 2.2280 1.6837 0.6020 1.8301 1.0256 1.0000 1.3920 1.0197 0.9043 1.2367 0.8479 0.7166 0.6509 0.8525 1.2582 1.0445 1.5818 0.3819 1.3615 0.2864 2.6174 1.0000 0.8594 1.4194 0.4295 1.7110 0.7816 0.8651 1.3414 0.6414 1.0443 0.6433 0.7062 1.0311 0.7023 1.6727 2.0793 0.8183 1.7683 1.1546 1.8987 0.8541 0.7646 1.2447 1.8783 1.0350 0.9917 0.5488 1.1548 0.7737 1.1691 0.4613 0.4873 1.2288 0.8062 0.6349 0.8315 0.5290 0.7591 1.2055 0.9540 0.6291 0.9571 2.4307 0.7862 0.7400 1.2572 1.4449 0.5585 octadecenedioylcarnitine (C18:1-DC)* 1.5733 0.9833 0.7317 0.3762 0.4051 0.8745 0.6481 0.3601 0.6935 0.2466 1.1715 0.8464 1.0128 1.5975 1.2100 2.2021 1.4280 0.4169 0.9132 1.1259 1.5131 0.4702 0.2895 0.9872 0.6452 0.3896 0.8693 0.9551 2.0330 2.0852 0.5718 0.7182 0.3922 1.7489 1.6667 0.6292 0.4449 2.8870 0.9469 0.8251 1.1262 0.4938 0.7746 1.6709 2.7731 0.5338 0.3913 0.4599 1.0518 0.9295 1.7905 0.7487 1.2949 1.3083 0.2734 1.5695 0.5327 3.5598 1.2245 0.4782 1.2663 0.7771 3.1867 1.1113 0.5954 1.6308 0.6641 1.1724 1.3397 1.0260 1.8706 1.3924 3.2166 2.0703 0.9498 1.8838 0.3942 3.3118 0.9102 1.1129 1.2004 1.5992 0.9797 1.2938 0.6917 1.3273 1.4144 1.7691 1.0198 0.6038 2.0705 1.4757 0.8592 0.8582 0.5866 1.0655 1.5616 1.3748 0.2800 0.6566 4.7448 0.5875 0.9698 1.7713 2.8962 0.7198 octanoylcarnitine (C8) 0.8433 0.3184 0.6197 0.1259 0.4067 0.7193 1.5989 0.1845 1.3217 0.1199 0.3459 0.7724 1.6273 0.6905 0.5270 1.0998 0.9486 0.3642 0.7499 0.6767 1.6456 0.3919 0.4086 0.3704 0.6254 0.2561 0.4619 0.5976 1.0832 2.2468 0.4919 0.6246 0.7488 1.1272 0.7792 0.5091 1.4685 1.5092 1.0012 0.4092 1.5069 0.5383 0.7939 1.6078 1.2305 0.4550 0.1455 0.9988 1.7121 0.7306 1.4826 0.7778 0.9653 2.4993 0.2054 0.7442 0.8494 1.5728 0.8690 1.3901 1.3486 1.3545 1.2055 2.3431 0.6986 0.8959 1.7677 1.2947 1.2197 1.4120 1.2179 1.2484 1.7988 0.9676 1.2445 0.7453 0.3221 1.4864 1.0686 1.1199 1.0301 2.8813 1.2410 1.3884 0.5911 2.1154 0.9772 1.1997 2.8626 0.8275 2.6586 1.2842 1.1898 0.6610 1.6298 1.1547 3.6214 2.1707 0.2432 1.1285 3.0481 0.6720 1.5271 1.0954 1.7262 0.9403 oleate/vaccenate (18:1) 0.8024 0.8528 0.6251 0.1996 2.2188 0.9497 0.9908 0.1505 0.9964 0.2700 0.9379 1.6786 0.9204 1.0031 1.8989 1.1840 1.2754 0.4801 0.6695 0.6044 0.7094 0.3061 1.6297 0.8339 0.9224 0.8064 0.5752 0.7327 1.2691 1.5574 1.3219 0.7747 0.6066 0.7553 0.4898 0.8099 1.0354 0.5729 0.8148 1.3194 1.1712 0.5944 0.6599 1.4160 1.7456 0.9969 0.9362 0.6676 1.3489 0.6003 1.0663 2.6743 0.5717 0.8345 0.5097 0.8676 1.1511 0.6643 0.9129 1.1875 0.7486 1.0488 1.5583 1.4390 0.7832 1.1133 1.0965 1.2273 0.9621 1.1869 1.3420 2.7419 1.7325 1.0541 1.8834 1.2557 1.5238 1.8772 1.4865 1.5656 0.5463 2.2206 1.2953 1.6064 0.9921 0.7334 1.3411 1.8964 3.3832 1.9422 1.8526 1.0211 1.4544 1.1957 0.6644 1.6906 1.5390 0.7758 0.3238 0.9746 1.7591 1.2603 0.8724 1.4736 0.8633 0.6281 oleoyl ethanolamide 0.8082 1.3626 1.0480 0.4990 2.3061 1.4160 0.7821 0.5959 0.6580 0.7359 1.2741 1.7479 1.0233 1.1130 1.1421 0.8344 1.3310 0.5589 0.8620 0.7763 0.9397 0.4068 1.0623 0.7954 0.7627 0.5183 0.7311 0.4908 1.4821 0.7928 0.9903 0.7405 0.7052 1.1007 0.9256 1.5715 0.7394 0.8774 0.8025 0.9856 1.0983 0.6020 0.9150 1.0309 1.5113 0.8984 0.7042 0.9373 1.0279 0.6984 1.0053 2.0621 0.7590 1.0749 0.5625 0.6045 1.2042 0.6135 0.7580 0.8884 1.2504 0.8012 1.3714 1.3215 0.7414 0.9996 1.2680 1.5545 1.8551 1.0594 1.6333 4.0716 1.6550 1.0004 1.5166 1.0839 1.2048 1.4525 1.0093 1.4227 0.9991 2.0686 0.9290 1.1110 0.5847 0.6791 0.9735 1.2100 3.8044 1.7687 2.1174 0.7054 1.1314 0.8631 0.9387 1.4721 1.6135 0.7681 0.6494 1.0338 1.9069 1.4853 0.8658 1.6541 1.8983 0.8817 oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* 0.4625 0.6804 0.4485 0.7159 0.4860 1.1801 0.9325 0.5910 1.0430 0.2676 0.2791 0.3435 1.8052 0.3085 0.7523 0.6006 0.7436 0.7379 0.9817 0.8555 1.1818 1.0085 1.1627 1.6216 0.7379 0.5045 0.8413 0.3258 0.8377 2.5570 0.3684 0.7966 0.9602 0.9088 1.3512 0.8446 0.8899 1.5250 0.6733 0.5626 1.2973 0.9915 0.6469 1.1636 1.6325 1.6415 1.8801 0.4812 0.7651 1.4779 2.3629 1.3170 1.3883 1.4821 1.1601 1.0850 1.0850 1.7787 1.0661 1.1001 0.9509 0.9359 1.3645 0.7521 0.7588 0.7864 1.4910 2.6779 1.1389 1.4846 1.4324 4.4350 2.3003 1.9059 1.4334 1.0849 2.3811 0.9248 0.5241 0.5882 0.6801 1.1508 1.1399 1.1668 0.4214 0.8815 1.3646 1.2316 3.1951 4.7412 0.6574 1.1690 1.1070 1.1501 1.2522 0.7069 1.1564 0.9538 0.4923 0.5499 1.0621 0.8479 0.4923 1.0862 0.3338 1.1839 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 0.4785 0.8052 0.4580 0.8217 0.5349 1.4190 0.8073 0.5386 0.9663 0.2850 0.3409 0.3688 2.0643 0.3693 0.6683 0.5417 0.6438 0.6845 0.9513 0.9021 1.1068 1.0876 1.0106 1.8858 0.8427 0.5303 0.7736 0.3488 0.8123 2.2154 0.4275 0.7953 1.1239 0.9606 1.2942 0.9764 0.9139 1.3817 0.6600 0.4897 1.3228 0.9781 0.8376 1.2678 1.9719 1.8028 2.0601 0.4790 0.8882 1.5333 2.5297 1.4432 1.5162 1.6773 1.3684 1.1819 1.2540 1.7162 1.1180 1.2326 0.8389 1.0663 1.5984 1.0036 0.7678 0.6639 1.7226 3.2001 1.1833 1.5225 1.8864 4.5974 2.6178 1.9755 1.5470 1.1385 2.5942 0.8926 0.5129 0.6062 0.7341 1.2620 0.9964 1.1532 0.3907 0.8201 1.5903 1.1766 3.9095 4.5763 0.7854 1.0868 1.3520 1.2797 1.3354 0.6414 1.3245 0.9654 0.4826 0.6371 1.0164 0.7509 0.4444 1.1912 0.3159 0.9853 oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* 0.2260 0.9601 0.6150 0.7487 0.2260 2.6879 0.4267 0.2260 0.9111 0.6916 0.2260 0.5000 5.0908 0.3554 1.1709 0.7570 0.7077 0.6606 0.8090 0.4989 1.0125 0.2260 1.4671 1.9265 0.9382 0.5093 0.9318 0.6488 1.3777 0.8917 0.2260 0.6880 1.4340 1.2488 1.4777 0.2260 0.2260 0.9230 0.7779 1.8614 1.2199 0.2780 1.7574 1.9210 0.4059 0.2260 3.2533 0.3080 1.1266 0.8243 0.2260 0.5845 0.9714 0.2260 1.1427 1.3832 0.7231 1.4206 0.2260 1.1028 0.2260 1.2966 1.6042 0.7047 0.2260 0.9992 1.1731 1.8479 1.5566 1.4494 1.3795 4.9475 3.9115 1.8339 3.1035 1.0008 1.1243 0.2260 0.2824 0.5754 0.2260 0.2260 0.2875 0.7595 0.4494 0.8691 1.0381 1.2447 1.7998 3.2974 0.2260 0.6565 1.5351 1.3936 0.8050 1.5913 2.9675 4.3068 0.3594 0.2260 1.1080 0.4780 0.3715 1.7336 0.7731 0.6107 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 0.5499 0.8978 0.5562 0.5141 0.3624 1.9427 0.8632 0.4756 1.1831 0.5684 0.3249 0.6312 3.7474 0.3971 0.8091 0.7591 1.2202 0.6227 1.0742 0.7019 1.2258 0.4517 1.0090 1.4308 0.6468 0.4368 0.9830 0.4825 1.1524 1.3153 0.3794 0.6436 1.1524 0.9635 1.0473 0.4522 1.2487 1.3028 0.6546 1.0371 1.3538 0.8564 1.1653 1.6317 1.0540 0.6158 1.9819 0.4773 1.0714 1.0155 2.2168 0.5923 0.8854 0.6656 1.1362 1.2385 0.8549 1.8024 0.8485 0.6817 0.6536 1.2573 1.4913 0.9506 0.6827 1.3588 1.3965 1.5011 1.4819 1.3591 1.1460 3.7108 3.3705 1.7905 2.8048 0.9777 1.1894 0.9910 0.8953 0.8968 0.5958 0.6704 0.6238 1.1059 0.5699 1.1544 1.0249 1.2257 2.6274 3.4602 0.9890 0.8439 1.3870 1.6502 0.8559 1.2102 1.9310 2.0760 0.4696 0.7830 1.2069 0.6341 0.6980 2.1682 0.6514 1.5174 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 0.5672 1.0534 0.5263 0.5285 0.3938 2.0683 0.8595 0.4903 1.1630 0.5351 0.3369 0.5777 4.2471 0.4268 0.7096 0.7331 1.1082 0.5904 0.9700 0.6952 1.2462 0.4355 0.9422 1.5676 0.6377 0.4102 0.8920 0.4871 1.1347 1.3086 0.3863 0.6550 1.3008 1.0760 1.0026 0.4957 1.2589 1.1518 0.6274 0.9159 1.2104 0.8590 1.1491 1.6748 1.0201 0.6087 2.1424 0.4767 1.0304 0.9304 2.2338 0.6142 0.8412 0.6578 1.3218 1.2184 0.8488 1.8090 0.8684 0.7846 0.5866 1.3478 1.6281 1.0755 0.6460 1.2359 1.5806 1.5533 1.4342 1.5079 1.1912 3.8230 3.7201 1.7402 2.5335 1.1015 1.2592 0.8732 0.8215 0.9187 0.6390 0.6575 0.6653 1.1520 0.5197 1.0926 1.1873 1.1125 3.1354 3.2523 0.9974 0.7004 1.4653 1.6557 0.8828 1.2635 2.1392 1.7862 0.5035 0.7658 1.2086 0.6632 0.6393 2.2226 0.5782 1.4005 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 0.5706 0.6381 0.5258 0.2611 0.4427 1.7879 0.5948 0.3993 1.0909 0.5735 0.2265 0.5218 3.2991 0.5242 0.6291 0.5977 1.0175 0.6379 0.7042 0.5393 0.9577 0.5243 0.9961 1.4619 0.6565 0.4211 0.7299 0.4042 1.1011 1.4945 0.3137 0.7305 1.1986 1.0683 1.0421 0.5844 1.1179 0.8973 0.5016 0.9552 1.0574 0.8827 0.9837 1.9774 2.3874 1.0622 2.1116 0.4782 1.1227 0.9394 1.6761 1.1233 1.2848 0.5468 1.1314 1.1471 0.8166 2.3366 0.8190 1.0039 0.7128 1.1176 1.7754 0.8603 0.5545 0.8147 1.6557 2.2216 1.3146 1.5688 1.0905 3.6090 3.2894 1.3160 2.4014 0.8829 1.6820 0.7985 0.7221 0.9306 0.6213 1.0800 0.6368 1.1829 0.4318 1.0118 1.3102 1.5324 2.7426 3.0780 1.2155 0.8477 1.2617 1.7431 1.0374 1.3936 1.7263 1.3961 0.5129 0.4401 1.1809 0.8819 0.5558 2.1056 0.6206 1.0179 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 0.6296 0.7724 0.5282 0.2481 0.3592 1.8956 0.5931 0.4311 1.1643 0.5650 0.2323 0.5679 3.5127 0.5196 0.6328 0.5963 1.0176 0.6872 0.8113 0.5557 0.9918 0.5008 0.9906 1.6256 0.4595 0.4463 0.8553 0.4245 1.0794 1.3934 0.3178 0.7403 1.2459 1.0712 1.0629 0.4586 1.1670 0.9960 0.5617 1.0323 1.0447 0.9072 1.0179 2.0509 2.5704 1.1721 2.1152 0.4880 1.0049 0.8511 1.6956 1.2579 1.3880 0.3393 1.2934 1.1393 0.8098 2.6132 0.7837 0.9174 0.7096 1.2782 1.6799 0.8965 0.5788 0.8353 1.7581 2.1554 1.3559 1.8384 1.1572 4.0593 3.7970 1.2944 2.6395 0.6479 2.1863 0.8666 0.7183 1.0040 0.5792 0.9500 0.7299 1.2629 0.4695 0.9617 1.0225 1.6171 3.1631 3.2490 1.3588 0.8458 1.2732 1.7695 1.0900 1.4161 1.8763 1.4949 0.5083 0.3141 1.2534 0.9372 0.6053 2.0440 0.6177 1.0840 oleoylcarnitine (C18:1) 0.9105 0.5632 0.6049 0.3142 0.8161 1.2063 0.8504 0.3737 0.9666 0.2157 0.4207 1.4241 0.8801 0.8508 0.9064 0.8675 1.4372 0.4169 0.8425 1.0635 0.8894 0.4927 0.6899 0.7807 0.7328 0.2541 0.7294 0.4633 1.5180 1.2155 0.6808 0.6695 0.5405 1.1845 0.9868 0.5193 0.9436 1.0928 0.6394 0.8822 1.3714 0.4979 0.7243 1.1631 2.6174 0.6673 0.3944 0.8816 1.5628 0.9713 1.4782 1.2615 1.3558 0.7505 0.3599 0.8256 0.9589 1.1114 0.7143 0.5456 1.1476 1.3167 1.1788 1.1889 0.7587 1.3671 0.9632 1.8366 1.7651 1.1545 1.6909 1.8809 2.0139 1.4658 1.1080 1.2870 0.6470 2.2715 0.8270 1.2954 0.8577 2.6500 1.1210 1.2114 0.7705 1.0966 1.4462 1.3842 1.3694 1.7915 1.8000 1.1923 1.2308 1.0132 0.9094 1.3610 1.6735 1.8114 0.6122 0.9261 2.4377 1.5151 1.3569 1.7222 1.7372 1.6043 oleoylcholine 0.9251 0.6783 2.5717 4.0519 2.6454 1.8830 1.7157 5.0197 1.9109 6.8902 1.5953 0.6067 0.7840 0.1983 1.1761 0.8135 1.5477 1.6923 0.6977 0.6629 1.2861 2.9845 0.6074 1.0980 0.6912 5.0332 3.2779 2.0147 0.2486 1.0627 3.3551 1.6722 0.6686 2.6189 0.4662 0.6102 1.1447 0.7805 1.3322 0.7456 2.5473 1.3873 0.5363 0.5845 1.7873 0.6889 0.7950 2.3410 1.7540 2.4067 2.2479 0.5949 7.5450 0.6836 2.7044 0.4303 1.3646 1.0182 1.1531 1.7516 0.7913 0.4266 0.4241 0.6453 1.0797 0.4128 0.4166 0.5066 2.6168 0.2908 0.4161 1.2075 0.3900 0.3618 0.3329 1.1762 0.3298 0.9888 1.0112 0.7384 1.2124 1.2089 0.5493 0.4798 0.1164 0.5671 0.3460 0.3763 0.1795 2.5749 0.4074 1.0134 0.1751 0.3145 0.6696 0.9044 0.7640 1.3682 1.8944 1.0347 0.6204 1.3227 0.8026 1.0656 1.2751 4.9335 omeprazole 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 1.0000 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 6.4184 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.9641 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 24.6392 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 0.2968 ornithine 1.3614 1.3558 1.3921 0.9739 1.1128 1.0354 0.6861 1.0706 0.9983 1.2785 1.0946 0.9592 0.8491 0.4471 0.7596 0.6898 1.0837 0.9386 1.2888 0.9454 1.0799 1.1191 1.3466 0.6949 0.7647 0.8363 0.7506 0.8977 1.0248 1.5867 1.0425 0.9123 0.7922 1.0311 0.9777 0.9517 1.1362 1.2544 0.9185 0.9245 0.7744 0.7726 0.7324 0.7444 0.9779 1.0149 1.1557 1.0017 1.1277 0.6723 0.9931 0.9268 1.4321 0.8965 0.7741 0.9154 1.0170 1.1419 0.8122 1.0146 1.2249 0.9707 0.9099 1.4038 1.0712 1.3568 1.0235 0.7526 1.2107 0.8262 0.9073 1.1017 0.6080 1.1137 1.1885 0.7989 1.0484 1.0637 0.6672 0.8457 0.9201 1.2421 0.8307 0.9520 0.7307 0.7902 1.0355 0.9334 0.9033 0.6422 1.2100 1.1257 1.2192 1.1606 1.0793 1.0657 0.9513 1.4148 0.7579 1.1502 1.0498 1.1974 1.1174 0.9001 1.1607 1.3230 orotate 1.1142 0.7103 1.0807 1.0444 0.8782 1.1021 0.6629 1.1783 0.8846 1.5666 1.0250 0.9680 1.3858 0.8950 0.8552 0.9479 10.8802 1.3469 0.7588 0.9229 1.0115 1.5678 1.2197 0.7872 0.7895 1.5090 1.3340 1.0202 1.8735 0.7731 1.3813 1.2850 0.8465 17.6229 1.4279 0.8572 1.0311 0.8626 0.9226 0.8895 0.7828 0.8911 1.1982 0.7903 0.9014 1.0139 0.9981 1.0019 0.7005 1.1372 0.5973 1.6098 0.7457 0.6788 0.6443 1.1464 0.8642 0.9818 1.5361 0.8248 0.8167 0.6862 0.8745 0.7578 1.5135 1.0705 0.6936 1.1196 1.2651 0.8077 1.2530 0.8940 1.2101 0.9147 0.9143 1.7243 0.6679 1.2505 0.8522 1.6156 1.1406 0.8759 1.2897 0.6518 0.7546 0.8595 1.1384 0.6599 0.5547 1.2024 3.1512 1.0681 1.1913 1.0328 1.0074 0.8251 1.2386 0.8367 1.0546 0.9102 1.1104 1.2820 0.7747 1.4235 1.6139 0.7373 orotidine 1.4895 2.2895 0.9363 1.0537 0.7714 0.7979 0.8223 1.3688 0.7282 1.2290 1.6194 1.1459 1.7917 1.3052 1.0421 1.3469 29.0862 1.4617 1.1017 0.8985 1.2736 1.3818 0.8693 0.5670 1.1519 3.3594 0.6930 0.4230 1.9285 0.4480 0.7666 1.2019 1.5561 54.4179 0.7956 0.9486 1.0286 0.7158 1.2999 0.6183 0.1651 1.5209 1.1603 0.9396 1.2061 1.2752 1.1122 1.4144 0.7146 1.1579 0.5409 1.9789 0.9581 0.6371 1.3632 0.9365 0.6636 1.0609 1.4976 1.2206 0.8109 0.7889 0.7403 0.5325 1.7907 0.9381 1.1445 1.8610 1.4273 1.3536 1.1219 0.7531 2.2539 0.6179 0.9994 1.3152 0.7557 1.2795 1.3665 0.6969 0.8715 0.9876 0.9866 1.1585 0.6955 0.6408 0.8720 0.9965 0.7082 2.7945 2.4990 1.0006 0.7304 1.0864 0.7276 0.7955 0.8697 0.6769 0.6848 0.6014 0.9226 0.9027 0.5883 1.1566 1.8885 0.7275 oxalate (ethanedioate) 0.9018 1.2604 0.3562 0.6216 0.9513 1.1653 1.7506 0.6440 1.0636 1.3007 0.9691 1.2111 0.7411 1.0006 1.2050 0.5536 0.6463 1.1662 1.0161 0.9994 0.8721 0.4267 0.6850 0.7437 0.5877 0.5244 1.2567 1.0173 0.2459 0.5627 1.4199 1.1360 0.7025 0.6899 0.3303 0.2342 1.6059 0.4373 1.3325 0.7205 1.5449 1.1306 1.2607 0.2942 0.4111 0.6185 0.9073 0.8635 0.9561 1.0604 0.9965 0.2116 1.2634 1.2508 1.2722 0.8877 0.5916 0.8851 0.5744 1.3877 0.7464 1.2233 1.2204 0.6992 1.2264 1.2715 1.1989 1.4560 1.2543 1.0586 1.0221 1.2691 1.2654 0.7485 0.7438 1.2331 0.4730 1.2905 0.5519 1.1387 0.9991 0.8099 1.8905 1.5535 0.7502 1.1879 1.1036 0.4776 1.2749 1.1377 0.3657 0.9591 1.3743 1.1440 0.9604 1.0594 0.4094 1.1572 1.3812 1.0842 1.0870 0.6104 1.2228 1.2702 0.8511 0.7660 oxypurinol 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 1.0912 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 0.9088 p-cresol glucuronide* 0.5338 3.4133 1.5050 0.0483 0.2206 0.6708 0.5413 2.1347 0.9126 0.4873 0.9255 0.3534 1.8434 2.8277 0.2294 2.9733 2.2540 0.7828 2.1335 0.5287 0.2284 1.2298 1.4717 0.5454 0.0758 0.6282 1.8268 2.8171 15.9976 3.5769 2.3200 0.3580 3.0588 3.8366 2.0502 1.9372 1.3431 1.0000 2.0507 1.0517 0.3931 1.3193 0.9399 0.6024 2.5117 0.3962 0.1037 0.8824 0.5034 0.4702 0.1866 0.8545 4.0420 2.6296 1.4585 0.9358 4.8726 0.1519 1.3596 1.0192 0.2717 5.5372 2.4827 1.5312 2.6347 0.0556 0.4156 3.4859 1.8897 0.3749 1.1220 4.5893 0.5289 1.8335 0.4961 2.4674 0.6610 0.2577 0.7263 0.0483 0.8496 1.4597 3.7617 0.3614 0.9366 1.5001 0.5677 0.1938 0.3359 2.5688 1.5409 0.9555 0.0947 3.1985 1.7113 0.3436 4.3776 0.4957 0.9256 0.5311 1.6370 2.4667 0.4738 0.4272 3.1350 1.2307 p-cresol sulfate 0.6937 2.6579 1.3516 0.0897 0.4806 0.4306 1.1386 1.7790 0.9522 0.8639 1.7523 0.7896 1.5131 1.4560 0.6806 1.8426 1.5458 1.2125 1.6126 0.6416 0.7055 1.2587 0.9470 1.8571 0.2981 0.9812 1.4051 1.7942 2.5345 1.3217 1.7154 0.4262 2.0208 2.8800 1.5522 1.2368 0.9508 1.3345 1.7126 0.9409 0.7270 1.3068 1.2774 0.6017 0.6884 0.4866 0.1881 0.7167 0.8120 0.9374 0.2579 0.6906 1.8236 1.9840 1.0090 0.8336 1.7756 0.7159 1.3396 1.0726 0.4960 2.3882 1.2934 1.1274 2.0073 0.2081 0.8377 1.6996 1.3011 0.8581 1.3302 2.2077 0.5764 0.6138 0.5267 1.1684 0.7101 0.6350 0.6846 0.0383 0.8120 0.9910 2.4073 0.6166 0.7645 0.8467 0.7202 0.3541 0.4609 2.4022 1.2789 1.2400 0.1171 1.8760 1.3289 0.7437 1.5841 0.7638 1.2701 0.7845 1.3760 1.0388 0.6140 0.3608 2.2484 1.6890 palmitate (16:0) 0.8591 0.8694 0.7869 0.3500 2.0970 1.1139 1.0700 0.2863 1.0770 0.3848 0.9426 1.5624 0.9894 0.9896 2.0190 1.2061 1.1905 0.5857 0.6359 0.6418 0.6902 0.4204 1.4677 0.8933 0.8999 0.8730 0.7419 0.8417 1.2003 1.4369 1.1611 0.8498 0.7186 0.8970 0.6269 0.8849 0.9802 0.6550 0.8962 1.2096 1.0407 0.6818 0.8197 1.3176 1.6395 1.0488 0.9413 0.7724 1.3518 0.6711 1.1254 2.5067 0.6444 1.1542 0.5080 0.9111 1.1146 0.9175 0.8191 1.2561 0.8209 1.0104 1.6998 1.3982 0.8135 1.0887 0.9062 0.8536 0.8270 1.1691 1.3176 2.6773 1.6572 0.8159 1.7580 1.3124 1.6847 1.7002 1.4582 1.3046 0.7486 2.0279 1.3550 1.4492 0.9067 0.7403 1.2666 1.8296 2.8401 1.9827 1.7963 1.2229 1.1398 1.1436 0.7859 1.4521 1.6671 0.7923 0.4679 0.8921 1.5868 1.1151 0.9521 1.3544 0.8512 0.6236 palmitoleate (16:1n7) 0.9927 0.8640 0.4856 0.1084 4.8676 0.7592 0.9913 0.1023 0.9845 0.1895 1.2067 1.6629 0.4290 0.9424 2.1813 1.2197 1.6303 0.4478 0.4852 0.7250 0.6042 0.2478 2.4513 0.5436 0.5840 1.3435 0.5580 0.8320 1.3878 2.1889 1.7271 0.8038 0.4922 0.4497 0.4261 0.5741 1.0267 0.3960 0.5122 1.0150 1.1212 0.7600 0.5452 2.0525 3.3895 0.9336 0.7475 1.0073 1.2664 0.5612 1.3218 8.2325 0.8774 0.6156 0.3635 0.7215 1.4158 0.4639 0.6011 1.4676 0.5070 0.9166 2.4602 1.4060 0.5153 0.7426 1.2001 0.6581 1.1947 1.3262 1.0781 4.2340 1.9756 0.4583 1.6940 1.1978 1.2411 1.9188 1.3380 3.1930 0.4393 4.1220 1.6782 2.0501 0.5981 0.5047 1.6314 2.5492 5.6467 2.0904 3.7893 1.2242 1.1115 1.0969 0.6873 2.2770 1.9380 0.6221 0.2610 0.5414 1.3656 1.4072 0.8783 1.2724 1.0276 0.7017 palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* 0.5004 0.4006 0.2346 0.7539 0.2456 1.1810 1.3796 0.6048 1.5134 0.2346 0.2346 0.3398 0.9892 0.2346 0.8324 0.2346 0.7339 0.9776 0.8653 0.7345 0.7769 1.0131 1.5346 1.1618 0.6280 1.0650 1.1492 0.4113 1.5202 2.9202 0.3582 0.9682 0.7196 0.6188 1.1942 0.6361 1.0456 1.0053 0.5779 0.2346 1.7785 1.5658 0.9233 0.4876 1.3880 1.3658 1.0560 0.9359 0.8326 2.1299 2.3835 1.7447 1.2100 1.2563 1.2710 1.9163 0.9947 1.3738 0.6548 1.2996 0.6974 0.7567 1.1037 0.8965 0.4927 0.7170 1.7645 1.7794 0.9403 2.0242 0.8612 5.2868 1.4731 0.8810 1.7135 1.0870 2.8376 0.6538 0.2346 0.3671 0.6736 0.7140 1.6084 1.4563 0.2346 0.6345 1.2605 1.2695 2.6626 6.4046 0.3366 1.6585 0.9028 1.4304 1.0095 0.8421 1.1069 0.5422 0.3322 1.3591 0.5566 1.0163 0.3835 0.6695 0.2346 1.0955 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* 0.7500 1.0652 0.3204 0.4698 0.8697 1.6927 0.9186 0.2796 1.5645 0.4640 0.3055 0.5553 3.3538 0.2295 0.9742 0.8009 1.0978 0.7370 0.7847 0.8740 0.8384 0.6681 1.4350 1.9418 0.5221 0.9058 1.2330 0.4072 1.0766 1.2891 0.4288 0.7337 0.6867 0.5727 0.9543 0.4563 1.4104 0.9727 0.4788 0.5724 1.6203 1.3457 1.2295 1.8109 2.2624 0.8762 2.1490 0.6901 1.0172 1.0327 3.1113 1.8467 1.1006 0.6529 1.2831 1.2699 0.6195 1.7955 0.3938 1.3192 0.5799 1.4612 2.6591 0.9776 0.4212 1.0944 1.6061 0.7158 1.5391 2.5337 0.9531 3.7129 3.8027 0.7035 2.4386 0.8916 1.9055 0.9696 0.5571 1.0815 0.8250 0.7717 0.9828 1.5521 0.3304 0.8052 1.2280 1.6680 2.4277 4.7395 1.4003 1.4193 1.0655 1.4655 1.1602 1.5308 2.5938 1.4460 0.4340 0.3643 0.8706 1.1164 0.5464 1.6880 0.4556 1.6416 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [1]* 0.9492 0.6163 0.3581 0.1803 1.2157 1.7370 0.6021 0.5668 1.4396 0.5406 0.1114 0.6478 2.2762 0.2633 1.0606 0.5358 1.0567 1.2018 0.6677 0.7507 0.1114 0.6581 1.8057 1.7406 0.5450 0.3682 0.1286 0.4853 0.2373 1.9779 0.3632 0.9667 0.7446 0.4586 1.1696 0.7525 1.4701 0.9108 0.5143 0.6551 0.4119 0.3496 0.9174 2.5179 7.4726 1.5635 2.3177 0.7386 1.1241 1.2776 2.2788 3.5479 1.8866 0.5477 1.7785 1.5625 0.7233 3.3191 0.3884 2.3376 0.7193 1.3777 2.8037 0.9665 0.3853 0.7257 2.3393 0.9818 1.3437 3.7576 1.1854 5.1509 4.5140 0.4869 2.4871 0.8345 3.5063 0.2754 0.5573 1.4266 0.7920 1.2630 1.4937 2.1637 0.3732 0.7995 1.7968 3.0928 3.4726 5.6971 2.3850 0.1289 0.9938 1.9929 1.6026 1.6917 2.0365 0.9609 0.6611 0.1114 1.0062 1.9373 0.5124 2.0519 0.6849 1.1537 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* 1.1122 0.5968 0.6213 0.0183 0.9053 0.8659 0.7950 0.6032 1.7767 0.8376 0.0183 0.8363 5.0302 0.2515 1.3154 0.8618 0.3514 0.4026 0.7721 0.4491 0.1358 0.5875 1.2342 1.6085 1.0832 0.6806 0.8761 0.7047 0.6871 2.2930 0.2223 1.3214 0.4110 1.1573 1.4403 0.5172 1.9743 1.1727 0.6949 0.7843 0.7749 1.0000 0.6769 1.3451 4.5017 1.3264 1.5849 0.5936 0.6056 0.2420 1.6811 2.7137 1.5411 0.0183 1.2365 1.9397 0.4910 3.6029 0.2191 1.7873 0.9024 0.7778 1.8732 0.5837 0.4216 0.7396 1.8253 1.9053 2.0757 2.5813 0.7217 6.6752 2.7730 0.7343 2.9540 1.6006 1.9651 0.3046 0.8797 1.2418 0.6575 0.8306 0.6967 1.5691 0.0183 0.8901 1.4490 1.5265 2.6368 6.7438 1.8805 1.0604 1.4869 2.5059 0.9840 1.2091 1.1797 1.3424 0.4720 0.0183 0.7390 1.3722 0.0183 1.2091 0.9004 1.8271 palmitoleoylcarnitine (C16:1)* 0.8896 0.6240 0.5514 0.1481 0.9388 1.0891 0.7701 0.2109 0.8392 0.0561 0.4759 0.9140 0.6073 1.0572 0.8553 1.1481 1.3931 0.3246 0.6807 0.9938 0.8636 0.3536 0.6519 0.5576 0.7214 0.2895 0.6004 0.4406 1.7238 1.4115 0.6352 0.6021 0.5552 1.1789 0.8946 0.5946 0.9698 0.9482 0.5421 0.7825 1.3477 0.4631 0.7406 1.2348 3.0235 0.6025 0.2698 1.0465 1.4069 0.8570 1.7250 2.1031 1.4520 1.0402 0.2561 0.7107 0.8305 1.0062 0.6210 0.6213 1.2513 1.2716 1.5563 1.2050 0.4426 1.3601 1.2846 1.6083 1.5331 1.3518 1.4095 2.0659 2.5589 0.9437 1.0224 1.4029 0.3540 2.7128 1.0184 1.5043 0.6934 3.2438 1.1202 1.3598 0.5682 0.9497 1.5299 1.8362 1.5836 1.0374 1.9768 1.0088 1.0303 0.8734 0.8935 1.8368 1.3490 1.7419 0.3474 0.7554 2.0141 1.4812 1.2292 1.6548 1.5286 1.8133 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 1.0865 1.1157 0.9362 1.2115 1.3245 0.7190 0.9592 0.6283 0.8272 1.4505 1.0933 0.9326 1.1443 1.0830 1.3438 0.8915 1.0075 0.8407 0.7570 0.8434 0.7992 1.0771 0.6945 1.2457 0.6375 0.8121 0.8848 0.8789 1.2860 0.8339 1.4667 0.9963 1.3280 0.9681 0.6872 1.0750 0.9481 1.2375 1.1883 0.8500 1.0767 0.9529 0.9228 0.8916 1.2685 0.8670 1.2026 1.6726 0.8921 0.6754 1.2679 1.2911 1.0335 1.0351 0.7610 0.6648 0.8757 0.8291 0.9618 1.0037 1.0473 0.9641 0.9634 0.9319 1.0354 1.1301 0.7322 0.7985 1.2630 0.6098 0.7623 1.4751 1.5908 1.3079 0.8158 1.7693 0.7200 0.8892 0.7896 1.3257 0.7638 1.1428 1.3073 1.0572 1.0265 1.0416 1.2227 0.8719 0.5138 1.1935 1.2747 0.8727 0.6233 0.6718 1.0946 0.7549 0.8337 1.6015 1.4123 1.4452 0.8318 1.0263 1.5171 1.6192 1.4343 1.7882 palmitoyl sphingomyelin (d18:1/16:0) 1.0986 1.2625 1.1214 1.1200 1.1664 0.8190 1.0047 0.9742 0.9208 1.4365 1.2540 1.0522 0.9978 0.9429 1.1367 0.9206 1.0317 1.0152 0.8060 0.9287 1.0534 0.9416 0.8237 1.0631 0.8576 1.0204 0.8892 0.9393 1.0463 1.0122 1.2281 0.9110 1.1723 0.9753 0.8941 1.1131 0.9081 1.0130 1.0174 0.8810 1.0901 1.0654 1.0477 0.9629 0.8323 0.8938 0.9342 1.2170 0.9561 0.8491 1.0144 0.9783 1.0732 0.9460 0.9968 0.7749 0.9844 0.8430 1.1135 1.0167 0.8959 0.9397 0.8252 0.9701 1.0608 1.0022 0.8351 0.9487 1.0247 0.7267 0.8800 1.0736 1.2567 1.1299 0.7630 1.3429 0.7987 1.0115 0.9692 1.2167 0.8953 1.0462 1.0102 1.0277 0.8771 1.0690 0.9841 0.8049 0.7086 1.0654 1.2447 0.8261 0.7283 0.8897 0.9343 0.7312 0.8614 1.3134 1.1480 1.2240 0.9348 1.0345 1.2626 1.4071 1.2020 1.6572 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 0.4306 0.8826 0.5327 0.9478 0.8661 1.3243 0.9120 0.5972 1.4469 0.2843 0.3015 0.2475 2.1919 0.3745 0.8424 0.3893 0.7395 1.1243 0.4631 0.6253 0.9266 1.3170 0.6530 2.6054 0.9531 0.8157 1.2891 0.2966 0.3409 2.1208 0.3957 1.1665 1.2505 1.0697 0.8375 1.3926 0.5767 1.4942 0.6121 0.5052 1.3019 1.1235 1.0881 1.2970 2.7061 1.7868 2.3255 0.6776 0.7525 1.2955 2.9677 1.9550 1.8231 2.0715 1.3279 0.7216 1.0282 2.2631 0.7379 1.0370 1.1760 0.9715 1.8305 0.7381 0.8406 0.2512 1.4199 1.2440 0.8149 1.7018 1.4269 4.6992 2.3236 1.3931 1.0000 1.3643 6.7583 0.4395 0.5135 0.5961 1.0832 0.8075 1.4147 0.8177 0.4168 0.6178 1.8032 1.1857 1.6563 4.6898 0.4330 1.8155 0.7491 1.1173 1.0935 0.4643 1.5226 0.4858 0.5818 1.9838 0.7834 0.5435 0.2475 1.1045 0.2972 0.9407 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 0.5579 0.8266 0.4558 0.9611 0.9384 1.4775 0.8693 0.5184 1.2847 0.4170 0.1986 0.1986 2.8303 0.3383 0.8200 0.6052 0.4000 0.8712 0.5304 0.7116 0.8241 1.3420 0.7400 2.5921 0.8393 0.9425 1.3717 0.2604 0.4709 2.5872 0.3218 1.0255 1.2203 1.5229 1.1369 1.2566 0.8644 1.9374 0.5524 0.5915 1.0744 1.0818 0.7703 1.1517 2.0710 1.1645 2.4912 0.3462 0.8745 1.3328 3.4510 1.7017 1.3470 1.9221 1.4109 0.8732 1.0000 2.2097 0.8376 1.3992 1.3709 0.9619 1.9979 0.7810 0.7581 0.4775 1.2764 1.4054 1.2430 2.1008 1.4406 5.8406 3.6632 1.5314 1.6937 1.3232 9.4401 0.5828 0.4090 0.1986 0.9425 1.1130 1.0287 0.7577 0.1986 0.6623 1.8375 0.9907 2.0513 7.1572 0.9221 1.5081 1.0272 1.0636 1.1850 0.5697 1.6897 0.6512 0.3761 0.1986 0.8293 0.4082 0.2100 0.9547 0.1986 0.5665 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* 0.2490 0.7528 0.2618 0.5755 1.3600 4.1238 0.6453 0.1395 2.5324 0.1395 0.1426 0.1395 1.1047 0.1395 0.7827 0.1395 0.6927 0.3893 0.4698 2.0031 0.3296 0.6837 0.4135 0.9080 0.7013 1.8813 0.9291 1.1446 0.3166 0.5366 0.5351 1.7236 1.4008 0.6134 1.7184 1.0051 0.1395 0.4617 0.6622 0.4260 2.0706 0.9945 2.0955 1.6846 3.4890 0.8029 2.0179 1.4832 1.0582 1.9394 3.2157 3.1578 1.0521 2.6423 0.6929 1.2315 0.4814 6.5733 0.1395 0.5925 0.5078 0.5750 4.8651 1.2183 0.3451 1.4772 1.9520 0.4824 0.6353 1.3192 0.8174 5.3340 2.3395 1.1028 1.5892 1.0177 6.7848 1.2002 0.8361 0.3952 0.3144 0.4862 1.3549 1.2378 0.6447 0.4546 1.0698 2.0321 1.7436 4.6845 1.5441 1.7846 0.6369 2.3108 0.9232 0.9949 1.4872 2.0319 0.6307 0.2592 0.1812 0.6405 1.1653 1.4033 0.5776 0.4415 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 1.0393 1.0386 0.9413 0.7750 0.5917 2.6767 1.4156 0.6486 2.5434 0.9748 0.2329 1.0666 6.8576 0.3950 1.9318 1.2464 0.8914 0.4522 1.3230 0.6714 0.5770 0.6492 0.5860 1.7884 1.0587 0.4490 1.3415 0.8849 0.5283 1.7754 0.1953 1.2837 1.1797 2.1856 1.7922 0.6620 1.9823 2.0659 0.9289 1.6106 0.9021 0.4426 1.0765 1.5465 0.5932 0.4142 1.9040 