#METABOLOMICS WORKBENCH hormel101_20170303_115623_mwtab.txt DATATRACK_ID:859 STUDY_ID:ST000567 ANALYSIS_ID:AN000872 PROJECT_ID:PR000387 VERSION 1 CREATED_ON March 6, 2017, 7:51 pm #PROJECT PR:PROJECT_TITLE Mayo Metabolomics Pilot and Feasibility Award: Effects of Curcumin PR:PROJECT_TITLE Supplementation on the Plasma Metabolome of Older Adults: Relation to Vascular PR:PROJECT_TITLE Function PR:PROJECT_SUMMARY Age is the major risk factor for cardiovascular diseases (CVD). Two key PR:PROJECT_SUMMARY contributors to the increased risk of CVD in middle-aged and older (MA/O) adults PR:PROJECT_SUMMARY are stiffening of the large elastic arteries and the development of vascular PR:PROJECT_SUMMARY endothelial dysfunction, indicated by impaired nitric oxide (NO)-induced PR:PROJECT_SUMMARY endothelium-dependent dilation (EDD). The mechanisms by which aging causes PR:PROJECT_SUMMARY arterial dysfunction are incompletely understood, but involve reductions in NO PR:PROJECT_SUMMARY bioavailability associated with the development of oxidative stress and PR:PROJECT_SUMMARY inflammation. Thus, establishing novel strategies to reduce arterial stiffness PR:PROJECT_SUMMARY and increase vascular endothelial function in MA/O adults by increasing NO PR:PROJECT_SUMMARY bioavailability and reducing oxidative stress and inflammation are a high PR:PROJECT_SUMMARY biomedical research priority. Curcumin is a naturally occurring phenol found in PR:PROJECT_SUMMARY the Indian spice turmeric that improves physiological function in animal models PR:PROJECT_SUMMARY of age-related diseases and is a promising nutraceutical for intervention for PR:PROJECT_SUMMARY promoting healthy aging. Our preclinical results indicate that chow supplemented PR:PROJECT_SUMMARY with curcumin reduces aortic pulse wave velocity (PWV), the most common and PR:PROJECT_SUMMARY clinically important measure of large elastic artery stiffness, restores PR:PROJECT_SUMMARY NO-mediated EDD and reduces arterial oxidative stress and inflammation in old PR:PROJECT_SUMMARY C57/BL6 mice. Preliminary data from our recently funded NIH R21 pilot grant PR:PROJECT_SUMMARY indicate that curcumin supplementation improves vascular function in humans. It PR:PROJECT_SUMMARY is possible that changes in the circulating (plasma) metabolome with oral PR:PROJECT_SUMMARY curcumin supplementation will provide insight into novel metabolic mechanisms by PR:PROJECT_SUMMARY which curcumin may improve vascular function. The goal of this project is to PR:PROJECT_SUMMARY identify key metabolic pathways that change with oral curcumin supplementation PR:PROJECT_SUMMARY and to relate those changes with improvements in vascular function in MA/O PR:PROJECT_SUMMARY adults with initial endothelial dysfunction. Metabolomic analysis of plasma PR:PROJECT_SUMMARY samples at baseline also may produce unique molecular signatures that predict PR:PROJECT_SUMMARY responsiveness (changes in vascular function) to curcumin supplementation among PR:PROJECT_SUMMARY individuals. PR:INSTITUTE Mayo Clinic PR:LAST_NAME Seals PR:FIRST_NAME Douglas PR:ADDRESS Department of Integrative Physiology University of Colorado Boulder, CO 80309 PR:EMAIL seals@colorado.edu PR:PHONE 303-492-5305 #STUDY ST:STUDY_TITLE Large Scale HILIC Profiling of the Effects of Curcumin Supplementation of Older ST:STUDY_TITLE Adults: Relation to Vascular Function ST:STUDY_SUMMARY Perform large scale profiling HILIC metabolite analysis related to nitric oxide ST:STUDY_SUMMARY biology, oxidative stress and inflammation in plasma before and after 12 weeks ST:STUDY_SUMMARY of oral curcumin (2000 mg/d) or placebo (double-blind, randomized) in men and ST:STUDY_SUMMARY women aged 45-79 years who are free from clinical cardiovascular disease. ST:INSTITUTE Mayo Clinic ST:LAST_NAME Seals ST:FIRST_NAME Douglas ST:ADDRESS Department of Integrative Physiology University of Colorado Boulder, CO 80309 ST:EMAIL seals@colorado.edu ST:PHONE 303-492-5305 #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]Additional sample data SUBJECT_SAMPLE_FACTORS 1 17may15_004-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 1 17may15_004-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 2 17may15_005-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 2 17may15_005-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 2 17may15_006-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 2 17may15_006-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 3 17may15_007-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 3 17may15_007-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 3 17may15_008-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 3 17may15_008-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 4 17may15_009-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 4 17may15_009-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 5 17may15_010-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 5 17may15_010-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 5 17may15_011-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 5 17may15_011-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 6 17may15_012-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 6 17may15_012-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 6 17may15_013-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 6 17may15_013-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 7 17may15_014-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 7 17may15_014-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 8 17may15_015-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 8 17may15_015-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 8 17may15_016-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 8 17may15_016-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 9 17may15_017-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 9 17may15_017-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 9 17may15_018-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 9 17may15_018-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 10 17may15_019-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 10 17may15_019-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 11 17may15_020-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 11 17may15_020-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 11 17may15_021-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 11 17may15_021-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 12 17may15_022-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 12 17may15_022-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 12 17may15_023-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 12 17may15_023-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 13 17may15_024-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 13 17may15_024-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 13 17may15_025-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 13 17may15_025-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 14 17may15_026-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 14 17may15_026-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 15 17may15_027-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 15 17may15_027-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 15 17may15_028-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 15 17may15_028-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 16 17may15_029-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 16 17may15_029-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 16 17may15_030-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 16 17may15_030-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 17 17may15_031-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 17 17may15_031-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 17 17may15_032-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 17 17may15_032-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 18 17may15_033-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 18 17may15_033-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 19 17may15_034-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 19 17may15_034-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 19 17may15_035-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 19 17may15_035-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 20 17may15_036-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 20 17may15_036-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 20 17may15_037-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 20 17may15_037-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 21 17may15_038-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 21 17may15_038-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 21 17may15_039-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 21 17may15_039-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 22 17may15_040-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 22 