0.3176 1.0033 0.6970 2.5072 0.5053 0.5288 0.9078 0.8919 1.4898 0.5864 3.9934 0.5670 0.6271 0.9885 1.0706 2.1710 0.9332 1.0964 1.8545 0.9939 1.7966 2.2256 1.1105 1.1220 7.1863 3.5156 2.0251 5.2894 1.7612 1.8428 0.5241 1.4824 0.5065 0.7575 0.2882 0.4697 0.4921 0.6706 1.5641 0.9517 0.9504 1.0612 6.4714 0.8859 0.6382 1.8969 2.9700 0.7522 0.9967 2.8740 2.9985 0.4638 0.7452 1.0256 0.2916 0.4773 1.5467 0.8569 1.7837 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 0.7380 1.1701 0.5775 0.6875 0.8829 2.6389 0.9382 0.5201 1.4065 0.6528 0.3687 0.5838 5.0805 0.2990 1.0866 0.7713 0.7868 0.7041 0.8302 0.7523 0.9319 0.7244 1.0641 1.9766 0.6872 0.6721 1.8394 0.5626 0.9069 1.2230 0.3851 0.8382 1.4831 1.4785 1.1935 0.6891 1.3723 1.1581 0.5594 1.0104 0.7730 0.9998 1.3599 1.5399 1.7372 0.3670 2.3088 0.6014 1.1418 0.7800 2.4770 0.6828 0.5251 0.9959 1.3504 0.9678 0.6541 2.7003 0.6474 1.0002 0.5873 1.1316 2.6407 1.1775 0.7673 1.1272 1.3917 1.0911 1.2495 1.7218 0.8678 4.8828 4.3592 1.2037 2.8648 1.3404 3.1271 0.7836 0.8863 0.6876 0.9616 0.5259 1.0787 0.8557 0.6071 1.0207 0.8554 1.1915 1.8714 4.2933 1.2282 1.3142 1.2902 1.9532 1.1042 1.3122 3.2409 1.7584 0.4341 0.7492 0.7495 0.5531 0.6510 1.9481 0.5049 1.0276 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 0.6449 0.8018 0.5505 0.3460 0.9111 2.2679 0.5532 0.3375 1.5665 0.6067 0.1635 0.5200 4.1979 0.4851 0.8773 0.5989 0.8443 0.8128 0.5492 0.5643 0.7166 0.6681 1.0153 2.0784 0.7187 0.7467 1.6272 0.4141 0.9095 1.4987 0.1977 0.9244 1.3484 1.4887 1.2395 0.8338 1.2309 0.9344 0.4019 1.0361 0.8837 0.9717 1.1798 2.1971 3.8173 0.9612 2.5966 0.6296 1.1937 0.8315 2.3365 1.9626 1.0003 0.8120 1.1678 1.0330 0.6172 4.0011 0.5189 1.2722 0.7438 1.0461 3.1594 0.9869 0.5851 0.7569 1.5881 1.4032 1.1226 2.2789 1.0760 4.9199 4.2223 1.0238 2.8984 1.0583 4.8554 0.7276 0.7746 0.6892 0.9668 1.1426 0.9997 1.3136 0.4903 0.9079 1.6229 1.8811 1.7940 4.4955 1.6361 1.5875 1.1551 2.2403 1.3995 1.6524 2.8763 1.3210 0.5777 0.3534 1.0676 0.8563 0.5581 1.8361 0.4977 0.7219 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 0.7322 0.8566 0.5892 0.3610 0.9889 2.4432 0.6238 0.3649 1.5591 0.6298 0.2023 0.6308 4.2500 0.4941 0.9921 0.6114 0.7064 0.8042 0.6419 0.6125 0.6819 0.6597 1.0236 2.2066 0.7382 0.7349 1.5982 0.4935 0.8192 1.2552 0.2543 0.9744 1.3422 1.4634 1.1785 0.9244 1.3388 0.9044 0.5035 1.0620 0.8162 1.0341 1.1905 2.1381 3.9260 0.9937 2.5402 0.6570 0.9461 0.7070 2.3677 1.8686 0.9949 0.8381 1.2807 1.0051 0.5839 4.0719 0.5769 1.2759 0.6515 1.1229 3.0390 1.0137 0.6499 0.7438 1.5884 1.4548 1.2017 2.2529 1.1771 5.3681 4.7620 0.9157 2.9386 1.0115 5.7040 0.8079 0.8536 0.7054 0.8985 1.0578 1.0733 1.2058 0.5551 0.8843 1.7053 1.8227 1.8661 4.5145 1.5424 1.3691 1.0490 2.2013 1.2862 1.5636 3.1384 1.4891 0.6176 0.4088 1.1299 0.9158 0.5713 1.7477 0.5234 0.8232 palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) 1.0642 1.3551 1.0025 1.0234 1.0423 0.7270 1.1216 1.0365 0.8738 1.8416 1.4754 0.9856 1.2192 1.1863 1.0219 1.1119 1.0302 0.9342 0.7168 0.9696 1.4206 0.7802 0.7645 1.1993 0.8962 0.8147 0.8848 0.8265 1.0011 1.1096 1.1204 0.8999 1.1182 0.9989 0.7017 1.4591 0.7768 1.0519 1.1417 0.6708 1.1047 1.2405 1.0378 0.8642 1.0114 0.8175 1.0940 1.2291 0.9344 0.7342 0.9425 0.9558 1.0272 0.8995 0.9352 0.6445 0.9259 0.8594 1.3235 0.9746 0.8590 0.9702 0.8220 1.0145 1.2076 0.8652 0.7249 1.0181 1.1305 0.6107 1.0142 0.7894 1.4153 1.2241 0.8066 1.8389 0.7001 1.1351 0.8699 1.4503 0.9707 1.1435 0.8732 0.9925 0.8834 1.1085 0.9135 0.7303 0.8262 1.0344 1.4228 0.7886 0.6213 0.8956 0.9365 0.6735 0.8489 1.4547 1.0698 1.2463 0.9413 1.1392 1.2066 1.5337 1.1430 1.7320 palmitoylcarnitine (C16) 0.9915 0.6791 0.5638 0.2907 0.7233 1.4804 0.6692 0.3474 1.0895 0.2460 0.5310 1.2130 0.9362 0.9813 1.0443 0.8821 1.0013 0.5147 0.5784 1.1676 0.9363 0.5714 0.5715 0.9977 0.8665 0.3894 0.8611 0.5126 1.2657 0.9349 0.5206 0.7192 0.8192 1.4430 1.0251 0.7214 0.7781 1.1189 0.7206 0.8085 0.9987 0.5947 0.9726 1.2917 2.6364 0.8737 0.4871 0.9251 1.5308 0.8161 1.5524 1.3165 1.4840 1.0493 0.4063 0.8418 0.8941 1.2661 0.6239 0.7742 1.2061 1.2584 1.6037 1.1958 0.7708 1.1771 0.8768 1.0699 1.2551 1.2756 1.7777 2.0957 2.0756 0.8016 0.9351 2.0362 0.6834 1.8513 0.8256 1.1739 1.2269 2.1305 1.5714 1.1839 0.7580 1.0256 1.5663 1.3281 1.1570 2.1540 1.9183 1.4370 0.8702 0.8746 1.1367 1.3658 1.9015 1.4621 0.7794 0.7327 1.9993 1.2402 1.3962 1.7472 1.3588 1.7343 palmitoylcholine 1.1342 0.9311 3.9017 4.7583 2.6430 1.8127 1.9142 6.1638 1.7537 7.3845 1.9059 0.7786 0.7356 0.1635 1.7154 0.9010 1.4650 1.8526 0.8056 0.6748 1.2331 3.7367 0.6461 1.0508 0.6244 7.2015 3.1241 3.1952 0.2846 1.0211 4.1216 2.0919 0.7005 2.3776 0.6077 0.6321 0.9996 0.9888 1.6470 0.8668 2.8724 1.7412 0.6527 0.4594 1.2859 0.6783 0.7606 2.6119 1.5742 2.8741 2.9015 0.4141 5.9177 0.8685 2.8504 0.5799 1.2228 1.0199 1.1387 1.9318 0.7875 0.5458 0.4313 0.7336 1.1165 0.5881 0.4495 0.4218 2.8572 0.3074 0.3850 1.4269 0.3830 0.6052 0.2876 1.5789 0.3829 0.9882 1.1806 0.6942 1.2915 1.0356 0.5299 0.5690 0.2148 0.6205 0.3826 0.3904 0.1210 2.2943 0.4167 1.0004 0.2279 0.4201 0.6530 0.8000 0.8990 1.4366 2.0793 1.1078 0.6423 1.2978 0.8947 1.0608 1.4247 4.8832 pantoate 1.2790 12.4760 1.0368 8.3777 0.8057 0.7747 1.2131 0.4622 0.7573 2.0986 1.1168 1.8058 1.3528 1.2253 1.8137 0.7924 2.3056 1.3097 1.2087 0.6845 0.7669 12.9315 1.1670 1.3290 0.5681 1.3592 4.3234 1.1115 3.8520 0.7921 1.5059 1.2665 1.0808 2.5695 0.9005 0.6693 0.7418 1.9925 2.5673 0.7287 0.8515 0.7804 1.2264 0.7745 1.3386 2.1900 0.7063 2.8654 0.6183 1.8545 0.8473 0.6328 1.4236 0.8300 1.1172 1.1661 0.6409 1.6542 1.2575 1.0240 2.2013 0.8899 0.6184 0.9957 1.3072 1.0043 0.6504 0.8431 1.2198 0.8548 0.4753 2.2184 1.4844 0.4693 0.2959 2.0579 0.8599 1.4725 0.8019 0.6715 0.7105 0.6052 1.6984 1.2608 0.6009 0.5568 0.2959 0.3693 0.4589 3.3544 0.8904 1.4024 0.6315 0.6323 0.4871 0.5885 0.6255 0.9008 0.6666 0.9445 0.9198 0.4451 0.8360 0.2959 1.1593 1.1132 pantoprazole 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.9542 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 6.9737 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 13.6648 0.0956 0.0956 0.0956 0.0956 0.0956 0.2133 0.0956 0.0956 0.0956 0.0956 0.7523 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 1.3319 0.0956 0.0956 0.0956 1.0458 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 0.0956 pantothenate 1.1334 2.1328 0.6799 0.5714 1.9355 0.6762 1.1456 0.7597 0.7761 1.6302 0.9943 2.6884 1.2390 1.8023 1.8789 0.6791 1.9489 1.0283 0.8457 0.8874 1.0693 0.6710 1.3849 1.2780 1.2394 0.6785 5.6449 0.6165 3.3073 0.5162 0.7904 2.0866 0.8551 1.0663 0.7580 0.6285 1.0395 0.9145 1.5867 0.9364 1.6016 0.8801 1.6112 0.9211 0.9720 0.6361 1.0149 1.7683 0.7703 1.1733 0.8150 1.0057 1.6811 0.7633 1.5999 0.8988 0.6680 1.7219 0.9610 0.8393 0.7583 1.1628 1.1196 0.8817 0.7990 1.0092 1.3701 1.2297 1.4836 1.2447 0.8744 2.4554 2.8083 1.0191 0.6839 4.1735 0.7629 1.6506 0.7365 1.3879 0.6136 0.8927 4.2464 2.3097 1.0970 0.7412 1.2937 0.6860 0.7229 1.7446 0.9788 3.0530 1.4378 1.3349 0.9817 1.4258 0.7384 0.7411 0.6739 0.6844 1.2566 0.5762 0.9178 0.9642 0.7546 0.9582 paraxanthine 1.2406 0.9128 1.3448 0.0752 0.9368 0.2975 0.6469 0.1036 1.5792 0.1157 1.9606 0.9869 1.4887 1.6361 1.4068 1.0973 1.8330 0.9385 1.0435 1.7860 0.3247 1.1656 2.7644 0.9354 0.8114 1.3638 1.2700 1.9932 1.0937 1.0067 2.0270 0.5968 2.6651 1.1410 2.5322 3.4855 1.4887 3.2272 1.8183 0.9933 0.0752 0.5126 2.0278 0.9231 0.6320 2.5253 1.1007 0.5050 2.1739 0.7599 2.4122 0.1258 1.7669 1.2325 0.6011 0.4772 1.9213 1.0970 1.7448 0.1598 3.2007 1.7954 0.4693 0.2454 1.2559 2.0119 0.7349 0.6153 0.8661 0.0957 0.6393 1.0490 1.6431 0.1769 1.9868 0.4270 0.4576 0.6361 0.4607 0.8015 1.2071 0.5516 1.0113 0.5953 1.3181 1.8550 0.1287 0.4661 0.0752 0.3608 0.8662 0.4897 0.9557 0.3991 0.0894 0.7495 1.6505 0.9884 0.4646 0.2957 1.1094 1.0699 1.3028 0.4544 0.7478 1.3134 pentadecanoate (15:0) 1.0488 0.9571 1.0006 0.4912 1.7898 1.4821 0.8994 0.4151 1.2285 0.5932 1.1234 1.3709 0.9266 0.9828 1.9807 1.2351 1.5090 0.6898 0.6280 0.7256 0.7047 0.4653 1.3521 0.9618 0.8513 1.0239 0.9477 0.9896 1.3199 1.5416 1.1193 0.7889 0.9312 0.8063 0.7642 0.9218 1.0172 0.7645 0.9649 1.4212 0.9635 0.7571 1.0055 1.3837 1.0350 0.8379 1.1183 0.7818 1.5803 0.7664 1.0037 1.6658 0.7436 1.4231 0.5557 1.0517 1.2135 1.0414 0.8081 1.3123 0.8664 0.8425 1.6309 1.1393 0.6549 0.9845 1.0574 0.7075 0.9994 0.8763 0.9168 3.0476 1.7397 0.9363 1.4851 1.2227 0.9981 1.3272 1.5103 1.5156 0.9681 1.5002 1.5646 1.5024 0.8533 0.8531 0.9839 0.9570 4.0593 2.0073 1.3445 1.0954 1.0422 0.9675 0.8141 1.4976 1.8679 0.8908 0.6068 0.7729 1.3468 0.8440 1.1921 1.3909 1.0518 0.7493 pentose acid* 3.3758 1.6490 0.4546 6.6176 0.5382 0.4953 3.0256 0.8788 0.9478 1.6773 2.6025 1.4096 0.7248 0.3320 0.5506 0.9804 0.5891 2.6686 3.0139 0.8016 0.5882 1.1927 1.4301 0.6825 0.4763 4.8622 1.8259 0.8192 0.8227 0.8000 3.0724 0.7184 2.0674 5.4215 0.7716 2.3039 2.0211 0.9964 4.8739 0.4410 1.5960 1.2035 0.7422 2.3326 0.7396 9.8393 0.4600 2.2551 0.3244 1.2696 0.4639 0.5026 0.8579 1.9378 5.1194 0.8456 0.2972 6.1401 3.3953 1.9640 1.6203 0.7094 0.8449 1.2949 1.2026 1.0036 1.3623 0.8666 0.9232 2.3602 0.5796 1.3774 1.2424 0.3743 0.7637 0.5471 3.1956 2.7170 0.5623 0.2932 0.7263 0.4571 3.0725 1.4428 0.4235 0.4442 1.3527 1.1315 1.1364 2.5474 7.6422 0.9435 0.9657 0.2870 1.1109 0.7802 0.4126 1.9461 1.5164 3.9652 0.4902 0.3415 1.2914 0.8877 3.6434 0.3529 perfluorooctanesulfonate (PFOS) 0.9030 1.5341 2.7256 1.8925 1.2662 1.7050 1.1632 1.1853 1.0647 1.7456 1.0341 1.5823 0.6448 0.3223 1.8773 1.7916 0.7886 4.6819 1.0312 1.0438 0.6541 1.9829 0.5483 0.6594 1.0091 1.4337 1.5721 0.7689 1.3328 1.0466 0.8679 2.0432 1.6549 0.7328 1.8181 0.8685 0.4709 0.7333 1.4831 1.1571 0.3314 1.9377 0.9464 0.8022 0.6534 0.8989 1.1287 0.8641 0.5036 0.5082 0.6567 1.2512 1.2607 2.4396 0.4601 1.6571 0.7327 0.7569 0.8000 1.0325 0.8371 0.7447 0.8378 1.5562 1.2215 0.7805 0.3978 0.6399 0.8179 0.8155 1.8077 1.1310 1.1881 0.4881 0.8456 2.7426 0.6223 1.1738 1.0426 0.5230 2.5370 0.7882 0.9019 0.8916 0.5835 0.8831 1.7892 0.6538 0.6492 1.0300 0.7632 1.2470 0.7253 0.5830 0.9909 0.5953 0.2624 1.6781 0.7331 1.6399 1.8394 1.0928 1.6927 0.5975 1.9138 1.5704 perfluorooctanoate (PFOA) 1.0016 2.1317 4.3196 0.8389 1.6908 1.3754 1.0726 1.2204 0.9033 1.3732 0.8682 1.1973 0.7699 0.7151 0.8151 1.2702 0.6175 0.9187 0.7048 0.9335 0.7847 1.6045 0.7573 0.5716 0.7705 1.0846 1.3418 0.9908 1.0363 0.8320 0.5404 1.2928 1.2651 0.8264 1.4181 1.0182 0.7675 1.5961 1.6194 0.7314 0.2989 1.9304 1.5434 0.9984 1.1524 1.6059 1.3556 1.5927 0.8944 0.4362 0.9029 0.9274 0.6017 1.1182 0.5301 1.2956 2.3364 0.9746 0.8483 1.4063 1.6443 1.8390 1.1126 1.1355 1.2143 0.9896 0.6243 1.0406 0.9294 0.9347 1.9216 0.5605 1.4376 0.2517 0.6970 1.5685 0.4262 1.3541 0.7457 0.6653 1.4685 0.7487 0.5299 1.0039 0.5982 0.6372 3.2423 0.5314 0.2715 0.6937 1.2416 0.9242 1.0575 0.4264 1.7348 0.8093 0.5527 2.8118 0.4996 1.5468 4.0372 1.6223 2.0779 0.8058 1.7495 1.5153 phenol sulfate 0.7402 1.2881 4.1936 0.7265 0.4114 4.2915 1.8288 0.6740 0.7905 0.6386 1.2457 0.7683 0.9913 1.5060 1.1389 1.0996 0.6788 0.8068 2.9191 0.8323 0.8007 0.9697 0.3430 1.8061 5.4084 0.4049 0.9749 0.3818 1.4770 0.4777 0.8096 0.9401 7.8051 1.4925 1.2397 2.5739 4.1801 1.0532 0.8337 0.4839 0.4604 1.8875 1.0157 1.7433 1.7966 1.0114 4.2056 5.3196 7.7790 1.4560 1.5484 0.5698 0.6592 0.9755 3.7575 0.8460 0.8050 0.5185 0.8641 1.3616 0.6119 0.7919 1.6196 3.2712 1.3940 2.3086 1.3269 0.3507 9.4243 1.0582 3.3870 0.9871 4.1256 0.3574 0.3661 0.5078 0.2898 0.9893 8.0680 2.8481 1.2619 0.6977 0.7791 1.4088 0.5323 0.5509 3.2552 2.0881 1.5073 1.0144 1.8683 1.0087 4.3569 0.8951 0.5560 0.3411 0.5135 3.9048 1.1003 0.7195 0.6767 0.4310 0.6007 0.5824 1.0185 0.6605 phenylacetate 0.4127 0.9824 1.7419 0.3517 0.3502 0.5387 1.0282 1.2164 0.5732 0.7473 1.1027 0.2948 3.0567 0.5409 0.3744 1.2212 2.0741 1.8074 1.5974 1.6758 0.3223 0.7078 0.4829 1.3138 0.1708 0.1708 0.9240 1.4785 1.3756 1.1360 4.4390 0.3735 1.2739 2.0178 1.1969 1.5708 0.6323 0.4334 1.1224 0.8592 1.8177 1.8342 1.0000 0.3955 0.5721 0.1708 0.3098 1.1585 0.9004 0.9272 0.1708 0.1708 1.9822 3.6755 1.0268 1.0721 1.7548 1.0821 1.0220 2.6605 0.1708 1.4547 1.5511 0.6739 1.4351 0.2378 0.1708 0.4891 1.0307 0.1708 0.7444 1.8598 0.6188 0.7431 0.1708 1.2501 0.1708 0.2934 2.2481 1.2731 0.6633 0.5582 1.5936 0.4563 0.7707 1.0517 0.8870 0.1708 0.1708 0.7818 0.4650 1.5201 0.1708 1.7950 1.4566 0.1708 2.3688 0.5840 0.7993 0.8010 0.7014 0.7779 0.8754 0.3124 2.2075 0.8592 phenylacetylcarnitine 0.2238 0.2238 0.2238 0.2238 0.2238 0.3957 0.3230 0.2238 0.2238 0.2238 0.2238 0.2238 2.2041 0.2238 0.2238 0.2238 0.7119 0.2238 1.9773 1.0000 0.2238 0.2238 0.2238 0.5927 0.2238 0.2238 0.4786 0.2238 0.2238 2.7184 0.9516 0.2238 0.8867 1.3554 1.4490 0.2238 1.0256 0.2238 0.2238 0.2238 2.8664 0.2620 0.2238 0.2238 0.9790 0.2238 0.2238 0.5286 1.0813 1.8960 0.2238 0.2238 2.2805 6.0282 0.5141 0.7783 2.6729 2.3717 0.2238 1.0089 0.2238 1.2173 1.9379 0.6983 0.2238 0.2238 0.5974 0.2702 2.7529 0.2238 1.5264 2.2271 0.2238 0.2238 0.2238 0.2581 0.2238 0.2904 0.8683 0.2238 0.4264 1.7122 1.0208 0.9455 0.2238 0.2238 0.5920 0.2238 0.2238 0.2238 0.6288 2.7598 0.2845 3.7492 1.8253 0.5938 4.5051 0.4397 0.2943 0.2238 2.1942 0.2861 0.2238 0.2238 1.9297 1.6646 phenylacetylglutamate 0.5795 0.4696 0.3119 1.0028 0.3119 0.3119 0.9402 1.2934 0.6033 0.6225 0.8662 0.4469 1.8192 1.0778 1.1235 0.3119 1.7517 0.4834 1.7611 0.5577 0.3119 0.6103 0.8923 0.9334 0.5513 0.3119 1.9103 0.9175 0.3119 1.4425 1.0442 0.3867 0.3119 1.7123 0.6652 0.7193 1.2487 1.8427 1.5855 0.3119 0.9421 0.6264 2.3851 0.3119 0.3595 1.4452 1.1373 1.2315 0.8545 0.3119 0.5442 0.3119 0.3119 0.9972 0.3119 0.8502 0.3119 1.5525 0.3119 1.7240 0.6454 1.5896 0.8849 0.7994 1.6104 1.9651 0.3119 1.2114 1.9782 0.8390 2.7891 2.3312 1.6607 0.6489 1.0991 0.3119 1.4599 1.4895 2.5800 1.2938 1.0792 0.3119 1.7201 0.7368 0.8069 0.5803 0.3602 0.3119 0.4556 3.7133 0.7031 0.9164 1.2252 0.3119 2.2109 0.3934 1.8126 1.2892 0.9922 0.7969 1.6625 0.3119 1.1324 0.5196 0.9778 0.3119 phenylacetylglutamine 0.5577 1.2651 1.4605 0.2902 0.3433 0.5731 0.8329 1.5019 0.8543 0.7504 1.1750 0.6556 2.1056 0.9326 0.6010 1.5605 1.2914 1.1413 1.3114 1.3244 0.3827 0.7798 0.8902 1.3471 0.2775 0.8739 1.2150 1.1857 2.2395 1.2869 1.3782 0.2215 1.9204 2.4501 1.1877 1.0016 0.7701 0.7477 1.3844 0.6147 0.8001 1.1027 1.3202 0.7854 0.8417 0.2371 0.3177 1.5178 0.9984 1.4870 0.5037 0.8670 1.5211 1.7030 1.1348 0.8847 1.3522 1.4983 1.4363 1.4137 0.4901 1.5981 1.3249 0.8967 1.8669 0.3763 0.6659 1.1157 1.7717 0.4655 1.1116 2.1381 1.1496 0.7880 0.5112 1.1548 0.3394 0.9278 1.3844 1.0223 0.7292 1.3250 1.7208 0.8195 0.8551 0.9741 0.9738 0.3764 0.3805 1.3432 1.2599 1.3849 0.2364 1.5045 1.2883 0.5282 1.7374 0.6023 0.7513 0.9530 0.8836 0.8277 0.8227 0.3320 2.2208 1.1097 phenylacetylglycine 1.1499 0.2210 0.2210 1.3237 0.2210 0.7830 0.9247 1.7210 1.0419 1.2728 1.9829 0.9876 1.8847 0.2210 0.2210 0.4318 1.2414 1.0509 1.9121 0.2210 1.9015 2.4683 1.0407 0.5278 0.5624 2.3112 0.7449 0.3826 1.0124 1.1006 1.3359 1.2792 1.1781 1.4670 0.2210 0.2210 0.8081 0.8051 0.8841 0.2210 0.6375 0.7045 1.6304 0.2210 0.2210 1.1718 0.9375 0.2210 0.8408 1.7833 0.2210 3.0861 0.2210 0.3330 1.3232 0.2210 0.2210 2.3774 1.5806 1.0816 0.2210 0.5674 0.5670 0.2266 1.4982 0.2210 0.6893 0.8866 1.1608 0.2210 0.2210 0.6385 1.0415 0.8040 0.2210 0.4735 0.2210 0.5775 0.2210 0.2210 0.3427 0.2210 0.7147 0.2210 0.2210 0.2210 0.2210 0.2210 0.2210 1.2108 0.2210 0.2210 0.2210 0.2210 0.2580 0.2210 0.7018 0.3093 0.2210 0.2210 0.2210 0.2210 0.2210 0.2210 0.6690 0.2210 phenylalanine 1.1241 1.2043 1.0375 0.8842 0.9033 0.8382 0.8586 0.9408 0.8984 0.9676 1.2123 0.8998 1.0201 0.8888 0.9687 0.9089 0.9888 1.1295 1.3036 1.0457 0.9085 1.0291 1.0763 0.9379 1.0948 0.9180 1.0682 1.0639 1.0369 0.9918 0.8552 1.0268 0.9799 0.9766 1.1062 0.9528 0.8772 0.9229 0.9596 1.0662 0.9501 0.8459 1.3004 1.0803 0.8685 1.3013 0.8821 1.2189 0.9418 0.8764 1.2127 0.9605 0.9063 0.9106 0.9563 1.0290 0.8000 1.3239 1.0150 1.0729 1.0344 1.0240 0.9671 1.0974 1.0024 1.0515 1.0876 0.8155 1.1601 0.8912 1.1536 1.1443 0.9976 0.6687 1.2051 1.1116 0.6524 0.9400 1.1111 0.9129 1.0658 1.0792 0.9901 1.1268 0.8796 0.8961 1.1375 0.8077 1.1106 0.9432 1.0116 1.1611 0.9909 0.9796 1.2535 1.2202 1.0843 0.9568 0.9385 1.2376 1.0296 0.8911 1.0284 0.7849 1.0509 1.0692 phenyllactate (PLA) 1.1363 0.9944 1.2074 1.0380 0.8132 0.5679 0.6993 0.9336 0.8190 1.4251 1.7596 1.0660 6.5194 1.5495 0.9612 0.9262 0.8643 1.0235 1.8693 1.9698 0.5969 0.7524 0.6196 1.1382 0.9869 0.8956 1.5458 1.1678 0.6514 0.9702 0.9461 0.9907 1.2295 1.8199 1.6062 2.2672 0.9654 1.0759 1.6661 1.1734 0.4482 1.0351 1.4263 0.8580 1.2299 1.3756 0.8236 1.0865 0.7564 1.7751 1.0181 2.4153 0.4430 1.4075 0.6411 1.2412 0.7667 1.5920 1.2353 0.9850 4.5868 0.8307 0.7240 1.2173 0.8045 1.6791 0.9814 0.9809 0.9357 1.2116 2.5541 0.8006 1.1103 0.4794 0.8958 0.6282 0.7234 0.6713 1.3727 0.7134 0.8578 1.0181 0.6636 0.9662 1.1520 0.7840 2.2280 0.9301 0.8091 1.1098 1.0056 0.9775 0.9364 0.6838 1.4076 1.2435 0.8593 1.3149 1.3336 1.9536 0.9126 0.8320 1.1220 0.4215 1.2974 1.1202 phenylpyruvate 0.8714 1.6356 0.9785 0.9661 0.8791 0.8028 0.7971 1.4531 0.9041 0.7388 1.5438 0.6902 1.7778 0.9602 1.1384 0.5107 0.8555 1.2338 1.8351 1.1264 0.5637 1.1918 0.8253 0.9107 1.0772 0.8487 0.8707 1.0087 1.1704 0.7864 0.5715 1.2153 1.0985 0.9141 1.3510 1.0702 0.6732 1.4341 1.2263 1.0209 0.4214 0.7555 1.3294 0.8387 0.7725 1.2017 1.1205 0.8579 1.0004 1.3502 1.3726 0.7887 0.4266 1.1097 1.0303 0.9945 0.4473 1.5660 1.4057 0.9723 1.2645 1.2257 0.8820 1.0114 1.1091 1.1985 0.9395 0.7809 1.0492 0.6840 1.7191 0.9743 1.0318 0.3946 0.9718 0.7041 0.4116 0.5749 1.0738 0.8680 0.8560 0.6838 1.1900 1.2739 1.2078 0.7057 1.2317 0.4490 1.0255 1.4806 0.8817 1.4731 1.3000 1.0874 1.8605 1.6610 0.8568 0.6015 1.1966 1.2106 0.9996 0.8401 0.9180 0.4442 1.0609 1.3672 phosphate 1.1608 1.2557 1.0462 1.1057 0.9066 1.0600 1.1820 1.0074 1.2237 0.8262 0.9064 0.9636 0.9096 0.8745 0.9756 1.0442 0.8717 1.0736 0.9799 1.0008 0.7961 0.7969 0.9615 1.1583 0.8293 0.9511 0.8619 1.1803 1.1678 1.2830 1.0201 1.1691 1.0211 0.8331 0.9397 0.8830 0.9742 1.0715 0.7100 1.2426 1.1834 0.9354 0.7397 1.0415 1.0246 1.1310 1.0635 0.9243 1.1113 1.1560 0.9498 1.0706 1.0615 1.1368 0.9325 0.9766 1.0948 1.1378 0.9464 0.9992 0.8818 0.8776 1.0568 1.1119 1.1743 1.0531 1.1923 0.8637 1.0505 0.8110 0.8737 1.4047 0.9901 0.8313 0.7390 1.1962 0.7871 1.1289 1.0035 1.0897 0.8343 1.1424 1.1787 1.1915 0.7718 0.7673 0.8662 0.7408 1.1113 0.9553 1.0247 0.9611 0.9606 0.9221 0.8139 0.9486 1.1684 1.0259 0.9585 0.8827 1.2121 0.8701 1.1330 0.9817 0.9012 1.0341 phosphoethanolamine 1.1249 0.6596 0.2842 0.7075 0.7222 0.7569 1.2976 0.6765 1.0182 0.5368 0.3488 0.7966 1.0183 2.2072 0.5564 1.3385 0.8347 0.5961 1.2774 1.0652 1.2540 1.1552 0.9545 1.3907 0.9746 1.3396 1.0098 0.5286 1.2295 0.9978 0.5399 1.4561 0.8589 1.0447 1.1175 1.2144 0.9035 1.6529 0.6275 0.8637 0.7090 1.1961 1.2065 0.8233 1.1120 0.7726 0.6921 0.4536 1.5442 0.8270 0.8980 1.2637 0.9670 1.3773 1.1047 0.7347 1.2017 1.0058 1.2397 0.8801 1.3393 0.6754 0.8409 1.0503 0.8742 0.7593 0.7297 1.4108 1.2920 0.5666 0.9405 0.8569 1.4217 0.6778 0.9218 1.3981 0.5918 0.7391 1.0057 1.2463 0.8612 1.1885 0.8558 1.3445 1.1759 0.7285 1.4949 1.2269 1.4642 1.0022 1.1692 1.0353 1.2329 1.0544 1.3957 0.9337 0.8860 0.9402 0.9394 0.7667 0.7853 0.9080 1.0970 1.4394 1.0199 1.5251 picolinate 1.9314 1.6629 1.8444 1.1369 1.0812 0.6866 1.4979 0.5694 0.8539 0.7623 1.3121 0.8187 2.8575 0.9869 1.2665 0.9549 2.4872 1.1960 2.5157 1.6255 1.7075 0.3404 1.5557 0.7887 0.3404 0.8294 0.7168 1.6740 1.3703 1.1858 2.1577 2.4805 1.0961 0.9744 1.3604 0.8187 0.6950 1.2615 1.1983 2.7258 0.7319 0.9480 1.1559 1.0251 0.5814 1.4950 2.0175 0.9386 1.0381 0.9899 1.1638 1.7684 1.0254 2.1304 0.7005 1.6247 0.4715 1.4408 1.7915 1.2073 0.9137 1.2375 0.8918 0.6650 1.1736 0.9939 0.5755 0.8336 0.4401 0.5172 0.6741 0.9277 0.3404 0.3404 0.5972 0.3404 0.3404 1.4674 2.2370 0.5704 0.3404 0.9476 1.0779 1.1106 0.7849 1.5606 1.3726 0.5068 0.5342 0.3404 0.5614 0.7534 1.0431 0.6981 1.0000 0.5978 0.6409 0.6385 1.0495 0.9033 0.6608 0.4165 0.6897 0.8231 1.7689 0.9199 picolinoylglycine 1.1514 2.0110 1.1807 0.9066 0.6491 0.6766 0.7577 0.8637 1.0934 0.7913 1.4204 0.9817 1.5358 0.9150 1.1769 0.5660 1.3717 1.6405 1.6591 1.2462 0.8030 0.5862 1.7127 0.8048 0.8851 1.6222 1.0817 1.1481 1.0671 1.2933 0.6345 1.4915 1.1307 1.5821 1.3868 0.4067 0.7605 1.1711 1.3185 0.5286 0.6282 0.9493 1.5599 0.7058 0.5492 1.5222 1.0873 1.3462 0.7150 1.6954 1.0425 1.9818 1.0838 1.2563 0.8298 1.1117 0.3149 1.9654 1.4806 1.3585 1.2075 1.2084 0.6680 0.9128 2.1989 1.1476 1.1224 1.3761 1.3281 1.2019 1.0055 0.8511 0.8923 0.6423 0.9246 0.5801 0.3812 0.6955 1.0863 0.2858 0.7280 1.3135 1.8353 1.1136 0.7022 0.7319 1.3503 0.3754 0.7340 0.6279 1.4762 1.3372 0.5302 0.6128 0.9088 0.9122 0.7197 0.6629 0.8153 0.9945 0.9151 0.4455 0.3709 0.4669 1.0738 0.9383 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 0.2660 2.3475 0.2660 0.2660 0.5779 0.3790 0.2660 0.5622 0.5986 1.9982 1.6177 0.2660 0.9617 0.7537 0.5496 0.2660 0.2660 0.2660 0.2660 2.5815 0.2660 0.8610 0.2660 0.2660 0.7440 2.1591 0.2660 1.7224 0.2660 0.2660 2.7183 0.2660 1.3664 4.2687 0.2660 0.2660 0.6235 1.3666 0.2660 0.2660 0.2660 0.4802 1.5154 0.4128 0.6207 1.2383 0.3766 2.9916 0.6628 1.6696 0.2660 0.2660 1.9207 0.2660 0.2660 0.2660 0.2660 0.8535 0.2660 0.7655 1.1143 0.8457 0.6935 0.8275 0.2660 2.1439 1.0059 1.3321 2.3311 1.0031 0.2660 1.6641 2.0486 0.3911 0.2660 1.1178 0.9023 1.9540 2.6651 0.7535 1.1046 0.2660 1.0000 1.0448 0.3277 0.2660 0.2660 0.5403 0.7506 0.2660 2.9664 0.2660 0.2660 0.7438 0.6360 0.2660 0.5081 1.3396 0.8120 0.5413 1.6688 0.8000 1.8550 0.8820 2.5544 2.9983 pipecolate 0.8080 0.6105 0.5975 1.6014 2.8565 0.9605 1.0297 0.4483 0.6701 1.3461 1.5793 0.9070 1.3478 0.4766 0.7483 0.6734 0.6503 0.9810 0.8090 0.9494 0.7686 0.7943 1.6756 0.6833 0.6551 1.1278 1.2528 1.1263 0.5188 0.7251 1.2523 0.9559 0.8309 0.8940 1.3935 1.0726 1.1921 0.7694 0.9226 1.0648 1.0642 0.9796 1.1962 1.7161 1.5244 2.0561 1.1536 1.2400 0.6015 1.1143 0.8309 6.7706 1.7609 1.3856 1.0631 0.6674 0.9022 1.7074 1.0523 1.3281 1.2978 1.1240 0.7040 0.9264 0.7601 0.7328 1.0945 0.9260 0.7530 0.9613 1.4529 1.7835 0.6704 2.2371 0.9911 0.8370 1.2363 1.0089 0.7942 0.4445 0.6447 1.1692 0.8978 1.0931 1.0749 0.4617 1.8275 1.0367 0.6213 0.8501 0.7580 1.9660 1.1288 1.4483 1.0226 0.7212 1.6312 1.6708 0.7798 1.1348 0.9611 0.7641 1.7305 1.1825 1.5447 0.9134 piperine 2.3179 1.8407 1.9036 0.3470 5.2586 2.5236 1.0583 0.9116 0.5890 0.3679 0.3808 1.4447 4.6706 0.2881 0.0171 1.0539 2.8027 0.7073 0.7233 2.9442 1.7032 6.3573 1.7062 0.1326 1.8910 3.3150 0.3041 0.0171 2.0953 0.1638 4.9029 3.5824 10.4842 3.0167 0.4534 0.4193 0.1916 0.1849 0.2806 3.3561 0.7354 0.7631 0.5217 0.6061 2.3816 2.7892 1.4289 2.2466 0.6978 0.1611 2.1052 0.2463 1.9156 5.4910 1.1454 1.4671 1.4943 0.6855 2.6409 2.8130 0.3781 0.2861 0.7542 0.4500 0.1147 2.1011 1.3265 4.0606 1.0464 0.6786 1.1682 0.3854 0.1513 0.0401 0.1693 0.7875 4.9373 0.4158 0.5691 0.7633 1.4535 1.0000 1.0916 0.2970 3.5110 1.1665 1.4054 0.6088 0.3994 3.4646 0.1645 0.2155 2.3477 0.1526 3.1721 0.3173 0.0969 2.3579 1.1186 0.5393 0.1584 1.3871 0.5952 0.8264 3.1267 0.2237 pregabalin 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 1.0000 0.2715 0.2715 0.2715 0.2715 1.1312 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 0.2715 pregnanediol-3-glucuronide 1.1237 3.0219 1.7058 0.3252 0.9606 0.3252 0.8754 1.3643 0.5292 1.3148 2.3905 0.9463 0.3252 0.6029 2.6717 4.2783 0.3252 0.6016 1.2064 0.8889 1.1071 1.6643 1.2610 0.9696 1.5242 2.2589 1.4890 0.8210 1.0512 1.0000 1.3838 0.3252 1.1277 1.4773 1.0592 0.5080 0.6434 1.5394 2.2038 0.4501 0.3252 0.8000 1.2305 0.8975 1.0598 1.0628 0.3252 0.3252 0.9523 1.8522 0.8643 0.7317 0.6188 0.9940 1.1170 0.8341 0.3979 5.2339 0.8839 0.5925 1.5994 1.7439 1.6021 1.6065 0.3252 0.5154 0.3756 0.3252 1.5955 1.7284 0.4967 0.6500 1.6804 0.3252 0.4887 0.7975 0.3252 0.7144 0.5573 0.8657 0.8210 1.1038 0.9262 2.7957 0.6698 0.7065 2.2996 0.3252 0.3252 0.3252 1.0228 0.6489 0.3252 0.3252 0.3252 0.8757 0.6312 0.8850 1.4494 0.4387 2.2256 2.3572 0.8263 0.8258 2.1808 2.1064 pregnenediol disulfate (C21H34O8S2)* 0.9648 1.4301 1.3090 0.2150 3.2973 0.6992 0.6560 0.8814 1.4539 1.7731 1.0394 1.9489 0.8198 0.9734 0.4735 3.9679 1.0586 0.2801 1.2851 1.1792 2.3109 5.0278 2.1400 0.4926 2.5790 0.8248 5.3124 1.1910 0.3077 0.4212 0.3188 0.9993 2.2181 0.5051 0.6913 2.6007 0.3716 1.5048 1.4252 1.3580 0.3057 0.6317 1.0379 1.9970 1.6027 1.0007 2.4396 0.6577 5.6060 0.7391 1.6122 1.6184 0.1064 0.2692 0.6904 1.3999 0.3102 5.6887 0.4588 0.3530 1.5254 0.9944 2.6688 0.8697 0.1815 0.3212 0.1883 0.0617 0.9635 3.3870 1.5335 0.1582 4.1740 0.1731 0.4146 0.4227 1.0661 0.5297 0.5846 0.4153 0.9974 2.6898 0.3745 1.9130 2.1801 0.3057 3.0343 2.6949 0.3510 0.0561 1.2568 0.7433 1.6738 0.4697 1.2485 0.5439 1.2136 1.2572 1.8693 0.8207 1.7508 2.1706 1.8042 0.4721 1.4401 0.8891 pregnenediol sulfate (C21H34O5S)* 1.1147 1.3327 1.0017 0.0772 2.1762 0.7777 0.7110 0.7355 1.3134 0.9741 0.9078 1.7361 0.6696 0.6041 0.9752 2.6815 0.8564 0.3022 1.0007 1.0878 1.3623 3.1187 2.4441 0.6540 1.8967 1.1838 2.7872 0.9868 0.6893 1.5410 0.8349 0.5550 1.4980 0.4530 1.2953 1.1156 1.0796 1.6513 1.3394 0.5886 0.4078 0.4835 0.9993 0.8541 1.5328 0.7548 2.4383 0.2389 2.2633 0.9255 1.0573 1.2775 0.1609 0.4075 0.7554 1.2144 0.3018 1.8552 1.0515 0.5401 1.6326 2.6422 1.3475 1.5118 0.1806 0.9038 0.4043 0.1809 1.2468 2.5059 0.9437 0.6764 1.6594 0.1002 0.5424 0.6555 0.5210 0.4561 0.7851 0.6759 1.0800 1.5406 0.5606 1.6584 1.9777 0.4621 1.2648 0.7931 0.5582 0.0807 1.0691 0.7526 1.1166 0.7857 0.7929 0.7333 1.2284 1.2096 2.0350 