17may15_040-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 23 18may15_004-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 23 18may15_004-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 24 18may15_005-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 24 18may15_005-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 24 18may15_006-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 24 18may15_006-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 25 18may15_007-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 25 18may15_007-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 25 18may15_008-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 25 18may15_008-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 26 18may15_009-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 26 18may15_009-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 27 18may15_010-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 27 18may15_010-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 27 18may15_011-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 27 18may15_011-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 28 18may15_012-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 28 18may15_012-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 28 18may15_013-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 28 18may15_013-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 29 18may15_014-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 29 18may15_014-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 30 18may15_015-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 30 18may15_015-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 30 18may15_016-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 30 18may15_016-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 31 18may15_017-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 31 18may15_017-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 31 18may15_018-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 31 18may15_018-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 32 18may15_019-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 32 18may15_019-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 33 18may15_020-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 33 18may15_020-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 33 18may15_021-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 33 18may15_021-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 34 18may15_022-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 34 18may15_022-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 34 18may15_023-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 34 18may15_023-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 35 18may15_024-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 35 18may15_024-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 35 18may15_025-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 35 18may15_025-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 36 18may15_026-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 36 18may15_026-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 37 18may15_027-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 37 18may15_027-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 37 18may15_028-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 37 18may15_028-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 38 18may15_029-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 38 18may15_029-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 38 18may15_030-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 38 18may15_030-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 39 18may15_031-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 39 18may15_031-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 39 18may15_032-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 39 18may15_032-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 40 18may15_033-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 40 18may15_033-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 41 18may15_034-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 41 18may15_034-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 41 18may15_035-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 41 18may15_035-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 42 18may15_038-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 42 18may15_038-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 42 18may15_039-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 42 18may15_039-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 43 18may15_040-r001 groups:young | Time point:Baseline | replicate:1 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 43 18may15_040-r002 groups:young | Time point:Baseline | replicate:2 ionmode=NHILIC SUBJECT_SAMPLE_FACTORS 1 13may15_004-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 1 13may15_004-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 2 13may15_005-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 2 13may15_005-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 2 13may15_006-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 2 13may15_006-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 3 13may15_007-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 3 13may15_007-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 3 13may15_008-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 3 13may15_008-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 4 13may15_009-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 4 13may15_009-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 5 13may15_010-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 5 13may15_010-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 5 13may15_011-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 5 13may15_011-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 6 13may15_012-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 6 13may15_012-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 6 13may15_013-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 6 13may15_013-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 7 13may15_014-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 7 13may15_014-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 8 13may15_015-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 8 13may15_015-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 8 13may15_016-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 8 13may15_016-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 9 13may15_017-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 9 13may15_017-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 9 13may15_018-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 9 13may15_018-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 10 13may15_019-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 10 13may15_019-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 11 13may15_020-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 11 13may15_020-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 11 13may15_021-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 11 13may15_021-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 12 13may15_022-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 12 13may15_022-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 12 13may15_023-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 12 13may15_023-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 13 13may15_024-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 13 13may15_024-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 13 13may15_025-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 13 13may15_025-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 14 13may15_026-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 14 13may15_026-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 15 13may15_027-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 15 13may15_027-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 15 13may15_028-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 15 13may15_028-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 16 13may15_029-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 16 13may15_029-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 16 13may15_030-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 16 13may15_030-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 17 13may15_031-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 17 13may15_031-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 17 13may15_032-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 17 13may15_032-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 18 13may15_033-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 18 13may15_033-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 19 