1.2313 1.4573 1.8032 1.2686 0.8967 1.1299 1.9754 pregnenetriol disulfate* 1.0310 1.3156 1.5546 0.2061 3.6030 0.7568 0.7728 0.5558 1.4129 1.4012 0.7127 2.4796 1.0961 1.2491 0.4597 2.9984 1.0095 0.2289 1.3159 0.7449 2.3909 3.4119 1.9760 0.5725 2.2772 0.6995 2.9434 1.3963 0.2312 0.4253 0.2251 0.9000 2.5549 0.7930 0.8518 2.6721 0.4836 1.2540 1.5894 1.3729 0.3343 0.6920 1.2424 2.1568 1.8765 0.9905 2.1738 0.5825 4.6652 0.6573 1.3309 1.4066 0.1621 0.3386 1.1172 1.2677 0.5845 3.0640 0.5264 0.5085 1.4708 0.9423 2.7227 0.8647 0.4932 0.1941 0.3170 0.0900 1.3071 2.5133 1.6146 0.1787 4.8494 0.1745 0.5010 0.4120 0.7860 0.6454 0.6563 0.5194 0.8747 1.8882 0.4678 1.6467 1.4051 0.4990 2.9897 2.5892 0.4090 0.0373 1.8720 0.9466 1.5801 0.5449 1.2778 0.3638 0.7933 1.4405 1.7647 0.4713 1.2653 2.2970 1.5185 0.4415 1.3845 0.7327 pregnenetriol sulfate* 1.0923 1.1762 1.0351 0.1031 2.7490 0.8792 0.6991 0.4930 1.2647 0.7888 0.7136 1.8365 1.0238 0.8336 0.6239 1.9636 0.8130 0.2270 1.2921 0.5932 1.3011 2.2849 1.9773 0.6311 1.5135 0.9753 1.7262 0.9789 0.3650 1.2848 0.4790 0.4973 1.7284 0.5351 1.3413 1.2431 1.1484 1.2085 1.4170 0.6918 0.4438 0.5007 1.1296 1.1607 1.6152 0.6596 2.2106 0.2308 2.1895 0.6958 0.8940 0.8613 0.1890 0.3932 1.0249 1.1397 0.4221 1.3350 0.9319 0.7815 1.4075 2.0566 1.1900 1.3498 0.3328 0.5298 0.4584 0.1416 1.0353 1.7266 1.0772 0.4618 1.8060 0.1604 0.6316 0.5514 0.4245 0.4663 0.7880 0.6534 1.1001 1.1425 0.5439 1.3484 1.4195 0.6053 1.4928 0.9930 0.4645 0.0327 1.3246 1.0070 1.0408 0.9267 1.0431 0.5225 0.8031 1.5871 1.7998 0.7081 1.1186 1.6296 1.2493 0.5763 1.0175 1.5736 pregnenolone sulfate 1.2402 1.1883 1.2669 0.1619 2.7570 0.5861 0.5720 0.7064 0.7529 1.2733 0.8904 1.3198 0.5179 0.9229 0.9015 2.1843 0.5263 0.1619 0.9006 1.2347 1.2636 3.7291 2.1676 0.5331 1.5940 1.3471 3.8353 1.1238 0.3258 0.9934 0.6664 0.3625 1.3252 0.2301 1.0118 1.3118 0.6390 1.9885 1.2381 0.4014 0.2149 0.3038 1.0720 0.6331 0.7852 0.8576 2.5598 0.1619 2.0991 1.3696 0.9050 1.7679 0.1619 0.7588 0.7498 1.5333 0.1619 2.0347 1.1175 0.4297 1.5170 1.7494 1.2194 1.2431 0.1619 0.5011 0.5230 0.1619 1.2388 1.2187 0.3693 0.5270 1.2072 0.1619 0.1619 0.5811 0.8980 0.3233 0.4868 0.5154 1.2219 1.5649 0.5989 1.7919 1.7378 0.4104 1.0000 0.9288 1.0924 0.1619 0.8822 0.5959 1.0121 1.0802 0.6401 0.6803 1.0435 0.6849 1.6038 0.8096 1.7302 1.5091 1.1103 0.9566 0.9435 1.6474 pro-hydroxy-pro 0.7816 1.9424 1.0786 0.9072 0.3041 0.7405 0.8544 0.6987 0.5244 1.8946 1.1365 1.7865 0.7181 0.3595 0.5462 1.0828 0.7477 1.3062 1.0017 1.1131 0.8854 1.0491 1.1149 0.9130 0.9540 0.0255 0.7236 0.6805 2.5978 0.8094 1.0505 0.7723 0.6358 2.5926 0.4448 0.7604 0.5891 1.1087 1.0210 0.5257 0.7369 0.7121 0.7839 0.6349 0.9702 0.5671 0.6161 2.3307 0.9983 1.3671 0.8637 1.1192 1.0944 1.2673 0.7584 0.9637 1.1811 1.3163 1.1809 0.9448 3.9846 1.3271 0.6261 0.6548 0.8398 1.1807 1.0983 1.0682 1.9796 1.4967 1.0813 2.0082 1.9641 0.6279 0.7910 1.4193 0.5492 1.6478 0.7902 1.2365 1.1492 1.5720 0.9572 1.1077 0.8970 1.3655 1.1263 0.4172 0.6791 2.3639 1.1363 0.7199 0.8235 8.0110 1.2743 1.8533 1.5025 0.7004 0.8539 1.3574 2.1091 0.8429 1.2372 0.9048 1.8338 1.2403 proline 1.0817 1.1119 1.1351 0.9425 0.7088 0.8524 0.8975 0.9987 1.1453 1.6202 1.1613 0.6549 1.2233 1.0229 1.0034 0.9796 0.4886 0.8540 1.1984 0.6989 1.0188 1.1068 1.0179 1.4367 1.5555 1.1344 0.9700 0.9329 0.8936 1.2511 1.4457 0.8603 1.0210 1.4159 1.2496 1.6864 1.0207 0.8427 1.0154 0.7432 0.4526 1.1568 1.3036 0.8234 1.1737 1.5862 1.1456 0.9004 0.7575 0.8301 0.9216 1.5089 1.0392 1.0645 1.3267 1.0995 0.9084 1.3688 1.2866 1.6317 0.9647 0.7095 0.7624 1.0769 1.2223 1.0389 1.4008 1.0897 0.7375 0.9470 1.0553 0.8088 1.2490 0.7544 0.9397 0.9139 0.9641 1.1760 1.0013 0.7204 1.3702 0.8552 0.9430 1.0165 0.7915 0.4535 0.8378 0.9253 1.2515 1.1619 0.9636 1.2332 0.7383 1.3312 1.3905 0.7931 0.8635 0.6832 0.9793 0.9748 0.8893 0.7740 0.8380 0.6245 0.7711 0.9648 prolylglycine 1.1909 1.0704 0.5685 1.6370 0.6734 0.8336 0.6056 1.1557 1.5325 1.6473 1.4372 0.7151 1.2400 1.7452 0.5928 1.6111 0.8820 1.0837 1.1489 0.6815 0.9301 1.1325 1.3753 0.4254 0.6979 1.7537 1.7655 0.6912 1.1655 1.2184 0.8521 0.7323 1.1094 1.9016 2.4534 1.6927 0.3782 1.4689 1.2135 0.4788 0.4936 0.9571 1.5009 0.4924 0.8410 1.7500 1.1889 0.7763 0.4235 1.5999 0.9290 1.4554 1.0237 0.6246 1.1314 1.0822 0.6136 1.7693 0.8219 1.5457 2.0786 1.3935 0.4718 1.4441 1.9804 0.7148 0.3139 1.7301 1.1007 2.3225 2.1738 0.8707 1.0000 2.8406 0.6956 0.5658 0.5907 1.2182 2.0176 0.3139 0.6193 0.8447 0.7850 0.7867 0.7217 0.3980 0.7498 0.6384 1.0117 1.2924 0.7503 2.5753 1.2194 0.4940 0.8212 0.9533 0.9457 0.9156 0.8067 0.8730 0.5788 0.9993 1.4078 0.8562 1.9213 1.0643 propionylcarnitine (C3) 0.5700 0.4511 0.3573 0.3472 0.2889 1.1095 0.6868 0.4428 1.2147 0.1354 0.3081 0.5223 1.7006 0.6026 0.5830 0.4407 0.7180 0.4029 1.6410 1.0650 0.4515 0.6644 0.7641 0.9794 0.7006 0.5064 0.8156 0.3453 0.7039 1.6951 0.5829 0.7173 0.9285 1.4152 2.8132 0.3921 1.4516 1.3119 0.5917 0.3762 1.0141 0.7298 0.9021 1.2580 1.8773 1.0672 0.2554 0.5614 0.9950 1.5354 1.5882 1.5161 1.4506 1.2905 0.8424 1.2411 1.7720 2.5157 1.2760 1.5869 1.4745 1.1617 1.3236 1.0725 0.6124 0.9236 1.9907 1.3212 1.6611 1.0289 2.1726 1.0498 1.1932 0.3309 1.0826 0.8278 0.6192 0.9042 0.8909 0.6223 1.1418 2.1482 0.9937 2.1688 0.6395 0.7769 1.0050 0.9153 1.6233 0.7559 1.8130 1.9639 1.4743 1.8566 1.8297 1.3211 2.1901 1.1067 1.0169 0.4690 1.3189 0.4951 0.9076 0.8193 1.1100 1.6249 propionylglycine 0.2921 1.5022 0.6761 1.3654 0.2921 0.9537 1.1263 2.6070 1.8834 0.8320 0.7224 0.2921 0.2921 0.2921 1.4025 1.2749 1.0000 0.9917 0.9223 1.3750 0.3159 0.6837 2.3330 0.4572 0.4803 1.3546 0.9601 1.1718 1.6142 1.5099 1.6833 1.1088 1.0898 1.8869 0.6595 0.2921 1.4367 0.7153 0.6112 1.1535 2.8243 0.9578 0.5818 0.7591 0.5212 0.5403 0.6236 1.4934 0.2921 1.0066 0.5538 0.5895 1.4920 0.9383 0.6127 1.1682 2.4668 1.0068 0.6512 1.3991 1.1378 0.8366 0.6249 1.2867 2.1349 2.4783 1.9374 0.4487 1.1778 2.2417 0.9387 0.6596 0.5445 1.0842 0.7339 1.3943 0.3809 2.0557 1.1589 0.9204 1.3199 1.2459 1.1653 1.8576 0.7763 1.6200 0.7608 0.6178 0.4492 1.8400 0.9838 0.6566 0.6621 3.1579 0.8756 0.9433 0.9584 1.2914 1.2710 1.0393 0.3428 0.2921 0.7883 1.8154 0.4383 0.7463 propyl 4-hydroxybenzoate sulfate 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 1.0816 0.2037 0.2037 0.2037 0.2037 1.6712 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.4961 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.3907 0.2037 0.2037 0.2037 0.2037 0.2037 3.7758 0.2037 1.2290 0.2037 0.2037 1.0000 0.2037 0.2037 0.2037 0.2037 0.3460 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 16.7059 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.4675 0.2037 0.2037 0.2037 0.2037 0.2037 3.6483 0.2037 0.2037 0.2037 0.2037 0.2037 0.2037 0.6500 0.2037 0.2037 0.2037 pseudouridine 1.0607 2.1901 1.0162 0.8530 0.7793 0.8790 1.2036 1.1109 1.0970 1.4717 1.0718 1.1728 0.8303 0.9530 1.1865 1.4062 1.5071 1.1838 1.1418 0.8862 0.8891 0.9597 1.0179 1.0022 0.7753 1.1212 1.0713 0.8281 1.5814 1.2217 0.9561 1.1654 0.9951 2.1429 1.0162 0.7206 0.8932 1.1343 1.2296 0.8816 0.8163 1.0723 0.8467 0.8861 1.4616 0.9889 0.7218 1.5917 0.9761 1.6422 0.8261 0.9005 1.0531 0.7843 0.9895 0.9978 0.8529 1.1110 1.0098 1.0620 0.9351 0.8636 0.9285 0.8469 1.3579 1.0629 0.9637 1.2400 1.8783 1.3061 1.1367 1.3815 1.5529 0.7597 0.7499 1.1392 0.8765 1.3664 1.0603 0.9863 0.9394 0.9479 1.0386 1.3553 0.6468 0.8579 0.8644 0.8167 0.8501 1.9450 1.5808 1.1848 0.9175 0.9584 0.7946 0.9518 0.9095 1.2508 0.9028 0.9248 1.0701 0.8272 0.9177 0.7853 1.5110 1.2335 pyridoxate 1.0062 3.1154 0.7155 1.3268 1.3615 0.4714 1.8315 0.6695 0.9726 2.4181 1.2475 2.3737 1.4798 1.2505 1.8148 3.9980 2.8600 0.7298 0.9393 1.1965 0.6433 0.6531 1.2519 0.7091 0.5819 0.9918 10.8570 0.5973 24.1458 0.3909 0.9998 2.6525 0.7090 1.8264 0.6974 0.2841 0.8307 1.3296 2.5062 0.8005 2.2255 0.8633 1.4801 0.7922 1.2867 1.1626 0.8269 2.5557 0.4017 1.2596 1.2097 0.6267 1.5966 1.0002 0.8788 0.9244 0.6451 1.3752 1.3010 1.1525 0.9224 1.4566 0.7891 0.7237 1.2236 0.9290 0.9172 1.1532 1.8074 1.5049 0.7908 2.9892 3.1122 0.5547 1.0163 4.7449 0.5534 2.6385 0.6232 0.6556 0.6126 1.5522 3.0355 1.5098 0.9266 0.8249 1.1055 0.2193 0.8584 1.1704 0.7903 2.5556 1.1258 0.4395 0.6685 0.7563 1.6068 0.8189 0.7007 0.7220 2.5194 0.5743 0.9661 0.8545 2.3513 0.6988 pyroglutamine* 1.1304 4.7363 1.1987 0.3410 0.7380 1.1316 0.4316 1.3677 1.6557 1.8656 1.2721 1.6800 0.5096 1.2710 1.1179 2.4655 2.8596 2.0791 0.5890 0.9423 2.1636 0.8179 0.5655 1.1322 0.3852 0.4399 0.6266 1.8146 2.9142 1.4566 0.4035 0.8753 0.4036 1.8625 1.4434 0.6089 1.2236 1.2627 1.2652 0.3168 0.3007 0.7697 0.7962 1.4991 3.0020 1.5225 0.2911 1.4279 1.5325 1.0415 1.2771 3.0273 0.7830 0.3538 0.9995 1.5586 0.4059 0.4942 0.6943 2.6540 1.3390 0.7159 0.8819 0.6032 0.5636 1.4190 0.3755 0.8252 0.6734 1.1825 0.8327 1.1586 1.5170 0.1783 0.5301 1.0005 0.7675 2.9627 1.7683 1.3571 1.3488 0.5427 0.4412 0.5066 0.2166 0.3768 0.9096 0.6859 0.3825 0.5277 2.8369 2.1572 0.3852 0.6877 0.5587 2.0110 0.8009 1.5563 0.8630 1.5216 1.6787 0.8549 1.0173 0.4021 2.1111 1.7593 pyrraline 2.6082 0.8018 0.8561 1.1259 0.2519 1.3467 0.2519 0.3891 1.6982 2.1804 0.6594 3.1187 0.3874 0.5574 1.6971 0.5123 1.8541 0.3253 0.8425 0.7173 0.8718 1.4976 2.5745 2.0643 0.4951 0.6793 1.5137 0.2891 2.6869 1.5541 0.5024 0.8096 1.3587 3.8030 1.1434 1.8253 1.0685 3.2852 1.4679 1.1264 0.2519 0.2953 0.6252 0.2519 0.2762 1.6336 1.7206 2.0190 1.1856 1.1818 0.8798 0.2519 2.6470 1.0023 1.4178 1.0499 0.3845 1.3383 0.5415 0.7356 1.4708 0.2519 0.2519 0.6099 1.1531 1.0922 0.4715 2.8746 1.1726 0.7032 1.1420 1.1796 1.0980 0.4357 0.2738 1.0000 0.5560 0.6643 0.2519 0.6803 1.2770 0.7115 0.5029 0.5027 0.9748 0.6235 0.2519 0.2519 0.2519 4.3500 0.4838 1.2876 0.2519 0.2519 0.6268 0.3501 2.8727 0.8409 1.5776 1.3727 0.9125 0.3709 0.5937 0.2519 0.8307 0.7444 pyruvate 0.9837 1.8094 1.1720 0.9329 0.7994 1.0736 0.5559 0.9005 0.8820 0.9001 1.2618 0.9421 1.6274 2.1866 1.4381 0.6873 1.0564 0.8207 0.9096 0.8239 0.7764 0.8794 1.1553 1.7507 1.2142 0.9201 0.9331 0.7091 0.8993 0.8696 0.8225 1.2544 1.1710 0.7968 1.2170 1.8563 1.1960 0.8992 1.1543 0.7463 0.4909 1.1612 1.1206 0.8863 0.9765 1.7753 1.4061 0.5052 0.9153 1.1193 0.8214 1.3195 0.5615 0.7407 1.7852 1.1356 0.7266 1.3457 1.5606 1.2641 0.8145 1.2737 1.1103 0.7960 1.1653 0.8368 1.6534 1.5893 1.0246 0.9581 1.2346 1.0644 1.2919 1.0163 1.1841 1.3163 0.9392 0.9130 0.8123 1.1959 0.9205 1.0911 1.3689 1.5729 1.1377 0.8213 0.9585 1.0731 0.9145 1.9025 1.5114 1.4535 1.0581 1.4931 0.9599 1.1163 1.0454 0.8106 0.8531 0.8432 0.7403 0.9006 0.6594 0.7224 0.8651 0.7602 quinate 1.2613 1.4046 3.8602 0.1695 0.2228 0.0577 0.9062 0.1937 0.8056 1.1963 3.0052 1.9561 1.2507 2.7756 3.7558 1.5217 2.0647 1.5898 2.5093 1.0836 0.4903 0.6000 3.3909 1.4036 1.1371 1.3372 1.3463 2.6664 1.2366 1.0478 1.8744 1.0219 2.8788 1.8876 1.7565 2.3141 0.6510 4.1243 1.4966 1.2217 0.4789 0.5981 1.4522 0.9098 0.9518 3.2383 0.8898 0.6493 0.9798 1.3618 1.6193 0.0889 2.1687 0.6640 1.2336 0.8025 0.6058 0.9075 2.6850 0.0661 1.8840 1.9323 0.1213 0.2952 0.5282 1.6207 1.9392 0.4300 1.8100 0.0505 0.4182 0.5092 2.1481 1.6286 1.0408 0.4613 0.2345 2.2468 0.7400 0.4146 0.8534 0.4699 1.5217 1.1550 0.8341 1.7175 0.0612 0.2750 0.2316 0.8276 0.8706 0.8656 0.8577 0.6057 0.0142 0.8615 0.9730 0.5264 0.9571 0.4094 1.0202 0.4869 0.9764 0.0656 1.6643 3.8697 quinine 0.1247 0.1247 0.1247 0.1247 0.1247 0.2272 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 78.1875 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 1.0000 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 1.8120 0.1247 0.1247 0.1247 0.1247 11.5337 0.4183 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 5.6497 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.2386 0.1997 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 0.1247 1.4655 0.1247 0.1247 0.1247 quinolinate 1.3907 1.6267 1.0006 1.2747 0.9129 1.0403 0.8743 1.5492 0.9634 1.7139 1.3164 0.8390 0.8029 0.6006 1.0312 0.6698 1.2351 1.3907 1.5607 0.8208 0.7634 0.9262 1.3237 1.1953 1.5925 1.0968 0.8390 0.7121 1.1722 1.2632 0.7566 1.3716 1.5807 2.7204 0.9472 0.5262 0.5216 0.9652 1.4637 0.6376 0.6342 0.9470 1.2735 0.6855 2.1330 0.9994 0.8106 3.0122 0.6951 2.1903 0.7741 1.5694 0.8762 0.9649 0.8963 1.0100 0.6176 1.3648 0.7273 1.0852 0.7777 0.6644 1.7770 0.7466 1.2079 1.3914 1.0618 1.9753 1.7401 1.6929 0.9887 1.4250 1.8846 0.2743 0.6595 0.7572 0.8443 1.0720 1.2315 0.7963 1.1266 0.8000 0.7678 1.4263 0.9083 0.5989 1.3688 0.5082 0.5683 3.9900 1.4668 1.9740 1.3404 0.9453 1.3214 0.7026 0.7075 0.6081 1.1907 0.5858 2.2176 0.6765 0.7293 0.8690 3.4753 1.1181 retinal 0.5047 3.2774 2.0344 5.1986 2.7213 0.5808 0.6660 1.4304 0.9024 0.5047 1.3332 1.0985 1.4723 0.5047 1.9734 0.5047 0.5047 0.5047 0.5047 0.5047 0.5047 0.8150 0.8261 0.7076 1.2840 2.9340 0.5047 2.2657 1.1604 0.5047 2.6257 1.5019 0.5047 0.5047 0.5931 0.5047 0.6048 1.5353 0.5047 0.5047 0.7798 0.5047 1.0000 0.9811 0.5047 0.7241 0.5047 0.8785 0.6040 0.5047 1.0757 1.4867 0.5412 0.5047 0.8991 0.5047 0.5047 0.8250 0.5047 1.0898 0.5047 0.8389 0.5047 0.7845 1.1479 0.5047 0.5047 1.4248 0.5047 0.6836 0.5047 1.2891 1.1164 0.5047 0.8498 0.9846 0.7540 0.5047 1.4622 0.5047 0.5047 0.5047 0.5047 0.8495 0.5047 0.5047 0.7719 0.7089 1.1919 0.5047 1.0466 0.5047 0.5047 0.5047 0.5047 0.9167 0.9238 1.3801 1.1629 0.5047 0.9097 1.0553 0.6541 0.5047 0.5047 1.7876 retinol (Vitamin A) 0.7430 2.3569 0.9613 1.0511 0.8026 0.7644 1.0448 0.7656 1.3955 0.8138 1.0650 0.9300 1.4415 0.7943 1.2023 0.8185 1.1814 1.1336 0.9805 0.8737 0.6359 0.8584 0.7745 1.0609 0.8005 0.8730 1.0067 0.8268 1.1667 0.8260 1.0316 1.1581 1.2658 1.0358 0.7325 0.5447 0.9106 1.2556 1.1001 0.5800 0.5894 1.1700 0.9045 0.8300 0.9976 1.2864 0.9642 0.7429 0.6947 1.0834 1.0024 1.4014 1.1971 0.9905 1.2430 0.7564 0.7194 1.0365 0.7311 1.3686 0.7550 1.1946 0.5091 1.0446 1.0874 1.0791 0.9515 1.7194 1.3491 1.0648 1.4277 1.6298 1.3596 0.9005 0.9594 1.4104 1.0746 1.0366 1.0486 0.6261 0.8899 1.0103 1.3135 1.2686 0.6482 0.5555 1.4133 0.7641 1.0456 1.9495 1.0151 0.8008 0.8554 0.7469 0.9175 0.8786 1.1156 1.1530 1.0581 0.8290 0.9324 0.8293 0.8373 1.0852 0.8317 1.4716 ribitol 1.2339 1.0726 1.0565 1.0751 1.7830 1.1384 0.8115 1.0441 0.9598 0.8876 0.9294 1.6902 1.2370 1.2374 0.8968 0.8896 0.8882 1.1174 0.9161 1.1880 0.6924 1.0204 1.0655 1.0500 1.2635 1.1897 0.9549 0.7222 1.1655 1.2957 1.3525 1.1247 1.1470 0.8981 0.8184 1.3724 1.3182 0.7487 0.7556 0.7325 0.7612 1.1731 1.0555 0.8673 1.9251 1.1767 0.9382 0.8802 0.8694 0.8009 0.9286 3.0479 0.6541 0.9129 0.9944 0.7500 0.8432 1.1367 1.3009 1.0425 0.9113 1.0056 1.1025 0.6403 1.1835 0.9198 1.4298 1.0603 0.9035 0.8419 1.0830 1.3669 1.3764 0.7514 1.2401 1.1473 2.1362 0.9585 0.8907 0.9941 0.8830 0.8726 1.0966 1.0427 0.7873 0.7467 0.8054 1.0917 0.9538 0.9579 1.1219 1.2024 0.8586 1.0941 1.1490 0.9253 1.2531 0.7289 0.9575 1.0166 0.8426 0.8052 0.7791 0.7005 1.2067 0.6443 ribonate 0.8902 1.6128 0.9119 0.9631 1.0554 0.9289 0.9016 1.0647 0.8742 1.1153 1.3796 1.0228 2.1616 0.8467 1.1591 0.9927 1.0445 0.9613 0.9188 1.0194 0.7503 0.8512 1.0828 1.1694 1.0079 1.0070 0.9387 0.8037 1.4169 0.9378 1.0197 0.9285 0.9500 1.4028 1.0053 1.0424 1.2701 1.1474 0.9682 0.6737 0.5907 1.3629 1.3889 0.8494 1.0930 0.9770 1.3661 0.8635 0.9581 1.0659 0.8505 0.8663 0.7557 0.8513 1.1555 0.9590 0.8400 1.0224 0.8129 1.0253 0.7992 1.1330 1.4464 0.7727 1.1726 0.9552 1.3653 1.3704 1.3649 1.0258 1.3238 1.0337 1.4426 1.0266 0.9691 1.1411 0.6709 1.0041 1.1600 0.7984 1.0339 1.1171 1.0220 1.3477 1.2474 0.8474 0.9474 0.8249 1.0001 1.6851 0.9944 1.1923 0.8264 1.0746 0.9276 0.9999 1.4213 0.6791 0.8094 0.8103 0.9853 0.7125 0.7938 0.6715 0.9551 0.8412 ribulonate/xylulonate/lyxonate* 0.8634 1.8166 0.5316 1.1965 0.6877 1.1452 1.4117 0.8379 0.7537 1.5851 1.1507 1.1524 1.9335 0.8384 1.5860 1.0837 1.0003 1.2850 3.3763 0.9908 0.5556 0.7043 0.7038 1.2174 0.6815 0.8985 2.6558 0.7052 1.0617 0.5391 1.9640 0.9126 1.8389 2.7227 0.5238 1.4345 0.9807 0.9667 2.2836 0.4599 0.9811 0.9058 0.8980 1.0581 0.6556 3.2002 0.6851 1.1452 0.7007 1.5132 0.6605 0.5147 0.9039 1.8846 1.3244 1.0234 0.3231 2.4210 0.9096 1.6599 0.7952 0.7501 1.3112 0.9948 0.9997 1.6425 1.4744 2.2661 1.4213 1.2241 1.0748 1.4864 2.3485 0.9878 0.9307 1.1123 2.2215 1.3196 0.5939 0.7660 0.9463 0.6578 1.6427 1.6778 0.7619 0.9244 1.4493 0.7823 0.9130 3.4335 2.6185 0.9530 0.9987 0.8770 0.9775 1.0648 0.8986 1.3376 0.9503 1.8568 1.0055 0.5647 1.2951 0.9539 1.8507 0.6841 S-1-pyrroline-5-carboxylate 1.0615 1.3326 0.7534 0.6848 0.9974 0.5886 1.4040 1.3750 2.4450 1.2181 1.2148 0.5829 0.7327 0.6262 0.8166 1.9698 0.7654 1.1673 0.9520 0.9847 1.2436 0.9186 2.2384 0.8384 1.3381 0.9270 0.7694 0.8529 1.4146 1.5667 1.3318 1.4525 1.0244 1.1726 0.7198 0.7336 0.9248 0.8377 0.9906 0.7632 1.1162 1.6707 1.1247 0.9304 0.7032 1.1303 1.2201 1.3225 0.8161 1.0758 0.8074 1.8714 2.1343 1.1187 1.3765 1.8019 1.1999 1.3485 1.1849 1.4374 1.5353 0.6032 0.6750 0.5146 0.9873 1.3155 1.5374 0.7852 0.7901 0.7835 0.5905 0.7995 0.7080 0.3153 0.6813 1.3575 0.6791 1.0070 2.2104 1.5824 0.8533 1.0026 1.6299 1.4564 0.8530 0.7384 0.7888 0.7303 0.8750 0.8968 0.5550 1.1300 0.5131 1.1066 1.1684 1.0432 0.9593 0.6402 0.7675 1.2362 0.9586 2.1356 1.1784 0.4736 1.7810 2.3443 S-adenosylhomocysteine (SAH) 0.8729 2.1183 0.4407 0.8779 0.6685 0.9759 0.4407 0.8688 0.7860 1.6003 0.9381 1.3310 1.4141 1.3885 0.8164 1.4332 2.1278 0.4407 1.3375 1.0118 1.2618 0.9785 1.1384 0.9768 0.5406 0.9259 0.9669 0.4407 1.2358 0.7649 0.4407 0.8618 1.0588 2.3115 1.1987 1.0268 0.4407 0.8223 1.1391 1.0470 0.4407 0.5192 0.9904 0.5610 1.6435 0.8549 0.4407 0.6021 0.8451 1.3141 0.7788 1.5274 0.8514 0.8044 0.7777 0.6880 0.6364 1.1976 0.8113 1.0836 0.6840 1.0000 0.9425 0.7364 1.4687 1.0476 0.7847 1.6861 2.3984 1.2497 1.2500 1.4403 1.9514 0.9403 0.9319 1.1770 0.6202 1.1587 1.3449 0.8583 0.9064 0.8934 0.5935 1.2916 0.8180 0.6415 1.3634 1.2800 1.0552 1.3423 1.6024 1.0128 1.1325 0.6586 1.0555 0.7561 1.1924 0.9611 0.9196 0.8655 1.5881 1.2004 1.0564 0.8565 1.5965 1.0769 S-methylcysteine 1.6521 0.6500 0.9948 0.8834 1.2201 0.7428 0.6766 1.2384 1.0818 1.6274 1.3499 0.7279 0.4737 0.6092 0.7323 0.9865 0.8594 1.0707 1.6967 0.9176 1.1049 1.1716 0.7437 0.5882 1.1189 0.7875 1.0206 1.4333 0.8853 1.3241 0.8725 0.8016 0.5555 0.9607 1.2869 0.8357 1.2658 0.8044 2.2311 2.1500 2.0207 0.8340 0.4822 0.8642 1.0923 2.8485 0.6693 0.9768 1.1546 0.8039 0.7120 0.9970 1.4761 2.3229 0.9118 0.8527 1.4741 1.6888 0.8980 1.1409 0.9695 0.5513 0.7363 0.6581 1.2949 1.1909 0.7209 1.7091 1.3741 0.7290 1.2670 1.1422 2.2101 1.7304 1.0255 1.2926 1.0054 1.4995 0.7071 1.0094 0.8661 1.2382 0.9486 1.8854 0.6506 1.0184 0.8094 1.1807 1.6665 1.0935 1.3664 0.7450 1.0030 0.7303 0.8642 0.5466 1.0895 0.8190 0.6310 0.8237 1.3052 0.9685 1.3088 0.9339 1.3310 1.1193 S-methylcysteine sulfoxide 1.4920 1.0620 0.7775 1.0127 0.8486 0.4692 0.7938 1.1567 1.3101 1.5491 1.9625 0.5121 0.3727 0.4821 0.6961 0.7658 1.0765 0.5853 3.0424 1.3426 0.7287 1.2570 0.6606 0.7089 1.2125 0.7555 0.8168 2.8168 1.4522 1.3424 0.7436 0.5119 0.5618 1.0033 1.3639 0.6007 1.1484 0.9414 2.8905 3.3404 1.9548 0.6382 0.4905 0.7689 1.0971 4.3519 0.3742 1.4377 0.8025 0.7352 0.4777 0.8635 1.7534 3.9124 1.0751 0.5386 1.7499 2.7098 0.9112 1.4240 0.9178 0.8006 1.0012 0.6403 0.7950 1.0427 0.6268 1.8582 1.4305 0.5177 1.5773 0.6550 2.9890 2.5246 0.6775 1.4571 0.7225 1.7821 1.0238 1.1941 0.8834 0.6475 1.3288 2.4275 0.5475 1.1648 0.5101 1.0926 1.5428 1.3869 1.4054 0.8114 0.9819 0.5400 0.7467 0.4026 1.0545 0.5978 0.5236 0.5792 1.2099 0.6713 0.9988 1.2806 1.4939 1.1091 saccharin 0.1323 8.1981 0.1323 0.1323 0.1323 0.1323 2.4786 11.4061 0.1323 0.1323 5.3058 0.1323 7.2666 0.1323 50.8638 0.1323 0.2544 0.1323 0.2703 0.1323 1.0587 25.2334 0.1323 0.1323 0.1323 0.1323 0.1323 0.1323 0.1323 5.0741 0.1323 0.1323 9.7605 0.1323 0.1323 0.1323 0.1323 0.1323 0.1323 0.2589 0.2420 0.1323 0.1323 0.1323 0.1323 0.1323 3.4941 0.1323 4.2080 6.4446 0.8280 0.1323 0.1323 0.2620 0.1323 0.1323 0.1323 22.1802 0.1323 13.4663 0.8093 4.2555 0.1323 0.1323 0.2552 0.1781 0.8538 0.4404 0.1323 0.3461 0.1323 0.5306 2.1644 18.2915 0.1323 0.5843 1.0236 0.1323 0.1323 0.1323 0.3554 0.1323 0.1323 0.1323 0.6649 0.1323 0.1323 0.1323 0.1323 1.2046 0.1323 0.1323 0.9764 9.8412 0.1323 4.8134 0.5792 0.3435 0.1323 0.1323 0.1323 0.6067 0.1323 0.1323 0.1323 0.1547 salicylate 1.9533 79.9586 162.6801 136.5014 0.7394 0.8260 62.2789 87.4072 0.2032 216.2265 0.6435 45.0723 219.2634 111.3298 69.2755 269.9913 146.7808 0.7679 177.8393 0.8093 107.3220 1.3791 54.7404 0.4356 0.9030 0.7644 1.3699 0.5754 159.7530 0.5694 252.5063 109.3525 0.4586 128.3238 72.2166 165.4694 108.0649 55.3325 0.5999 0.9776 0.3207 78.4035 1.3446 0.3348 46.7531 58.6236 111.8481 0.2804 85.0092 51.8376 1.0524 0.4978 0.6495 136.9730 180.5226 104.6162 98.9426 0.7248 0.9323 214.0650 0.9784 0.9849 1.1815 0.6430 1.0122 0.5369 0.9240 166.9326 4.6728 1.9274 0.5303 0.4402 1.4274 0.9611 0.6617 2.0434 0.3312 2.1859 0.6288 0.3949 0.2200 0.5635 0.9878 2.2829 0.6963 0.7016 0.4320 2.9131 0.4493 1.8109 0.2511 0.8627 0.5778 0.4250 0.7545 0.7252 0.3161 1.7181 0.5352 1.1348 1.5087 0.6561 0.6298 0.7506 0.7177 0.4171 salicyluric glucuronide* 0.0077 2.9546 1.1769 1.6970 0.0077 0.0077 0.7559 1.4907 0.0077 0.5265 0.0077 1.0557 0.9257 1.4922 1.2766 1.0281 1.0641 0.0077 2.1643 0.0077 1.2493 0.0077 0.7750 0.0077 0.0638 0.0077 0.0077 0.0077 2.5173 0.0077 0.7987 1.7205 0.0077 1.5666 1.5039 0.5484 1.3418 1.4621 0.0077 0.0077 0.0077 1.6285 0.0753 0.0077 1.0000 1.3170 0.6297 0.0077 1.0891 1.2464 0.0164 0.0077 0.0077 1.0853 1.7102 1.1364 1.1078 0.0077 0.0077 1.0445 0.0077 0.0077 0.0541 0.0077 0.0077 0.0077 0.0277 2.9188 0.5459 0.1873 0.0077 0.0077 0.0077 0.0077 0.0077 0.0181 0.0077 0.2978 0.0077 0.0077 0.0077 0.0077 0.0369 0.0812 0.0077 0.0077 0.0356 0.2055 0.0599 0.6679 0.0077 0.0344 0.0077 0.0077 0.0077 0.0156 0.0077 0.0077 0.0077 0.0077 0.0581 0.0173 0.0077 0.0077 0.0077 0.0077 sarcosine 1.3485 1.3996 0.9524 1.4479 1.4585 1.5349 1.3954 1.1490 0.8669 1.0930 1.0780 0.9439 0.9767 0.9205 0.8150 0.8005 1.4119 0.8979 1.0520 1.0919 0.9518 1.0292 1.1462 0.7174 1.1022 0.7378 1.0864 1.0841 1.2539 0.8158 0.9383 1.2286 0.8285 0.9858 0.9248 0.7907 0.7111 1.0495 0.9514 0.9111 0.7939 1.1472 1.0467 1.0256 1.0044 1.0075 1.1001 0.8311 0.8478 0.7983 1.2303 2.3079 0.9295 1.3938 0.9956 0.9895 0.8792 1.0307 1.0811 1.2006 1.0660 0.8235 0.6251 0.8976 0.7362 1.0167 1.0229 0.9711 0.8763 0.6378 1.3881 1.0693 0.7054 1.1961 0.9723 1.0719 0.6626 0.9859 0.7372 0.9538 0.9622 1.0998 1.0354 0.9641 0.6790 0.6566 0.8968 0.6720 1.0938 0.7687 1.0059 1.0716 1.0756 0.7878 1.1095 0.7094 1.0116 0.9745 0.7042 2.3782 1.0443 1.0340 1.0104 0.7300 1.0347 1.0306 sebacate (C10-DC) 1.8017 0.4744 2.2052 0.7893 2.3456 2.0447 0.8894 0.4466 0.8568 1.7889 1.0458 0.9672 1.6329 1.0433 2.1230 3.7263 0.7005 1.4705 0.5685 0.5947 1.2892 0.6094 1.4929 1.3841 0.3397 0.4824 1.1474 0.7667 1.5745 1.6741 2.4648 0.6351 1.4175 3.1602 1.2230 1.3055 0.7513 1.4793 3.6765 0.8793 0.9983 0.9100 0.8611 1.8308 2.1686 1.3349 2.6598 0.8330 0.7939 0.3397 0.5740 2.6431 0.6506 1.0000 0.5405 1.5833 0.8192 2.0844 0.5700 1.0754 3.4590 0.6002 3.8156 0.7801 1.2001 1.1626 0.4268 0.6876 1.1622 0.8528 1.1687 0.5099 2.5825 2.0657 0.7818 0.9930 1.6574 5.6080 0.9453 0.7244 1.5421 4.4926 0.6805 0.6611 0.5010 1.1406 0.9712 1.6317 0.6649 0.7384 2.1208 0.7991 0.8714 0.6651 0.9798 0.9403 1.1112 1.4103 0.5741 0.4446 2.1176 1.2572 0.6957 0.8741 1.8110 0.8270 sedoheptulose 2.0332 0.8827 0.4876 2.7165 0.6841 0.4612 0.7734 0.8440 0.5420 1.3561 1.7597 1.7710 1.0776 0.4612 0.5138 0.7307 2.5731 1.2627 1.5628 0.9703 0.8155 1.1651 0.4612 0.7129 0.5588 2.1695 1.1142 1.1668 0.4968 0.4612 1.2010 0.7779 1.2464 2.0551 0.4612 1.6201 1.1856 0.4612 4.2053 0.7464 0.5010 1.3766 0.8598 1.3766 0.9978 5.2440 0.8150 1.1345 0.8991 1.3416 0.4612 2.1403 0.6376 1.1719 1.6647 0.6303 0.4612 3.0004 1.2059 1.3332 0.9059 0.6623 0.6796 1.1276 1.0282 0.9096 1.1193 0.8422 0.8054 1.3741 0.7606 0.8948 1.2316 0.7688 0.9180 0.6379 2.0694 1.7143 0.9120 0.4612 0.6165 0.8578 1.4918 0.8973 0.4767 0.4612 1.0022 1.2869 1.2754 1.4579 4.6941 0.6268 2.0109 0.6137 0.9476 0.8511 0.4612 0.7756 0.9092 1.8457 0.4612 0.7321 0.5782 1.0785 2.7510 0.4612 serine 1.2172 1.2706 0.9986 0.8471 0.8444 0.8768 0.7295 1.1300 0.9342 1.0371 1.0987 0.8123 0.7833 0.8926 0.9895 0.7837 0.7966 0.9722 1.1798 1.3192 1.3144 1.0156 1.2199 0.8919 1.2006 0.7637 0.6593 0.9038 1.2237 1.0539 1.2837 0.9912 0.8372 0.7747 0.9680 1.1861 0.8101 0.7215 0.8452 1.3092 1.0066 1.0182 0.8474 1.1640 0.6553 1.0679 0.9482 0.8829 1.1011 0.5622 0.9185 0.7535 0.8042 0.8667 0.8573 1.0492 1.2505 0.8462 1.2652 1.0860 1.2460 0.8705 0.9683 1.1655 0.9941 1.4513 1.1602 1.1481 1.2278 0.8467 1.3508 0.9311 1.2264 0.7849 1.2177 1.0054 0.5199 1.5514 0.8734 0.9188 0.8371 1.3502 0.9430 0.9735 1.0064 1.1404 0.8941 0.8041 1.7347 0.8610 1.0173 0.9724 1.0148 1.0522 1.5503 1.0402 1.1028 0.9259 0.8098 1.2583 1.1838 1.2501 1.2270 1.0014 1.1119 1.2826 serotonin 0.8011 0.7814 0.2151 0.8332 1.3483 0.8949 1.5351 0.9911 1.0051 0.1237 0.1227 0.6665 1.9080 2.4013 0.8910 1.8661 0.4262 0.6966 0.9815 0.1475 2.3347 1.4866 0.0535 0.9445 0.7813 1.2702 0.9488 0.5985 0.7850 1.0559 0.6600 1.1693 1.0320 1.6412 0.8623 1.1049 0.0271 2.6369 0.6112 0.8777 1.0850 0.9350 1.2107 0.0814 1.1562 0.3906 0.0336 0.3626 1.4619 0.9267 0.9949 1.2317 1.8534 2.3937 1.1785 0.6132 1.3960 0.3936 0.8521 0.7901 0.8554 0.0271 0.7220 1.1989 1.2395 1.2013 0.0271 2.5060 1.1737 0.6656 1.0208 0.7375 1.8099 1.0367 0.9100 1.6357 0.7415 0.6804 0.6898 1.8910 1.0199 1.9981 0.7200 1.3706 1.1510 0.8932 1.9065 1.7770 2.0760 1.4986 0.8819 1.1916 0.8066 1.1122 1.5082 0.7494 0.6488 1.2866 1.1248 0.6194 0.6518 1.0181 1.1802 1.1107 1.3403 1.7295 sitagliptin 0.0254 0.0254 0.0254 0.0254 