13may15_034-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 19 13may15_034-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 19 13may15_035-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 19 13may15_035-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 20 13may15_036-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 20 13may15_036-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 20 13may15_037-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 20 13may15_037-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 21 13may15_038-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 21 13may15_038-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 21 13may15_039-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 21 13may15_039-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 22 13may15_040-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 22 13may15_040-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 23 15may15_004-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 23 15may15_004-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 24 15may15_005-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 24 15may15_005-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 24 15may15_006-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 24 15may15_006-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 25 15may15_007-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 25 15may15_007-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 25 15may15_008-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 25 15may15_008-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 26 15may15_009-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 26 15may15_009-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 27 15may15_010-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 27 15may15_010-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 27 15may15_011-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 27 15may15_011-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 28 15may15_012-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 28 15may15_012-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 28 15may15_013-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 28 15may15_013-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 29 15may15_014-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 29 15may15_014-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 30 15may15_015-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 30 15may15_015-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 30 15may15_016-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 30 15may15_016-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 31 15may15_017-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 31 15may15_017-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 31 15may15_018-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 31 15may15_018-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 32 15may15_019-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 32 15may15_019-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 33 15may15_020-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 33 15may15_020-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 33 15may15_021-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 33 15may15_021-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 34 15may15_022-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 34 15may15_022-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 34 15may15_023-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 34 15may15_023-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 35 15may15_024-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 35 15may15_024-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 35 15may15_025-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 35 15may15_025-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 36 15may15_026-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 36 15may15_026-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 37 15may15_027-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 37 15may15_027-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 37 15may15_028-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 37 15may15_028-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 38 15may15_029-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 38 15may15_029-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 38 15may15_030-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 38 15may15_030-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 39 15may15_031-r001 groups:Old-Curcumin | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 39 15may15_031-r002 groups:Old-Curcumin | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 39 15may15_032-r001 groups:Old-Curcumin | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 39 15may15_032-r002 groups:Old-Curcumin | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 40 15may15_033-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 40 15may15_033-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 41 15may15_034-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 41 15may15_034-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 41 15may15_035-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 41 15may15_035-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 42 15may15_038-r001 groups:Old-Placebo | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 42 15may15_038-r002 groups:Old-Placebo | Time point:Pre | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 42 15may15_039-r001 groups:Old-Placebo | Time point:Post | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 42 15may15_039-r002 groups:Old-Placebo | Time point:Post | replicate:2 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 43 15may15_040-r001 groups:young | Time point:Pre | replicate:1 ionmode=PHILIC SUBJECT_SAMPLE_FACTORS 43 15may15_040-r002 groups:young | Time point:Pre | replicate:2 ionmode=PHILIC #COLLECTION CO:COLLECTION_SUMMARY Healthy men & women aged 45-79 without clinical CVD, but with below normal CO:COLLECTION_SUMMARY baseline endothelial dysfunction (FMDBA < 7%). #TREATMENT TR:TREATMENT_SUMMARY "A 12-week randomized, double-blind, placebo controlled study will be conducted. TR:TREATMENT_SUMMARY After CTRC screening for inclusion/exclusion criteria, qualified subjects will TR:TREATMENT_SUMMARY be randomly assigned to 1 of 2 groups. The investigators involved in the TR:TREATMENT_SUMMARY acquisition and analysis of key outcomes will be blinded to the curcumin intake TR:TREATMENT_SUMMARY status of the subjects. With the assistance of dietary monitoring from the TR:TREATMENT_SUMMARY UC-Boulder CTRC bionutritionists, subjects will maintain their baseline diet TR:TREATMENT_SUMMARY with either unchanged (control) or enhanced curcumin intake delivered as TR:TREATMENT_SUMMARY capsules (Longvida®, Verdure Sciences): Group 1 = placebo (inert substances); TR:TREATMENT_SUMMARY Group 2 = curcumin (2000mg curcumin/day). Extensive published work has TR:TREATMENT_SUMMARY established that the curcumin dose of 2000 mg/day is well tolerated and safe. TR:TREATMENT_SUMMARY Sessions 1 & 2: Screening measurements. Session 3: Baseline measurements and TR:TREATMENT_SUMMARY blood draw. Sessions 4-8 (every other week to assess adherence and overall TR:TREATMENT_SUMMARY subject well-being): Body weight, BP, adherence, discuss any problems. Session TR:TREATMENT_SUMMARY 9: Identical to session 3 (stop intake of capsules after completion of TR:TREATMENT_SUMMARY post-testing)." #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Venous blood sampling. All blood samples are handled in a similar time frame and SP:SAMPLEPREP_SUMMARY immediately spun to extract plasma and stored in our -80 freezer until ready for SP:SAMPLEPREP_SUMMARY analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH Amide (150 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples 13may15_004-r001 13may15_004-r002 13may15_005-r001 13may15_005-r002 13may15_006-r001 13may15_006-r002 13may15_007-r001 13may15_007-r002 13may15_008-r001 13may15_008-r002 13may15_009-r001 13may15_009-r002 13may15_010-r001 13may15_010-r002 13may15_011-r001 13may15_011-r002 13may15_012-r001 13may15_012-r002 13may15_013-r001 13may15_013-r002 13may15_014-r001 13may15_014-r002 13may15_015-r001 13may15_015-r002 13may15_016-r001 13may15_016-r002 13may15_017-r001 13may15_017-r002 13may15_018-r001 13may15_018-r002 13may15_019-r001 13may15_019-r002 13may15_020-r001 13may15_020-r002 13may15_021-r001 13may15_021-r002 13may15_022-r001 13may15_022-r002 13may15_023-r001 13may15_023-r002 13may15_024-r001 13may15_024-r002 13may15_025-r001 13may15_025-r002 13may15_026-r001 13may15_026-r002 13may15_027-r001 13may15_027-r002 13may15_028-r001 13may15_028-r002 13may15_029-r001 13may15_029-r002 13may15_030-r001 13may15_030-r002 13may15_031-r001 13may15_031-r002 13may15_032-r001 13may15_032-r002 13may15_033-r001 13may15_033-r002 