0.6810 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 2.2397 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 2.7039 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.9053 0.0254 0.0254 0.0254 6.5408 0.0254 0.0254 0.6637 0.0254 0.0254 0.4310 0.0254 0.0254 0.0254 0.0254 1.0947 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 1.3497 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 0.0254 spermidine 1.4365 0.7642 0.5183 1.0885 1.0213 0.7176 1.1588 0.8955 0.9314 0.8290 0.3933 1.3790 1.0618 1.4829 0.4337 1.3810 1.0054 0.8241 0.9023 0.6242 1.4528 1.1899 0.5351 0.6544 0.9434 0.6805 1.3550 0.7447 1.6948 0.8735 0.5353 0.8682 0.7861 1.1851 0.8031 1.0687 0.7749 1.1903 0.5530 0.9994 0.8021 1.2057 1.3959 0.5601 1.2814 0.6364 0.5717 0.4800 1.4228 0.6317 0.8827 0.9552 0.7543 1.5282 0.8975 0.5371 1.6069 1.0404 1.1372 1.0436 1.0343 0.9367 0.8421 1.0006 1.3277 0.8775 1.0512 1.9418 1.8194 0.3722 1.2907 0.6608 0.9343 0.8355 1.0987 1.1335 0.3646 1.1004 0.7556 1.2979 0.7928 1.3624 1.1908 2.5028 0.8933 0.6515 1.4363 0.7989 1.6982 0.7964 1.5407 1.4713 1.1008 0.9001 2.0036 1.2623 1.1730 1.4221 0.9139 1.2512 1.0281 0.8597 1.3808 1.1324 0.7972 1.5000 sphingadienine 1.1474 0.9305 0.5095 0.8907 0.6906 0.9504 0.9485 1.0256 0.6899 0.7648 0.4044 0.8104 1.0706 2.2372 0.5059 1.3762 0.8344 0.9212 1.2279 0.9825 1.7124 2.0678 0.7371 1.4294 1.2970 0.8263 0.7349 0.7058 0.6536 0.7937 0.4503 1.4690 1.3999 0.8746 1.1567 1.4434 0.6850 1.1137 0.8392 0.9591 0.6391 0.9404 1.3839 0.5895 1.0336 0.7190 0.7889 0.4105 1.0212 0.7910 0.9423 0.5018 1.1283 1.9292 1.6355 0.9413 1.5657 0.8714 1.0089 0.6940 1.0579 0.6210 1.5527 1.0489 1.8035 0.8593 1.0474 2.7647 1.8155 0.6466 0.9693 1.4521 1.1058 0.8249 1.3646 1.4348 0.4792 0.6811 0.9666 1.8958 1.2972 1.2458 1.0297 1.3709 1.0259 0.9071 1.9819 1.1249 3.5047 0.9456 1.1555 0.8549 1.3520 1.1974 1.3664 1.0019 0.9939 1.1542 1.1603 0.9127 0.8061 0.8177 0.9981 3.7803 1.0070 2.0226 sphinganine 1.3212 1.3482 0.6495 0.7046 1.1288 0.8756 0.7707 1.0629 0.5033 0.8828 0.6194 0.7062 1.8231 2.4595 1.0882 1.6290 0.9741 0.6460 1.0524 0.9422 1.7137 1.4667 0.8463 1.5514 0.9466 0.9808 0.8186 0.4833 1.2648 0.6738 0.7638 0.8889 1.3312 0.8143 0.8849 1.4127 0.5519 1.1122 0.8025 0.8308 0.6558 0.7682 1.4839 0.6054 2.1698 0.8190 0.6993 0.5966 0.9597 0.6581 1.0045 0.8986 0.4923 1.2306 0.9730 0.8175 1.0960 0.8936 0.8102 0.7814 0.5699 0.8978 2.1458 1.1230 1.3111 1.2332 0.7143 3.0704 1.8030 0.8667 0.8388 1.6155 1.7848 1.1886 1.6638 1.6894 0.6863 0.9004 0.9585 1.3394 1.2335 1.5964 0.9955 1.4823 0.8498 1.1222 3.1102 1.7961 2.9986 1.3723 1.4684 0.8618 1.5950 1.5258 1.4570 0.9307 1.2138 1.8576 1.2687 0.8285 0.9841 1.2860 1.1720 2.1042 1.3849 1.4304 sphinganine-1-phosphate 1.0564 1.1750 0.7075 0.9045 1.2656 0.9813 1.0118 0.9281 0.8753 1.0088 0.7256 0.9007 1.2902 3.8288 1.1641 1.0011 0.9588 0.5332 1.1581 0.9989 1.5058 1.1446 0.9941 1.4112 1.1067 0.7475 1.0110 0.4995 1.1344 0.7839 0.8132 0.9312 1.0933 0.8184 0.7753 1.5740 0.6984 1.8893 0.7591 0.9550 0.7342 0.6835 1.3554 0.6490 2.4001 0.7647 0.9678 0.5628 1.2892 0.7041 0.9444 1.1279 0.7480 1.3119 0.7829 1.0031 1.1963 0.9358 1.1466 0.7749 0.9793 0.8858 1.5426 1.0267 1.2261 0.8165 0.7484 1.3980 1.5772 0.5263 1.2255 1.5805 1.5788 0.7122 1.2103 1.5519 0.6712 0.9652 0.7830 1.0312 0.9910 1.2759 0.8047 1.2698 1.0472 0.8722 1.9756 1.0428 1.6283 1.0925 1.3638 0.8614 1.2297 0.8084 1.2821 0.8507 1.0764 1.4357 1.2431 0.9830 0.6953 0.8962 0.7318 1.4128 0.8504 1.3523 sphingomyelin (d17:1/14:0, d16:1/15:0)* 1.0571 1.2081 0.6401 1.3716 0.9462 1.0671 1.0408 0.6915 1.3839 1.8735 1.4915 0.5670 0.8553 0.6814 1.0056 0.9944 1.6751 0.9925 0.4618 1.0277 0.7612 0.5256 1.0259 1.6720 0.5939 0.9682 1.1523 0.6898 1.8580 1.2998 1.0180 0.7758 1.6701 0.6363 0.4743 0.9170 0.8878 0.8920 0.8043 0.6006 1.1330 1.2432 1.8053 0.7142 0.3418 0.5237 1.6200 1.0521 1.1543 0.8297 0.7712 0.6988 1.9790 1.4287 1.1102 0.6355 0.9428 0.8746 1.2771 1.1031 1.1082 0.6767 0.7227 0.9705 0.9080 1.0502 1.2976 0.8414 1.6228 0.5135 0.5158 1.4174 1.6446 0.9081 0.4260 2.1455 0.6455 0.6505 0.8114 1.8812 1.3876 0.7686 1.9962 1.5487 0.7019 1.4277 0.7186 0.2077 0.9642 1.9997 0.8408 0.7734 0.5745 0.6750 1.1578 1.0575 1.1188 1.5110 1.3746 1.7554 1.0964 0.9176 1.6258 2.6762 1.1302 2.6734 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 1.1161 1.4022 0.9866 0.9022 1.0475 1.0177 1.1601 0.7442 1.0336 1.9304 1.3103 0.8309 1.0714 0.6980 1.0583 0.9533 1.6569 1.1837 0.5242 0.9350 0.9616 0.7093 0.8807 1.2210 0.7129 1.0015 0.9637 0.7441 1.4628 0.9838 1.2300 0.8986 1.4350 0.7318 0.6875 0.9210 0.9519 0.9671 1.0121 1.0337 1.0645 1.1422 1.3430 0.7986 0.5977 0.6666 1.3753 1.1647 1.0289 0.9222 0.9822 0.7880 1.4383 1.1250 0.9167 0.8091 0.8847 0.9164 1.0634 1.1374 0.9706 0.7577 0.6633 0.9234 1.0341 1.0385 1.0940 0.8817 1.4182 0.5803 0.6420 0.9929 1.7474 1.4321 0.7471 1.8321 0.7484 0.8791 1.1990 1.4578 1.1765 1.0048 1.3266 1.3408 0.8201 1.4275 0.9388 0.4413 0.7200 1.3126 1.1181 0.7689 0.6020 0.8222 0.9985 0.7416 0.9491 1.6265 1.0573 1.4379 1.0618 0.7651 1.4949 2.0033 1.2308 2.0922 sphingomyelin (d17:2/16:0, d18:2/15:0)* 1.0241 1.4089 0.8838 0.7759 0.9302 1.4110 1.0455 0.4906 1.0704 1.3331 1.2845 0.7986 0.9654 0.7092 0.9488 0.8642 1.9516 1.0289 0.4759 0.9762 0.8573 0.7964 0.8463 1.2973 0.6858 0.9043 1.0884 0.7640 1.0690 1.3432 1.3286 0.7843 2.0852 0.6926 0.4426 0.5420 1.1823 0.7062 1.1033 0.8486 1.3124 1.0364 1.0794 0.3953 0.3662 0.5860 1.3152 1.0705 1.1067 1.0842 0.8783 0.5303 1.9815 1.5471 1.2660 0.8426 1.1487 0.8722 1.2575 0.6584 0.9854 0.3642 0.5215 0.6769 1.2166 1.0289 1.4426 1.0465 2.5125 0.4222 0.4942 1.4780 1.9225 1.0708 0.5695 2.1936 0.3884 0.7598 1.2861 1.8607 1.2298 0.8538 1.4354 1.8313 0.6859 1.5146 0.7604 0.3642 0.9207 1.9283 0.9437 0.6508 0.6073 0.6037 0.7293 0.6323 1.0797 1.4160 0.9671 1.2490 1.0000 0.5696 1.5696 2.5819 1.1989 2.8725 sphingomyelin (d18:0/18:0, d19:0/17:0)* 0.5940 1.1939 1.3282 0.6965 1.1758 0.8682 1.0299 0.5001 0.5481 0.7105 0.8308 1.1394 1.7306 1.5343 0.9503 1.0639 0.8258 0.5450 0.9982 0.4789 0.5327 1.2852 0.6251 0.6621 1.0847 0.4660 0.6906 0.5107 0.9127 0.4991 1.6675 1.6445 2.1119 0.8840 0.6613 1.8000 0.5999 1.1146 1.4958 1.0769 0.5526 1.5728 1.1524 1.2800 1.6377 1.4832 1.5246 1.3799 0.7234 0.5779 1.3853 1.1709 1.0299 1.2011 1.0381 0.7967 1.1592 1.1174 0.6453 1.6768 1.1578 1.7360 1.0890 1.0933 1.8042 0.5237 0.6336 1.1491 1.2921 0.5497 1.0018 2.0525 1.5369 0.9120 1.1717 1.2125 0.6231 0.4697 0.8918 0.8291 0.7449 1.3070 1.7397 1.7485 0.9599 0.9244 2.1945 1.3074 0.4911 0.9944 1.2470 0.9555 0.8396 0.8446 1.7158 0.7620 0.8087 1.2595 0.7600 0.6133 0.5195 0.8564 0.8217 1.1345 0.5074 0.6988 sphingomyelin (d18:0/20:0, d16:0/22:0)* 0.7587 0.9459 0.8640 1.0570 1.2490 0.7368 1.1065 0.6518 0.6838 0.6596 0.8208 0.8286 1.5372 1.4090 1.0561 1.4935 0.8192 0.4863 1.0138 0.5025 0.6288 1.2605 0.5745 0.9009 0.8629 0.6326 0.6631 0.3975 1.1254 0.5323 1.2850 1.8528 1.7363 0.9152 0.4847 1.4982 0.8212 1.2173 1.2501 0.7981 0.5363 1.4924 1.3730 0.9862 2.1677 1.2813 1.6058 1.2124 0.8237 0.4810 1.4616 0.7822 0.7431 1.4878 0.7575 0.7879 1.1430 1.1683 0.8619 1.6719 1.2309 1.6575 1.2713 1.1622 1.6350 0.7043 0.6254 1.2799 1.4262 0.5417 0.8092 1.7807 1.1386 1.0942 1.4129 1.6042 0.6498 0.5053 0.7191 0.8809 0.7471 1.1573 2.1624 1.5820 1.1449 0.8294 2.1053 1.2494 0.6482 1.2706 1.1577 1.1644 1.1077 0.6126 2.1403 0.8541 0.8075 1.5311 1.0450 0.8230 0.6566 0.9539 0.9117 1.1897 0.5544 0.8388 sphingomyelin (d18:1/14:0, d16:1/16:0)* 1.0738 1.2226 0.9539 1.0515 1.2527 0.8575 0.9640 0.8453 1.1030 1.3007 1.2305 0.6855 1.2773 0.7004 1.0682 1.0128 1.3055 1.2363 0.5332 0.9057 0.9101 0.8122 0.8147 1.3160 0.6399 0.8925 0.9781 0.7184 1.4513 1.0750 1.0170 0.9818 1.3030 0.8094 0.6914 0.9069 1.1510 0.9952 0.9178 0.9209 1.0019 1.0759 1.2274 0.8497 0.7847 0.9722 1.1887 1.1374 0.8906 0.8448 0.9737 1.0359 1.1885 1.0779 1.0451 0.6217 0.7869 1.1054 1.2236 1.2187 1.0005 0.7621 0.7959 0.9002 0.9972 0.9623 0.9404 0.9175 1.0745 0.6727 0.6907 1.0142 1.4121 1.3518 0.7517 1.5111 0.7846 0.7923 0.9476 1.1567 1.1668 0.8641 1.2349 1.2346 0.8274 1.0389 1.0423 0.5819 0.7531 1.4276 1.3090 0.8788 0.5899 0.6664 1.0409 0.8337 1.0669 1.4581 0.9995 1.4262 0.8300 1.0087 1.3485 1.5325 1.0134 1.5862 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 0.9557 1.4103 1.1813 0.8451 0.9039 1.2323 1.0512 0.6726 1.1941 1.4667 1.3371 0.8069 1.1160 0.8685 1.0833 0.8924 1.5927 1.0550 0.7640 0.9035 1.0014 0.7433 0.8971 1.0579 0.9050 0.6578 0.9618 0.8740 1.2197 1.0305 1.3709 1.0824 1.7702 0.7516 0.8047 1.0587 0.8099 0.9270 1.0873 0.8712 1.0684 1.2526 1.1644 0.9556 0.4014 0.7660 1.6115 0.9407 0.9982 1.2045 0.8083 0.7979 1.2757 1.1387 1.0231 0.9289 1.0328 1.0913 0.8979 1.1557 0.8881 1.1184 0.6298 0.9592 1.0890 1.0083 1.1651 0.9986 1.4937 0.5538 0.6990 1.2716 1.5470 1.0279 0.8811 1.9347 0.5624 0.9339 1.0565 1.3769 0.9497 0.9233 1.4772 1.5160 0.8930 1.4298 1.0270 0.5324 0.7490 1.3646 1.0045 0.8468 0.7558 0.8920 0.9199 0.7157 0.8982 1.5160 0.9202 1.1548 0.9403 0.7082 1.6560 1.9981 0.9430 1.9017 sphingomyelin (d18:1/18:1, d18:2/18:0) 0.9116 1.4930 1.4710 1.0097 0.9868 1.1225 1.1087 0.7159 0.8556 1.0597 1.1317 1.2464 0.9179 1.0162 0.9652 0.8619 1.3452 1.0306 0.8951 0.9553 1.0053 1.2457 1.0589 1.0036 1.2057 0.7475 0.9720 1.1789 0.7367 1.1042 1.6511 1.1336 1.5959 0.8209 0.9617 1.1630 0.8386 0.9722 1.3538 0.8158 1.1161 1.3133 0.9015 0.8961 0.6900 0.9736 0.9393 0.9468 0.9922 1.1912 0.9079 0.8581 1.3756 1.2164 1.4083 0.8551 1.2531 0.7480 1.0242 0.9964 0.9668 0.9576 0.6841 1.0467 1.6513 0.8682 1.2993 1.3555 1.5860 0.5795 0.9232 1.4932 1.2768 0.8145 0.7966 1.1814 0.6494 0.9337 1.2083 1.4180 0.9193 1.1816 1.1350 1.3302 0.7553 1.4631 1.2593 0.8285 0.7792 1.0321 1.1317 0.6461 0.8332 0.8173 0.7329 0.7802 0.9501 1.0917 0.8707 1.0622 0.9191 0.9597 1.2181 1.6674 0.8353 1.6028 sphingomyelin (d18:1/19:0, d19:1/18:0)* 1.0795 1.5124 0.9964 1.0205 0.8031 1.0785 1.0479 0.9762 1.0605 1.2049 1.2216 0.7057 0.8027 0.8451 1.0136 1.1020 1.7703 1.0096 0.9510 0.8328 0.9614 0.8871 1.0117 0.9094 1.0435 0.6563 0.7368 0.8424 1.7738 1.2760 1.3872 1.0990 2.0488 0.7088 0.7042 0.9915 0.9577 1.1840 1.0034 0.9966 0.7866 1.1155 1.4491 0.5768 0.4549 0.7059 1.6340 0.8087 1.2351 1.2217 0.7282 0.6934 1.4900 1.3180 1.1536 0.9567 0.8933 0.9847 0.9826 1.0375 0.9880 1.0479 0.6324 0.9493 1.1850 0.9634 1.5523 1.3864 1.8205 0.5206 0.7594 1.5234 1.3782 1.5216 0.8475 1.9301 0.4671 0.8621 1.2258 1.8737 0.9214 0.9699 1.3770 1.3815 0.9154 1.5654 0.9185 0.3982 1.2724 1.6335 0.8798 0.7657 1.0765 0.7760 1.0566 0.6673 0.7687 1.4003 0.7816 1.0674 0.9670 0.7221 1.5613 2.1904 0.7636 1.8307 sphingomyelin (d18:1/20:0, d16:1/22:0)* 0.9444 1.4392 1.1212 1.2118 1.0236 0.9276 1.0046 0.8393 0.9935 1.0864 1.1829 0.8015 0.9524 0.9954 0.9278 1.0333 1.2709 0.8576 0.8831 0.8899 0.9651 0.9700 0.9050 1.0160 0.8924 0.8128 0.7820 0.7096 1.3181 1.0409 1.2045 1.0967 1.2592 0.7821 0.7958 1.1589 1.1148 1.1055 1.0099 0.8469 0.7824 1.2185 1.2114 0.7988 0.7674 0.9904 1.4265 0.8945 1.0082 0.9360 0.9035 0.9523 1.0241 1.2267 1.0119 0.8356 0.9513 0.8414 1.1692 1.0627 1.0338 1.2194 0.7316 0.9355 1.0809 1.0364 1.0428 1.2051 1.2221 0.6415 0.8771 1.3811 0.9446 1.4034 0.9698 1.7116 0.5730 0.9442 0.9023 1.1715 0.8931 0.9494 1.0785 1.1704 0.9159 1.1454 1.1906 0.7588 0.9303 1.2552 1.2086 0.8103 1.1471 0.8023 1.0273 0.7909 0.9530 1.2380 0.8719 1.3626 1.0293 0.9545 1.3365 1.6131 0.8259 1.4431 sphingomyelin (d18:1/20:1, d18:2/20:0)* 0.9848 1.5527 1.4047 1.4353 0.9896 1.0381 0.9961 0.8901 0.7333 1.3391 1.3997 1.1726 0.6807 0.8683 0.8880 0.9005 1.3278 1.0758 0.9099 1.0663 1.0787 1.2405 1.0422 1.0931 1.1637 0.8817 0.7685 1.2762 0.8226 1.1809 1.7797 1.0587 1.4077 0.8307 0.8371 1.1196 0.7148 1.1456 1.5143 0.7710 1.1043 1.2425 1.0312 0.6457 0.4753 0.9197 1.0232 0.8361 1.0586 1.2686 0.8384 0.6961 1.2938 1.1161 1.2317 0.9971 1.1911 0.5394 1.2880 0.8726 0.9330 0.9584 0.5855 0.8625 1.2923 1.0029 1.2568 1.2352 1.6062 0.6071 0.8741 1.2656 0.9656 1.0389 0.6419 1.3120 0.4500 0.9378 1.2142 1.6401 0.9157 0.8485 0.9839 1.0363 0.7447 1.3601 1.0651 0.5261 0.9608 0.8510 1.0772 0.6331 1.0430 0.7401 0.7720 0.7047 0.8254 0.9965 0.9466 1.1799 0.9809 0.9783 1.2051 1.6653 0.8455 1.5823 sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* 1.0660 1.4380 1.1531 1.0723 0.8912 1.0005 1.1517 1.1602 0.9115 1.7432 1.6890 0.9995 0.7035 0.8794 0.7915 1.1873 1.9581 1.1266 1.5107 0.9690 0.9571 1.1459 1.1343 1.0384 1.1055 0.6373 0.7699 0.9084 1.3198 1.5062 1.5693 0.9277 1.7381 0.6389 0.6523 1.0437 1.1841 1.0823 1.3224 0.8547 1.2406 1.4043 1.0456 0.8149 0.3624 0.9271 1.3368 0.8623 0.9775 0.9085 0.8107 0.5619 1.4144 0.9634 0.9692 0.8022 1.3103 0.5424 1.0185 1.1294 1.1839 0.7584 0.6471 0.8322 1.1880 0.9095 0.9049 0.7711 2.0034 0.5717 0.7723 1.0882 1.4331 0.9900 0.8137 1.4504 0.2476 0.9966 1.4300 2.3169 1.1880 1.2273 0.9651 1.4103 0.7861 1.3222 1.4259 0.4630 1.4157 1.0991 0.9237 0.5050 0.9693 0.6508 0.8876 0.7532 0.6668 0.8026 0.7083 1.0921 0.7099 1.0592 1.0398 1.7575 0.8997 1.9174 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 1.1578 1.3917 0.9580 1.1593 0.8415 0.8150 1.0973 0.9211 1.1582 0.9898 1.2153 0.7301 0.9917 0.7954 1.1133 1.0492 1.7353 0.8983 0.7499 0.8314 0.9167 0.6937 0.9108 1.0938 0.7190 0.9511 0.9220 0.7814 1.6094 1.0947 1.1186 0.9952 1.5974 0.5417 0.6605 0.8037 1.3704 0.9899 0.9771 1.0237 0.9996 1.2089 1.4410 0.5990 0.3287 0.6969 1.3854 1.1403 0.9068 1.0166 0.8139 0.7069 1.0544 1.2262 0.8958 0.7916 0.8061 1.0711 1.0735 1.2216 1.0783 0.9654 0.5830 0.9670 1.0898 1.1952 1.0451 1.0977 1.5988 0.6004 0.6277 1.3883 1.0840 1.4153 0.9377 1.9162 0.5212 0.9094 1.0785 1.2086 0.9975 0.8819 1.5588 1.6858 1.0011 1.3793 1.0004 0.4355 1.0613 1.8433 1.0719 1.0046 0.8288 0.7390 1.2205 0.8133 0.7585 1.5513 0.8437 1.3727 0.8621 0.8343 1.6861 1.8946 0.9016 2.1339 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 1.0116 1.3779 1.0445 1.2067 1.0289 0.7729 1.0691 0.7626 0.9835 1.1444 1.2926 0.9698 0.9149 0.8447 0.9115 0.9184 1.2834 0.9125 0.7764 1.0592 1.0248 0.9856 0.8899 1.1061 0.8624 0.9270 0.8141 0.9884 1.0134 1.0470 1.2270 0.9934 1.3857 0.8015 0.7502 0.9085 0.9634 1.0586 1.0330 0.9356 1.1613 1.0843 1.1229 0.7287 0.5417 0.8995 1.1815 1.1130 0.9540 0.8972 0.9829 0.9849 1.1539 1.2105 0.9388 0.8670 1.0221 0.7254 1.1855 0.9085 0.9978 0.9551 0.6494 0.9382 1.1274 1.0516 0.9993 1.0962 1.4000 0.6505 0.8324 1.1777 1.1513 1.0741 0.7686 1.6914 0.5807 0.9359 1.0077 1.2874 1.0007 1.0311 1.1919 1.2905 0.8327 1.1651 1.0240 0.6410 0.8654 1.0619 1.3032 0.7292 0.8025 0.6386 0.9232 0.8325 0.7689 1.3174 0.9840 1.5181 1.0106 1.0046 1.3960 1.7459 1.0383 1.8153 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 1.2352 1.6074 1.1308 1.3124 1.1684 0.7441 1.1552 0.8544 0.8328 1.5188 1.5440 1.1526 0.8130 0.6645 1.0491 0.8990 1.3142 1.2065 0.9031 1.1825 1.0171 0.9577 1.0741 1.1466 0.7868 1.0058 0.8406 1.1496 1.0871 1.0849 1.4920 0.9899 1.5082 0.7530 0.7936 0.8446 0.8845 1.0794 1.1434 0.9639 1.3943 1.1318 0.9969 0.7615 0.4319 0.8477 1.0028 1.2731 0.9094 0.9784 1.0354 0.8949 1.3389 1.1141 0.7394 0.9288 1.1366 0.6101 0.9693 1.0253 1.0010 0.7273 0.6539 0.7903 1.0504 0.9672 1.1012 0.7449 1.7169 0.6518 0.6984 0.8956 1.2678 0.7541 0.5849 1.5601 0.4376 0.8536 1.3011 1.6029 1.0112 0.9512 1.0909 1.4251 0.7704 1.1224 1.0967 0.4574 0.7978 0.9670 1.2048 0.6361 0.6821 0.6491 0.9319 0.7813 0.8018 1.2480 0.9157 1.1784 0.7542 0.9990 1.2732 1.2652 1.0776 1.6265 sphingomyelin (d18:1/24:1, d18:2/24:0)* 0.9202 1.3427 1.0578 1.2745 1.2138 0.7513 1.0464 0.7003 0.9303 1.3129 1.3561 1.0981 1.0940 0.7766 0.8754 0.7220 0.8942 0.8567 0.9363 1.1312 1.2074 1.0959 0.8161 1.0244 0.8779 0.9388 0.7377 1.0275 0.9781 0.9844 1.3868 0.9071 1.1856 0.9042 0.8764 1.0203 0.6922 1.0987 1.1598 0.8473 1.0793 1.0528 1.0500 0.9848 0.8994 1.1079 1.1802 1.1769 0.9315 0.7896 1.0949 1.4436 1.2657 1.1883 0.8918 0.7896 0.9469 0.7431 1.0307 0.9476 0.8650 1.1997 0.7701 1.0187 0.9802 1.0674 0.9041 0.9832 1.0998 0.7139 0.9970 1.2435 1.2771 1.2077 0.7559 1.6605 0.7351 0.9140 0.8491 1.2758 0.8768 1.1784 1.0289 1.0443 0.7884 0.9810 1.0030 0.8428 0.8671 1.0168 1.4894 0.6664 0.7131 0.7359 0.9772 0.7628 0.7632 1.3956 1.1014 1.3568 0.9100 1.0623 1.2642 1.5614 1.0883 1.6680 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* 1.2884 0.8843 1.0862 1.1346 0.7803 0.8201 1.0891 0.7642 1.1674 1.0615 1.5217 0.8480 1.0425 1.1481 0.7082 1.2935 1.2861 0.7577 0.8576 0.3684 0.8599 0.6339 0.7030 0.7390 0.4657 0.6920 1.2107 0.7892 2.0119 0.7932 1.2414 0.8875 1.1538 0.5980 0.6921 0.8566 0.8369 0.9981 1.1524 0.7654 0.5764 1.6594 1.2774 0.9359 0.3275 1.0172 1.2552 1.3457 0.7106 0.8006 0.8302 0.5044 1.0609 1.4436 0.6861 0.8201 0.9276 1.0019 0.6233 1.7423 1.6893 0.8802 0.5842 0.9681 1.0125 1.0023 0.7355 1.2521 1.3495 0.5712 0.4486 1.2401 0.7849 1.3934 0.8357 1.3106 0.3753 1.2436 0.8328 1.1988 1.0068 1.2495 1.5875 1.5681 0.8377 1.3308 1.0513 0.3397 0.7558 1.1236 1.0180 1.0766 0.5752 0.5804 1.3226 1.0315 0.9797 1.7498 1.2677 1.0479 1.1403 0.5965 1.2667 1.3032 0.9805 1.2888 sphingomyelin (d18:2/14:0, d18:1/14:1)* 1.0062 1.1481 0.7637 1.1897 1.1498 0.9267 1.0188 0.5406 1.0660 1.1286 0.9394 1.0156 0.7542 0.7607 0.8982 0.9842 1.5672 0.9898 0.5157 1.0905 0.7686 0.9598 1.0446 1.5185 0.6558 0.9025 1.1755 0.7646 0.9454 1.6356 1.1452 1.0755 1.5587 0.7281 0.5580 0.8651 1.1273 1.1553 1.0318 0.6071 1.1243 1.1129 1.0866 0.5498 0.5474 0.6030 1.1082 1.2007 0.9307 1.1133 0.9626 0.8629 1.8792 1.7384 1.2500 0.6855 1.0041 0.6861 1.3598 0.7392 1.0078 0.5478 0.7779 0.8791 1.3185 0.9562 1.4504 0.9301 2.4747 0.5462 0.5604 1.8447 1.5696 0.8285 0.4831 1.5854 0.5988 0.8458 0.9557 2.1393 1.1685 0.9959 1.9964 1.3760 0.6064 1.2080 0.8091 0.4387 0.8762 1.5680 1.0265 0.7067 0.4875 0.5095 0.8849 0.9762 0.9371 1.1247 1.1278 1.5262 0.8648 1.2523 1.3621 2.3570 1.0375 2.2737 sphingomyelin (d18:2/16:0, d18:1/16:1)* 0.9757 1.2687 1.0595 1.0128 1.2726 0.9002 1.0609 0.7361 0.8863 1.2316 1.1334 1.0485 1.0596 0.7223 1.0144 0.8514 1.1293 1.1166 0.6068 0.9246 1.0323 1.0306 0.8646 1.2263 0.7997 0.7600 0.9782 0.8752 0.7245 1.1776 1.2586 0.8669 1.3875 0.8875 0.6962 0.8166 1.0093 1.0866 1.1360 0.8967 1.1157 0.9993 0.7839 0.7539 0.7662 0.8732 0.8761 1.1029 0.8560 0.8654 0.9783 1.0047 1.2750 1.0039 1.2103 0.7023 0.9589 0.7824 1.2398 0.8332 0.8649 0.6842 0.7977 0.9131 1.1694 0.9720 0.9576 1.1250 1.4414 0.6996 0.9237 1.2169 1.5075 1.0489 0.7767 1.4037 0.7593 0.8926 1.0632 1.3252 1.0133 1.1735 1.1118 1.0682 0.7446 1.2080 0.9239 0.6993 0.8038 1.0532 1.2640 0.7497 0.6123 0.6717 0.7401 0.7533 1.0007 1.3673 1.0840 1.3695 0.9177 1.0226 1.0973 1.8316 1.1293 1.9313 sphingomyelin (d18:2/18:1)* 0.9833 1.4277 1.3603 1.5790 0.8336 1.0010 1.1720 0.7008 0.8809 1.7195 1.3824 1.1348 1.4023 0.9518 0.9534 0.9406 1.7103 0.8765 1.0540 0.9417 1.1500 0.9245 0.9990 1.1746 0.9032 0.7033 1.0495 0.9476 0.8633 1.1953 1.4500 0.6961 1.9055 0.6766 0.6662 0.8171 1.0049 1.2282 1.2928 0.9392 0.9296 1.0479 0.6574 0.7288 0.4339 0.7051 1.0861 0.8624 1.1336 0.9929 0.9025 0.5408 1.4032 1.0774 1.4187 0.7374 1.2506 0.6026 1.0488 1.0661 0.9882 0.6285 0.6759 0.8898 1.1710 0.9224 1.2793 1.2256 1.9001 0.4477 0.7266 1.0941 1.6173 1.6060 0.8366 1.3541 0.3482 0.8476 1.2069 1.7678 1.1017 1.2498 1.0190 1.2568 0.7754 1.6609 1.0061 0.5332 1.1102 1.1817 0.9140 0.5671 0.8867 0.6863 0.7353 0.7233 0.9797 1.4563 0.9158 1.3356 0.9879 0.7146 1.2623 2.0644 1.0887 2.4484 sphingomyelin (d18:2/21:0, d16:2/23:0)* 1.0032 1.3406 0.9430 1.0349 0.7854 1.0224 0.9586 0.8965 0.9260 1.3449 1.1249 0.8485 0.6970 0.7484 0.8468 0.8756 1.8301 0.9856 0.8076 1.1410 0.9890 1.0203 0.9924 0.9906 1.0387 0.8417 0.8010 1.0730 1.2438 1.3705 1.3582 0.9085 2.3451 0.6503 0.5659 0.8232 1.0247 1.1472 1.0403 1.0206 1.1770 1.1029 1.3437 0.4536 0.3466 0.5918 1.2410 1.0484 1.3251 1.1863 0.7948 0.6317 1.6217 1.2485 1.2190 1.0101 1.1735 0.8372 1.1046 0.8100 0.8024 0.6539 0.5194 0.8300 1.2361 1.0192 1.6490 1.2838 2.3839 0.5187 0.6713 1.4980 1.3686 1.3379 0.6261 2.0719 0.4017 0.8137 1.3323 2.2778 0.8965 0.9529 1.4355 1.5283 0.7456 1.5196 0.9020 0.2806 1.3668 1.5203 0.9758 0.6368 0.9273 0.5617 0.9812 0.7544 0.6029 1.1877 0.8250 1.1783 0.9968 0.7670 1.7896 2.6045 0.9658 2.4610 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 1.0854 1.4406 0.9818 1.1447 0.9454 0.7916 1.1376 0.7873 1.0739 1.2282 1.3564 0.9714 0.9473 0.6961 1.0014 0.8170 1.5570 0.8723 0.7420 1.0342 1.0440 0.8026 0.9007 1.0924 0.7814 1.0028 0.9321 1.1243 1.1355 1.2162 1.4276 0.8476 1.6218 0.6537 0.7037 0.6674 0.9299 1.0912 1.1417 0.9803 1.3725 1.0570 1.1666 0.6357 0.3790 0.6684 1.1655 1.2546 0.9986 0.9670 0.9222 0.9075 1.3655 1.2027 0.8694 0.8770 0.9572 0.8086 0.9944 0.9582 0.9361 0.8836 0.5762 1.0049 1.0968 1.2068 1.0974 1.0062 1.6583 0.6129 0.7131 1.3798 1.3678 1.0800 0.7137 1.9116 0.5447 0.9211 1.1069 1.5070 1.0108 1.1079 1.4818 1.4956 0.8456 1.3612 0.8906 0.4532 0.9765 1.4585 1.1550 0.7638 0.6264 0.6329 1.0137 0.7800 0.6802 1.5984 0.9953 1.3871 0.8901 0.8892 1.6799 2.1664 1.1526 2.7442 sphingomyelin (d18:2/23:1)* 1.2178 1.4385 0.9518 0.9446 1.1055 0.9899 1.0604 0.7392 0.9201 1.5711 1.4776 1.0265 0.8010 0.6327 1.0094 0.8124 1.6174 1.0404 0.7358 1.1288 0.9931 0.8387 1.0014 1.1510 0.8907 0.9528 0.8899 1.0244 1.0374 1.4012 1.5792 0.8797 2.0029 0.6554 0.7078 0.7994 0.8264 1.0167 1.0432 1.0429 1.3434 1.0571 0.9278 0.6410 0.4208 0.7060 1.2190 1.2939 1.1132 1.0193 0.9759 0.9667 1.6343 1.3108 0.8771 0.8777 1.2317 0.7046 0.8906 0.8949 0.8185 0.6382 0.5721 0.8689 1.0906 0.9986 1.3913 1.0090 2.1513 0.5914 0.6496 1.3452 1.7410 0.8885 0.6213 2.1054 0.4736 0.8301 1.1440 2.2044 1.1039 1.1243 1.5651 1.6721 0.7735 1.3215 0.9342 0.3751 0.9906 1.3595 1.0129 0.5873 0.6305 0.6075 0.9391 0.8243 0.7437 1.5890 1.0029 1.3615 0.9938 0.8321 1.6518 2.4455 1.1384 2.8546 sphingomyelin (d18:2/24:1, d18:1/24:2)* 1.0155 1.4190 1.0666 1.2907 1.1974 0.7437 1.1205 0.7065 0.9348 1.3055 1.3588 1.3011 0.8711 0.7252 0.9267 0.7710 1.1716 0.9724 0.8569 1.2471 1.1846 1.0777 0.9173 1.0690 0.8994 0.9710 0.8418 1.2699 0.7524 1.2704 1.6310 0.9368 1.2307 0.9528 0.8292 0.8659 0.7676 1.1863 1.2557 0.8994 1.4770 0.9986 0.8972 0.7802 0.6465 0.8723 1.0051 1.2751 0.9633 0.9689 1.0433 1.3046 1.3814 1.1640 0.8867 0.9304 1.0498 0.6331 1.1089 0.7472 0.8990 0.9031 0.6819 0.9883 1.1051 1.1125 1.0540 0.9392 1.5676 0.6789 0.9460 1.1532 1.3626 0.8393 0.6481 1.6708 0.6562 1.0345 1.0014 1.5700 0.9631 1.2667 1.1549 1.1946 0.7371 1.0891 0.9288 0.6936 0.9207 0.9318 1.2984 0.6320 0.6182 0.6001 0.7735 0.7909 0.6860 1.3969 1.0736 1.4998 1.0050 1.1078 1.3416 1.7752 1.2917 2.1379 sphingomyelin (d18:2/24:2)* 1.4293 1.7714 1.2738 1.4084 1.4478 0.9085 1.3344 0.8503 0.6591 1.6599 1.8986 1.6206 0.7317 0.4829 1.1964 0.9444 1.2426 1.2982 0.9394 1.2864 1.2564 0.9236 1.2576 1.2988 0.6053 1.0396 0.9473 0.9780 0.7874 1.5262 1.8238 0.8810 1.4775 0.8459 0.9244 0.5856 1.0537 1.3007 1.3147 0.9342 1.5195 1.1381 0.6779 0.5893 0.3530 0.7986 0.9277 1.5090 0.8691 1.1266 1.1032 0.9881 1.3766 0.9433 0.8074 0.8998 1.3455 0.5431 1.0315 0.8508 1.0395 0.5478 0.6194 0.9244 1.1157 1.2175 1.1348 0.8587 1.9313 0.6201 0.6784 0.8658 1.5128 0.4926 0.5639 1.7329 0.5300 1.2504 1.1619 2.0381 1.0119 0.9750 1.2102 1.3106 0.7617 1.2480 0.8476 0.4572 0.7235 0.9393 0.9437 0.6455 0.6113 0.6093 0.5837 0.8384 0.8642 1.3662 1.1719 1.5290 0.9132 1.2061 1.1967 1.8577 1.3508 2.2469 sphingosine 1.2721 1.0842 0.6373 0.8084 0.9109 1.0704 0.6779 1.2274 0.5785 0.8622 0.4680 0.7688 1.5539 2.6549 0.6629 1.7585 0.8548 0.6058 1.2181 0.9673 1.6212 1.3817 0.7711 1.4394 1.0118 1.0179 0.7774 0.4676 0.9590 0.7328 0.3923 1.0633 1.0795 0.9093 1.2959 1.9403 0.6140 0.8857 0.6399 0.9623 0.5561 0.7881 1.3991 0.5324 1.7672 0.6358 0.7996 0.4874 1.2293 0.7233 0.9747 0.6490 0.5472 1.4110 1.0238 0.8029 1.2031 0.8190 0.9399 0.6755 0.5485 0.7461 2.0482 1.1787 1.5001 1.1000 0.7889 2.7746 1.8505 0.9492 0.9390 1.3822 1.4767 0.9882 1.9495 1.7838 0.5206 0.8396 0.8520 1.8475 1.2660 1.5980 0.8033 1.3390 0.9600 1.1204 3.0006 1.8366 4.0732 1.2622 1.4714 0.8454 2.0175 1.8280 1.6877 1.0138 1.0550 1.6609 1.1433 0.6552 0.9597 0.9295 0.9678 2.1734 1.0680 1.3246 sphingosine 1-phosphate 0.9977 1.1627 0.8435 1.0843 1.0307 0.9383 1.0454 1.0677 0.8970 0.9600 1.0308 1.1252 1.1896 2.5689 0.8712 0.9787 0.9900 0.7911 0.9178 1.1098 1.3192 1.1615 0.8677 1.3751 0.8838 0.8024 0.9802 0.6972 0.9437 0.7679 0.8593 0.8691 1.0023 0.9164 1.1385 1.7394 0.7042 1.5966 0.8099 1.1606 0.6910 0.8510 1.1348 0.7005 1.5622 0.7365 1.0349 0.6881 1.1742 0.7609 1.0547 0.8314 0.9326 1.4111 0.8538 0.9166 1.1784 0.9511 1.1090 0.9131 0.9332 0.8355 1.2801 1.0267 1.1759 0.9540 0.7484 1.3077 1.4691 0.7071 1.2809 1.3333 1.1724 0.9270 1.2847 1.3206 0.7270 0.9286 0.8236 1.1091 1.0047 1.1933 0.8116 1.1493 1.0235 0.8963 1.6898 1.0939 1.4281 1.1389 1.2884 0.9098 1.2305 0.9469 1.2414 0.8014 1.0985 1.4391 1.1458 0.9717 0.7903 0.9750 0.9599 1.4385 0.9116 1.3154 stachydrine 0.4009 3.7900 0.1713 0.7080 0.0511 0.7248 0.1529 0.7272 1.5061 8.6325 2.3311 0.4360 1.7390 1.2674 0.2759 0.7408 1.8148 0.9124 0.1676 1.2676 2.0257 0.1003 0.7454 0.5659 1.6602 1.9414 6.3807 0.2337 1.1666 0.6516 3.3267 3.6418 0.2162 3.6149 1.4695 0.6710 7.4085 0.1216 2.0412 2.0675 2.4780 3.4151 0.7947 0.9182 0.6923 0.9275 0.3576 1.9120 0.2251 3.8926 1.7145 0.9155 0.2372 0.7720 2.1827 1.0938 0.2492 4.6137 0.3470 7.5025 0.6224 1.0604 2.0860 0.1728 0.2487 3.0688 1.4438 1.4325 0.2250 0.4213 2.4592 2.9143 5.3445 0.1796 1.4455 0.8367 0.4124 4.2262 2.9528 1.1496 1.8459 2.5891 1.8899 0.5891 0.3088 0.5934 3.1955 0.0816 7.5857 5.6516 0.2084 2.8534 0.2268 0.1609 0.1008 1.2753 0.1251 2.9980 0.9396 0.7188 0.0806 0.1447 2.0722 1.9644 1.5907 0.4105 stearate (18:0) 0.7210 0.7761 0.8819 0.4711 1.4508 1.0290 0.9349 0.4835 0.8655 0.5705 0.8202 1.1890 0.9825 0.8972 1.4182 0.9623 0.9714 0.6641 