13may15_034-r001 13may15_034-r002 13may15_035-r001 13may15_035-r002 13may15_036-r001 13may15_036-r002 13may15_037-r001 13may15_037-r002 13may15_038-r001 13may15_038-r002 13may15_039-r001 13may15_039-r002 13may15_040-r001 13may15_040-r002 15may15_004-r001 15may15_004-r002 15may15_005-r001 15may15_005-r002 15may15_006-r001 15may15_006-r002 15may15_007-r001 15may15_007-r002 15may15_008-r001 15may15_008-r002 15may15_009-r001 15may15_009-r002 15may15_010-r001 15may15_010-r002 15may15_011-r001 15may15_011-r002 15may15_012-r001 15may15_012-r002 15may15_013-r001 15may15_013-r002 15may15_014-r001 15may15_014-r002 15may15_015-r001 15may15_015-r002 15may15_016-r001 15may15_016-r002 15may15_017-r001 15may15_017-r002 15may15_018-r001 15may15_018-r002 15may15_019-r001 15may15_019-r002 15may15_020-r001 15may15_020-r002 15may15_021-r001 15may15_021-r002 15may15_022-r001 15may15_022-r002 15may15_023-r001 15may15_023-r002 15may15_024-r001 15may15_024-r002 15may15_025-r001 15may15_025-r002 15may15_026-r001 15may15_026-r002 15may15_027-r001 15may15_027-r002 15may15_028-r001 15may15_028-r002 15may15_029-r001 15may15_029-r002 15may15_030-r001 15may15_030-r002 15may15_031-r001 15may15_031-r002 15may15_032-r001 15may15_032-r002 15may15_033-r001 15may15_033-r002 15may15_034-r001 15may15_034-r002 15may15_035-r001 15may15_035-r002 15may15_038-r001 15may15_038-r002 15may15_039-r001 15may15_039-r002 15may15_040-r001 15may15_040-r002 Factors groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:Old-Curcumin | Time point:Pre | replicate:1 groups:Old-Curcumin | Time point:Pre | replicate:2 groups:Old-Curcumin | Time point:Post | replicate:1 groups:Old-Curcumin | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:Old-Placebo | Time point:Pre | replicate:1 groups:Old-Placebo | Time point:Pre | replicate:2 groups:Old-Placebo | Time point:Post | replicate:1 groups:Old-Placebo | Time point:Post | replicate:2 groups:young | Time point:Pre | replicate:1 groups:young | Time point:Pre | replicate:2 1247.2689@0.77395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17768 16699 1 10153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14991 1 1 1 1 1 1 25924 25127 29764 29662 1 1 1 1 1 10388 20284 17428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30657 29933 21206 1 1 1 1 1 11441 13056 1 1 1 1 1 1 1 1 1 1 1 1 1 19554 1 1 1 1 15450 15660 1 1 1 1 1 1 1 1 C8 H7 N5 S 26592 31410 41811 39693 22285 18542 39941 41587 10890 10161 20278 22629 1 1 1 25253 67243 69800 47791 47422 10531 9375 41549 38587 47507 47060 7255 5883 5043 1 8885 8756 42984 49235 23121 25052 71479 77781 22772 25379 1 16862 1 4911 5966 7610 49686 49008 32741 31218 45339 45310 67220 72547 22318 23328 25320 24652 32727 33499 85578 83542 92750 101514 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5464 4709 5115 7338 7894 5040 5765 5760 5028 3881 3547 1 1 4180 4110 5331 6167 7513 6201 6079 5907 6737 6028 5765 5942 5950 5846 8176 6885 1 3036 1 1 4525 4558 5569 4767 4596 4995 5174 1 5760 5591 5929 5951 6023 6167 4621 5097 5585 4236 6008 5975 3758 1 4881 5218 5754 6367 6043 5563 4219 5096 294.2193@1.1016419 43345 64820 62760 57141 51549 47528 65612 118943 63867 60558 49984 42110 74142 76892 88378 79098 45535 43901 45417 43662 36958 39425 49470 80758 55713 73052 1 26824 1 1 50412 48508 71240 100572 53772 48818 63834 76184 57617 55513 128703 97578 67450 67623 76777 62386 78641 11848 56086 49020 67566 72717 77905 69378 71550 60989 50043 1 57042 55383 52624 46162 47244 68167 59666 64657 42930 41380 38993 31796 37068 1 161144 420509 1 18685 46004 51712 72243 73256 40002 53885 132729 82190 34804 34188 71360 47318 62207 52118 82820 65567 132796 85272 128319 101818 33550 44574 40221 51437 58230 43760 39745 60513 86264 1 40822 34342 53427 46959 95670 105043 87555 96760 82257 90591 66146 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DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) 545801 552728 596905 574374 563713 567227 430681 449348 562220 547641 605684 602504 455485 452100 454831 457056 743014 729034 640940 635312 568120 562953 526432 500576 500874 490484 716087 708947 640949 623806 556432 534368 600801 596457 546424 544584 429737 441420 489521 485442 382774 373753 397408 386575 545442 543308 506200 487119 532051 499847 440026 433074 438195 417842 420912 436438 406090 416774 478195 476783 465754 444019 517459 530494 464167 466626 504186 502300 670152 643600 612884 610905 472639 488481 632971 601204 482985 462074 429161 430595 486224 478308 449009 434107 648111 624766 451128 468204 419866 414351 361216 350592 297281 294685 330832 342048 494164 491255 529942 540658 582818 556901 531892 534335 556628 545989 502649 499361 600351 597238 226797 229749 216804 226387 424621 413815 407036 390588 459580 447889 478453 465873 482593 489960 500850 480084 576745 565206 433146 440513 403227 398738 470618 453525 330948 316699 391648 404263 455090 458483 477687 445845 379956 406390 414.2051@1.1041028 839688 856793 552910 574836 1 4837504 814521 877967 499595 463963 568574 690158 349471 295904 354611 342726 675805 1 505930 480149 704827 749233 425970 465261 479107 551334 1061796 931419 1570864 1612540 687546 708456 924849 1054737 542783 434862 1 614528 506036 470526 888327 1016352 599315 642833 527343 525113 872489 919610 1 720805 531043 520404 383659 1 461263 468208 645752 622346 884172 829982 577305 561088 729050 743852 567719 1 685882 568310 632941 738145 877236 760102 1 860035 879953 866261 985176 1062913 998261 1024089 860214 899018 906979 932166 882614 789156 934856 1126564 736605 804960 1178001 1248334 674020 700754 1 1036820 888294 945585 773020 781317 937826 1008830 1078020 945800 763543 887361 872659 1048417 825253 1009210 618258 652330 1 950200 1027947 1018314 1147930 1103447 1009959 916815 751187 733291 691934 771727 942822 846106 998664 1007289 1335367 1249736 1325287 1347312 1199888 1219476 1395436 1476983 890927 873213 981807 960837 1535699 1718851 769069 722809 762.5596@1.1057392 1 1 1 1 1 2825 1 1 1 1 1 3410 1 1 1 1 1 4003 3577 3161 1 2658 1 1 1 1 1 3651 3633 3428 3091 1 2844 1 1 1 1 1 1 1 1 1 1 1 1 3033 1 1 3092 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 2604 1 2728 1 1 3405 1 4230 1 1 1 2885 1 1 1 2425 1 1 1 1 1 3099 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 1 1 1 3281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) + 1.1061205 1 1 1 41537 40892 41194 28036 33367 8463 35316 1 44277 29557 31453 28682 33460 54010 50936 45399 44157 49041 43677 38866 36986 35305 1 1 51547 52496 49433 42143 40374 1 42605 43103 42662 32539 34681 37860 36708 1 30089 29140 31506 40377 38775 36201 39442 39710 39448 33222 33427 32952 31912 34521 1 1 33268 37368 37092 38834 31805 39926 43018 35965 36376 5387 38901 56105 52527 49749 51104 37631 39542 50645 51348 33289 34231 33432 1 41162 40321 30299 31352 51479 50237 32881 36426 1 1 25208 1 1 1 24070 24078 1 38224 39253 45838 46828 43284 43951 43824 44953 43252 36878 37079 45344 43684 1 14614 1 14820 31246 31071 29717 30816 34868 33452 35812 32374 37987 37437 38129 37906 43516 43634 33852 34768 30427 33547 36472 37153 23698 23438 27669 27056 36440 34477 38725 35866 28944 30380 555.3423@1.1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3341 3524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.8207@1.1040477 7483 1 1 8360 1 1 25438 1 25713 1 1 1 1 1 1 1 4458 1 1 5738 1 1 1 1 1 1 1 1 1 1 1 1 1 10450 1 1 1 1 1 8130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5749 5813 5366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3242 1 1 3637 1 1 1 3150 1 7072 1 11502 1 8109 1 1 1 1 1 1 1 1 7967 1 1 1 1 1 1 7168 1 1 1 1 16423 1 1 1 1 33813 1 1 1 1 1 1 1 1 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185691 190890 144996 150624 139382 141598 183359 187700 136428 139972 146517 153678 136702 135603 104340 98048 129887 127296 123936 124573 144659 141085 158536 153712 128713 132911 138350 139430 147951 139488 123561 128081 140443 141895 171499 168140 161449 163075 148845 154149 174223 172009 153739 149425 177261 187955 127634 122578 168315 160155 119671 122989 114927 110958 111868 108620 127072 126071 183197 194595 160432 145101 139773 128198 144101 141801 901.8041@1.1193125 1 1 1 1 1 1 1 1 1 21977 1 1 1 1 1 1 1 1 1 27973 1 1 1 1 1 1 18821 11552 19632 1 1 1 25173 22076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14999 1 1 1 19776 1 1 1 1 58434 1 1 1 1 1 1 1 1 1 15901 1 21295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33555 1 26667 1 1 1 17484 1 1 1 1 1 1 1 1 645.4225@1.1106666 1 6705 1 7060 1 1 1 1 1 1 6402 6132 1 1 1 1 1 1 6239 4668 1 1 1 8787 1 1 1 1 1 1 1 1 1 1 10252 1 8086 1 6068 1 1 9123 1 10632 1 1 1 1 1 1 1 7065 1 1 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255.2566@1.1127678 18205 17458 16084 16620 1 22761 1 1 16873 1 1 1 21156 21184 17898 1 1 1 1 19936 1 16427 19482 1 1 1 14985 1 1 1 1 1 20191 21919 1 1 1 1 1 1 14647 15716 27592 27537 15642 14438 1 1 26748 25089 21277 19687 1 1 1 1 17857 1 16411 1 1 12116 12485 15575 1 12491 1 16085 16251 1 1 1 1 1 1 1 1 1 1 21612 1 1 13044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10064 1 1 14125 1 1 19699 20709 1 20497 25011 