0.7573 0.6102 0.6291 0.5440 0.9967 1.0827 0.9553 0.7633 0.8354 0.8518 1.0139 1.1319 1.0604 0.7334 0.7441 0.7639 0.7231 1.0066 0.8508 0.7752 0.9957 1.0551 1.0033 0.6874 0.7249 1.0034 1.4857 1.1522 1.0689 0.6985 1.0575 0.7877 0.9718 1.4247 0.6657 1.2448 0.6182 0.9219 1.0140 0.9842 0.7953 1.1523 1.0207 1.1368 1.2816 1.2246 0.8279 1.1340 0.7921 1.0131 0.8156 1.1607 1.1486 2.3782 1.3205 0.9541 1.4556 1.0233 2.1185 1.6770 1.2121 0.9488 0.8583 1.6335 1.0181 1.1795 1.0148 0.8587 1.1940 1.5697 2.1706 1.7011 1.2593 1.0884 1.1181 1.1474 0.7490 1.1220 1.2649 0.7612 0.6907 1.0238 1.5513 1.0686 0.9247 1.3962 0.9116 0.6508 stearidonate (18:4n3) 0.6325 0.6618 0.4336 0.4010 2.6070 0.5744 1.8876 0.1751 1.3193 0.1729 0.8541 0.9223 0.5622 0.4145 2.0811 1.2556 1.0321 0.4533 0.4768 1.5103 0.5288 0.8034 1.0275 0.9007 1.1383 1.2868 0.5278 1.8049 1.1968 1.7052 3.3988 1.3134 0.6046 0.5094 0.4955 0.7796 0.7341 0.5162 1.1138 0.6102 1.4182 0.4751 1.2564 0.8651 1.0249 0.9987 0.9467 1.3574 1.0928 1.4587 1.1895 5.1695 0.7004 1.5164 0.4378 0.8207 0.9418 0.4676 0.4810 1.3489 1.1879 1.0037 1.2909 1.2023 0.4793 1.3765 1.0245 1.2759 0.9058 0.8934 0.8216 3.0465 1.1185 0.7201 1.2278 1.4456 1.8771 1.5762 1.3161 1.4215 0.3995 1.8849 1.8064 1.2067 0.7119 0.5225 1.0113 2.0926 1.6487 2.7257 1.1011 1.4075 0.9876 0.9036 0.8025 1.2842 0.9895 0.7896 0.3254 0.9106 0.8794 1.4032 0.7488 0.6047 1.0013 0.7247 stearoyl sphingomyelin (d18:1/18:0) 1.0077 1.7216 1.5751 1.2257 1.1129 0.9962 0.9735 0.9159 0.7562 1.4254 1.4593 1.1083 0.9472 1.0483 0.9639 0.8983 1.1268 1.0147 0.9082 0.7891 1.0338 1.1854 0.9222 0.9452 1.1352 0.8853 0.7942 1.1301 1.0476 0.9197 1.6306 1.1971 1.3813 0.8407 1.0252 1.5647 0.6721 0.9696 1.3887 0.8313 0.8269 1.3452 1.1555 0.8165 0.6191 1.2167 1.1494 0.8405 0.9192 1.1449 0.8761 0.9287 1.0287 1.0829 1.2449 0.8793 1.1160 0.6783 1.0385 1.3276 0.8674 1.3473 0.6418 0.8981 1.2289 0.8110 1.0990 1.1014 1.1076 0.6766 0.9024 1.0655 1.0727 1.0393 0.7817 1.2303 0.5362 0.8463 1.1027 1.2777 0.8513 0.7760 0.9621 1.1469 0.8169 1.1760 1.1840 0.7130 0.6701 0.8193 1.1958 0.7039 0.9480 1.0038 0.9341 0.6262 0.8324 1.0595 0.8209 0.9314 0.8855 0.8674 1.0686 1.2276 0.7435 1.0783 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 0.6361 0.7119 0.7183 0.5016 0.6032 0.8548 0.9240 0.7412 0.7588 0.4364 0.4022 0.4819 1.4045 0.8582 0.4787 0.7935 0.8590 0.8439 1.3271 0.9721 1.2776 1.1315 1.0928 1.5725 0.5832 0.5560 0.8082 0.3682 1.2633 2.0085 0.7075 0.9708 0.9275 0.8226 1.5537 1.3159 0.7528 1.5107 0.7112 0.3820 1.4076 1.2728 0.6070 1.3504 3.2098 2.9395 1.3714 0.6196 0.8747 0.9422 1.4833 1.2064 2.6093 1.4129 1.1201 1.0465 1.2631 1.6574 1.0619 1.1882 1.2892 0.9389 1.0273 0.9426 0.6912 0.5198 1.9971 2.2611 1.0888 1.5981 1.2049 2.3679 1.7353 1.3095 1.0180 1.0956 1.8135 0.9071 0.4574 0.8621 0.5206 1.9347 0.9773 1.1273 0.4067 0.8425 1.8300 1.6245 3.0633 2.4655 0.9831 1.0169 0.9545 1.0228 1.1553 0.6743 0.7790 0.9020 0.7494 0.5579 1.3492 1.3342 0.5255 1.0941 0.3950 1.2992 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 0.5649 1.0399 0.8058 0.5718 1.0981 1.4353 0.8860 0.7589 0.8914 0.7974 0.1956 0.3931 1.4802 1.2041 0.7954 0.9746 0.7198 0.5830 0.7796 0.7131 1.0931 1.5016 1.1015 1.4754 0.7047 0.7520 1.2527 0.2251 0.7352 1.2694 0.9580 1.0969 1.0203 1.0654 1.2055 1.1125 0.9022 1.5407 0.8168 0.5172 1.2873 1.2339 0.8125 1.1931 2.0705 1.0253 1.4363 0.3345 0.9718 1.0218 1.6219 0.8285 1.4553 1.8370 1.5173 0.9358 1.1161 1.5817 0.9080 1.3990 0.1956 0.3411 1.1091 0.7778 0.9207 0.3865 1.1505 1.5848 1.0000 0.8012 0.8103 2.2391 1.3632 1.2226 1.0950 0.1956 2.2213 0.4804 0.1956 0.6444 0.4954 1.1179 0.1956 1.1494 0.3892 0.7962 1.2604 1.1198 1.3566 2.2276 0.1956 0.9139 0.8109 0.8197 1.1564 0.7410 0.7788 1.3140 0.4357 0.6964 1.1060 0.6984 0.8354 1.6146 0.4923 1.7761 stearoylcarnitine (C18) 0.9116 0.6302 0.5876 0.2764 0.5442 1.4556 0.6524 0.3754 1.3117 0.4389 0.4839 1.0413 1.0718 0.8492 0.8710 0.8404 0.8609 0.6268 0.6282 1.0121 0.9707 0.6591 0.4367 1.0206 0.9817 0.3296 1.0956 0.4712 1.2476 0.9509 0.4372 0.6697 0.8802 1.3163 1.0009 0.7026 0.7219 1.3539 0.7640 0.7489 1.1113 0.5929 0.8250 1.2943 2.1828 0.9603 0.5604 0.7401 1.3020 0.7095 1.0749 0.8834 1.5203 1.0575 0.4260 0.7028 0.8719 1.5981 0.8679 0.8205 1.4428 1.4115 1.4470 1.0957 0.7251 1.3199 0.7949 1.4518 0.9830 1.1149 1.4022 1.7855 1.9698 1.3281 0.8199 1.4951 0.8420 1.6373 0.5820 1.2616 1.0988 2.1364 1.3497 0.9939 0.7773 1.4058 1.3223 1.3135 1.0027 1.9548 1.4926 1.0642 0.9054 0.9068 0.9991 0.8902 1.9609 1.9675 1.2662 1.0408 2.1473 1.1875 1.4511 2.0771 1.4636 1.9591 stearoylcholine* 0.9622 0.7622 3.2133 3.8152 2.1917 1.8356 2.1070 4.9202 1.5919 6.1507 1.5083 0.5938 0.3896 0.2023 1.2633 0.7347 1.3546 1.6632 0.8426 0.6632 1.3805 3.2280 0.6783 1.2452 0.5960 5.6083 3.6008 2.5452 0.2023 1.3715 3.6422 1.9181 0.7559 2.2316 0.5640 0.5409 1.1754 0.9400 1.7135 0.6126 3.2111 1.4190 0.4783 0.3975 1.1065 0.5668 0.9681 2.2387 1.5565 3.3569 2.4403 0.2730 7.6995 0.6187 2.6592 0.6245 1.4469 0.8538 1.1692 1.6547 0.7154 0.4542 0.2615 0.5681 1.1306 0.5664 0.4612 0.4552 3.4537 0.2023 0.2464 1.4177 0.2907 0.4126 0.2925 1.2495 0.3182 1.0427 1.0698 0.7687 1.2536 0.7113 0.4920 0.6094 0.2023 0.5176 0.3253 0.2958 0.2023 1.5169 0.2359 1.1616 0.2023 0.3767 0.5508 0.7694 0.7568 1.3155 1.8578 0.9519 0.6207 1.0000 0.7608 1.1357 1.2250 4.4261 suberate (C8-DC) 1.0533 0.9612 1.2824 0.8439 1.2299 1.1885 0.7893 0.9954 0.6700 0.7007 0.9975 0.7601 2.2734 1.1606 1.0025 2.7296 0.6536 0.3307 0.7769 0.3307 0.7052 0.3307 0.5812 1.5041 0.5604 0.3307 0.6248 0.3307 1.4178 1.1338 1.4242 0.6140 0.3307 2.6481 0.8566 1.0608 1.2067 0.8460 1.1433 0.3307 0.3307 1.0706 0.3307 1.1108 1.5342 1.3693 1.0118 1.2072 0.3307 0.3307 0.6432 1.0698 0.6398 0.9894 0.8074 0.3307 0.6015 1.0971 0.9207 1.7200 1.1753 0.5930 2.6522 1.0136 1.1819 0.8090 0.3307 2.4615 1.0031 1.0398 1.1925 0.8687 1.7541 2.0666 0.7540 0.8162 1.3127 2.6528 0.6453 0.8621 0.7614 1.5093 0.7375 0.8821 0.5755 0.9366 1.5652 1.5019 0.9371 1.2157 1.8471 0.8669 0.7461 0.7257 1.0967 0.9675 0.7794 0.3307 0.3307 0.3307 1.6007 0.7920 0.3307 0.9774 1.4808 0.7044 succinate 1.3819 0.9354 0.8097 0.9227 0.7852 0.8768 1.0151 0.8931 0.8057 1.0185 0.7068 0.7296 1.2179 1.8436 0.9406 1.1334 1.1341 1.0347 0.9569 1.1148 0.9756 1.2720 0.7253 0.9973 1.1750 1.3366 0.8390 0.8365 1.5402 0.8305 0.8449 1.5942 1.1057 1.4949 0.9600 1.3488 1.0027 0.9503 1.0324 0.7506 0.9134 0.9388 1.1554 0.8738 1.3078 0.8614 0.9036 0.9359 1.0947 1.1841 1.0657 1.7971 0.9365 1.2564 0.7894 0.7057 0.8440 1.2489 1.5456 1.2990 0.7744 0.8827 1.1452 0.8528 0.8502 0.7645 1.4147 1.2319 1.3600 0.8453 0.8433 1.0207 1.8023 1.2195 0.9608 1.2104 0.8372 0.9581 1.0776 1.3747 0.8762 1.2638 1.2409 0.8675 0.8221 0.9692 1.0293 1.2702 0.9466 1.1590 1.4778 0.9448 1.0412 0.9852 1.1116 1.1039 0.9402 1.2534 0.8062 0.8020 0.8976 0.8921 1.0811 1.1283 1.2110 1.0470 succinimide 1.1161 1.3020 0.8187 0.9446 1.1962 1.1379 1.0196 1.1605 0.9809 0.7469 0.7729 1.2085 0.5958 0.8166 1.1007 0.8484 1.1930 0.7599 0.6835 1.1991 0.7772 0.7574 0.9394 0.5683 1.7407 0.8734 1.2930 0.6740 0.8455 0.8689 0.9678 1.2533 0.4194 0.8197 1.0042 0.7653 0.5079 0.9330 0.7870 0.9432 1.5327 0.4965 1.1579 1.3595 1.4464 0.7294 0.8617 0.6992 1.5120 0.9180 2.6781 0.8033 0.8091 2.1534 0.5235 1.0471 0.7992 2.0985 1.0250 1.3081 1.0421 1.2263 1.1023 1.1826 0.5412 1.3785 0.7629 0.5571 1.2177 1.3012 2.0508 1.3680 0.7027 0.3839 0.7415 0.6561 1.9715 1.7477 1.1025 0.9093 0.9958 1.4329 1.6820 0.4115 1.3112 0.8087 0.9182 0.7764 1.8149 0.4724 0.9905 0.9705 1.6477 0.4772 1.1044 1.3125 1.9403 3.4555 1.4835 1.2812 5.0810 1.7395 1.5281 0.6833 1.0812 1.8654 succinoyltaurine 2.5450 4.5122 2.0602 0.6438 0.6140 0.2978 0.8175 0.5234 0.3712 0.4674 2.2287 0.5231 1.5565 1.5790 1.6136 2.2396 0.9003 1.6242 1.4069 0.8281 1.2070 0.4827 0.4400 1.3196 0.4266 2.0078 1.0455 0.8053 2.3602 0.8642 0.8838 0.7662 0.6736 1.2600 0.4008 1.1222 0.8177 0.9890 1.9640 0.2920 0.2754 2.1890 1.7144 1.3205 0.7372 2.0248 0.9236 0.8854 0.9692 2.8945 0.6815 1.3950 0.6708 0.4347 0.5257 0.5660 0.2754 1.6852 0.8826 1.1560 1.0786 3.0835 1.3564 0.4157 1.0123 0.7545 0.4183 1.7755 1.9697 1.5579 1.1227 0.9818 2.9218 1.5289 1.4494 0.8580 0.5029 3.3798 1.6844 0.9579 0.6631 1.0528 3.2751 0.7780 0.2754 1.0499 0.5350 0.7531 0.4014 1.7104 3.7514 1.4097 1.2696 1.0266 0.4540 1.1330 0.7950 0.3657 0.4740 0.5391 1.0587 0.4053 0.7301 1.5587 2.2803 1.0110 succinylcarnitine (C4-DC) 1.0581 1.8048 0.7411 0.6938 0.4766 1.0732 1.2187 0.5847 0.9500 0.5524 0.7664 1.0373 2.1650 0.9578 0.6931 0.8539 1.4228 0.9629 1.3907 1.0013 0.7088 0.9871 1.1198 1.1260 0.7396 0.9033 1.1474 0.5206 1.2424 0.9207 0.6977 1.2294 1.2233 2.1503 1.3406 0.7468 1.0218 0.9203 1.6876 0.6085 0.6423 1.1576 0.8869 1.0603 1.4522 1.6731 0.4783 0.9783 1.3575 1.7242 1.0532 0.8021 0.9987 1.3474 0.9768 1.1206 0.9502 1.3111 1.2393 1.1894 0.9539 1.3001 1.1757 0.7511 1.4612 0.8776 1.1514 0.8306 2.0837 1.6361 0.9004 1.6920 1.2316 0.5319 0.8448 1.3068 0.3442 1.0725 1.2464 0.9345 1.0444 0.5885 1.1073 0.9778 0.6742 0.6851 1.2199 1.5840 0.8978 1.1084 1.0014 1.1002 0.6810 1.0159 0.8879 0.8927 1.0965 1.0114 0.8631 1.0482 0.9137 0.5312 0.9009 0.8275 0.9936 0.8440 sucrose 0.8330 3.1466 0.3424 1.1548 0.2579 1.0056 0.1407 0.2562 0.9380 2.2043 0.3188 1.1187 3.9808 9.1030 1.5765 1.5331 2.3856 0.9609 1.0816 0.2657 0.2962 0.4186 1.0612 3.1390 0.4368 1.0853 3.0045 0.4645 8.6756 0.4995 1.2421 0.4783 9.5518 22.9792 0.5064 0.1407 1.5232 0.4689 0.8280 0.2135 0.1407 4.5087 0.9147 0.2007 0.7209 0.7893 0.4057 0.6157 1.8549 0.5391 0.5310 0.2919 0.1407 0.8928 0.1407 0.8645 0.2489 0.1407 1.3746 0.8621 1.0986 0.3562 0.8653 0.7976 18.2041 1.0661 1.0016 2.0333 0.1407 0.7119 2.2765 2.4823 1.8933 1.1455 0.8549 1.7775 0.6837 0.7164 1.6746 0.1407 0.1407 1.1445 1.2353 1.0000 0.1407 0.6323 0.1407 1.0952 1.8686 10.2802 1.5465 0.8964 0.8056 1.5274 1.3600 0.1407 0.9429 0.1407 0.1407 0.1407 0.9198 1.4534 0.1407 0.9903 1.9242 1.6344 sulfate of piperine metabolite C16H19NO3 (2)* 1.1325 1.2407 1.8132 0.4685 4.1800 2.1128 1.1032 1.1240 0.8398 0.4416 0.4394 1.1715 2.9333 0.4864 0.1124 0.9432 3.9959 0.9512 0.7407 1.9643 1.4655 2.6328 1.4810 0.1712 1.4692 2.5882 0.6101 0.1124 0.6574 0.1445 2.8115 1.0299 10.9044 4.1508 0.3137 0.3592 0.1526 0.3870 0.4736 2.1631 0.6441 0.6227 0.7509 0.4465 3.2840 1.7934 1.4343 1.6155 0.5682 0.2910 1.5492 0.4883 1.9731 2.5615 0.8956 1.0956 0.9445 1.8476 1.7374 2.8335 0.4772 0.4669 0.6570 0.4271 0.1124 2.1161 1.4858 1.5880 1.3483 1.2594 1.1603 0.6467 0.1883 0.1124 0.1608 1.0000 1.8293 0.6338 0.9041 0.3271 1.7273 1.3058 1.4022 0.2274 2.8600 0.7495 0.9526 1.0486 0.5901 3.6848 0.5001 0.4608 1.6236 0.2385 1.5586 0.7391 0.1788 1.9110 1.4179 0.3651 0.2023 0.3632 0.6452 1.0179 2.8908 0.8077 sulfate of piperine metabolite C16H19NO3 (3)* 1.2388 1.5890 1.7574 0.4926 4.0619 2.1074 0.8979 0.9671 1.0000 0.3058 0.2389 1.1702 2.3525 0.4894 0.1702 0.8334 3.6497 0.7448 0.7159 1.9431 1.0739 2.7082 2.0144 0.1702 1.5606 2.2594 0.4643 0.1702 0.3585 0.1702 3.0670 1.2328 9.3090 3.5913 0.2797 0.2601 0.1702 0.2465 0.3409 2.2504 0.3953 0.7692 0.5397 0.3796 2.9559 2.0291 1.2144 1.2774 0.4800 0.1702 1.3582 0.2855 1.7088 2.6126 0.9309 1.0047 0.7443 1.6921 1.4577 3.3471 0.3573 0.4434 0.4261 0.3680 0.1702 2.3649 1.0762 1.7871 1.0966 1.1166 1.3259 0.4960 0.1702 0.1702 0.1702 0.7379 1.9830 0.7819 0.8933 0.3367 1.3556 1.0485 1.1019 0.2625 3.1706 0.5986 0.6920 0.8128 0.4899 3.1604 0.3072 0.3162 1.7364 0.3018 1.5913 0.5765 0.1702 1.8970 1.5487 0.4706 0.1702 0.3835 0.6368 0.7352 2.6968 0.5887 sulfate of piperine metabolite C18H21NO3 (1)* 1.5548 1.2778 2.6374 0.7926 2.1073 1.6535 0.6508 0.4974 0.7037 0.2719 0.2719 0.9790 2.8285 0.3471 0.2719 0.2926 2.6056 0.4617 0.9421 2.2340 0.8672 1.0258 1.2503 0.2719 0.7138 0.7887 0.7047 0.2719 0.2719 0.2719 4.0663 0.7609 7.8384 1.1398 0.2719 0.2719 0.2719 0.2719 0.2719 2.8474 0.4603 0.2719 0.3393 0.7503 1.9077 1.6976 0.4994 0.9765 0.2719 0.2719 2.0491 0.2719 2.3206 1.9840 0.2719 0.8499 0.3225 3.3499 0.5906 3.5679 0.2719 0.3497 0.4093 0.9126 0.2719 1.8137 1.4298 2.4999 0.7977 1.0599 0.8914 0.3555 0.2719 0.2719 0.2719 1.0791 2.7479 0.3624 0.2719 0.2719 2.1032 0.8016 1.0998 0.2719 2.7298 0.7756 0.9243 0.8949 1.3632 4.0963 0.2719 0.2719 1.8245 0.6556 0.9058 0.2719 0.2719 1.0210 1.6378 1.3172 0.2719 0.2719 0.5969 0.4581 1.3092 2.9736 sulfate of piperine metabolite C18H21NO3 (3)* 1.5461 1.4624 2.3856 0.8215 1.7868 1.4474 0.9443 0.3497 1.0304 0.2675 0.2675 1.1117 2.2368 0.2675 0.2675 0.4712 2.0124 0.4344 0.6274 1.9721 0.7685 1.4319 1.2829 0.2675 1.0345 1.0003 0.5517 0.2675 0.2675 0.2675 4.0294 0.9558 6.4404 1.0603 0.2675 0.2675 0.2675 0.4123 0.2675 2.7811 0.8215 0.5330 0.3448 0.7910 1.4334 1.6394 0.7841 1.0556 0.2675 0.2675 1.5500 0.2675 1.7585 1.9458 0.2675 0.8312 0.4279 2.9477 0.5875 3.8936 0.2675 0.2861 0.2675 0.6349 0.2675 1.7028 1.2051 2.5274 0.8161 0.8463 0.8612 0.4884 0.2675 0.2675 0.2675 0.8590 2.7579 0.5846 0.2675 0.2675 1.5766 0.9274 0.8351 0.2675 2.7991 0.9437 0.9991 0.7895 0.8771 3.3556 0.2675 0.2675 1.6631 0.6393 1.1494 0.2675 0.2675 0.9997 1.5210 1.1585 0.2675 0.2675 0.7828 0.6325 0.9731 2.3642 sulfate* 0.9183 1.9198 1.0998 1.0957 0.8178 0.8119 1.1895 0.9179 1.0019 1.0919 1.1583 0.9642 1.2193 0.6294 1.0710 0.9633 1.2200 0.8505 1.5065 1.0575 0.8979 1.0476 1.2985 1.1915 0.8074 0.8387 0.9618 1.1015 0.6546 0.7044 0.8710 1.1732 1.1348 1.5293 0.9865 0.5993 0.8203 1.1100 1.0805 1.1223 1.0004 0.9769 1.0455 0.8733 0.7149 1.0801 0.8120 1.1459 1.0525 1.7109 0.9787 0.8133 1.3860 0.9891 1.1615 0.9077 0.8972 1.1301 1.0052 1.1652 0.9829 1.0837 0.9050 0.9719 1.0914 1.1105 1.3717 0.9621 1.5371 1.3057 0.9659 0.6669 0.9198 0.8364 0.7979 1.0282 0.8602 1.2146 1.2599 0.9579 0.8513 1.2508 1.3297 1.3751 0.8410 0.9317 1.2197 0.4571 0.9996 1.2627 1.1269 1.1149 0.9380 1.0100 0.7571 0.9732 0.9337 0.9264 0.9983 0.8577 0.9612 0.8384 0.8523 1.0207 1.3151 1.3902 tartarate 34.2482 0.1763 0.1763 46.4842 0.1763 0.1763 5.2774 0.1763 0.3209 0.1763 1.1883 0.3036 0.1763 0.1763 0.1763 1.6718 0.1763 10.5712 1.0297 0.5995 0.1763 0.1763 9.6850 0.1763 0.1763 19.4127 0.3947 0.1763 0.1763 0.1763 1.2107 0.1763 0.1763 5.2486 0.3447 0.6485 0.4601 0.1763 1.3606 0.1763 27.7454 0.1979 0.2450 0.8707 0.1763 7.4015 0.1763 0.7805 0.1763 0.1763 0.3913 0.1763 0.2309 1.6480 81.2215 1.2823 0.1763 2.7773 10.0654 0.3897 0.8354 0.1763 0.4137 0.7889 0.3028 0.1763 0.1763 0.1763 0.1763 2.3206 0.1763 0.1763 0.5524 0.4913 0.2737 0.1763 4.2872 4.3655 0.1763 0.5976 0.1763 0.1763 0.7665 1.2482 0.1763 0.1763 0.1763 0.8046 0.5083 1.1060 8.6697 0.1763 0.1763 0.1763 0.2573 0.1763 0.1763 3.2416 0.7733 1.8201 0.9703 0.1763 2.1928 1.1458 0.1763 0.1763 tartronate (hydroxymalonate) 0.8116 1.3506 0.1369 0.6643 0.9100 1.8510 3.2490 0.7906 1.3592 2.1075 0.8139 1.2611 0.2863 1.2559 1.6225 0.5992 0.8281 0.9054 0.7050 1.2905 0.5918 0.0882 0.7430 0.3984 1.4142 0.2216 1.9108 0.7380 0.0700 0.5999 4.0216 1.9151 0.6498 0.7138 0.2416 0.2179 2.0236 0.5029 2.2393 1.3432 2.7326 0.9512 1.7046 0.3305 0.6111 0.4213 0.2426 1.2156 1.6838 1.5412 1.6080 0.0700 1.4328 1.6005 1.6424 1.4268 0.5303 1.4470 0.3657 1.6524 1.0000 0.8811 1.6162 0.7785 1.0690 1.8345 0.8302 1.7928 1.8097 0.9944 1.0047 1.6919 0.5917 1.2339 0.3963 0.5311 0.6034 2.1527 0.5547 1.1029 1.1734 1.0376 0.8552 1.8951 0.9836 2.2284 1.1228 0.5740 0.9457 1.2428 0.1368 1.4451 1.1904 1.4453 0.8916 1.5795 0.2732 1.8136 1.5991 0.6742 1.0344 0.3626 3.6693 0.4468 0.8242 0.9133 taurine 1.3241 0.7917 0.5644 0.7087 0.7833 0.8115 1.2348 0.7331 0.9701 0.8256 0.4436 1.0142 0.8640 1.8682 0.7011 1.2417 0.8993 0.8081 1.2872 1.0955 1.4274 1.0697 0.7704 1.2483 0.8383 1.1801 1.0196 0.7953 1.1829 0.9627 0.6709 1.0901 1.0618 1.1474 1.0178 0.9091 0.9767 1.2807 0.8121 0.9123 0.8148 1.0957 1.0840 0.8688 0.7390 0.7664 0.6636 0.6418 1.5986 0.8925 1.0424 1.1159 1.2886 1.1667 0.9788 0.8065 1.0896 0.8006 1.1617 1.0160 1.2735 0.8665 0.7168 0.7762 0.9967 0.9958 0.8157 1.1910 1.1756 0.6299 0.8783 0.7920 1.2273 0.7356 0.8827 1.2923 0.6444 1.1643 1.0662 1.2730 0.9767 1.1431 0.8488 1.3729 0.7938 0.9002 1.3281 1.0859 1.1686 1.0095 1.0093 0.9479 1.3063 1.0811 1.2393 1.0222 0.7108 1.1647 0.9712 0.8995 0.9479 1.0033 1.2194 1.3290 1.1423 1.6258 taurochenodeoxycholate 3.7269 0.7744 0.7747 0.9913 3.4629 2.8054 0.6349 1.0307 1.6907 6.3043 10.6015 0.2901 0.1388 0.9684 3.1405 0.5848 1.7129 3.5583 0.3309 0.6624 3.9868 1.2392 1.0590 4.6508 0.4466 0.7748 0.4033 0.2386 1.2151 9.6997 4.5136 1.2381 2.1167 1.2595 0.2305 0.6336 3.8887 0.7155 1.8760 2.1405 7.4271 0.5994 3.0974 0.3779 2.7735 1.4867 0.7543 0.6396 1.2588 0.5028 0.5526 2.4826 0.6105 0.6749 0.7419 1.0087 0.3918 2.5355 0.5018 1.4101 0.6926 0.4718 3.1748 1.0848 0.4285 0.2453 2.1322 1.4439 0.1388 1.6401 1.8706 2.3251 0.3508 0.4911 1.1321 0.2801 6.4610 0.3727 1.2208 1.0686 0.7816 1.1847 0.5192 1.4458 1.2741 0.2404 0.3135 2.5894 0.8124 2.3995 0.9268 2.8439 2.6931 0.2091 0.7722 0.1388 0.1858 0.2892 0.5414 0.1564 0.4945 0.2999 1.0809 0.6382 1.7150 0.1538 taurochenodeoxycholic acid 3-sulfate 7.3996 0.7004 0.2343 0.8077 5.3776 2.1837 0.2343 0.2343 0.4485 3.3108 1.0387 0.4750 0.2343 0.6761 0.2343 0.4454 1.7248 1.7280 0.8185 1.0730 6.1699 2.8570 0.3007 0.2343 0.2343 0.3563 0.6854 1.0318 0.7026 3.6750 0.6829 0.8823 0.3694 0.4242 0.2343 0.7971 1.1390 1.2583 0.6629 3.9884 1.1349 0.2343 2.1557 0.5510 1.6346 1.4969 0.3235 0.9406 2.1003 0.4833 1.3690 1.3633 3.1791 1.8296 0.8522 0.4044 0.3532 1.8966 0.2343 0.2343 1.2673 0.4325 1.5061 0.2343 0.2343 0.2343 0.2343 0.9026 0.2343 0.8742 1.3141 0.3976 0.2808 0.9180 0.2343 0.2343 4.6449 0.6016 0.2343 1.7234 0.5743 1.9773 0.2343 0.5320 1.2432 0.6519 0.5887 3.1714 1.6554 0.2343 0.2343 1.0507 0.9682 0.2343 1.2771 0.2343 0.2343 0.2343 0.6494 1.1923 0.5811 0.7655 1.8226 2.5203 2.2370 0.2343 taurocholate 1.9379 0.8075 0.1506 1.0000 4.1017 2.7329 0.3957 1.1247 0.3359 5.3065 8.6942 0.1506 0.1506 2.7186 1.2061 0.2417 1.2024 8.4192 0.1954 1.7526 1.7855 0.7057 0.4906 0.8684 0.1506 2.0170 0.1506 0.1506 1.4030 3.9875 1.5974 1.0120 5.2190 1.7453 0.1506 0.4652 2.9397 0.1506 0.6659 2.3426 21.4114 0.3694 1.7391 0.1506 1.4939 1.0295 1.2458 0.6853 0.3169 0.1506 0.8972 0.4891 0.2104 0.3505 0.3305 0.3386 0.3335 1.6917 1.0290 0.1506 0.4416 0.4975 2.4970 0.4767 0.1506 0.1506 2.8362 0.5355 0.1506 1.0190 1.4811 4.5357 0.1563 0.6995 4.4763 0.1506 3.7067 0.1506 0.8376 0.3646 0.1683 0.1506 0.1506 1.5530 0.8321 0.1506 0.3322 2.0273 0.9753 0.6433 0.1798 3.2134 1.1841 0.1506 0.5275 0.1506 0.1506 0.1506 0.1506 0.1506 0.1506 0.1506 0.3745 0.3065 0.8831 0.1506 taurocholenate sulfate* 5.3153 1.6316 1.3747 0.2797 2.6454 1.7074 0.6900 0.7299 0.8645 0.9212 2.5385 1.0433 0.1252 1.8455 1.1260 1.0669 0.6037 0.9684 0.7366 1.4778 3.0503 0.7589 1.1754 0.8546 0.3132 0.9325 0.5133 0.5029 0.9063 0.3635 0.6707 1.0905 0.8943 0.4620 0.5623 0.6558 0.6231 1.8907 1.5712 3.4171 1.5867 0.9305 3.0082 2.2068 0.4523 0.8609 0.3863 1.0824 1.5625 2.0164 2.1425 2.3920 0.3962 1.6648 0.6056 1.9650 0.2137 4.5118 0.6001 0.4403 0.5040 1.0023 1.5104 0.7695 0.6554 0.2107 0.4249 0.3381 0.5753 1.1484 2.4510 0.7456 1.2841 0.4182 1.0410 0.3061 2.4633 1.6166 1.1343 0.5805 0.7445 1.1734 0.8325 0.9977 1.4975 0.7794 2.1751 2.3083 1.2751 0.3948 0.8728 0.9358 1.3109 1.7004 1.1230 1.9747 0.2152 4.5139 0.6570 1.1974 4.3183 1.7557 1.5417 0.6616 1.7235 1.0455 taurodeoxycholate 1.8041 2.0864 1.0209 0.1951 6.2014 2.9200 0.8247 1.3587 1.3298 7.7602 0.0562 0.0562 0.1959 1.2908 2.4988 0.5413 0.9468 3.4300 0.4414 0.5657 0.0562 1.0142 1.3263 7.2951 0.3898 1.2726 0.2223 0.0562 1.7331 0.0562 5.6927 1.2466 4.2667 1.4706 0.6197 0.7159 4.8300 0.0562 4.0992 3.0810 3.5887 1.2267 3.4268 0.5962 1.6384 1.7766 0.9166 0.5733 0.9858 0.3026 0.2002 1.4198 0.1969 0.6524 0.6090 1.3047 0.5663 5.5304 1.5351 1.1422 0.1502 0.3758 2.9970 2.2495 1.2942 0.2455 1.5445 1.2069 0.1247 0.7709 2.3831 12.3589 0.1702 0.5373 2.1646 0.0562 2.4853 0.0562 1.0554 0.6212 0.4618 0.4330 1.0384 0.7503 0.6702 0.3798 0.6579 2.3611 0.2374 2.7396 1.5085 0.8487 0.8113 0.2663 0.9270 0.0562 0.1704 0.3589 0.0562 0.0562 0.4689 0.2110 0.0562 0.2136 0.0562 0.1649 taurodeoxycholic acid 3-sulfate 4.3690 3.0974 0.5886 0.1944 6.0575 3.6881 0.6630 0.3879 0.5430 3.9407 0.1944 0.1944 0.1944 0.8053 0.5037 1.7730 1.6401 1.9035 2.3987 0.7755 0.5044 1.4058 0.4076 1.4610 0.1944 0.7936 0.7374 0.1944 1.0426 0.2999 1.7975 1.5836 1.0248 0.4852 0.4272 1.1018 1.3582 0.1944 2.1458 3.5906 0.3354 0.8089 3.0194 1.5243 0.6544 1.7812 0.6837 1.3130 1.6330 0.8563 2.0419 1.6038 0.5609 2.0515 0.7109 1.9239 0.5349 11.7309 0.6114 0.1944 0.4737 0.5772 2.3889 0.4721 0.2273 0.1944 0.1944 1.2384 0.1944 0.1944 1.4863 2.8379 0.1944 1.4357 0.6400 0.1944 2.2672 0.1944 0.1944 0.8342 0.6926 1.2170 1.1295 0.9140 1.1330 1.0000 2.3626 3.3144 0.5588 0.2052 0.4746 0.1944 0.3876 0.6976 1.3606 0.3578 0.1944 0.6128 0.1944 0.1944 1.7145 0.5886 0.1944 0.8365 0.1944 0.2402 taurolithocholate 3-sulfate 3.9433 1.7422 1.2493 0.2683 5.5067 1.6559 0.4960 1.2394 0.4767 1.7256 1.1576 0.3002 0.2517 0.7516 0.4206 1.9058 0.3968 2.6464 1.1123 0.8028 1.9615 1.0143 1.0789 1.6681 0.5283 1.1829 0.3150 0.1992 0.9163 1.0272 1.4991 0.9665 1.5665 0.3830 0.6888 0.6949 1.8944 0.6799 3.9052 3.3309 1.7588 0.9494 3.3015 2.2048 0.1292 1.9444 1.0157 1.2465 1.2757 1.3951 1.8975 0.5965 0.4407 3.4721 0.5863 2.1345 1.8013 5.9520 1.3904 0.5513 0.9897 1.0904 1.4740 0.9515 0.6420 0.3765 0.5735 0.8961 0.2080 0.5478 2.1230 1.2752 0.2839 0.4731 1.2853 0.1240 1.4652 0.2100 1.0080 0.5385 0.4876 1.9284 0.5790 0.5193 0.9388 1.2731 1.9326 2.4453 0.5646 0.3894 0.4073 1.0960 0.4478 1.4698 2.0386 0.8879 0.1240 1.2026 0.1602 0.5313 2.1139 0.8084 0.6485 0.4492 1.0000 0.2462 tetradecadienedioate (C14:2-DC)* 1.5594 0.9337 1.1251 0.1772 1.4857 0.6601 0.7185 0.8321 0.7488 0.3308 1.8240 1.3933 0.8206 0.6531 1.9022 3.9804 1.9360 0.6597 0.7958 0.8760 0.6037 0.6570 0.9951 0.3381 0.6140 0.7656 0.2310 0.4285 2.0946 1.3173 1.7729 0.9432 0.7851 0.7212 0.4227 1.3824 0.7299 0.9589 1.0049 0.6153 1.5221 0.5839 0.4468 1.8600 3.8473 1.1121 0.4276 1.4016 0.4575 0.6260 2.2376 4.7120 1.1246 1.1837 0.6193 0.3283 1.3777 1.5972 0.7192 0.3817 1.9010 1.7553 3.1560 1.8242 0.4207 0.5532 0.7277 1.3986 1.8619 2.1356 1.1460 0.5190 1.0417 1.0223 1.2051 0.5167 0.9866 4.6151 1.2277 0.9014 0.7218 5.8846 1.0205 0.6191 0.8799 0.7808 2.9928 2.6002 1.3051 1.0157 2.8139 0.7934 1.5515 1.1530 1.2104 1.9925 0.6907 1.6551 0.3177 0.7294 2.7237 2.0139 0.8337 0.8723 1.7865 1.2782 tetradecadienoate (14:2)* 0.9864 0.9321 1.0913 0.1608 1.8043 0.6779 2.5552 0.2146 0.7277 0.0634 0.8115 1.2201 0.7364 0.8785 1.7188 1.2911 1.0100 0.4278 0.7307 0.9255 0.7678 0.5659 1.2767 0.7321 0.8191 0.6981 0.4516 0.8283 1.9939 1.7743 1.5577 0.8923 0.5585 0.5745 0.5398 1.3491 1.6459 0.7431 0.7000 1.0403 1.5626 0.5394 0.9889 1.0158 0.9699 0.7249 0.6148 0.9665 1.0685 0.6396 1.8516 1.8527 0.9865 1.7506 0.3898 0.5558 1.3678 0.5244 1.0776 1.0639 1.3381 1.5887 1.4025 1.3901 0.7957 0.9673 0.8310 0.9900 1.2244 1.0735 1.4801 1.5158 1.6013 0.6576 1.4782 1.3238 0.6147 2.0096 1.6853 1.7632 0.4563 2.8768 1.2670 0.7943 0.9537 0.9053 1.6628 2.0975 1.2972 0.6405 1.2671 1.0842 1.8375 0.8273 1.3831 2.0411 1.4804 2.4113 0.2569 2.0920 1.0724 1.2924 0.8207 0.9056 1.3768 0.5560 tetradecanedioate (C14-DC) 1.7582 1.0500 1.3680 0.5196 1.9048 1.4807 1.2384 0.3645 0.8100 0.8344 2.4516 0.8847 0.9929 0.9320 4.4029 6.0795 1.4035 0.9299 0.6049 0.7057 1.4996 0.7227 0.6170 1.1609 0.4495 0.9351 0.7427 0.9576 1.6731 1.5046 2.1213 0.8815 0.6968 1.3118 0.6649 0.6588 1.1534 1.2407 1.5678 0.8045 1.4348 1.1340 0.8028 2.1308 3.6281 0.6080 1.4213 0.7996 0.9778 0.5524 1.5030 4.6357 0.8051 0.9160 0.3760 1.1199 0.5448 2.8790 0.5903 0.8978 1.3171 0.8053 3.8049 1.3926 0.4652 0.9748 0.5063 0.7992 0.5990 0.9743 1.0810 0.8908 2.8161 0.8418 0.9644 1.1447 1.2347 4.9413 1.0071 1.1714 1.3353 4.4011 1.3080 1.1280 0.6083 0.6426 1.6296 2.1056 0.5591 0.7450 1.5597 0.9219 0.5373 0.8531 0.7060 1.8065 1.3628 1.5590 0.3673 0.6614 4.0351 1.7728 1.0891 1.0678 1.7436 0.5543 tetrahydrocortisol sulfate (1) 0.5700 1.4221 0.9263 0.4203 0.4203 0.7446 0.4203 1.1893 0.4824 0.4203 0.4203 1.4978 0.5980 1.6335 0.4203 0.9133 0.4203 0.4203 0.6573 0.4203 1.4541 1.7293 0.4203 0.7731 0.4203 0.4413 0.4203 0.4203 0.9200 0.4203 0.4203 1.7754 0.7275 0.4996 0.4203 2.7579 0.4203 0.4203 1.7152 0.9879 0.4203 0.9303 0.4203 0.4203 0.4203 1.5639 1.6974 0.4203 2.0996 1.2123 1.2641 0.4203 0.4203 0.5567 0.8625 1.3564 0.5380 1.9907 0.4203 0.4203 0.4203 0.7995 1.3444 1.0281 0.4203 0.4203 0.4203 0.9912 1.9633 1.6700 3.5072 0.6814 3.6834 0.4203 0.4203 0.4203 0.4203 0.5787 1.5507 0.6804 0.4203 0.4203 0.8662 0.9077 1.3239 0.4203 2.0706 0.6159 0.6486 0.4203 0.4203 1.0411 2.0715 0.9267 1.4148 0.4203 1.0088 1.0166 0.4203 0.4203 0.4203 0.9075 0.4203 0.4203 0.5395 0.4203 theobromine 0.8825 0.8332 0.6035 0.1124 0.5902 2.1575 0.4551 0.2263 0.7390 1.5024 0.7752 0.7482 0.9183 1.3531 0.8374 4.5151 1.8541 0.5029 0.6476 1.1260 0.2870 1.6225 1.5741 2.2753 1.1203 1.4194 1.0959 2.4493 1.3442 2.0930 1.2935 0.6394 0.8636 1.9303 2.0269 1.3731 1.6456 1.0000 1.7895 0.4855 0.1124 0.4670 1.2216 0.9901 1.2397 1.4505 3.0168 1.4378 1.1826 0.4523 1.4598 0.1476 0.7934 1.4275 0.3999 0.2568 1.9976 0.6461 2.8407 0.1362 3.7859 1.2127 0.6231 0.2354 7.6573 2.5395 0.9977 1.4630 0.5451 0.8780 1.1329 2.1309 0.9920 0.2379 1.2308 0.3161 0.5664 1.3663 0.2716 3.5277 0.9340 0.5722 0.8579 0.9243 0.7475 1.2087 0.2411 1.1508 0.1433 0.3006 2.3427 0.4776 0.6013 2.1667 0.9962 0.7485 1.7735 1.3292 2.4428 0.9087 1.3018 2.7005 2.1539 2.3881 0.9639 0.8453 theophylline 1.0727 0.5940 0.7963 0.0131 1.0810 0.2826 0.6622 0.1250 1.0623 0.0624 1.6094 0.9980 1.0514 1.2493 1.1178 0.9653 1.8183 1.0442 0.7877 1.3300 0.3202 1.5634 1.8923 1.0280 0.8856 1.3299 1.2855 1.1948 1.2343 0.9756 1.5843 0.8200 1.7570 0.8162 1.7330 2.7061 1.8105 1.8315 1.3619 0.6884 0.0131 0.5099 1.4309 1.1566 1.2957 2.0830 1.0000 0.5931 1.5560 0.6865 1.5989 0.1584 1.1599 1.2407 0.8146 0.3488 2.2873 1.1667 1.8801 0.0939 2.9175 1.4199 0.7472 0.4744 0.9518 1.5735 0.8861 1.5356 0.9659 0.0858 0.7581 1.2417 1.6663 0.1998 1.6122 0.7366 0.5744 0.7875 0.3711 0.9791 1.0996 0.5517 1.1049 0.8656 1.1804 1.4711 0.1884 0.4658 0.0719 0.6223 0.7164 0.5636 0.8687 0.4734 0.1144 0.7472 2.0238 1.0718 0.5128 0.3757 1.0461 1.6083 1.2505 0.6793 0.6315 1.1614 thioproline 0.7765 0.9186 0.8368 0.9281 0.8649 1.1309 1.6495 0.7585 1.2745 0.7350 0.6654 0.8707 0.6182 1.7193 1.1361 0.8608 0.9473 0.7547 0.8430 0.8602 0.5779 1.0702 1.0315 1.0675 0.9166 0.7655 1.2113 0.7267 0.8116 1.7429 1.1292 1.0369 0.7662 1.4119 1.1910 0.8663 2.0349 1.3994 0.9352 1.1162 1.2467 1.1355 0.8616 1.1094 1.0000 0.9850 1.4100 0.6780 1.0515 1.2808 1.2320 0.8108 1.3683 1.4249 1.0334 1.5122 1.4167 1.3338 1.1004 1.1271 1.4388 0.8076 1.0407 1.5502 0.8327 0.9239 0.8411 1.0000 1.0956 0.7994 1.1304 1.3683 0.9723 0.4953 0.8849 1.3377 0.9234 0.8975 0.8222 1.1277 1.4553 1.2655 0.8844 0.8622 1.0665 0.6620 1.1450 0.6484 1.7789 0.9367 1.0209 1.3313 0.9193 0.8362 0.9142 1.2885 1.3846 1.0059 0.6685 0.9160 1.1655 0.8090 0.9338 0.8506 0.8043 1.1932 threonate 1.2646 1.3797 0.4192 0.6640 0.9356 0.9923 1.7859 0.6721 0.9895 1.5085 1.1774 1.5487 1.1160 1.2750 1.3920 0.5891 0.7167 1.3318 1.0999 1.0753 1.0191 0.4159 0.6781 0.9316 0.7202 0.8865 1.2576 1.3900 0.3038 0.5080 1.7842 1.5084 0.8981 0.9019 0.3089 0.2234 2.6822 0.3796 1.6500 0.8616 1.2975 1.5754 1.3997 0.3000 0.4439 0.7544 1.4439 1.0378 0.9494 0.9835 0.9445 0.1720 1.0935 1.2769 1.3989 1.0077 0.5025 0.9413 0.6759 1.7160 0.8598 1.3403 1.0308 0.5985 1.1237 1.2446 1.3143 1.4882 1.0680 1.0188 0.9826 1.1738 1.3811 0.9011 0.8719 1.5151 0.4635 1.2190 0.5030 1.0917 0.7989 0.7285 1.9941 1.4495 0.8436 1.2017 1.1164 0.5131 1.1419 1.4172 0.3925 0.9692 1.3297 1.2774 0.7569 0.9896 0.3353 1.0456 0.9907 0.8205 0.9215 0.5177 1.0897 1.4669 0.9884 0.6503 threonine 1.2540 1.0134 1.2642 0.8429 0.9824 0.7166 0.8255 0.9750 1.2427 1.0458 1.0533 0.5980 0.7280 0.6791 0.6864 0.7062 0.6553 1.0721 1.3294 0.8683 1.1344 1.0586 1.4467 1.1050 1.2927 0.8128 0.8472 1.1099 1.1945 0.9404 1.1167 0.9844 0.7132 0.6941 1.0915 1.2030 1.0616 0.6525 0.6775 0.9249 0.8426 1.0086 1.0166 1.1994 0.9168 1.0768 0.8589 0.9519 0.8849 0.7025 0.9813 0.9151 1.2227 0.9018 1.0186 1.2954 1.1744 0.8018 0.9078 1.3759 1.2996 1.1641 0.7968 1.1909 0.9112 1.3848 1.1276 0.9107 0.8547 0.8787 0.9729 1.1586 0.8769 0.6416 1.1749 0.9218 0.6241 1.4983 0.9937 0.7271 1.2907 1.1057 1.3249 1.0063 0.8402 0.6232 1.5825 0.7781 1.4694 0.7404 0.8385 1.1371 0.9572 0.8938 1.6850 1.1476 1.1250 0.9802 1.0404 1.2332 1.1966 1.4712 1.2853 0.9717 1.2045 1.2980 thymol sulfate 1.4795 2.0522 0.9383 0.3727 0.9493 0.5783 0.6400 0.1535 0.5604 0.4735 0.5689 0.1535 5.1881 2.5954 0.1535 1.0114 0.1535 0.4534 0.1535 7.7675 1.7897 23.9184 0.7431 0.1535 2.1829 7.3366 0.8801 0.4649 0.1535 0.1535 48.4457 0.1535 2.0217 0.8609 0.1535 2.3319 0.1535 0.4750 0.1535 1.3935 0.1535 0.1535 0.1535 0.3652 0.5521 0.1535 0.1535 0.1726 0.4870 5.2450 5.9250 1.3882 0.9524 0.3790 0.1535 0.1535 0.1576 0.4876 5.4112 3.9809 1.4009 0.2695 0.1535 0.1535 0.8374 2.4289 5.6659 0.4781 0.1535 5.6575 0.2631 0.6387 1.2962 0.1535 1.7061 0.4597 5.5293 0.5987 0.9886 0.1535 1.0536 27.9412 7.8910 0.3339 0.1535 0.1535 0.9495 0.7044 3.0324 1.0788 1.8004 0.1535 0.4830 0.8495 0.1535 0.2391 0.1535 3.0707 0.4508 0.1535 0.1535 6.6673 5.9236 4.0911 4.6321 1.8980 thyroxine 0.8964 1.2814 1.2562 0.9866 0.8498 1.1747 1.2861 0.9896 0.8752 0.7577 0.9073 1.1865 1.1357 0.9126 0.9449 1.0738 1.1875 0.9345 0.8383 0.8433 0.9677 1.0517 0.8302 1.1537 1.0231 0.6837 0.9454 1.0186 0.6659 1.3954 1.1376 0.8029 1.0541 0.7026 1.2901 1.2409 1.0651 1.0611 1.1320 1.2774 1.0740 1.2572 0.7981 0.9795 0.8583 0.9180 0.9817 0.6122 0.9769 0.9577 0.9868 0.9277 1.4423 1.3429 1.3803 1.1271 0.9218 0.9115 1.1270 0.7727 0.9968 1.0813 1.0591 0.8096 1.5187 0.6230 0.9477 1.2891 1.0845 0.6948 1.3932 1.4883 1.3245 0.8540 0.9442 1.4318 0.9093 1.1349 1.2648 1.0011 0.9957 0.8756 1.1620 1.3522 0.8635 0.8708 0.9623 0.7464 0.9657 1.3391 0.7477 1.1949 1.0325 1.2171 0.9607 1.1107 1.2529 1.0560 0.9286 1.1182 0.9989 1.0733 0.8588 1.1081 0.7840 1.2965 tiglylcarnitine (C5:1-DC) 1.0122 1.4028 1.0189 0.8316 0.8218 0.6171 0.3234 0.7306 1.1715 0.5553 1.9481 0.8624 2.3925 0.4089 0.8055 0.4542 0.7019 0.7579 1.4856 0.4818 0.5878 0.8038 1.0764 1.2172 1.3632 0.8529 0.6118 1.3675 0.8990 1.0843 1.0195 1.0269 1.3323 1.3027 0.9969 0.5603 0.6095 1.0161 0.7941 1.3662 0.6350 1.2019 1.7338 1.0031 1.2184 1.1469 0.3412 1.5112 0.7693 1.4772 1.6311 1.6207 1.5287 1.4626 0.8112 0.9730 0.4070 2.0237 0.8151 1.5951 0.7089 1.0631 0.9553 0.8662 0.7042 1.2004 1.1848 1.3504 0.7884 1.2044 1.5848 0.7939 1.3322 0.5709 0.9166 1.2873 0.6471 1.3018 1.1559 0.4260 0.5897 0.8140 0.9467 1.7906 0.7411 0.8346 1.0125 0.2711 1.2571 1.1105 1.2552 0.9690 1.2144 0.7902 1.0827 0.8006 0.6268 0.9757 0.5105 0.8048 1.3301 0.5763 1.0198 1.0425 1.1034 1.0164 tramadol 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 1.5837 0.0544 1.2927 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.7073 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 0.0544 trans-4-hydroxyproline 0.6981 3.3794 0.9394 0.5893 0.6854 1.4758 1.5709 1.5745 0.7202 1.1122 1.4047 0.7076 1.3186 0.6716 0.4512 1.6400 0.6207 0.9418 1.7367 0.9063 0.9946 1.3958 1.0629 0.7847 1.6101 0.8410 0.6033 1.1331 1.0092 0.6427 0.7444 0.8777 1.3372 1.4563 0.9963 2.1356 0.4654 0.7832 1.1683 0.3350 0.5336 0.8087 0.8443 0.8530 2.0868 1.1407 1.5941 0.9494 0.7248 1.2354 0.7380 0.9615 1.0996 1.0269 1.4894 0.9278 1.7223 1.2739 1.9598 1.2409 3.5055 1.1596 0.6140 0.8990 0.8835 0.7750 1.6764 1.3138 1.5800 0.9051 1.2619 1.1625 1.1134 0.7780 0.8263 0.8020 1.3590 1.2059 0.5767 0.6034 0.9570 1.7690 1.0712 1.4253 0.9210 1.3934 1.6278 1.8567 0.4906 1.4904 1.0037 0.8047 0.7630 4.7091 1.4164 0.7686 1.0320 0.9094 0.7426 0.8183 0.9866 0.7976 0.5353 1.3861 1.2309 1.2123 trans-urocanate 1.4203 0.6487 0.6913 0.4511 0.6794 0.6399 0.7588 0.9023 1.4275 0.3993 0.9469 1.0155 0.8919 0.7997 1.0279 1.3264 1.1067 1.3939 0.8315 0.9315 1.1111 0.9345 1.0498 1.9006 0.6020 3.1834 1.0155 0.6068 0.9030 0.5995 0.8472 1.2102 1.4468 0.9908 1.1745 0.7330 0.9506 1.0497 0.8597 1.0117 0.9177 0.6040 0.9198 1.6484 0.6548 1.0666 2.4170 1.0158 0.8533 0.7602 0.4793 1.0092 0.5185 0.7110 0.9000 0.8605 0.4134 0.6078 1.2314 1.6902 0.8155 0.9774 0.6782 1.0998 1.2104 0.6485 1.2007 1.9331 2.3278 0.6047 1.3993 2.9648 0.7649 0.3147 1.2118 1.2623 1.1694 1.2978 0.7793 0.7616 0.7250 1.1232 0.8007 0.9090 1.1648 1.0407 1.6480 0.6844 1.0579 1.5846 1.5679 1.1134 1.2693 1.2469 0.5965 1.0161 0.8573 1.0799 0.6734 0.9205 1.2078 1.4999 2.2763 1.0849 1.4075 1.2784 tricosanoyl sphingomyelin (d18:1/23:0)* 1.0134 1.2848 1.0563 1.1580 0.8743 0.7429 1.0992 0.7991 1.1431 1.0123 1.2196 0.9158 1.1209 0.8300 1.0680 0.8548 1.1618 0.6547 0.9017 0.7298 0.9827 0.7558 0.7222 0.9662 0.6642 0.9361 0.9325 0.8761 1.1425 0.9778 1.2718 0.8825 1.5019 0.6200 0.8293 0.8348 1.1214 1.2184 1.0932 0.9362 1.0364 1.0832 1.0078 0.6658 0.4822 0.8348 1.2133 1.3587 0.8110 0.8390 1.0799 0.8203 1.0528 1.3828 0.9402 0.7242 0.8967 0.9968 0.9125 1.1129 1.0588 1.0032 0.7334 1.0458 1.1874 1.2413 0.9098 0.9790 1.2145 0.7090 0.7133 1.7698 1.0737 1.5839 0.9516 1.9371 0.5941 0.8340 0.9612 1.0396 0.8759 1.1386 1.5200 1.6089 1.0439 1.3340 0.9007 0.6621 0.8557 1.5978 1.1533 1.0784 0.6651 0.9394 1.0917 0.7010 0.6835 1.6405 1.0673 1.2578 0.8845 0.8403 1.6944 1.9205 1.0867 2.1722 tridecenedioate (C13:1-DC)* 2.0713 1.2091 1.1589 0.3176 1.4239 1.0124 0.5529 0.4366 0.9948 0.4074 1.7742 0.9798 1.3915 0.9209 1.6491 1.9679 2.0312 0.8410 0.6865 0.9388 0.8254 0.5911 0.7282 1.1935 1.2775 0.8172 0.3653 1.2879 2.5235 0.8675 0.9190 0.9748 1.0371 0.6348 1.1317 1.7136 0.4685 1.0727 1.6470 1.0439 0.7907 0.7349 0.8915 1.6289 1.6785 0.8021 0.8691 1.0464 1.3158 0.5659 1.7937 0.6227 1.2390 1.3862 0.5408 0.9030 0.9648 2.1312 0.5739 0.9950 1.0118 1.1152 2.6737 1.1173 0.2906 1.2457 0.7867 0.9027 0.9269 1.1900 0.8660 1.0618 2.7404 0.8119 0.8675 1.0056 0.2895 1.8085 1.5286 0.9042 1.0230 2.0569 1.4099 1.1828 0.6144 1.0842 1.9067 0.6069 0.8849 0.9539 1.3701 0.8206 0.8740 0.8180 1.0161 1.0050 1.2211 1.6497 0.3954 0.3481 1.6250 0.9007 1.2025 0.9950 2.5811 0.8872 trigonelline (N'-methylnicotinate) 1.0929 1.1946 3.0179 0.5442 0.1295 0.1015 1.4784 0.4888 1.0502 0.4117 1.7867 1.4594 1.0234 2.1292 2.2293 1.0060 4.2080 1.1841 1.5153 0.8669 0.3621 0.2857 2.6897 0.7062 1.2974 1.4215 1.5775 1.9067 1.6642 1.0362 0.9789 1.9369 0.9940 1.2514 1.7292 0.8019 0.7038 4.1521 1.5512 1.0907 0.2610 0.6639 1.1460 0.8283 0.7317 2.5094 1.2874 1.1424 1.3830 1.6874 1.6890 0.5293 1.7050 1.1824 0.6651 1.3220 0.9156 2.0826 2.2509 0.0917 2.0499 1.3123 0.2318 0.2136 0.6518 1.2494 0.8246 1.0663 1.5289 0.1488 0.2875 0.7648 1.7009 0.7728 0.8170 0.4162 0.2301 2.4907 0.4666 0.4843 0.8938 0.2693 0.9246 0.8794 1.3512 1.0382 0.0217 0.1867 0.1406 0.7819 0.9402 1.0197 0.7208 0.8789 0.0491 0.7253 1.2325 0.8987 0.5364 0.4334 1.0369 0.4842 0.9497 0.1538 1.2308 1.9979 trimethylamine N-oxide 1.0258 2.0226 1.1238 1.2876 0.3763 0.9242 1.1025 1.2180 1.1321 0.7648 2.0522 0.8918 1.1031 0.6814 0.7874 0.9755 1.0747 1.0963 1.2834 1.1840 0.8374 0.8746 1.0108 0.5746 0.9864 1.3820 0.3982 1.0863 0.9276 0.7205 0.9156 4.0205 1.4403 0.6683 0.9608 0.6954 0.7545 0.6018 1.7180 0.9656 0.5187 2.1831 1.5149 0.9506 0.6863 0.8088 0.6728 1.4162 0.9831 1.6712 1.1578 1.3405 1.3866 1.8755 0.9183 0.9797 0.9446 1.1260 0.9807 2.1590 0.9922 1.0693 0.8993 0.7587 2.4352 1.2226 1.6824 1.5194 2.9140 0.6446 0.9477 0.9522 1.1261 2.2809 0.7417 2.1201 0.7740 0.9634 1.5894 0.7868 0.5462 0.8643 0.6913 2.2452 1.0207 1.0205 1.6731 0.8235 0.9246 1.1277 1.5531 1.0078 0.4577 1.1318 1.1086 0.7755 1.1551 1.7827 0.7010 0.9726 0.6870 0.6873 0.9695 1.0810 1.8581 1.6533 tryptophan 1.1442 1.3592 0.9185 1.5027 1.1190 1.1146 0.9126 0.7910 0.9332 0.8600 0.8335 0.9442 0.8450 0.7573 0.8621 0.7553 0.9504 1.0547 1.1160 1.2249 0.9821 1.1537 0.9993 0.8156 1.1295 0.9613 1.2460 0.9449 0.8548 0.9469 0.7245 1.3669 0.7979 0.8632 1.0907 0.9496 0.8723 0.8898 0.7793 1.0418 0.9742 0.9848 1.3695 1.1937 0.8388 1.3239 1.0025 1.0330 1.0007 0.8665 1.1745 0.8487 0.8636 1.3128 0.9304 0.9585 0.9288 1.3818 1.1028 0.9701 1.1695 1.4459 1.1623 1.1726 1.0232 1.1606 1.0151 0.7403 1.2778 1.0021 1.3084 1.4809 0.8277 0.5671 1.1121 1.0070 0.7051 1.0890 1.1202 0.9537 1.2258 0.8743 1.0287 0.9980 0.9320 0.8106 1.2846 0.8139 1.0073 0.9710 0.9347 1.3544 1.1744 0.9185 1.5114 1.0484 1.3113 1.0009 1.0411 1.2449 0.9542 0.9139 1.1313 0.9677 0.9684 1.4320 tryptophan betaine 7.8612 2.3686 1.9909 0.6759 2.1531 0.3778 0.3797 0.2783 12.1591 0.3763 0.7727 0.7048 0.0386 0.2178 0.0407 1.2261 0.8748 1.1935 0.1882 1.8513 0.0386 0.5506 0.0696 3.4825 0.8332 1.7398 0.0386 2.1493 0.1209 1.3731 0.2078 0.8737 0.4181 0.2237 0.3147 0.3401 3.7202 0.0889 0.9331 0.4072 0.2187 0.4705 0.1388 1.7072 0.1476 1.7987 2.0406 6.3531 0.3675 0.9134 1.5313 0.2167 5.2804 1.0461 6.5652 0.1999 0.2160 14.1608 22.6864 3.2918 13.8395 0.9539 0.2533 0.6510 0.4193 4.7494 3.3377 1.2880 0.1630 1.7274 0.2488 0.3515 0.1595 0.0748 0.7703 10.9656 0.5030 6.5175 1.4666 0.7980 0.2579 0.1590 11.7597 1.3065 0.5803 4.9500 2.0769 1.8562 0.1022 4.7813 5.3818 0.0551 1.5277 1.1689 1.9010 3.2007 2.9210 0.3104 9.3042 5.9650 6.5123 1.9543 3.1313 10.0716 6.6663 4.9594 tyramine O-sulfate 1.7746 0.9008 5.0998 1.6492 0.7119 0.3013 0.2067 1.0090 4.6663 14.2995 0.6912 0.5166 0.6450 0.1698 2.6783 0.4517 1.8428 2.0210 11.1099 0.1589 0.4038 0.2110 0.3041 2.1874 0.1756 0.6247 12.8175 6.2591 2.8286 4.1281 13.7009 0.9602 11.3127 1.5929 7.0908 6.3468 3.1663 3.0513 0.2770 9.8647 0.4364 0.3326 3.3798 0.2077 6.1300 7.4165 15.9774 5.0143 1.1715 1.6523 0.5436 3.8292 1.7763 1.2627 0.6703 5.2822 0.2232 0.5664 0.4831 1.7790 0.7642 0.2680 1.8546 1.0659 0.1474 5.1271 0.1364 1.6907 0.2652 1.0435 0.1536 0.8685 1.1856 0.1364 1.5781 0.1894 0.2212 0.3042 19.6899 5.8084 0.7859 0.3168 0.1364 1.7873 1.6512 0.1364 0.2689 0.3713 0.6741 1.4082 0.7438 0.5705 0.1364 2.4981 0.3737 0.1364 1.1332 0.2781 3.2523 0.2563 0.3137 0.3951 0.1364 0.7414 0.9910 0.3109 tyrosine 1.2064 1.0249 0.8061 0.9952 1.1747 0.9979 0.8769 0.7361 0.9215 1.0430 0.7595 0.9976 0.8652 0.7138 0.8859 0.7395 1.0722 0.9186 1.2167 1.1421 1.0005 1.1870 1.2166 0.8785 1.1041 0.9235 1.2531 0.9887 0.7884 1.5004 0.9108 1.4411 0.9572 0.9164 1.1773 1.1020 1.3320 0.7168 0.8454 1.2046 1.0474 0.7489 1.2587 1.0856 0.8389 1.4668 1.1102 0.9130 0.8432 0.7803 1.1001 1.5098 0.9159 0.9331 0.9738 1.2867 0.7288 1.2324 1.3092 0.9335 1.2443 1.0573 1.0169 0.9373 1.0521 1.0447 1.2067 0.6732 1.1596 0.8323 1.0533 1.2617 0.9416 0.4986 1.1559 1.1556 0.6555 1.3220 1.1098 0.8717 0.9871 1.0076 0.9483 1.1162 0.9294 0.7104 1.1131 0.8501 0.9298 0.7838 0.9694 1.2785 1.0134 0.9300 1.6400 1.2205 1.0843 0.8544 0.9995 1.5321 0.9151 0.9679 1.0703 0.6830 1.2287 1.0554 umbelliferone sulfate 0.9325 1.3248 1.5506 0.2354 48.9409 0.2354 18.7568 1.1668 0.2354 0.7783 1.2267 0.5956 4.1609 2.9024 3.0286 0.4317 3.7556 2.9685 3.1087 0.2354 1.5956 0.2354 0.7449 0.7747 1.1972 0.4230 6.9273 0.2354 0.2354 0.2354 0.2354 0.2760 0.2354 1.4779 3.5697 1.2807 0.5721 0.5566 0.8731 0.2354 0.2354 0.2354 0.2354 0.2354 0.5171 0.2354 0.2376 0.6034 0.2354 2.7362 2.0234 2.7882 0.2354 13.5652 0.2354 0.2354 0.2354 1.6590 0.2354 0.2387 1.4627 1.0000 0.2354 0.2354 0.2354 0.2354 0.2354 0.2354 0.2354 0.2913 4.9551 0.2504 0.7333 0.2354 0.2354 2.8765 0.4306 0.2354 0.2354 0.2354 9.9852 0.2354 1.7540 0.4676 0.7616 0.3736 0.2354 0.2354 0.4669 0.2354 0.2354 0.8680 0.5825 1.6008 0.2354 0.5320 0.2354 0.7482 0.2354 0.2354 0.2354 0.2354 0.2480 0.2354 0.2354 0.2354 undecanedioate (C11-DC) 0.7703 0.7962 1.1488 1.0481 1.2865 1.8155 1.0399 0.7002 0.8615 0.8343 0.6087 0.3756 0.3756 0.7271 0.9282 1.4991 1.0832 1.6572 0.5728 0.9819 0.7347 1.1544 1.0896 0.6904 0.3756 0.3756 0.9539 1.2945 1.3897 1.0893 1.1114 1.0060 0.3756 1.4845 0.9922 0.8356 1.2916 1.7542 1.2537 0.9907 1.0702 0.9158 0.6401 0.3756 1.1509 0.8623 0.8945 0.3756 0.8430 0.3756 0.7913 0.8435 0.9045 1.6118 0.3756 1.7288 0.7325 1.0762 0.6171 0.9580 1.0449 1.2698 0.9450 0.9775 1.1555 1.0216 0.7354 1.0232 1.2012 0.9454 0.9106 1.2918 1.3827 1.2361 0.3756 0.7743 1.0765 1.6147 0.7933 0.5962 0.7396 1.4661 1.4663 0.3756 0.5598 0.9940 1.1745 1.0930 0.3756 0.9903 0.3756 1.2285 0.9328 1.3174 1.3136 1.1362 0.8470 1.3432 1.0184 0.6921 1.1313 0.9272 0.8771 0.8949 1.0398 0.9922 undecenoylcarnitine (C11:1) 1.4236 0.3484 0.5964 0.2318 0.4724 1.0880 0.5101 0.2761 1.4582 0.2180 0.5181 0.8591 0.8498 0.7968 0.5595 0.7364 1.4488 0.5304 0.8235 1.4925 0.6913 0.4581 0.6647 0.9216 0.9712 0.4817 0.6573 0.8465 1.1272 1.1546 0.5483 0.7741 1.2255 1.1610 1.8241 0.5669 0.4946 1.9418 1.1566 1.1091 0.9374 0.4630 1.0082 0.8314 1.1385 0.4676 0.2450 1.2913 2.0894 1.7047 1.8318 0.4775 1.9973 1.5945 0.4393 1.2433 0.6939 3.3446 0.5674 1.5747 1.2426 0.8940 1.3411 1.1064 0.4164 1.1798 2.4245 0.8328 0.9487 1.1299 1.4338 2.3891 3.6277 0.6211 0.6283 0.9918 0.2269 0.9914 1.2493 1.1267 1.4462 1.2232 1.5924 1.9002 0.7554 1.3450 0.7421 0.7860 1.6518 1.5108 1.0318 1.4142 0.6303 0.6773 1.0376 1.0996 1.7502 1.6764 0.6159 0.6280 1.3015 0.6592 1.7390 1.5497 2.2331 1.9231 uracil 0.9152 1.9126 0.5604 1.4156 0.8956 0.7114 0.7298 1.5879 0.6581 0.6513 1.0326 0.9988 1.0804 0.7741 1.0710 0.9502 1.4305 0.9991 1.3061 0.5794 0.9954 0.5892 1.0562 0.9720 1.1135 0.8645 0.6204 1.1079 0.9142 0.6933 0.5604 1.8994 0.6294 0.9896 1.2953 0.5604 0.9504 0.9467 1.1056 1.5194 1.6212 0.5604 0.7258 1.2038 0.8426 1.3409 0.7371 0.7728 0.8059 1.2904 1.0000 0.7477 0.7814 0.9129 0.9822 0.6102 1.3312 0.9380 0.7323 0.8742 0.9227 1.1126 0.6935 1.0922 1.3518 1.2658 0.7742 0.8454 1.7743 1.1914 1.1067 1.0454 0.9602 0.7578 1.3465 0.9919 1.0320 1.2423 1.2074 0.8291 0.7185 1.2277 1.4240 1.5697 0.8406 0.7750 1.8970 0.8646 1.2983 1.1019 1.5877 1.2474 1.5573 1.3398 1.2142 0.9029 0.6751 0.8517 1.3599 1.2740 1.0432 1.2430 1.0390 1.4468 1.5486 1.1157 urate 0.9165 1.4922 1.0296 0.6925 0.8198 0.8526 0.8962 1.0850 1.0947 0.6467 0.9174 1.1669 0.8611 0.9029 1.5069 1.1445 1.0103 1.2166 1.0063 0.9738 0.7899 0.8565 0.7622 0.8690 1.0971 0.7242 0.9270 1.1364 0.9086 0.8026 0.6180 1.3750 1.2047 1.1785 0.8130 0.9342 0.6412 0.9717 1.2068 0.9746 0.6064 1.0136 0.9016 0.7786 0.9568 1.1985 0.7331 1.1027 0.8612 1.2599 0.8183 1.1869 1.0795 0.7339 1.1448 1.1092 0.8362 1.3649 1.0399 1.0852 1.2410 1.0724 0.7133 0.7613 1.0891 1.4135 1.0827 0.7718 1.4303 1.1726 1.3762 1.0683 1.2443 0.6895 1.0354 0.8503 1.3168 1.4602 1.2968 0.8538 0.9690 1.2843 1.1116 0.9264 0.6870 0.7010 1.1013 0.8131 0.7366 1.7506 0.9908 1.2774 0.9123 1.1714 0.8309 0.8341 1.3290 0.9937 0.9886 0.8344 1.0533 1.0780 1.0853 0.8839 1.3331 1.1745 urea 0.8402 3.7212 0.9469 1.0316 0.5358 0.7834 1.1462 0.8711 0.8773 0.7153 1.3611 0.8430 1.1024 0.5833 1.3507 0.8511 1.3989 1.0535 2.0899 0.9270 0.8306 0.7356 1.0816 1.2330 0.9762 0.9764 0.8534 1.7542 1.1266 1.1433 1.0481 1.3100 1.4881 1.3041 1.0386 0.4111 0.7472 1.0013 1.0537 0.8923 0.9082 1.0743 0.9898 0.7669 0.4945 1.0730 0.9407 1.2100 0.7901 1.7045 0.9479 0.7847 1.4840 0.9909 0.9490 1.0394 1.0748 1.5882 0.9493 0.9552 1.0526 1.1020 1.1561 0.8950 1.0788 1.5319 0.9697 1.2440 1.8750 1.2180 1.1789 1.2146 0.9639 0.6516 0.9628 1.0678 0.8632 1.1571 1.9988 0.5600 0.9611 0.9564 0.8291 1.5681 0.6174 0.7306 1.6060 0.5893 1.2172 1.4723 1.1133 0.8401 0.9443 1.2201 0.9987 0.8227 0.5993 0.7439 1.1500 0.9023 1.1307 0.6451 0.6732 1.2712 1.6823 1.5800 uridine 0.9383 1.3729 0.8930 1.0030 1.1272 1.0959 0.9707 0.8150 1.2258 0.5208 0.8727 1.0212 0.9026 0.9559 0.7893 0.7705 1.0926 0.9970 1.1940 0.9890 0.9396 0.5902 1.3368 0.8367 1.0481 0.9738 0.6755 1.0241 0.9723 0.7147 0.6718 1.2653 0.5798 0.7827 1.0234 0.7028 0.8435 0.8740 0.6661 0.8903 1.2838 1.1356 0.9956 0.8126 0.8039 0.8000 0.9183 0.6903 0.8605 1.1298 1.3750 0.6795 0.8192 0.8994 1.0223 0.4871 1.1771 0.9848 0.9878 0.9783 0.8009 1.2396 0.7740 1.1296 1.0895 1.0600 1.5339 0.7592 1.2364 1.2003 1.1489 1.3365 0.9515 0.6805 1.3413 1.2612 0.9594 1.4539 1.0801 0.8833 0.8453 1.2156 1.4098 1.5854 0.9483 1.0277 1.3844 0.7276 1.2380 1.0478 1.0433 1.5623 1.2570 1.1413 1.1547 0.9831 1.0637 1.3794 1.0275 1.3020 1.1818 0.9880 1.2250 1.0375 1.0794 1.4099 ursodeoxycholate 0.2108 0.0291 0.1099 0.4497 0.5016 0.4561 0.1599 0.0291 1.1509 2.1888 0.0291 2.3803 4.9589 1.5983 0.7712 1.3163 1.6362 0.3872 4.7332 1.0641 0.1104 1.7420 0.0291 1.5158 2.2980 0.2749 2.4054 7.7907 0.0291 0.0291 0.0291 2.4986 0.4044 0.9906 1.9473 7.0616 2.4876 0.2520 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 6.2412 0.0291 0.8675 1.3965 1.4726 0.2939 0.2437 8.6310 1.0781 0.0291 0.5388 1.0655 2.0816 0.0291 0.0291 0.6638 0.3594 0.6399 0.0291 0.6022 0.7767 0.5848 1.7338 0.6076 0.6551 0.6331 0.1775 0.0291 1.3931 0.0291 1.0619 10.3556 2.4817 0.0291 0.5865 1.2836 0.5341 0.6373 0.0291 0.8877 0.3012 0.0291 0.0291 1.1332 1.0000 7.6595 2.6119 0.0291 2.0858 1.7171 0.7683 0.0291 1.7263 0.3538 0.4841 0.0291 0.0291 0.0291 0.0291 0.2475 0.9355 2.0477 valine 0.9788 0.9174 0.9238 1.0512 1.0960 0.8146 0.8809 1.0219 1.0413 0.6662 0.9129 0.8445 1.3215 0.6769 0.8843 0.7624 0.6776 1.1522 1.1001 0.8588 0.9474 0.9075 1.1220 0.9305 1.0318 0.9496 0.9546 1.1008 0.7499 1.2316 0.6869 1.0466 1.1693 0.7213 1.1188 1.0995 0.9723 0.8041 0.8604 0.9713 0.7164 0.9714 1.1728 1.0177 0.9441 1.2909 1.0861 0.7017 0.8652 0.8853 1.0625 1.7195 0.8058 1.0434 1.0621 1.1246 0.7776 1.1357 0.9809 1.1998 1.0818 0.9898 1.0548 1.0927 1.1581 1.2605 1.1127 0.8484 0.9907 1.1149 1.1215 1.1352 0.8679 0.9346 1.2823 0.9384 1.0100 1.1055 1.0937 0.5875 1.0304 1.2055 0.7928 1.0588 0.9958 0.6788 1.3315 0.8133 1.0566 0.9698 1.2018 1.2225 1.1052 1.0887 1.3290 0.9880 1.0155 0.9550 0.9363 1.0703 1.0327 0.7382 0.8817 0.8176 0.9176 1.0042 valylglycine 0.5690 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.5585 0.6367 0.5585 0.5585 0.9896 0.5585 1.2986 0.5585 1.4891 0.5585 0.5585 0.7546 0.9039 1.4431 1.0111 0.5585 0.5585 0.7007 0.8743 0.5585 0.5585 1.9075 0.6407 0.8812 0.7937 0.5585 1.6223 0.5585 0.8101 0.8399 1.2674 0.5585 0.5585 0.5585 0.5585 0.8216 0.5585 0.5585 0.5585 0.5585 1.2305 0.5585 0.5585 0.6483 0.5930 0.5585 1.0707 0.5585 0.5585 0.7986 0.5585 0.5585 0.5585 1.1769 0.5585 0.5585 0.5585 1.0294 0.9589 0.5585 1.6874 1.1441 0.5585 0.5705 1.7325 1.1698 0.5647 0.8773 1.7739 0.5585 1.0727 0.7787 1.4275 0.9183 1.4067 0.8962 0.8344 1.0000 0.5585 1.5138 1.4030 2.0443 0.9100 0.5585 0.5585 0.7474 0.5585 1.5073 1.2742 0.5585 0.9722 0.9537 0.7927 1.0667 1.1212 1.5311 1.2346 1.2816 1.5063 vanillactate 1.2947 1.6938 0.9891 0.9561 1.0157 1.1123 0.8501 0.5075 0.9625 1.3323 1.3223 1.4202 1.4403 1.6021 1.1973 1.2450 1.4755 1.2188 1.1144 5.5601 1.1048 0.9699 0.8341 0.9505 1.0319 1.1911 1.7329 0.8025 0.6667 1.0786 0.5343 1.3050 0.7814 3.8055 0.8901 0.7956 1.0572 1.4437 1.9317 0.5143 0.5715 0.9058 0.5308 0.8851 1.0342 0.9934 0.8074 1.3495 1.0081 1.5894 0.8904 1.2034 0.8481 0.7821 0.8979 0.6945 0.6845 1.2804 0.9983 1.8316 1.4554 0.9137 0.9440 0.5560 1.2878 1.0296 1.1903 1.1726 1.6161 1.0756 1.1865 0.4265 1.8227 0.4655 0.6361 0.4265 0.9127 1.4060 0.7770 0.6424 0.9012 0.4265 0.8265 1.2285 0.4935 0.8643 1.0675 0.5290 0.9413 1.3565 1.5283 0.8646 0.6375 0.8275 0.6929 0.9451 1.0251 0.9902 1.1143 1.2713 1.1717 0.6064 0.8036 0.7160 1.5985 1.0017 vanillic acid glycine 2.0649 0.5500 0.4202 1.4603 0.4115 0.4098 0.5987 0.5807 0.6825 3.9003 0.9923 1.8952 0.3949 2.0464 3.2153 0.4865 1.8112 1.5953 1.4490 2.6095 0.2551 1.0516 3.0510 2.1949 0.7511 1.9394 7.0561 1.7315 0.2551 0.8205 0.6630 1.4525 1.3733 3.1260 3.5059 0.4345 0.6578 2.8093 2.0891 0.2551 0.4100 0.3323 0.9056 0.2551 0.2551 1.6990 0.4364 4.8409 0.5019 1.0077 0.8066 0.8830 0.7741 0.7064 1.1309 1.8022 3.0379 2.5522 1.4771 3.6023 2.5661 1.5679 0.2551 0.6195 8.7804 0.8987 1.0621 0.2551 1.2381 1.6460 0.5113 0.2551 2.9322 0.2551 0.2551 0.9302 0.2551 0.2551 0.2551 0.7208 1.4747 0.9677 0.2551 0.6134 1.5448 0.6208 0.2551 0.2551 0.7032 0.7298 0.3962 0.7788 0.2551 0.2551 0.2661 0.2551 0.2551 0.4433 0.8903 1.2853 0.3819 0.2551 1.3425 0.5002 0.5352 3.9288 vanillylmandelate (VMA) 1.4315 2.4993 0.7616 0.6099 0.3868 0.9606 0.8151 0.5484 0.8334 1.8143 1.1614 1.1711 0.6755 1.3392 1.2496 1.5110 1.8026 1.2459 0.4508 1.3224 1.0185 0.9670 0.7273 1.2479 0.5676 1.3458 0.9480 0.6626 0.3677 1.0729 1.1089 1.1711 0.5041 2.6017 1.0033 0.3677 1.0818 1.6500 1.8780 0.6486 0.7335 0.8476 0.6535 0.5077 0.4202 0.6305 0.3677 1.5274 0.8685 1.7119 0.6456 0.3677 0.7731 0.6170 0.3677 0.8315 0.4046 1.5863 1.4304 0.7067 1.3602 0.4191 1.1311 0.3761 1.2466 1.0792 0.6863 1.6991 2.3977 1.0282 0.5965 1.1359 2.5683 0.5814 0.5739 0.9529 0.3677 1.6839 1.1380 0.5765 1.0179 1.4140 0.6833 1.0124 0.5525 0.9509 0.7363 0.7038 0.3677 1.5737 1.4588 0.6431 0.4170 0.3677 0.3677 0.7040 0.7559 1.0045 1.0384 1.4578 1.0572 0.9967 0.8655 1.9579 1.7343 1.5797 venlafaxine 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 verapamil 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 warfarin 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.8129 0.0008 1.5094 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 1.8611 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 1.0194 0.7669 0.0008 1.1188 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 1.2931 0.0008 0.7641 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.9806 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 0.0008 xanthine 1.0168 1.2307 0.6430 0.5012 1.6895 0.7226 0.4687 0.2914 0.6674 0.7384 0.5049 1.4806 0.4842 1.7158 0.9022 0.9853 6.3324 0.7654 0.7987 1.3068 0.8513 0.6857 0.8793 1.0484 0.8075 0.8197 0.8881 0.8861 0.2441 0.3721 0.4552 2.0166 0.7185 8.8671 0.6876 1.3744 0.3923 1.0081 0.6773 1.0999 1.1337 0.4918 1.4339 1.0613 0.6371 0.7529 1.0257 0.4860 1.0633 1.0424 1.6468 0.4693 0.5144 0.7610 0.9065 0.6101 1.0040 0.7095 1.6971 0.5860 0.8768 1.3344 1.0935 0.7891 1.1080 0.7163 1.3896 11.2286 2.2154 1.2570 1.5923 0.3039 1.8155 0.3988 1.3423 0.6494 1.1500 1.2711 0.9824 1.1786 0.7532 1.3304 1.1803 1.2229 1.0816 1.4158 1.2391 0.9009 0.8599 0.6244 1.3895 2.3388 2.0824 1.6792 1.2078 1.3684 0.9178 0.8857 1.1220 1.2552 0.9960 1.1648 1.3397 0.7561 1.1838 1.0961 xanthurenate 0.9697 0.7442 0.6549 0.6236 0.3642 0.8041 1.0972 0.7719 1.7602 0.2552 1.7567 0.7717 1.2154 0.2117 2.2664 0.3551 1.8961 0.7927 1.8587 1.4095 0.7329 0.7574 2.3307 0.7017 1.3474 1.5502 1.7811 1.2253 0.2117 1.9725 0.5722 2.3284 1.6595 1.9052 1.0712 0.2117 1.1215 1.0028 0.7509 1.2040 0.8525 0.6755 2.3095 0.4566 0.3266 1.6306 0.9972 2.0721 0.9820 1.5036 2.6410 1.7831 0.6735 3.9546 0.5404 1.5126 0.2941 3.3633 1.3715 1.9202 1.5762 1.6396 0.2691 1.7220 0.2931 1.1358 0.9731 1.9092 0.7067 2.8947 0.8876 0.6959 0.3653 0.2117 1.1345 0.2321 0.5360 0.5049 1.2169 0.2117 0.7913 0.6063 1.3144 0.7334 0.9543 0.5005 2.6144 0.4638 2.1390 0.2117 1.3731 0.9896 1.1618 0.2696 0.8870 1.4391 0.9718 1.2245 1.2455 1.1479 0.9156 0.2117 0.2432 0.6851 0.5502 1.3528 ximenoylcarnitine (C26:1)* 0.8781 0.4606 0.6251 0.5528 0.6870 1.5222 0.6343 0.3104 1.9616 0.5690 0.2953 1.0122 1.7558 0.5648 0.6761 0.4978 1.2573 0.6177 0.6281 1.5821 0.7617 0.8699 0.5528 1.3992 0.9974 0.3954 1.0371 0.9531 1.0459 0.9420 0.4243 0.8180 0.9225 1.9708 0.9647 0.4831 0.7739 0.9798 0.7219 1.5067 1.0842 0.5611 1.2100 0.9112 1.3566 0.7154 0.6510 0.7171 1.7345 1.0026 1.5619 1.1599 2.1176 0.8095 0.5252 1.3914 0.6326 1.5993 1.1764 0.8280 1.2415 0.9202 1.2508 1.1073 0.6752 1.1439 0.9009 0.8702 1.2504 0.8888 1.8283 2.3707 1.6715 1.1626 0.8952 1.6539 0.9290 0.9107 0.6101 1.3567 1.2724 1.2534 1.3949 0.7399 1.2380 1.0958 1.0839 1.2759 1.0644 2.3654 2.0774 1.0413 0.8133 