23484 1 19903 1 1 10204 12813 1 17687 1 13873 13283 10642 16697 1 13206 12400 1 15064 1 1 26393 28525 1 1 1 1 1 18805 887.7897@1.1284348 1 1 1 1 1 1 1 1 1 7830 1 1 2670 1 7274 4950 8424 1 1 9096 1 6153 1 1 1 1 1 1 1 1 4931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5865 1 1 1 1 6493 1 1 1 1 3528 2867 3737 1 1 1 1 1 1 4381 1 1 1 1 4995 1 3909 1 1 1 1 4079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4625 3507 1 1 7682 2635 5225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5093 1 1 1 1 1 1 645.6062@1.1150883 30177 30270 14592 13507 1 24927 5125 5357 14942 15374 27574 9834 11813 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310651 248940 247414 285707 290802 225904 205676 99711 99274 82459 85339 55182 57310 186791 188251 146219 136111 194457 196804 241711 248159 151462 152794 154209 153809 79263 79857 116540 112392 149923 137083 310269 317095 175385 160015 112258 105457 131409 126021 11806 10959 45954 34899 110818 107064 74327 76349 116455 127430 174587 182168 128181 128548 218831 228602 210470 210756 115822 112501 114755 117166 291890 286141 151167 138675 114379 111847 84456 79827 84968 84206 113862 105264 132038 137678 143346 117849 155709 164746 253367 251359 260907 266105 248424 246954 152306 143232 129506 123902 84332 63077 120430 121334 92515 1 250218 246086 150846 197185 88842 84710 203019 181792 165556 167919 370579 377901 264060 269392 194475 200672 Caproic acid 1 1 57311 52156 55960 1 1 1 1 65137 27136 1 55158 52845 1 59387 36139 42874 55265 47768 54061 41850 50256 1 51720 53051 46766 50308 34176 40927 45290 46702 55856 52024 40055 32435 33545 42778 39605 30804 63688 54890 64024 68021 54935 64933 1 1 38695 1 67035 69656 53462 48367 47078 35691 61044 64769 55871 21452 50596 1 1 51621 56780 69594 55792 1 1 33158 41574 44796 1 49986 44750 22381 43229 35597 47530 1 55786 1 55231 38456 1 41567 38043 40059 29738 26131 28956 1 1 27403 22273 1 25250 26020 24038 25920 1 26783 1 30972 32004 28227 25946 25144 18250 22809 24368 29620 32689 1 23245 25562 1 24957 31240 26211 1 33405 24573 1 1 36758 1 1 23434 19991 1 21916 25074 21429 29927 26048 1 37820 29827 34575 28025 27133 23788 1 C29 H55 N O2 S 13610 1 18192 1 13928 14051 17644 16315 15956 1 10346 6026 20252 17270 1 9402 1 17778 13274 13681 7715 1 20382 14771 10878 8017 10701 1 8410 13205 1 14009 8583 9056 1 1 12082 14835 11603 1 19938 19830 12947 1 1 1 1 1 13876 12846 11656 1 16953 8937 15102 13321 24471 18459 1 1 17463 14728 14602 15556 30465 31870 11611 1 11478 9977 10603 1 1 1 1 1 14494 10787 21210 16960 8708 14855 1 1 1 1 1 13505 19139 14122 19101 1 1 8180 12827 8392 11532 13309 1 1 18285 6243 19331 11732 1 1 1 9970 17320 9658 1 10010 18759 1 15910 14134 18645 19663 1 1 15397 15013 1 10219 14137 13885 9816 1 15440 1 1 1 12099 9230 1 8498 11236 1 12274 1 12958 15370 16657 14843 308.2205@1.4001068 44977 53791 39322 37945 31037 36477 28038 40268 50693 28384 27546 36364 23591 32135 62481 54483 30192 37677 41332 42071 60923 54314 32439 36541 45813 48834 39704 34754 31470 33160 57114 54579 32641 27860 54923 51569 43080 44631 46429 38694 58397 58302 57783 58003 42128 41158 43152 42155 34664 34345 64592 66871 22198 31476 85240 90581 50590 49279 53509 13289 75186 62774 51592 58597 91221 91958 39520 35327 22469 34179 64916 43064 20296 23660 6495 5540 13843 16959 18848 10712 13782 15309 9799 12430 14442 20670 11547 1 6941 1 20833 17671 14573 14696 9923 11793 1 18645 15933 16863 16178 15493 17865 14252 12649 15053 1 1 1 7210 1 1 1 13952 8381 1 1 12282 1 1 13229 14556 1 1 59754 65955 1 1 12730 10164 10919 20403 1 8417 7727 1 1 7893 12284 1 8637 1 8168 8560 436.3667@1.3865098 1 1 14506 11995 1 1 1 1 1 7594 1 1 1 1 7015 1 1 1 1 7567 1 1 1 1 7097 1 1 1 5089 3654 1 1 1 5118 1 1 1 1 16411 12132 1 5710 1 1 1 1 7501 1 3843 4236 1 1 1 1 19789 20253 9199 9907 1 3036 5234 1 1 11207 8057 4909 15652 14007 1 1 12513 11544 1 1 1 1 13256 13631 18937 20338 1 1 1 1 51922 49758 15518 13405 1 1 1 1 1 1 1 1 32600 28430 1 1 1 1 16521 20006 1 1 1 1 1 1 1 1 1 1 17309 18094 1 1 1 1 1 4819 1 1 15754 17585 6674 4315 1 1 1 1 15568 13945 1 1 1 1 1 1 7523 5043 1 1 134.0949@1.4081575 14060 23814 25633 27344 38998 36999 20354 16285 21408 1 21342 1 32390 37730 25992 1 28053 31771 37568 41385 12714 23271 39851 34456 36884 32376 18430 31182 1 20843 23612 27746 28354 29036 19626 22082 1 14605 21513 23711 28739 24543 24527 45503 43867 28814 23049 17588 12138 15545 47014 1 21131 27385 1 21358 38720 26107 32266 36861 23100 24165 1 26265 30962 27636 38416 24584 29576 29906 20982 22861 21178 31811 25950 27244 22103 38390 40588 35655 45233 33322 46176 45371 31070 28932 25582 20299 1 20511 18806 21833 8656 1 19286 18201 1 16580 19646 21348 23589 27572 20218 13316 22412 26826 1 12034 1 11408 1 19767 19617 20298 18171 20124 20832 1 20905 23656 21066 17868 11385 19088 14876 1 17618 20519 17671 1 15447 15832 22689 21759 22188 14442 23180 14202 25005 21114 22611 7646 16958 25762 Caffeine 1 1 297869 300834 239915 250649 738008 751983 85722 85832 1 1 570108 554482 263579 265966 180297 180799 92845 88128 1 1 221413 223196 50916 51465 600350 608192 478062 476508 1 1 1 1 1 1 324063 332739 205756 183778 226555 224222 367660 377965 238036 242589 642040 620128 694463 692326 1 1 1 1 72067 69576 119591 123046 1 1 98777 95269 94314 102167 99284 96023 171713 167201 102509 1 393346 391158 30503 34028 1 1 26890 26628 7654 1 132344 132264 139925 140494 1 1 1 1 23907 24850 28790 27908 14304 11009 51857 49486 13035 13325 35858 37219 1 1 1 1 147083 142694 379319 378927 242853 246263 26668 23448 64874 67803 1 1 1 1 1 1 365993 361885 68714 68665 118427 117843 537539 533386 124875 129524 646809 640600 46822 44482 212553 205942 25054 25076 398943 403072 381076 377798 1 1 215.1528@1.4160744 15296 16903 1 17003 19095 18931 29667 17611 22901 21836 1 14670 17551 17430 18454 19022 20198 19694 19047 20002 20833 18615 19725 21138 19679 21026 15390 15709 22465 21047 18542 23938 16668 18072 1 18472 16394 1 1 16414 16753 17429 17233 1 22579 20144 17414 17975 18004 21935 22681 20963 16940 30333 1 23483 20963 23003 17034 21566 28166 27741 28470 1 21837 17794 18291 16931 18321 17353 20567 21733 12221 12681 12783 1 22428 20452 13049 13658 11934 1 1 19530 15831 15935 14220 16148 1 1 27237 26612 12145 12589 24272 15921 15074 14193 11862 13864 12978 18605 1 16795 15141 16156 19796 17716 15067 14321 19658 19689 1 10908 1 14150 13595 9037 15285 15088 11742 1 14627 1 1 20894 12599 12255 1 22516 17674 13906 1 20762 11490 11552 1 12885 15413 16102 22492 20219 13650 1 216.1728@1.4122221 1 1 1 8928 13720 1 1 1 20476 6246 1 1 1 9773 1 1 1 1 1 11069 1 6224 1 1 1 1 6901 1 1 10335 1 1 1 1 1 1 1 1 11153 9831 20604 14927 1 1 1 1 1 1 1 1 10419 1 1 1 1 1 1 10780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8935 1 1 1 8200 1 1 1 1 673.2469@1.4146667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.674@1.4329088 10599 10116 7948 7418 1 3838 1 1 7021 7095 1 1 1 4780 1 1 1 1 6209 4814 4193 4384 1 1 5203 4717 6009 7449 3280 1 1 1 5345 4559 1 1 1 1 1 1 1 1 1 1 3734 3663 6939 6708 11874 8628 3847 1 5728 5764 5050 1 1 4511 6786 7774 1 1 1 1 3684 5028 4472 1 4726 1 1 1 1 6983 1 1 1 1 1 1 1 4580 3692 4645 1 4618 1 1 1 1 1 1 1 3248 3213 3834 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 5153 5130 5852 4393 1 1 1 1 1 1 1 1 3675 1 7569 1 4532 4511 1 4401 1 1 2380 1 1 1 164.1051@1.4376987 15179 18837 20499 24122 16022 38036 16133 17493 28668 22553 14025 18498 23356 28174 20154 24960 21379 21148 19408 15794 18335 17283 19298 23157 16729 21271 21510 24520 15047 1 21217 23017 21107 24998 1 20311 1 1 19423 1 18406 16767 24615 26939 19204 25611 14644 18025 15917 12000 25117 26936 28908 27959 16129 18792 16583 22225 25874 21923 26625 29721 18712 25688 27597 22736 34605 33737 28706 26592 24418 25437 24087 24966 43832 47808 55624 57669 56202 57674 37298 42713 50039 60408 54191 54896 32675 39792 43026 40651 37965 45076 15698 18935 53591 55650 39248 46577 51312 56724 59550 56206 1 27756 55141 54584 36346 26897 45595 43618 34183 36014 44430 48239 36684 38517 60966 64930 45568 48794 42370 40153 69768 74924 1 1 43610 52370 14438 15883 19803 16047 19160 21898 38441 29620 49294 57529 35467 40416 43451 52157 39405 40438 580.232@1.4612143 1 1 1 1 1 1 1 1 1 1 28266 22267 1 1 1 1 1 1 22516 16760 1 1 1 1 15097 18577 32867 1 36555 30495 1 1 1 1 1 1 1 1 1 1 21605 16617 1 1 1 1 1 1 19697 1 1 1 1 1 19675 20082 1 1 1 1 1 1 21366 1 55759 53475 1 1 19623 1 1 1 1 1 1 1 1 1 1 13053 1 20341 1 1 1 1 34660 39117 1 1 1 1 1 1 1 56144 1 1 23041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52971 46111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44038 1 1 1 1 1 35221 1 1 1 1 1 1 644.2487@1.4621886 13983 17569 19649 14255 8277 7749 22846 24432 1 1 8065 7935 34236 37504 28370 28286 12249 10736 1 6174 17913 16112 8380 8086 1 6091 11262 13765 15439 17835 10360 13058 22823 1 21411 14164 13284 19850 15047 6688 1 6861 1 1 1 1 9714 14832 12199 1 15696 18011 17353 15243 8678 9594 11447 11669 1 1 1 7182 9718 11920 1 23952 13540 7875 1 6173 10749 1 1 1 1 1 1 5465 1 4106 1 4505 14081 8521 9643 8719 13198 6415 18998 1 7990 6346 7342 7898 20683 15936 4981 1 1 6695 1 1 4738 