0.8811 0.8778 0.8921 1.6091 1.6338 0.8024 1.7505 2.1341 1.5122 2.2180 1.2646 1.8229 1.6664 xylose 1.3875 1.2997 0.8666 4.0010 1.2748 0.5748 0.6990 0.7837 1.2874 1.0693 5.9468 1.2818 1.1441 0.3526 0.8463 1.0000 0.7616 1.1507 1.9335 0.1885 0.8733 0.9965 0.6513 1.2094 0.6956 0.9943 1.2493 1.0784 1.4716 0.8693 1.3464 1.0702 6.0531 1.5437 1.1029 0.3709 4.7540 0.1885 1.2231 0.7149 0.7257 1.3323 0.9354 0.8540 0.9499 1.7907 1.1879 1.2333 0.7366 0.7601 0.1885 1.2398 0.1885 1.0927 0.8309 0.6852 0.4585 1.1851 1.2659 2.1327 0.8205 0.8966 0.8939 0.1885 1.0463 0.4482 1.8806 1.1690 0.5081 0.9084 3.2730 0.4640 1.3851 0.8116 1.2290 0.6221 0.1885 1.1758 2.4474 0.7651 0.6568 1.2633 1.0010 1.1454 0.1885 0.3881 1.3855 0.9076 0.9682 2.9542 1.1000 1.1602 0.4953 0.7381 0.9070 1.0007 1.1722 0.6476 0.5121 0.8461 0.8404 0.6594 0.5241 0.6620 2.8619 0.1885 zolpidem 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 1.6841 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 0.3159 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID RI 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 (2-butoxyethoxy)acetic acid Xenobiotics Chemical 63380 LC/MS Pos Early 100021457 3177 177.11214 106312 95739 (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 1,2,3-benzenetriol sulfate (2) Xenobiotics Chemical 48762 LC/MS Neg 100006374 1709 204.98123 1,2-dilinoleoyl-GPC (18:2/18:2) Lipid Phosphatidylcholine (PC) 52603 LC/MS Pos Late 100008903 2006 782.56944 998-06-1 5288075 4450312 HMDB08138 1,2-dilinoleoyl-GPE (18:2/18:2)* Lipid Phosphatidylethanolamine (PE) 53174 LC/MS Pos Late 100009217 2083 740.52248 9546812 7825762 HMDB09093 1,2-dipalmitoyl-GPC (16:0/16:0) Lipid Phosphatidylcholine (PC) 19130 LC/MS Pos Late 100000657 2365 734.56944 63-89-8 452110 398235 HMDB00564 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 1,7-dimethylurate Xenobiotics Xanthine Metabolism 34400 LC/MS Neg 100001399 1578.6 195.05236 33868-03-0 91611 82720 C16356 HMDB11103 1-(1-enyl-oleoyl)-GPE (P-18:1)* Lipid Lysoplasmalogen 44621 LC/MS Neg 100005372 6250 462.29899 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* Lipid Plasmalogen 52689 LC/MS Pos Late 100009014 2154 766.57452 24767495 HMDB11220 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* Lipid Plasmalogen 52673 LC/MS Pos Late 100009002 2270 724.52757 24769238 HMDB11352 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* Lipid Plasmalogen 52682 LC/MS Pos Late 100009009 2226 742.57452 24767486 HMDB11211 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* Lipid Plasmalogen 52677 LC/MS Pos Late 100009069 2351 700.52757 24769229 HMDB11343 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* Lipid Plasmalogen 52478 LC/MS Pos Late 100009007 2443 744.59017 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* Lipid Plasmalogen 52477 LC/MS Pos Late 100009005 2600 702.54322 24769228 HMDB11342 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* Lipid Plasmalogen 52713 LC/MS Pos Late 100009160 2218 716.55887 24767482 HMDB11207 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* Lipid Plasmalogen 52716 LC/MS Pos Late 100009162 2454 718.57452 11146967 9322076 HMDB11206 1-(1-enyl-palmitoyl)-GPC (P-16:0)* Lipid Lysoplasmalogen 52474 LC/MS Neg 100002875 6450 554.34633 10917802 9093054 HMDB10407 1-(1-enyl-palmitoyl)-GPE (P-16:0)* Lipid Lysoplasmalogen 39270 LC/MS Pos Late 100003000 1558 438.2979 10471193 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* Lipid Plasmalogen 52475 LC/MS Pos Late 100008999 2511 752.55887 9547058 7826008 HMDB05779 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* Lipid Plasmalogen 52748 LC/MS Pos Late 100009225 2633 728.55887 24769261 HMDB11376 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) Lipid Plasmalogen 52614 LC/MS Pos Late 100008919 2950 730.57452 144371-68-6 24769260 HMDB11375 1-(1-enyl-stearoyl)-GPE (P-18:0)* Lipid Lysoplasmalogen 39271 LC/MS Neg 100003001 6500 464.31464 1-arachidonoyl-GPC (20:4n6)* Lipid Lysophospholipid 34061 LC/MS Neg 100001551 6074 618.34125 21403155 C05208 HMDB10395 1-arachidonoyl-GPE (20:4n6)* Lipid Lysophospholipid 35186 LC/MS Pos Late 100001571 1470 502.29282 42607465 21403171 HMDB11517 1-arachidonoyl-GPI (20:4)* Lipid Lysophospholipid 34214 LC/MS Neg 100001654 5482 619.28888 HMDB61690 1-arachidonylglycerol (20:4) Lipid Monoacylglycerol 34397 LC/MS Neg 100001433 6250 303.23293 35474-99-8 5282281 4445452 C13857 HMDB11549 1-carboxyethylisoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 62558 LC/MS Neg 100020427 2628 202.10848 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-carboxyethyltyrosine Amino Acid Tyrosine Metabolism 62564 LC/MS Neg 100020421 1846 252.08774 1-carboxyethylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 62562 LC/MS Neg 100020423 2008 188.09283 1-dihomo-linolenylglycerol (20:3) Lipid Monoacylglycerol 48341 LC/MS Neg 100006121 6400 305.24858 1-docosahexaenoylglycerol (22:6) Lipid Monoacylglycerol 35153 LC/MS Neg 100001481 6150 309.22236 10477810 HMDB11587 1-linolenoyl-GPC (18:3)* Lipid Lysophospholipid 45951 LC/MS Pos Late 100005350 1410 518.32412 HMDB10388 1-linolenoylglycerol (18:3) Lipid Monoacylglycerol 34393 LC/MS Neg 100001435 6214 277.21728 124151-74-2 53480978 21403134 HMDB11569 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* Lipid Phosphatidylcholine (PC) 53176 LC/MS Pos Late 100009343 1939 780.55378 24766802 HMDB08141 1-linoleoyl-GPA (18:2)* Lipid Lysophospholipid 52690 LC/MS Neg 100009082 5483 433.23606 24766514 HMDB07856 1-linoleoyl-GPC (18:2) Lipid Lysophospholipid 34419 LC/MS Pos Late 100001395 1465 520.33977 11988421 10160888 C04100 HMDB10386 1-linoleoyl-GPE (18:2)* Lipid Lysophospholipid 36600 LC/MS Pos Late 100001570 1482 478.29282 52925130 21403170 HMDB11507 1-linoleoyl-GPG (18:2)* Lipid Lysophospholipid 54885 LC/MS Neg 100009227 5516 507.27284 1-linoleoyl-GPI (18:2)* Lipid Lysophospholipid 36594 LC/MS Neg 100001778 5494 595.28888 1-linoleoylglycerol (18:2) Lipid Monoacylglycerol 27447 LC/MS Neg 100001040 6477 279.23293 2277-28-3 5283469 4446589 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 10129985 8305504 C02918 HMDB00699 1-methylurate Xenobiotics Xanthine Metabolism 34395 LC/MS Polar 100001400 1900 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-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* Lipid Phosphatidylcholine (PC) 53195 LC/MS Pos Late 100009139 1914 754.53813 24766559 HMDB07883 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) Lipid Phosphatidylcholine (PC) 19258 LC/MS Pos Late 100000672 2147 706.53813 69525-80-0 129657 114798 HMDB07869 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* Lipid Phosphatidylethanolamine (PE) 55041 LC/MS Pos Late 100009219 2200 766.53813 24768534 HMDB09069 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* Lipid Phosphatidylcholine (PC) 52697 LC/MS Pos Late 100009130 2011 832.58509 24766785 HMDB08123 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* Lipid Phosphatidylethanolamine (PE) 53209 LC/MS Pos Late 100009220 2119 790.53813 24768542 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* Lipid Phosphatidylethanolamine (PE) 52687 LC/MS Pos Late 100009078 2270 742.53813 9546753 7825703 HMDB05349 1-oleoyl-GPC (18:1) Lipid Lysophospholipid 48258 LC/MS Pos Late 100001272 1540 522.35542 19420-56-5 16081932 17240641 HMDB02815 1-oleoyl-GPE (18:1) Lipid Lysophospholipid 35628 LC/MS Pos Late 100001569 1554 480.30847 89576-29-4 9547071 7826021 HMDB11506 1-oleoyl-GPG (18:1)* Lipid Lysophospholipid 45968 LC/MS Neg 100005716 5610 509.28849 34999689 1-oleoyl-GPI (18:1) Lipid Lysophospholipid 36602 LC/MS Neg 100001777 5599 597.30453 1-oleoyl-GPS (18:1) Lipid Lysophospholipid 19260 LC/MS Pos Late 100000630 1555 524.2983 326589-90-6 9547099 7826049 HMDB61694 1-oleoylglycerol (18:1) Lipid Monoacylglycerol 21184 LC/MS Neg 100000924 6650 281.24858 111-03-5 5283468 4446588 HMDB11567 1-palmitoleoyl-GPC (16:1)* Lipid Lysophospholipid 33230 LC/MS Pos Late 100001511 1450 494.32412 24779461 21403152 HMDB10383 1-palmitoleoylglycerol (16:1)* Lipid Monoacylglycerol 52431 LC/MS Neg 100008952 6094 253.21727 HMDB11565 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) Lipid Phosphatidylcholine (PC) 52462 LC/MS Pos Late 100008914 2091 782.56944 35418-58-7 10747814 8923140 HMDB07982 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* Lipid Phosphatidylethanolamine (PE) 52464 LC/MS Pos Late 100008990 2198 740.52248 9546800 7825750 HMDB05323 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* Lipid Phosphatidylinositol (PI) 52467 LC/MS Pos Late 100008993 2567 876.55966 24767674 HMDB09789 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* Lipid Phosphatidylcholine (PC) 52454 LC/MS Pos Late 100008985 2199 784.58509 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) Lipid Phosphatidylcholine (PC) 52610 LC/MS Pos Late 100008915 2023 806.56944 59403-54-2 6441886 4946007 HMDB07991 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* Lipid Phosphatidylethanolamine (PE) 52465 LC/MS Pos Late 100008991 2119 764.52248 9546799 7825749 HMDB05324 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) Lipid Phosphatidylcholine (PC) 42446 LC/MS Pos Late 1537 2160 758.56944 40811-94-7 5287971 4450224 HMDB07973 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) Lipid Phosphatidylethanolamine (PE) 42449 LC/MS Pos Late 100001870 2275 716.52248 9546747 7825697 HMDB05322 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) Lipid Phosphatidylinositol (PI) 52450 LC/MS Pos Late 1528 2730 852.55966 21403024 HMDB09784 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) Lipid Phosphatidylcholine (PC) 52461 LC/MS Pos Late 1539 2358 760.58509 26853-31-6;26853-31-6 6436017 4940699 HMDB07972 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) Lipid Phosphatidylethanolamine (PE) 19263 LC/MS Pos Late 1526 2509 718.53813 26662-94-2 5283496 4446615 HMDB05320 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* Lipid Phosphatidylinositol (PI) 52669 LC/MS Pos Late 100009066 3140 854.57531 24767668 HMDB09783 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* Lipid Phosphatidylcholine (PC) 52470 LC/MS Pos Late 100008984 2160 732.55378 HMDB07969 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) Lipid Phosphatidylcholine (PC) 52616 LC/MS Pos Late 100008921 2653 762.60074 59403-51-9 24766643 HMDB07970 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* Lipid Phosphatidylethanolamine (PE) 57388 LC/MS Pos Late 100009205 2850 720.55378 5326793 4484107 HMDB08925 1-palmitoyl-GPA (16:0) Lipid Lysophospholipid 34428 LC/MS Neg 100001445 5600 409.23606 17618-08-5 6419701 4925335 C04036 HMDB00327 1-palmitoyl-GPC (16:0) Lipid Lysophospholipid 33955 LC/MS Pos Late 100001263 1525 496.33977 17364-16-8 86554 78064 HMDB10382 1-palmitoyl-GPE (16:0) Lipid Lysophospholipid 35631 LC/MS Pos Late 100001567 1544 454.29282 53862-35-4 9547069 7826019 HMDB11503 1-palmitoyl-GPG (16:0)* Lipid Lysophospholipid 45970 LC/MS Neg 100005717 5570 483.27284 3300276 2548639 1-palmitoyl-GPI (16:0) Lipid Lysophospholipid 35305 LC/MS Neg 100001655 5564 571.28888 HMDB61695 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-GPC (18:0/20:4) Lipid Phosphatidylcholine (PC) 42450 LC/MS Pos Late 100001869 2300 810.60074 35418-59-8 16219824 17347139 HMDB08048 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) Lipid Phosphatidylethanolamine (PE) 52447 LC/MS Pos Late 100008977 2424 768.55378 5289133 4451158 HMDB09003 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) Lipid Phosphatidylinositol (PI) 52449 LC/MS Pos Late 100000616 3000 904.59096 383907-33-3 21403055 HMDB09815 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-docosahexaenoyl-GPC (18:0/22:6) Lipid Phosphatidylcholine (PC) 52611 LC/MS Pos Late 100008916 2197 834.60128 59403-52-0 HMDB08057 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* Lipid Phosphatidylethanolamine (PE) 52466 LC/MS Pos Late 100008992 2317 792.55378 9546798 7825748 HMDB05334 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* Lipid Phosphatidylcholine (PC) 52452 LC/MS Pos Late 100008980 2380 786.60074 HMDB08039 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* Lipid Phosphatidylethanolamine (PE) 52446 LC/MS Pos Late 100008976 2522 744.55378 9546749 7825699 HMDB08994 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) Lipid Phosphatidylinositol (PI) 52468 LC/MS Pos Late 100008994 3185 880.59096 24767694 HMDB09809 1-stearoyl-2-oleoyl-GPC (18:0/18:1) Lipid Phosphatidylcholine (PC) 52438 LC/MS Pos Late 100008904 2644 788.61639 56421-10-4 24766704 HMDB08038 1-stearoyl-2-oleoyl-GPE (18:0/18:1) Lipid Phosphatidylethanolamine (PE) 42448 LC/MS Pos Late 100001856 2858 746.56944 HMDB08993 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* Lipid Phosphatidylinositol (PI) 52726 LC/MS Pos Late 100009181 3711 882.60661 1-stearoyl-2-oleoyl-GPS (18:0/18:1) Lipid Phosphatidylserine (PS) 19265 LC/MS Pos Late 100000639 3000 790.55926 9547087 7826037 HMDB10163 1-stearoyl-GPC (18:0) Lipid Lysophospholipid 33961 LC/MS Pos Late 100001271 1606 524.37107 19420-57-6 497299 435389 HMDB10384 1-stearoyl-GPE (18:0) Lipid Lysophospholipid 42398 LC/MS Pos Late 100001461 1626 482.32412 69747-55-3 9547068 7826018 HMDB11130 1-stearoyl-GPG (18:0) Lipid Lysophospholipid 34437 LC/MS Neg 100001462 5816 511.30414 21403138 1-stearoyl-GPI (18:0) Lipid Lysophospholipid 19324 LC/MS Neg 100000656 5794 599.32018 796963-93-4 21403067 HMDB61696 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 Pos Early 100020811 3602 325.10705 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 1H-indole-7-acetic acid Xenobiotics Bacterial/Fungal 57783 LC/MS Neg 100004601 2862 174.05605 39689-63-9 13535457 2'-deoxyuridine Nucleotide Pyrimidine Metabolism, Uracil containing 52602 LC/MS Neg 536 1586 227.0673 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'-O-methyluridine Nucleotide Pyrimidine Metabolism, Uracil containing 57655 LC/MS Neg 100010896 1831 257.07791 2140-76-3 102212 92343 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 2,6-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 Neg 100004227 3385 158.11865 644-90-6 69522 62727 HMDB00991 2-aminophenol sulfate Xenobiotics Chemical 43266 LC/MS Neg 100004322 1677 188.0023 181670 158022 HMDB61116 2-arachidonoylglycerol (20:4) Lipid Monoacylglycerol 19266 LC/MS Neg 100000584 6170 303.23293 53847-30-6 5282280 4445451 C13856 HMDB04666 2-ethylphenylsulfate Xenobiotics Benzoate Metabolism 36847 LC/MS Neg 100001809 3416 201.0227 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-hydroxyadipate Lipid Fatty Acid, Dicarboxylate 31934 LC/MS Polar 100001153 3000 161.04554 18294-85-4 193530 167943 C02360 HMDB00321 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 Pos Early 100002070 958 131.03389 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 Neg 100004169 3462 221.11831 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-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-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-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-linoleoylglycerol (18:2) Lipid Monoacylglycerol 32506 LC/MS Neg 100000987 6250 279.23293 3443-82-1 5365676 4517636 HMDB11538 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-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-naphthol sulfate Xenobiotics Chemical 62520 LC/MS Neg 100020515 3658 223.00705 74428 67020 2-oleoylglycerol (18:1) Lipid Monoacylglycerol 21232 LC/MS Neg 100000943 6500 281.24858 3443-84-3 5319879 4478086 HMDB11537 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-palmitoleoyl-GPC (16:1)* Lipid Lysophospholipid 47118 LC/MS Neg 100001561 5720 568.3256 21403164 HMDB10383 2-palmitoyl-GPC (16:0)* Lipid Lysophospholipid 35253 LC/MS Neg 100001562 6215 570.34125 15061532 21403165 HMDB61702 2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.07569 675-20-7 12665 12144 HMDB11749 2-stearoyl-GPE (18:0)* Lipid Lysophospholipid 41220 LC/MS Neg 100003901 6350 480.30956 24769218 HMDB11129 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 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 Neg 100021324 4412 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-(3-hydroxyphenyl)propionate sulfate Xenobiotics Benzoate Metabolism 45415 LC/MS Neg 100005391 1294 245.01253 86321-32-6 187488 162993 3-(4-hydroxyphenyl)lactate Amino Acid Tyrosine Metabolism 32197 LC/MS Neg 240 1379 181.05063 6482-98-0 9378 9010 C03672 HMDB00755 3-(cystein-S-yl)acetaminophen* Xenobiotics Drug - Analgesics, Anesthetics 34365 LC/MS Pos Early 100001797 2420 271.07471 5233914 4403253 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-acetylphenol sulfate Xenobiotics Chemical 48693 LC/MS Neg 100004326 2477 215.00196 16230535 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-decenoylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 63361 LC/MS Pos Late 100021136 1045 314.23259 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 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 Pos Early 100020211 978 162.07608 3-hydroxycotinine glucuronide Xenobiotics Tobacco Metabolite 43470 LC/MS Neg 100004494 1745 367.11469 132929-88-5 183115 159230 HMDB01204 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-hydroxyhippurate sulfate Xenobiotics Benzoate Metabolism 62530 LC/MS Neg 100020410 1047 274.00269 186339 161984 3-hydroxyindolin-2-one sulfate Xenobiotics Food Component/Plant 48419 LC/MS Neg 100006103 2082 227.99721 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-hydroxyoleoylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 61840 LC/MS Pos Late 100019801 1406 442.3527 48061587 3-hydroxyphenylacetoylglutamine Peptide Acetylated Peptides 62733 LC/MS Neg 100019831 1825 279.09864 38532062 3-hydroxypyridine glucuronide Xenobiotics Chemical 63236 LC/MS Pos Early 100020591 1657 272.07648 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-indoleglyoxylic acid Xenobiotics Food Component/Plant 63583 LC/MS Neg 100020372 2140 188.03531 1477-49-2 73863 66497 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-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 catechol sulfate (2) Xenobiotics Benzoate Metabolism 46164 LC/MS Neg 100004110 2860 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-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 Pos Early 100001108 1415 167.05636 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-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-hydroxy-5-cholestenoate Lipid Sterol 54805 LC/MS Neg 100006370 5398 415.32177 6561-58-6 165511 C17333 4-acetamidobutanoate Amino Acid Polyamine Metabolism 1558 LC/MS Neg 1113 894 144.06661 3025-96-5 18189 17180 C02946 HMDB03681 4-acetamidophenol Xenobiotics Drug - Analgesics, Anesthetics 12032 LC/MS Pos Early 1383 1670 152.07061 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 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-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-imidazoleacetate Amino Acid Histidine Metabolism 32349 LC/MS Pos Early 100001207 2055 127.05021 645-65-8 96215 86856 C02835 HMDB02024 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-methylbenzenesulfonate Xenobiotics Chemical 43592 LC/MS Neg 100002390 2350 171.01213 104-15-4 6101 5876 C06677 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-methylhexanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 62735 LC/MS Neg 100020631 3390 257.15068 4-vinylguaiacol sulfate Xenobiotics Food Component/Plant 48442 LC/MS Neg 100006126 3354 229.01761 4-vinylphenol sulfate Xenobiotics Benzoate Metabolism 36098 LC/MS Neg 100001755 3320 199.00705 2628-17-3 6426766 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-dihydrouracil Nucleotide Pyrimidine Metabolism, Uracil containing 1559 LC/MS Neg 1125 1120 113.03565 504-07-4 649 629 C00429 HMDB00076 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 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-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 31938 LC/MS Neg 100001148 1267 131.07136 44843-89-2 170748 149280 HMDB00525 5-hydroxyindole sulfate Amino Acid Tryptophan Metabolism 52914 LC/MS Neg 100009042 1928 212.0023 5-hydroxyindoleacetate Amino Acid Tryptophan Metabolism 437 LC/MS Pos Early 71 1893 192.06552 54-16-0 1826 1760 C05635 HMDB00763 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,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 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 6-oxopiperidine-2-carboxylate Amino Acid Lysine Metabolism 43231 LC/MS Polar 100004499 1692 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-hydroxywarfarin Xenobiotics Drug - Cardiovascular 62972 LC/MS Neg 100020813 3300 323.09249 20129467 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 acesulfame Xenobiotics Food Component/Plant 48569 LC/MS Polar 100006203 756 161.98665 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 Neg 100000802 946.4 202.10848 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 Nucleotide Purine Metabolism, Adenine containing 555 LC/MS Neg 798 2075.4 134.0472 58-61-7 60961 54923 C00212 HMDB00050 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 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 Neg 100002454 1660 267.07349 16220-07-8 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 46537 LC/MS Polar 100001300 1052 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 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 anthranilate Amino Acid Tryptophan Metabolism 57746 LC/MS Pos Early 1258 2606 120.0444 118-92-3 227 222 C00108 HMDB01123 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 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 Neg 100020409 621 254.98136 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 Neg 2029 1276 187.09758 123-99-9 2266 2179 C08261 HMDB00784 behenoyl dihydrosphingomyelin (d18:0/22:0)* Lipid Dihydrosphingomyelins 57331 LC/MS Pos Late 100009026 3150 789.68441 24846880 HMDB12091 behenoyl sphingomyelin (d18:1/22:0)* Lipid Sphingomyelins 48492 LC/MS Pos Late 100006294 3083 787.66876 24846873 HMDB12103 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 benzoylcarnitine* Xenobiotics Chemical 43265 LC/MS Pos Early 100004555 3041 266.13869 105450-08-6 28689447 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 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 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 campesterol Lipid Sterol 33997 LC/MS Pos Late 100001269 2873 383.36724 474-62-4 173183 151215 C01789 HMDB02869 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 ceramide (d16:1/24:1, d18:1/22:1)* Lipid Ceramides 57437 LC/MS Pos Late 100015727 3850 620.59763 ceramide (d18:1/14:0, d16:1/16:0)* Lipid Ceramides 57432 LC/MS Pos Late 100015735 2477 510.48808 ceramide (d18:1/17:0, d17:1/18:0)* Lipid Ceramides 57434 LC/MS Pos Late 100015737 3055 552.53505 ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* Lipid Ceramides 57440 LC/MS Pos Late 100015755 3920 594.58199 ceramide (d18:2/24:1, d18:1/24:2)* Lipid Ceramides 57443 LC/MS Pos Late 100015744 3858 646.6133 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 chenodeoxycholic acid sulfate (1) Lipid Primary Bile Acid Metabolism 63607 LC/MS Neg 100021650 4531 235.11746 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 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 cis-urocanate Amino Acid Histidine Metabolism 40410 LC/MS Pos Early 100003425 2406 139.05021 7699-35-6 1549103 1266070 HMDB34174 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 citramalate Amino Acid Glutamate Metabolism 22158 LC/MS Pos Early 100000998 1224 166.071 10/8/6236 1081 1051 C00815 HMDB00426 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 cotinine N-oxide Xenobiotics Tobacco Metabolite 38662 LC/MS Pos Early 100002719 1377 193.09716 36508-80-2 9815514 7991264 HMDB01411 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 Pos Early 100000808 565 201.98384 1637-71-4 115015 102939 C05824 HMDB00731 cysteine sulfinic acid Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 37443 LC/MS Pos Early 100002113 597 154.01686 207121-48-0 109 107 C00606 HMDB00996 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 Pos Early 827 2124 244.0928 65-46-3 6175 5940 C00475 HMDB00089 cytosine Nucleotide Pyrimidine Metabolism, Cytidine containing 573 LC/MS Pos Early 881 2060 112.05054 71-30-7 597 577 C00380 HMDB00630 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 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 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 dexlansoprazole Xenobiotics Drug - Gastrointestinal 57668 LC/MS Pos Late 100015794 827 370.08316 138530-94-6 9578005 7852369 D08903 diacylglycerol (14:0/18:1, 16:0/16:1) [1]* Lipid Diacylglycerol 54953 LC/MS Pos Late 100010934 3057 584.52486 diacylglycerol (14:0/18:1, 16:0/16:1) [2]* Lipid Diacylglycerol 54954 LC/MS Pos Late 100010935 3183 584.52486 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* Lipid Diacylglycerol 54966 LC/MS Pos Late 100010940 2733 608.52486 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 dihydroferulic acid sulfate Xenobiotics Food Component/Plant 62857 LC/MS Polar 100020272 1520 275.02309 187489 162994 HMDB41724 dihydroorotate Nucleotide Pyrimidine Metabolism, Orotate containing 601 LC/MS Polar 923 1910 157.02548 155-54-4 648 628 C00337 HMDB03349 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 dimethylguanidino valeric acid (DMGV)* Amino Acid Urea cycle; Arginine and Proline Metabolism 62783 LC/MS Pos Early 100020866 1891 202.11862 58779677 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 