1 8647 6445 11089 7723 9187 9087 10011 5222 20469 20545 16018 17097 21378 18118 10918 10291 10913 10847 1 1 1 7163 5575 1 13182 9429 15501 12529 1 7341 14974 8382 1 1 1 24555 20044 20119 17106 16667 699.5623@1.4767061 12460 12683 15010 13681 1 9870 1 1 17551 15553 12987 13708 10260 9313 8076 1 10686 9808 16840 11169 10443 10856 6218 7361 13195 12177 1 13918 8820 9252 1 7537 11483 1 1 1 1 1 1 1 8922 1 6990 8045 1 7832 13407 11310 20075 13014 10047 1 11988 1 1 1 13039 12574 1 1 1 7510 9601 1 1 1 9492 1 9439 8279 1 1 14242 14421 1 1 1 1 9869 9916 1 6587 1 1 1 7647 1 8577 1 1 1 8177 9130 9095 9197 6727 5437 6540 1 7608 1 5946 7434 1 1 1 1 6555 1 1 1 1 5994 1 9352 12288 1 1 1 8891 10304 1 8577 1 1 1 1 5725 1 1 9331 1 1 8830 9858 11415 11448 11602 1 1 1 1 1 1 C13 H14 N2 S 1 29424 26727 23324 31007 26879 21119 20315 35256 34914 14304 15660 36132 36702 20356 20274 21957 19216 22868 20676 14064 15569 1 11541 13924 13923 27900 29204 29108 31105 18129 18597 25985 24453 37033 37490 38127 38071 48801 55141 56471 57701 30824 30869 18236 18085 56231 53449 10567 11580 15539 16317 22298 22242 13595 14328 40632 39418 23470 24227 12245 14319 20346 21340 21119 20315 21623 28278 23837 1 25458 25159 23953 24850 1 1 1 1 1 1 12136 12149 10715 10724 7215 1 14141 12977 27976 26531 16156 14701 9759 1 1 6619 1 6536 1 1 1 1 11572 11502 8252 1 1 1 13181 12464 16385 16304 8589 1 12996 11799 1 1 1 8767 8916 8312 1 1 11630 12793 1 1 1 1 1 1 1 1 13248 13526 1 1 13928 16813 1 1 1 9978 180.0651@1.5182405 1 1 1 1 1 29822 82145 78327 1 1 1 1 72423 1 36769 34467 25327 1 24280 23430 1 1 1 43929 1 1 59001 61541 61149 50612 1 54160 1 1 1 1 42429 54587 27834 32132 40140 1 42864 41165 27083 1 54033 52435 57291 66319 1 1 1 1 1 51857 1 18461 1 1 1 13800 1 1 22998 24878 1 1 20313 16800 1 38721 1 1 1 1 1 1 4648 5128 18537 1 1 21078 1 1 1 17275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44971 42027 1 32806 1 1 1 99813 1 1 1 1 1 1 1 1 13605 1 1 1 1 147716 1 231006 228157 1 1 26074 1 30792 1 1 45116 44315 38201 40099 1 1 380.304@1.5175714 1 1 19568 21160 1 1 1 1 20216 9084 1 1 1 1 11026 12580 1 8984 18666 15213 24040 22695 8117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21341 21434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50528 52056 30511 30045 10148 12850 13155 13995 15675 1 38075 40667 22660 21435 1 1 22197 24150 1 1 1 1 8720 4823 17873 16047 1 1 1 1 25666 25143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10303 10676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11082 1 1 1 47809 48548 9170 5022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H59 N O3 S 8738 1 1 12022 1 11041 17506 15734 14068 7390 1 1 12180 12485 5615 1 10329 1 1 8436 6596 1 14723 14520 9752 1 7462 1 1 1 1 8201 1 1 12779 1 12518 7904 1 1 14055 13607 7357 8597 1 1 1 1 1 7116 1 9930 9861 9858 12257 12530 17301 17815 1 1 10451 12820 10413 11131 24611 22107 1 9413 1 1 7328 7451 1 1 1 1 1 1 17670 14639 19043 19133 11495 7805 1 1 4115 12458 14479 12475 15061 10456 1 1 12880 12120 11060 12709 1 9664 14228 10748 13840 1 1 5317 1 8054 14961 13968 1 9169 11131 12389 1 11346 13318 14366 9331 1 1 11474 1 1 1 12456 1 1 10924 10980 11392 1 13608 1 1 9238 10543 1 1 11838 1 13139 3326 13066 141.1154@1.5307267 13828 15567 19562 18403 18397 1 1 15388 19420 19583 1 16618 15101 15248 1 1 20652 17515 18103 19251 15875 17347 1 22213 1 14171 12535 1 1 16835 16820 14409 13555 14070 14971 15143 14188 1 15685 15856 14538 1 15578 1 16164 17181 14414 1 16221 1 18632 1 1 16767 21401 19991 18442 19174 17211 18069 18084 1 18039 20816 1 19339 1 14952 1 16353 1 19115 1 11979 1 1 16500 1 1 13789 1 1 16698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13611 1 1 1 1 1 12708 1 14357 12133 1 20473 17939 1 1 1 1 1 16059 14046 12487 1 1 1 1 1 14039 1 1 12337 1 187.1214@1.5302632 63372 67801 91749 83025 86333 82990 66656 71744 90918 99926 68346 75957 69509 71056 68154 69305 83596 90752 84193 96321 99179 96766 116168 111743 60533 62596 66155 75292 72039 72941 74493 79595 65013 68071 80222 77253 66158 62453 72501 74082 69791 66396 70033 69092 81654 79813 73698 67267 84074 76123 90026 89224 59682 78746 98853 113477 94221 89189 79223 82480 83718 79410 93283 96171 1 101744 76956 82161 61179 68835 84854 84641 55319 54442 64928 59269 60332 1 59270 1 59269 55853 62293 68574 55291 59412 55991 56646 60064 57325 1 77546 51660 52813 63485 58271 50023 48473 48852 55537 58756 59634 58325 59078 60310 57355 60284 62104 69232 67043 66581 70501 66815 59312 55685 57815 1 57163 60754 58970 55531 61709 55215 55072 90748 106437 1 80525 90120 90548 78230 1 60436 54984 59311 57232 61563 58766 51252 54707 57696 57477 45030 50354 Piperidione 1 76733 100497 95541 108570 108771 82368 80456 108369 105208 85080 79575 91316 87901 92331 86676 104190 91986 99718 102895 93794 1 129291 133028 82270 73307 78231 77544 98070 94112 88412 89877 81440 1 84201 90422 80896 80379 1 88444 78897 83851 85008 89983 96374 98688 78818 86940 88748 86376 110878 1 79898 87741 115995 119804 103288 1 91687 92730 94712 100760 118628 1 1 106815 87508 98824 80529 78166 99749 108856 1 1 71426 1 1 1 69929 72251 1 1 77676 80980 67987 1 1 64581 73438 1 1 1 67928 1 75325 1 1 1 65968 1 73514 74959 1 1 1 67667 73188 76680 79827 85919 1 1 81191 1 1 69277 1 1 66501 66173 1 1 1 73412 120245 117678 80916 81188 112414 113917 1 90568 73949 68417 69010 72810 1 1 69955 1 1 1 1 55948 2S-amino-pentanoic acid 83891 85540 117077 117526 236930 243373 79588 77402 86742 94111 109706 108565 274437 264296 153939 151881 192864 191694 196699 196429 76233 76611 241636 235380 208200 214528 203967 208535 101054 99442 126638 130025 207754 204107 149455 148891 77287 81633 128270 123983 206746 211481 242192 241488 239631 242025 164789 159125 89875 94539 236717 227278 201214 203740 124398 126504 259344 258185 225485 233005 127459 127645 166295 164884 118616 121456 234469 236650 188370 192852 123009 122808 140191 142587 154273 157117 219407 222246 189188 185745 237084 239715 207891 229025 121225 120176 106325 105076 91543 92221 78637 76394 33783 32936 36460 35579 1 1 37866 41175 61863 66368 50361 52123 58431 58865 53306 55160 51394 55765 70422 70337 72950 71968 66932 72203 57798 56305 66112 68100 67047 66082 50530 53000 83297 81042 42708 43789 52774 55256 52720 52196 56022 53602 97654 91642 84935 87616 103843 110747 103765 104474 96890 97337 511.4088@1.5383567 10910 10512 9343 9285 11502 12011 11654 10788 17333 18126 1 4309 22793 24539 8324 7885 7594 1 5390 5606 1 1 9969 10092 9545 9578 6745 6110 1 6652 8220 8619 8397 6095 15776 14327 13168 13327 7473 7260 12072 13946 1 1 1 1 1 3704 6609 8233 9043 7324 7103 7375 11452 9471 10826 9471 1 5986 37825 37390 8091 9217 15710 15163 9109 9897 8390 8831 8470 5510 1 1 1 1 17998 16059 33573 33784 11381 12648 6137 1 1 1 10870 10217 11121 11482 1 9907 1 1 11479 9540 9997 9397 9658 1 15767 15122 8050 10474 1 1 8201 9275 8444 7758 9673 9739 12976 10693 1 12385 1 8762 7078 1 9822 10426 6621 8363 6393 7831 1 1 9495 8206 8769 7974 11363 8285 8134 5848 8635 10210 8454 12296 13433 13412 10735 10989 222.1475@1.5111045 1 1 1 1 1 12156 7337 8020 8189 9443 1 1 1 5639 1 14411 1 1 1 4585 13533 15470 1 1 1 1 12666 11516 1 1 1 8372 7519 1 1 9459 1 5600 1 1 10544 10739 10951 12618 1 5512 9936 9738 7626 6868 13122 13129 6237 1 14398 12397 11565 9977 12577 9030 8833 7386 11912 11205 11910 13386 1 8459 1 7904 1 1 1 1 1 4669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6327 1 2993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9287 1 1 1 1 8317 9419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.1455@1.5384483 10359 1 1 1 1 22180 1 1 24540 1 49011 9919 1 1 1 1 1 1 1 8570 1 6277 1 1 1 5687 1 1 15163 31938 1 1 1 9204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13312 1 40918 1 1 1 6110 1 1 1 1 1 29833 1 1 1 1 1 1 12829 12656 1 1 1 16755 14158 13343 1 8593 1 1 1 6717 1 1 1 1 1 1 1 1 1 11341 1 1 1 1 1 1 1 1 1 6684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9720 9205 1 1 1 1 1 9849 1 1 1 10432 1 12164 1 1 1 1 1 1 1 1 582.2472@1.5833334 1 1 1 1 1 1 1 1 11820 22469 1 73275 1 1 1 1 1 1 1 8070 1 1 1 1 1 1 1 1 1 1 107357 102947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94693 100202 146085 1 1 1 1 1 1 1 1 1 1 1 1 1 100580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-hydroxy-decanoic acid 26099 22525 24169 22333 49824 47118 20892 10152 1 35947 22559 18196 49582 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89761 206908 209590 33367 30204 1 1 1 1 1 1 1 1 1 1 17733 15985 115312 113208 67653 59047 121481 124614 1 1 1 1 1 1 56111 57022 1 1 1 28856 59324 56952 109238 110567 1 21632 1 1 45312 50342 101019 104813 57149 55619 1 1 78413 75123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2827@4.3786955 13208 14360 12192 12220 14218 12193 13498 13003 13367 12921 16274 15902 15667 12834 17534 12070 13550 13497 13569 12368 13049 15302 13431 12203 15318 12228 13804 12859 11640 11756 14769 14021 12915 16233 15020 10322 11223 14564 14248 13857 13038 13750 13837 12023 16075 13762 14261 12482 13633 15327 16044 12738 14854 13803 14504 13992 13906 13314 14625 14096 14015 14401 15453 14227 13158 13144 13335 13244 15050 12717 