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 docosapentaenoylcarnitine (C22:5n3)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57529 LC/MS Pos Late 100015851 1387 474.35777 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 docosatrienoate (22:3n6)* Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 57467 LC/MS Neg 100015762 5850 333.27989 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 dopamine 4-sulfate Amino Acid Tyrosine Metabolism 48406 LC/MS Neg 100006360 1511 232.02848 123932 110461 C13691 HMDB04148 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 eicosapentaenoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53258 LC/MS Pos Late 100009336 1343 388.32101 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 enalapril Xenobiotics Drug - Cardiovascular 52949 LC/MS Pos Late 100008948 900 377.2071 75847-73-3 3222 3109 enalaprilat* Xenobiotics Drug - Cardiovascular 62482 LC/MS Pos Early 100020800 3149 349.1758 5462501 4575429 C11720 HMDB41886 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 Pos Early 100015965 1248 226.12852 34625-23-5 428040 378664 ethyl glucuronide Xenobiotics Chemical 39603 LC/MS Pos Early 100002849 1181 240.10778 17685-04-0 152226 134174 HMDB10325 ethylmalonate Amino Acid Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 2054 2785 131.03498 601-75-2 11756 11263 HMDB00622 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 ferulic acid 4-sulfate Xenobiotics Food Component/Plant 47114 LC/MS Polar 100005389 1255 273.00744 86321-29-1 6305574 4878542 HMDB29200 fexofenadine Xenobiotics Drug - Respiratory 42021 LC/MS Pos Late 100004018 944 502.29519 83799-24-0 3348 3231 C06999 HMDB05030 Fibrinopeptide A, des-ala(1)* Peptide Fibrinogen Cleavage Peptide 31548 LC/MS Neg 100001323 2535 731.31677 21403111 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 furosemide Xenobiotics Drug - Cardiovascular 43009 LC/MS Neg 100004241 3515 329.00044 54-31-9 3440 3322 D00331 HMDB01933 galactonate Carbohydrate Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 100001026 3085 195.05102 299-28-5 128869 114198 C00880 HMDB00565 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-glutamylalanine Peptide Gamma-glutamyl Amino Acid 37063 LC/MS Pos Early 100001843 1986 219.09755 5875-41-2 440103 389104 HMDB29142 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 Polar 1140 3720 274.10446 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 Neg 100000491 1825 293.11429 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 gentisate Amino Acid Tyrosine Metabolism 18280 LC/MS Polar 100000447 905 153.01933 490-79-9 3469 3350 C00628 HMDB00152 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 (3)* Xenobiotics Food Component/Plant 62290 LC/MS Neg 100020491 3951 462.17696 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 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 glycerophosphoinositol* Lipid Phospholipid Metabolism 52307 LC/MS Pos Early 100001621 516 335.07378 16824-65-0 167572 glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Polar 100000269 3003.1 302.10102 28319-77-9 71920 571409 C00670 HMDB00086 glycerophosphoserine* Lipid Phospholipid Metabolism 57404 LC/MS Pos Early 100015666 577 260.05298 3081457 2339060 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 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 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 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* Lipid Hexosylceramides (HCER) 57457 LC/MS Pos Late 100015730 3373 782.65045 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* Lipid Hexosylceramides (HCER) 57595 LC/MS Pos Late 100015882 3414 756.6348 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* Lipid Hexosylceramides (HCER) 57448 LC/MS Pos Late 100015751 3667 796.66609 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* Lipid Hexosylceramides (HCER) 57453 LC/MS Pos Late 100015745 3380 808.66609 glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* Lipid Hexosylceramides (HCER) 57444 LC/MS Pos Late 100015752 3839 826.67665 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* Lipid Hexosylceramides (HCER) 57421 LC/MS Pos Late 100015625 3420 782.65045 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Hexosylceramides (HCER) 53013 LC/MS Pos Late 100009272 2623 700.5722 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) Lipid Hexosylceramides (HCER) 52234 LC/MS Pos Late 100001882 3053 728.6035 glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)* Lipid Hexosylceramides (HCER) 57445 LC/MS Pos Late 100015748 3724 796.6661 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 glycyrrhetinate Xenobiotics Food Component/Plant 39789 LC/MS Pos Late 100002856 1494 471.34689 471-53-4 18526330 17930566 C02283 HMDB11628 guaiacol sulfate Xenobiotics Benzoate Metabolism 46111 LC/MS Neg 100004208 2344 203.00196 22473 21078 HMDB60013 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Polar 344 2884 116.04655 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 guanine Nucleotide Purine Metabolism, Guanine containing 32352 LC/MS Pos Early 172 2032 152.05669 73-40-5 764 744 C00242 HMDB00132 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 heneicosapentaenoate (21:5n3) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 57658 LC/MS Neg 100015797 5514 315.23295 24257-10-1 11998573 10171040 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 Late 100000781 800 260.18564 6920-35-0 6426853 4932273 HMDB00705 hexanoylglutamine Lipid Fatty Acid Metabolism (Acyl Glutamine) 54907 LC/MS Neg 100001733 2780 243.13503 hexanoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 35436 LC/MS Neg 100001527 2900 172.09791 24003-67-6 99463 89859 HMDB00701 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 Neg 100000963 789 188.10406 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 homovanillate (HVA) Amino Acid Tyrosine Metabolism 1101 LC/MS Neg 117 1649 181.05063 306-08-1 1738 5323114 C05582 HMDB00118 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 hydroxycotinine Xenobiotics Tobacco Metabolite 38661 LC/MS Pos Early 100002717 2030 193.09716 34834-67-8 10219774 8395266 HMDB01390 hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))** Lipid Sphingomyelins 62851 LC/MS Pos Late 100021000 2056 719.56978 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 Polar 358 2763.4 108.01247 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 440129 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 indole-3-carboxylate Amino Acid Tryptophan Metabolism 38116 LC/MS Neg 100002185 1710 160.0404 771-50-6 69867 C19837 HMDB03320 indoleacetate Amino Acid Tryptophan Metabolism 27513 LC/MS Neg 100001034 2200 174.05605 6505-45-9 802 780 C00954 HMDB00197 indoleacetoylcarnitine* Amino Acid Tryptophan Metabolism 62279 LC/MS Pos Early 100020479 3114 319.16524 indoleacetylglutamine Amino Acid Tryptophan Metabolism 42087 LC/MS Neg 100001731 2535 302.11463 25200879 HMDB13240 indolebutyrate Amino Acid Tryptophan Metabolism 34402 LC/MS Neg 100001404 3308 202.08735 133-32-4 8617 8298 C11284 HMDB02096 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 Neg 100001083 2795 188.0717 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 isoleucylglycine Peptide Dipeptide 40008 LC/MS Neg 100003169 1992 187.10881 868-28-0 342532 303621 HMDB28907 isoursodeoxycholate Lipid Secondary Bile Acid Metabolism 57577 LC/MS Neg 100002488 4809 391.28538 78919-26-3 127601 113205 C17662 HMDB00686 isoursodeoxycholate sulfate (1) Lipid Secondary Bile Acid Metabolism 63602 LC/MS Neg 100021647 4082 235.11746 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 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 L-urobilin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 40173 LC/MS Pos Late 100002568 901 595.34902 34217-90-8 5280818 4444369 C05793 HMDB04159 lactate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Polar 482 1468.8 89.02442 79-33-4 612 592 C00186 HMDB00190 lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* Lipid Lactosylceramides (LCER) 57422 LC/MS Pos Late 100015623 3842 946.71892 24846893 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* Lipid Lactosylceramides (LCER) 57370 LC/MS Pos Late 100015620 3778 972.73457 24846896 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Lactosylceramides (LCER) 53010 LC/MS Pos Late 100009030 2527 862.62502 4201-62-1 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 6106 5880 C00123 HMDB00687 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 lignoceroyl sphingomyelin (d18:1/24:0) Lipid Sphingomyelins 57330 LC/MS Pos Late 100006298 3437 815.70006 60037-60-7 24846875 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 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* Lipid Diacylglycerol 54955 LC/MS Pos Late 100010922 2590 658.54051 HMDB07257 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* Lipid Diacylglycerol 54956 LC/MS Pos Late 100010923 2650 658.54051 HMDB07257 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* Lipid Diacylglycerol 54949 LC/MS Pos Late 100010928 2450 682.54051 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* Lipid Diacylglycerol 54963 LC/MS Pos Late 100010926 2426 632.52486 HMDB07249 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* Lipid Diacylglycerol 54964 LC/MS Pos Late 100010927 2478 632.52486 HMDB07250 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* Lipid Diacylglycerol 54968 LC/MS Pos Late 100010941 2720 634.54051 HMDB07248 linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* Lipid Diacylglycerol 54969 LC/MS Pos Late 100010942 2790 634.54051 HMDB07248 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 lithocholic acid sulfate (2) Lipid Secondary Bile Acid Metabolism 62527 LC/MS Neg 100020824 5028 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 malonylcarnitine Lipid Fatty Acid Synthesis 37059 LC/MS Pos Early 100001526 2086 248.11287 853728-01-5 22833583 21403153 HMDB02095 maltose Carbohydrate Glycogen Metabolism 15586 LC/MS Neg 913 765 341.10894 6363-53-7 10991489 388469 C00208 HMDB00163 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 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 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 myristoyl dihydrosphingomyelin (d18:0/14:0)* Lipid Dihydrosphingomyelins 57365 LC/MS Pos Late 100009038 2060 677.5592 24846886 HMDB12085 myristoyl-linoleoyl-glycerol (14:0/18:2) [1]* Lipid Diacylglycerol 57407 LC/MS Pos Late 100015683 2679 582.50921 myristoyl-linoleoyl-glycerol (14:0/18:2) [2]* Lipid Diacylglycerol 57408 LC/MS Pos Late 100015684 2720 582.50921 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-dimethyl-5-aminovalerate Amino Acid Lysine Metabolism 62819 LC/MS Pos Early 100020842 2290 146.11756 N,N-dimethylalanine Amino Acid Alanine and Aspartate Metabolism 63151 LC/MS Pos Early 100020371 1370 118.08626 2812-31-9 5488191 4589713 N,O-didesmethylvenlafaxine glucuronide Xenobiotics Drug - Psychoactive 52358 LC/MS Pos Early 100006001 2902 426.21225 1021933-99-2 HMDB61167 N-(2-furoyl)glycine Xenobiotics Food Component/Plant 31536 LC/MS Polar 100001086 1230 168.03023 5657-19-2;5657-19-2 21863 20549 HMDB00439 N-acetyl sulfapyridine Xenobiotics Drug - Antibiotic 48680 LC/MS Pos Early 100006229 2146 292.07504 19077-98-6 58638 52841 N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Pos Early 100004299 2100 212.1028 193270 N-acetyl-2-aminooctanoate* Lipid Fatty Acid, Amino 62059 LC/MS Neg 100020204 3943 200.12921 95555 86248 HMDB59745 N-acetyl-3-methylhistidine* Amino Acid Histidine Metabolism 43256 LC/MS Pos Early 100002204 2056 212.10297 37841-04-6 193270 19993498 N-acetyl-aspartyl-glutamate (NAAG) Amino Acid Glutamate Metabolism 35665 LC/MS Polar 100001612 3900 303.08339 3106-85-2 5255 5065 C12270 HMDB01067 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 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-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 Pos Early 100004046 2141 269.12444 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 Polar 100006435 1897 220.08264 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 Neg 100001253 771 187.07243 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 Polar 100001293 2088 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-acetylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 34387 LC/MS Pos Early 100001334 1695 158.08117 1074-79-9 322640 285677 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 Polar 100005466 1249 166.01795 159864 140553 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-behenoyl-sphingadienine (d18:2/22:0)* Lipid Ceramides 57372 LC/MS Pos Late 100015624 3911 620.59763 N-carbamoylalanine Amino Acid Alanine and Aspartate Metabolism 52340 LC/MS Pos Early 100006369 950 133.06077 77340-50-2 426409 377278 N-carbamoylaspartate Nucleotide Pyrimidine Metabolism, Orotate containing 1594 LC/MS Polar 1108 3800 175.03604 923-37-5 93072 4573859 C00438 HMDB00828 N-carbamoylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 62852 LC/MS Neg 100020351 1270 159.07751 26081-00-5 5151292 4324497 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 Polar 100004561 900 164.03531 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-formylphenylalanine Amino Acid Tyrosine Metabolism 48433 LC/MS Neg 100006056 2360 192.06661 13200-85-6 759256 663938 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-palmitoyl-heptadecasphingosine (d17:1/16:0)* Lipid Ceramides 57430 LC/MS Pos Late 100015731 2645 524.50374 N-palmitoyl-sphingadienine (d18:2/16:0)* Lipid Ceramides 57416 LC/MS Pos Late 100015609 2490 536.50372 N-palmitoyl-sphinganine (d18:0/16:0) Lipid Dihydroceramides 52604 LC/MS Pos Late 100009028 3090 540.53503 5966-29-0 5283572 4446685 HMDB11760 N-palmitoyl-sphingosine (d18:1/16:0) Lipid Ceramides 44877 LC/MS Pos Late 1518 2893 538.51937 24696-26-2 5283564 4446677 HMDB04949 N-palmitoylglycine Lipid Fatty Acid Metabolism (Acyl Glycine) 42092 LC/MS Neg 100003686 5580 312.25441 2441-41-0 151008 133100 HMDB13034 N-stearoyl-sphingadienine (d18:2/18:0)* Lipid Ceramides 57417 LC/MS Pos Late 100015632 2846 564.53503 N-stearoyl-sphinganine (d18:0/18:0)* Lipid Dihydroceramides 1759 LC/MS Pos Late 922 3526 568.56632 2304-80-5 5283573 4446686 N-stearoyl-sphingosine (d18:1/18:0)* Lipid Ceramides 54979 LC/MS Pos Late 1547 3392 566.55067 104404-17-3 5283565 4446678 HMDB04950 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-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 10398396 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-methylguanosine Nucleotide Purine Metabolism, Guanine containing 35133 LC/MS Neg 100001467 1988 296.10004 2140-77-4 3035422 2299669 HMDB05862 N4-acetylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35130 LC/MS Neg 100001413 2040 284.08881 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-carboxymethyllysine Carbohydrate Advanced Glycation End-product 36713 LC/MS Pos Early 100001768 2500 205.11829 4/3/5746 123800 11217184 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 nervonate (24:1n9)* Lipid Long Chain Monounsaturated Fatty Acid 52674 LC/MS Neg 100001231 6804 365.3425 506-37-6 5281120 4444565 C08323 HMDB02368 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 norcotinine Xenobiotics Tobacco Metabolite 57782 LC/MS Pos Early 100002715 2156 163.08659 17114-40-8 413 400 HMDB01297 norfluoxetine Xenobiotics Drug - Psychoactive 37252 LC/MS Pos Late 100003769 1008 296.12568 83891-03-6 4541 4382 HMDB60551 o-cresol sulfate Xenobiotics Benzoate Metabolism 36845 LC/MS Neg 100001806 2796 187.00705 11615528 9790277 O-desmethyltramadol Xenobiotics Drug - Analgesics, Anesthetics 53239 LC/MS Pos Early 100006382 3045 250.18016 73986-53-5 130829 115703 HMDB60997 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 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 oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* Lipid Diacylglycerol 54960 LC/MS Pos Late 100010936 2907 660.55616 HMDB07228 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* Lipid Diacylglycerol 54961 LC/MS Pos Late 100010937 2990 660.55616 HMDB07228 oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* Lipid Diacylglycerol 54970 LC/MS Pos Late 100010944 2819 634.54051 HMDB07220 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] Lipid Diacylglycerol 46798 LC/MS Pos Late 100002989 3115 636.55616 106292-55-1 23975985 HMDB07219 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] Lipid Diacylglycerol 46799 LC/MS Pos Late 100002990 3223 636.55616 104346-53-4 29788004 HMDB07219 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* Lipid Diacylglycerol 54945 LC/MS Pos Late 100010918 3571 638.57181 HMDB07218 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* Lipid Diacylglycerol 54946 LC/MS Pos Late 100010919 3695 638.57181 HMDB07218 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 palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* Lipid Diacylglycerol 57406 LC/MS Pos Late 100015681 2528 632.52486 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* Lipid Diacylglycerol 54967 LC/MS Pos Late 100010930 2664 608.52486 HMDB07132 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [1]* Lipid Diacylglycerol 52632 LC/MS Pos Late 100009053 3035 610.54051 9543694 7822644 HMDB07131 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* Lipid Diacylglycerol 52631 LC/MS Pos Late 100009054 3154 610.54051 palmitoleoylcarnitine (C16:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 53223 LC/MS Pos Late 100009406 1357 398.32649 71464547 28639183 palmitoyl dihydrosphingomyelin (d18:0/16:0)* Lipid Dihydrosphingomyelins 52434 LC/MS Pos Late 100008954 2290 705.5905 9939965 8115586 palmitoyl sphingomyelin (d18:1/16:0) Lipid Sphingomyelins 37506 LC/MS Pos Late 100002107 2168 703.57485 6254-89-3 9939941 8115562 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* Lipid Diacylglycerol 54957 LC/MS Pos Late 100010924 2916 634.54051 HMDB07112 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* Lipid Diacylglycerol 54958 LC/MS Pos Late 100010925 3015 634.54051 HMDB07112 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* Lipid Diacylglycerol 57373 LC/MS Pos Late 100015618 2749 658.54051 HMDB07121 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* Lipid Diacylglycerol 52633 LC/MS Pos Late 100009052 3080 610.54051 9543695 7822645 HMDB07103 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* Lipid Diacylglycerol 52634 LC/MS Pos Late 100009055 3197 610.54051 HMDB07103 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* Lipid Diacylglycerol 54943 LC/MS Pos Late 100010916 3562 612.55616 C13861 HMDB07102 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* Lipid Diacylglycerol 54942 LC/MS Pos Late 100010917 3695 612.55616 C13861 HMDB07102 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 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 phenylacetate Amino Acid Phenylalanine Metabolism 57745 LC/MS Neg 100000011 2150 91.05535 103-82-2 999 10181341 C07086 HMDB00209 phenylacetylcarnitine Peptide Acetylated Peptides 48425 LC/MS Pos Early 100006108 3092 280.15434 287108-21-8 101724840 phenylacetylglutamate Peptide Acetylated Peptides 52925 LC/MS Neg 100009045 1570 264.08774 11579826 9754592 HMDB59772 phenylacetylglutamine Peptide Acetylated Peptides 35126 LC/MS Neg 100001417 2330 263.10373 28047-15-6 92258 270643 C04148 HMDB06344 phenylacetylglycine Peptide Acetylated Peptides 33945 LC/MS Neg 100001275 2375 192.06661 500-98-1 68144 61452 C05598 HMDB00821 phenylalanine Amino Acid Phenylalanine Metabolism 64 LC/MS Pos Early 460 2878 166.08626 63-91-2 6140 5910 C00079 HMDB00159 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 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 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 53224 LC/MS Pos Early 100009407 2773 304.17547 pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.08626 4043-87-2 849 826 C00408 HMDB00070 piperine Xenobiotics Food Component/Plant 33935 LC/MS Pos Late 100001267 1168 286.14377 94-62-2 638024 553590 C03882 HMDB29377 pregabalin Xenobiotics Drug - Neurological 52913 LC/MS Pos Early 100008943 3123 160.13321 148553-50-8 4715169 3902475 pregnanediol-3-glucuronide Lipid Progestin Steroids 40708 LC/MS Neg 100003470 5145 495.29634 1852-49-9 123796 110346 HMDB10318 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 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 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 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 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 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-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 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 sphingomyelin (d17:1/14:0, d16:1/15:0)* Lipid Sphingomyelins 62152 LC/MS Pos Late 100020276 1950 661.52791 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* Lipid Sphingomyelins 52433 LC/MS Pos Late 100006314 2082 689.5592 121999-58-4 28532779 sphingomyelin (d17:2/16:0, d18:2/15:0)* Lipid Sphingomyelins 57483 LC/MS Pos Late 100015793 1837 687.54355 sphingomyelin (d18:0/18:0, d19:0/17:0)* Lipid Dihydrosphingomyelins 57473 LC/MS Pos Late 100009027 2362 733.6218 24846878 HMDB12087 sphingomyelin (d18:0/20:0, d16:0/22:0)* Lipid Dihydrosphingomyelins 57476 LC/MS Pos Late 100015786 2600 761.65311 sphingomyelin (d18:1/14:0, d16:1/16:0)* Lipid Sphingomyelins 42463 LC/MS Pos Late 100004328 1998 675.54355 11433862 9608732 HMDB12097 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) Lipid Sphingomyelins 52615 LC/MS Pos Late 100008920 2312 717.5905 121999-64-2 sphingomyelin (d18:1/18:1, d18:2/18:0) Lipid Sphingomyelins 37529 LC/MS Pos Late 100002106 2167 729.5905 108392-10-5 6443882 4947837 HMDB12101 sphingomyelin (d18:1/19:0, d19:1/18:0)* Lipid Sphingomyelins 57475 LC/MS Pos Late 100015787 2330 745.62178 sphingomyelin (d18:1/20:0, d16:1/22:0)* Lipid Sphingomyelins 48490 LC/MS Pos Late 100006290 2685 759.6375 23113477 HMDB12102 sphingomyelin (d18:1/20:1, d18:2/20:0)* Lipid Sphingomyelins 48491 LC/MS Pos Late 100006292 2383 757.6218 222403-67-0 sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* Lipid Sphingomyelins 57481 LC/MS Pos Late 100006293 2039 755.60615 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* Lipid Sphingomyelins 52495 LC/MS Pos Late 100009025 2793 773.65311 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* Lipid Sphingomyelins 48493 LC/MS Pos Late 100006295 2666 785.65311 29368329 HMDB12104 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* Lipid Sphingomyelins 57477 LC/MS Pos Late 100006296 2209 783.63746 sphingomyelin (d18:1/24:1, d18:2/24:0)* Lipid Sphingomyelins 47153 LC/MS Pos Late 100005986 3033 813.68441 94359-13-4 24846874 HMDB12107 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* Lipid Sphingomyelins 57478 LC/MS Pos Late 100015792 3500 829.71571 24846885 sphingomyelin (d18:2/14:0, d18:1/14:1)* Lipid Sphingomyelins 47154 LC/MS Pos Late 100005985 1860 673.5279 sphingomyelin (d18:2/16:0, d18:1/16:1)* Lipid Sphingomyelins 42459 LC/MS Pos Late 100004329 2002 701.5592 sphingomyelin (d18:2/18:1)* Lipid Sphingomyelins 57474 LC/MS Pos Late 100015788 1904 727.57485 sphingomyelin (d18:2/21:0, d16:2/23:0)* Lipid Sphingomyelins 57480 LC/MS Pos Late 100015790 2330 771.63748 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* Lipid Sphingomyelins 52435 LC/MS Pos Late 100008956 2845 799.66868 sphingomyelin (d18:2/23:1)* Lipid Sphingomyelins 57482 LC/MS Pos Late 100015791 2315 797.65308 sphingomyelin (d18:2/24:1, d18:1/24:2)* Lipid Sphingomyelins 52437 LC/MS Pos Late 100008957 2635 811.66868 sphingomyelin (d18:2/24:2)* Lipid Sphingomyelins 57479 LC/MS Pos Late 100015789 2215 809.65308 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 sphingomyelin (d18:1/18:0) Lipid Sphingomyelins 19503 LC/MS Pos Late 1538 2400 731.60615 85187-10-6;85187-10-6 6453725 4956085 C00550 HMDB01348 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* Lipid Diacylglycerol 57450 LC/MS Pos Late 100010949 3404 662.57181 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* Lipid Diacylglycerol 57449 LC/MS Pos Late 100010950 3522 662.57181 stearoylcarnitine (C18) Lipid Fatty Acid Metabolism (Acyl Carnitine, 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 succinate Energy TCA Cycle 1437 LC/MS Polar 252 3149 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 Neg 935 865 341.10894 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 tartarate Xenobiotics Food Component/Plant 15336 LC/MS Neg 100000295 615.3 149.00916 87-69-4;6106-24-7 444305 852 C00898 HMDB00956 tartronate (hydroxymalonate) Xenobiotics Food Component/Plant 20693 LC/MS Polar 100000840 3700 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 tetrahydrocortisol sulfate (1) Lipid Corticosteroids 62793 LC/MS Neg 100020848 4276 445.19016 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 tramadol Xenobiotics Drug - Analgesics, Anesthetics 53241 LC/MS Pos Early 100006381 3288 264.19581 27203-92-5 33741 31105 C07153 HMDB14339 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 Polar 537 1882.5 137.03565 104-98-3 736715 643824 C00785 HMDB00301 tricosanoyl sphingomyelin (d18:1/23:0)* Lipid Sphingomyelins 52436 LC/MS Pos Late 100008955 3200 801.68441 HMDB12105 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 valylglycine Peptide Dipeptide 40475 LC/MS Neg 100003641 1506 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 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 Pos Early 100000015 2236 206.04479 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