13886 13611 12998 13308 7498 13142 12824 12278 14033 9523 13572 13981 15200 11848 15330 11883 14998 12610 13192 12468 13393 11819 13274 1 11251 11340 1 12191 11598 12563 13627 14206 11694 1 11096 12836 11712 13310 11610 12493 13535 15587 11476 14080 13675 12464 14452 12971 13241 13446 14010 12542 11471 13472 13647 12486 13579 12562 14179 12560 12459 13954 13706 11686 12527 13650 11181 14735 13425 13478 12141 12766 12353 14145 570.4222@4.3772497 1 1 1 1 1 1 1 1 1 1 1 1 30867 1 1 1 1 1 1 14408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12115 1 C11 H12 Cl O 1 1 1 1 11119 10615 1 1 12331 11688 1 1 1 1 9672 9688 1 1 9873 9358 1 1 1 1 1 1 1 8143 1 1 1 1 10986 9961 11818 11702 9107 9245 1 9001 14526 14289 1 9599 1 1 10172 10411 11082 9813 13383 11829 9796 12216 8961 10549 10578 10871 1 1 10223 8974 10161 10280 11309 10443 11573 10366 11434 10087 9718 13316 1 1 1 1 10072 8123 11421 10186 9810 9440 8614 10861 1 1 10976 9952 10066 8850 10440 9136 1 9185 1 1 6664 1 9244 1 10640 1 9947 10973 1 1 9815 9026 10989 9709 9588 10385 10316 10102 10600 12200 11154 10368 1 1 10578 10473 9857 1 9623 11169 9115 10177 9876 11198 12144 9289 1 1 10341 10174 10650 9642 1 10742 11316 11831 1 1 592.9375@4.4206247 1 17724 1 1 1 1 1 1 1 10847 1 1 13635 1 1 1 1 1 23531 22302 1 1 1 9754 1 1 1 11599 1 1 16854 1 1 1 1 9734 1 1 1 1 1 1 1 1 17580 15340 1 1 1 1 1 12104 1 14317 1 1 1 1 14098 1 1 1 1 1 1 1 23790 25589 22509 14007 1 10909 1 1 1 8792 1 1 30247 29492 1 1 1 1 11770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10621 1 1 1 1 15787 13493 1 1 1 1 11813 1 16186 12718 1 19001 1 1 20627 17262 18240 16905 1 1 1 1 1 1 1 1 12188 13379 1 1 1 1 1 1 10593 1 17116 17940 1 23636 592.4355@4.4175205 27840 22353 26354 48735 1 24125 15595 1 1 17893 31647 6452 19174 25594 1 1 13408 1 36927 29532 1 1 1 1 1 1 17534 5621 1 1 1 22904 1 17258 22597 15086 1 1 23841 21423 1 1 1 20460 27893 24318 1 1 1 1 28287 18634 25941 1 4716 1 22166 1 1 26603 33016 27906 1 26249 1 23448 41526 47020 1 25249 21865 20607 1 1 18490 1 1 1 59070 45412 1 1 1 1 1 12242 1 15992 1 1 1 10453 1 17949 24162 1 20477 15067 36731 20516 1 15402 1 21661 41154 23982 1 1 1 16428 1 1 1 22494 35722 35451 3827 1 39753 37172 29578 35035 21425 1 1 16994 1 1 15459 1 24810 21877 1 1 1 1 1 1 22866 1 28255 31043 32286 35844 578.42@4.4725122 17457 17646 17658 12925 1 8817 12290 9439 1 1 16803 14623 14904 1 1 1 1 1 1 19253 8352 1 9084 11505 1 1 14731 12789 9226 1 21166 1 1 1 1 12666 14553 11180 1 13141 8314 1 1 1 20773 18148 1 1 1 1 14842 1 15806 1 1 1 11996 2781 1 11429 24376 16542 1 12098 17276 17798 25623 27526 13218 18640 17511 14251 1 9583 12408 10279 1 1 18184 14939 1 1 1 1 18362 1 1 6423 1 6467 9618 8817 1 8721 15011 13858 1 8520 1 14847 1 1 12301 13778 1 14168 10521 11630 8806 1 18064 1 15687 1 16101 17252 1 1 22645 23318 20564 18593 1 1 11104 10699 1 8476 1 1 13579 17876 12584 1 1 1 12968 14412 16060 20923 16376 18415 21601 19545 927.5829@4.501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4485@4.532909 1 1 1 1 1 1 1 1 1 15007 1 23682 1 1 1 1 1 1 1 9474 1 1 1 20854 1 1 1 1 1 1 1 31964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4881 1 1 1 1 1 1 1 1 1 1 1 1 1 18028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15108 1 5208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15219 4346 1 1 1 1 1 1 1 1 1 1 908.538@4.5251427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16520 1 1 1 1 1 1 1 36460 1 1 1 1 1 1 1 1 1 1 1 26931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18847 1 1 1 1 1 1 1 1 1 1 1 1 25365 1 1 1 1 1 1 1 1 1 1 28767 1 1 1 C41 H70 O4 23479 25073 59783 53281 51353 45548 29299 28191 61989 61882 41460 42807 65323 64008 55515 56539 58066 57134 73069 71664 29854 27781 23990 23795 35266 33692 42634 45133 23811 24545 21634 23792 55122 54785 26752 26228 27693 26310 29952 27283 33819 32645 34139 33123 48176 47139 36852 34400 32612 20818 23345 21548 21565 23629 38694 36980 52782 50809 25807 19762 42015 40193 44613 44781 36048 37945 42363 39081 24385 25613 27784 28326 29762 29980 16861 18687 31183 30284 22034 22471 16222 25641 33128 33838 16091 19328 26525 24725 22158 19616 36656 37141 29552 29180 14978 13607 43424 42812 41325 36670 33534 28646 22976 22316 23111 22493 28252 28458 25210 20492 30057 30040 30345 28611 23277 23519 20183 20222 16994 18997 34557 25940 31940 34970 31088 30861 34708 35683 52266 56089 37848 38161 20764 21179 31710 31681 19447 22270 22155 21010 29102 29022 48130 49384 PI(20:3(5Z,8Z,11Z)/18:1(11Z)) 35991 41147 105988 96750 88928 83189 47344 53493 115201 109239 78308 72685 112531 112240 102251 66704 98803 98957 135742 106795 50384 47682 40017 37414 63858 57478 73439 1 31489 29192 35260 40061 94356 93969 47453 48884 47133 52833 51141 16877 58444 58709 59610 62871 88825 81243 64936 60918 57622 35067 35869 38589 36769 37072 74712 54871 90871 86451 42930 43269 69925 71064 76180 72076 38956 62843 67733 67943 48925 46566 49623 48100 56561 59064 33916 26870 56314 58684 39051 38875 47618 44287 56241 55922 38333 34152 46159 43423 37458 36049 66919 65547 51860 49844 24921 27445 77961 73000 74191 68592 56296 52500 38940 36711 38845 38762 52114 51970 39409 38426 50635 56047 47418 47305 39567 38564 22042 34033 31981 31210 60260 58478 52886 55490 50007 56009 61172 61928 96230 53029 69727 64655 33811 33824 54951 34470 34616 38452 35471 36065 29093 42958 78864 87001 592.4355@4.5043 1 1 17480 1 1 1 1 1 1 1 1 19069 1 14420 1 1 1 1 16371 10421 1 1 1 1 1 1 1 9602 5987 1 1 1 1 9265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8483 1 1 1 1 1 1 1 1 1 1 14834 1 1 1 7867 1 1 1 18795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10077 1 7896 1 1 1 1 1 1 1 1 1 1 1 12497 1 1 1 1 1 12827 1 1 1 1 1 14770 13845 1 1 1 1 1 1 1 1 1 1 1 6498 1 5889 1 1 1 1 1 1 1 1 1 1 1 1 1 Astrasieversianin XVI 6362 6307 17146 16802 14635 14731 9583 8486 19345 15702 12461 13385 18974 20206 17272 16228 15606 14253 21132 12349 7973 8518 6304 6636 11343 8652 14117 1 7583 7528 6532 1 15631 16902 7226 8252 8014 9505 9855 1 9729 8525 1 9748 16673 13765 12107 10124 12168 5895 6861 5933 6708 6304 13635 11190 14366 15685 7671 8187 15391 12373 1 14298 1 12908 10768 12290 8348 7443 9191 9231 11137 10149 5813 5595 9824 10126 6995 1 7396 7971 12249 8904 7136 5252 7894 8187 1 6054 10863 11329 8023 7727 4434 1 14019 13117 13058 12580 10734 9759 7010 7280 7704 6747 8461 9291 6711 8186 10017 9172 8812 8589 6127 6787 1 1 4508 4885 11239 9586 9968 9932 9640 10511 12618 12212 18152 18087 10064 11317 6000 5846 10768 1 6182 6666 5973 7460 1 8054 16899 17689 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 1 9801 18171 18849 11791 1 11132 14519 14659 14838 13440 16254 14905 16969 19185 18477 29387 22490 35909 27017 8624 1 27502 15644 1 9443 4073 14524 8952 13396 5756 9548 21059 15136 12732 14451 21862 26380 16243 13295 10256 8417 17264 8947 17218 25455 18093 15824 23911 16149 7998 6527 10719 7558 5040 4637 1 1 1 6152 27534 20794 24498 22695 1 1 1 6169 14277 16442 14845 18741 5030 4127 1 1 11039 8169 10593 10093 14226 12505 17217 9983 14721 14142 1 9278 10029 8927 24984 29278 40108 44736 1 1 15369 8944 14226 12153 9646 9625 10580 1 27525 17368 20743 24998 23750 19820 19008 1 1 13216 21649 19972 22963 22356 6419 1 10680 11593 12010 6366 19083 21586 16914 25810 11597 17217 14572 20500 5960 3945 27043 26317 17898 14179 4697 1 13079 1 1 7489 598.4957@4.5551744 1 1 1 1 5475 1 1 2734 1 7077 5595 4527 1 1 1 1 5012 6039 10784 9441 1 1 1 1 1 4369 1 2366 1 1 1 1 3930 4343 1 1 1 1 1 4017 1 1 3068 1 1 1 1 1 1 1 1 1 1 1 1 3484 1 1 1 1 1 1 1 1 1 3513 1 6214 1 1 1 1 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3130 1 1 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7071 7427 858.5243@4.5554705 1 1 1 1 6216 1 1 1 7905 7287 5497 5607 1 1 1 1 6659 5980 12036 15207 1 1 1 1 1 4035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4181 1 6308 6314 1 1 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7087 8247 614.9502@4.572815 1 1 1 16689 1 1 1 1 12178 1 15071 1 1 1 1 1 1 1 26653 14184 1 1 1 1 1 1 9328 1 1 1 14725 1 1 1 1 1 1 1 1 1 1 1 12147 1 1 1 1 1 1 1 1 1 14349 1 1 10191 1 1 1 1 1 15520 1 1 1 1 26394 26711 1 15232 1 1 1 1 1 1 1 1 33681 25032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9950 1 1 13414 1 1 1 1 1 1 1 1 1 11539 1 1 1 1 1 1 1 1 27183 22014 18923 1 1 1 1 1 1 1 1 1 15322 1 1 1 1 1 1 1 1 1 23940 18442 19406 27544 614.4491@4.586261 34953 1 28470 50109 1 15248 9988 1 34967 9395 1 9202 1 39941 1 11612 1 1 54605 29686 1 11919 1 9741 1 1 1 1 10001 1 1 10999 1 19138 25386 1 20344 1 1 1 13692 1 1 1 41526 36040 15786 1 1 1 1 1 23569 1 1 1 1 1 1 20382 29903 45387 1 1 18393 1 56269 44490 1 25607 23555 1 1 1 1 1 1 1 54383 45483 1 1 1 7081 1 1 1 1 1 1 1 1 1 1 1 17518 1 1 1 24716 39445 1 1 1 34914 1 16216 9472 28884 22882 1 17362 33999 28444 36947 35246 1 1 42162 33906 46948 44219 1 19654 1 1 1 7054 1 12525 26456 22545 13029 17226 1 1 20700 20467 1 1 25123 38419 48417 32025 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 13841 12325 29052 31033 26510 16554 13762 12918 18215 1 17788 16098 22239 23971 24894 27189 35622 38037 56278 51032 10497 9694 20817 22577 28916 29371 27301 36782 16292 1 11424 11056 31288 1 16653 12124 31868 28570 16180 17195 21547 19027 17512 24233 34606 28603 33534 24471 28583 18694 12765 11719 16303 12279 13682 12465 1 14781 1 1 1 13980 35290 27453 8247 11131 11343 9666 25213 16577 20530 18100 9480 10624 1 1 20319 13426 13403 10426 1 14541 23548 1 22482 18719 15482 12354 15712 12037 49047 42542 55891 47493 12298 13837 24838 22227 18753 1 26084 19692 16129 15222 30448 24009 37508 1 27638 23934 18821 19127 27608 26791 31882 27968 31452 29311 10126 3021 14338 13206 12414 12415 21495 20907 27212 18356 20949 15059 25297 18577 14728 18919 34870 23351 28080 28647 12458 1 25961 23259 18904 23482 PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z)) 17288 16564 43338 41162 27977 27575 14975 18072 66290 33501 80655 67263 80756 31074 37714 25708 62991 59990 57299 73526 11511 13494 90701 48453 30564 104396 62796 38708 51500 19519 32746 12275 89245 77733 59725 51701 120050 129459 56374 47069 64378 55574 69824 59466 40398 32587 80628 85629 102013 37151 32780 35925 59509 44566 15238 51054 17467 13595 31953 7807 81834 52273 93673 82607 33895 33361 16073 40865 30815 34923 25519 71630 9941 15723 7947 7202 20909 24894 67491 26015 20251 19678 40659 37137 45703 75438 16666 40307 17329 9112 167142 148117 219060 77434 12078 13484 45157 26558 79560 69293 32630 31391 26883 26755 104988 83861 53543 40622 69401 36130 27593 28794 54011 37896 78275 81122 82511 83277 35959 31116 53129 20041 43234 34879 82497 81320 75035 85144 20022 22564 27724 30962 19341 24629 69320 76187 127845 127956 16688 18582 44880 33550 29475 64992 PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) 41543 44907 52452 47456 70658 42316 36397 34047 1 1 1 1 1 74410 56248 64097 61138 63077 101709 81608 36836 38300 1 47607 62003 1 1 40921 1 39242 1 34950 1 4179 1 1 1 1 1 1 1 1 1 1 39015 51470 1 1 1 61125 1 1 1 1 49281 1 41940 50785 1 12520 1 1 1 1 1 1 30677 1 53119 44371 38055 1 32473 29262 14381 1 48188 56602 1 31801 45455 38915 42460 27553 38690 1 1 1 43706 23925 1 1 1 157571 31598 34759 48233 57415 1 1 44203 39663 57691 57767 1 1 60708 57902 1 42559 63027 42943 68279 91248 1 1 1 1 1 1 1 40094 1 5193 1 1 1 1 60883 55529 55339 64705 41080 28447 110066 97902 1 1 39712 43282 62971 72868 39404 1 793.4982@4.586846 1 1 3479 1 1 1 1 1 1 1 1 1 1 8157 1 1 1 1 1 5278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14865 1 1 1 1 1 1 1 1 1 2946 1 1 1 4790 1 1 1 1 6472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5883 1 2336 1 6568 1 5214 1 1 1 6656 1 1 751.5502@4.605583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28393 1 1 1 1 1 26249 1 1 1 1 1 1 1 14723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10509 24760 1 1 1 1 1 1 21194 1 1 1 1 1 1 1 1 13209 1 1 25205 1 29603 1 1 1 1 1 62279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13855 1 1 1 1 1 1 1 1 1 46067 600.5101@4.605222 1 1 1 1 1 1 1 1 1 1 5686 5648 1 1 1 1 1 1 1 5598 1 1 1 1 1 1 1 1 1 1 1 1 5249 6127 1 1 1 1 1 1 1 1 1 1 4895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4208 1 767.4859@4.6149163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 1 1 1 1 1 3755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2663 1 1 1 1 1 1 5141 5435 5902 5697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3727 7095 7211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3590 1 1 1 1 4752 1 1 1 C38 H71 N6 O5 S 27018 30611 60002 50986 61766 57378 23974 16575 34708 33097 37203 12577 43362 45279 34384 33923 53623 45104 65959 67638 21858 23509 34567 34045 45498 57703 31254 35227 21301 20536 19062 19908 23206 30121 19674 18498 41891 1 27371 29311 36879 39394 37190 40579 23073 18985 1 1 1 1 15221 17093 29330 28925 29643 27795 26364 29768 10173 9569 25472 23434 33668 14153 9101 9473 14068 12954 37094 36390 28249 30742 32861 27282 10719 12037 47494 47162 42900 14564 37223 35183 40746 42434 1 24445 18692 21172 22128 27464 86790 57427 92524 63498 26791 25562 37233 38244 34788 35925 48319 42541 51239 55756 1 38743 48924 51970 30072 30038 54072 60567 102063 103035 23197 22770 27756 27762 19720 19079 34672 31400 27955 26431 27798 27323 25200 26926 45141 47709 53590 54728 27822 27209 64432 67855 46473 67992 31822 32422 60448 1 36078 43839 C24 H49 N5 O3 S2 7682 8452 51088 53380 63136 65542 10157 11579 7574 10127 12720 13474 18861 22800 9813 13726 11878 10108 16580 13714 31676 32020 7019 9359 10661 11172 13046 18686 20552 20772 6495 8947 5030 9101 8226 11561 1 6699 7962 11590 1 1 1 1 8535 12007 1 9120 1 6327 7112 7429 1 1 14135 17001 1 5863 1 7195 9066 13300 1 1 1 9890 13365 16270 1 9233 1 1 7863 8039 14109 14697 1 1 9009 10010 8149 7453 1 1 1 11407 1 6393 20841 21182 1 6970 1 10264 18967 11067 22486 23012 7203 5545 1 1 8263 5886 1 8340 6718 8647 4970 1 9760 11486 5848 1 15894 17328 8472 8886 1 8587 9682 13264 1 8048 16354 16129 54252 52151 1 6246 1 1 1 6927 1 7233 1 1 1 6710 9804 9577 1 1 600.4328@4.6175485 1 20464 1 15255 19682 1 1 1 1 1 31006 1 1 1 1 1 1 1 38929 18697 1 6422 12450 8232 1 4411 1 1 11785 7533 1 1 13415 1 1 1 9126 1 3194 1 1 1 11591 13644 16227 20112 1 1 1 1 13171 11433 20672 12791 12617 1 4891 14562 1 11985 19319 1 18206 1 20547 25149 28929 25099 22383 13453 1 1 1 1 13393 1 21448 1 17695 17576 1 9347 1 13656 1 13852 10439 10492 1 1 1 1 1 1 21721 1 1 10226 20228 1 11624 12141 1 13909 20951 14243 1 1 14196 1 1 11464 13128 19541 1 19075 1 13588 25200 23292 30150 1 1 1 25547 10762 1 11444 9132 1 15652 14222 1 9379 1 1 1 1 16658 1 22633 27364 28807 27832 389.2422@4.6252093 17512 19266 20585 26537 26427 10492 23855 25633 16140 1 8873 6622 1 17270 53171 53473 10545 21549 8889 9537 12471 12683 1 1 14000 23539 19057 22478 9416 9327 16888 17345 30926 30269 8630 6639 15870 15620 1 9151 31961 28030 55879 59114 11052 10972 30081 29762 1 6455 20080 21794 19437 17780 53168 50816 19156 20585 21086 20072 76489 1 20889 19659 46529 41762 4909 1 1 10038 20361 1 13679 10025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49586 45835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 862.5561@4.623509 1 1 1 5951 1 1 1 1 4941 1 21654 10388 1 9499 8831 1 8885 8701 15768 15265 1 1 1 1 1 1 1 4838 1 1 1 1 17575 16548 2424 3952 1 1 1 1 1 1 1 1 26025 19657 4958 7661 7852 1 1 1 1 1 8871 1 4353 10471 12178 14721 4154 1 1 1 5903 1 7552 10322 1 1 1 1 25780 11903 1 1 1 1 1 1 1 1 1 1 1 4021 2757 1 1 1 4190 6605 1 4648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5666 1 1 1 5777 5852 7194 3722 5924 1 1 1 1 1 9788 15032 1 7703 1 1 6934 1 1 1 4328 5397 6481 1 1 1 1 9400 10881 602.5277@4.6245446 7753 8777 8724 8597 1 5760 4444 4301 10872 12406 25970 23710 12327 11255 10147 10680 11603 10078 21804 22519 6336 1 6319 5763 11101 8515 10040 10295 1 6194 5099 5146 20863 18173 8516 9134 1 4480 1 5796 8685 9866 8466 9342 28904 28002 15752 14009 11625 1 1 4385 1 1 11998 8133 12326 11435 18193 14966 10384 8577 10226 9654 8380 8728 14797 13267 6743 4717 6529 1 18214 19485 6925 6373 1 5135 1 1 1 1 4590 4487 7148 6017 1 4766 1 1 12208 1 1 7556 1 1 5005 5138 7488 7912 5772 5658 3548 1 1 3363 1 5553 1 1 10439 9522 5633 1 10933 10104 8718 9212 7359 7898 9899 9153 8466 9198 12489 12850 15197 18009 12653 15147 10314 11198 4954 7137 10254 12205 10385 9839 3479 1 1 1 1 15065 791.545@4.632787 9858 1 39014 30454 19941 17782 9121 9289 13834 12675 1 30626 19736 18688 22418 18069 35936 21870 31797 32831 7446 5489 1 5725 9015 7738 17655 20714 13356 14497 1 1 34538 30287 14999 5846 16040 17341 13817 13693 1 1 8821 11981 23284 24156 15550 1 17715 9824 4466 1 7786 6841 11303 9726 1 1 1 1 20946 24103 1 33328 15752 12957 14860 7076 13964 12482 14931 13372 6837 6208 1 1 8268 6236 7016 6784 5271 5931 11614 11835 6994 7593 1 1 1 1 15122 13038 11437 13840 1 1 19194 14011 14642 14586 1 1 1 1 9699 10470 21789 18291 15558 14254 1 1 1 1 10011 8655 12631 14016 1 1 6762 7764 9568 8647 7234 6483 9138 9089 7864 1 7934 7073 1 3832 7841 7070 13422 14123 1 1 6020 7301 25022 20876 751.5507@4.6252985 41815 42730 91170 84650 94483 82193 1 27648 45888 1 31947 1 62123 77307 39162 55765 66789 73911 101738 80164 41732 39762 43414 29712 79169 57397 58070 29296 1 44086 38976 31744 45861 33753 17812 13753 43384 38526 33332 26954 54856 54716 42520 54041 41882 40277 22805 15622 37892 1 23217 23966 29327 1 61156 43985 47011 65635 1 11463 28092 1 34162 23431 11753 15348 24377 14063 37114 21438 33789 20677 58346 55344 1 13626 74427 65615 42463 29992 20554 48726 47011 1 22689 16980 33143 1 50739 31326 101450 70713 95981 100766 54180 47932 1 33455 43298 19329 64177 1 52556 54871 62749 64063 72209 6854 47010 52475 53638 70466 92372 113172 38105 38031 33398 26269 23004 19009 39101 36807 24448 21021 33850 32829 33658 23337 77146 59371 78691 75993 56906 35784 67899 51465 61759 67970 36728 23489 93550 88356 42672 1 PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) 55222 49710 76604 73850 61735 51896 34033 34643 40034 26661 120649 102107 60164 64805 85080 86487 66116 79801 74149 66135 38671 36123 40583 35950 46044 38834 55045 58205 35458 53238 20148 19060 98454 94919 55571 49331 57192 49019 64934 60537 36423 29540 32930 39240 67075 66693 57485 60430 39871 28630 21536 18843 28681 27259 42044 19971 25477 29595 6284 3367 38513 60837 75339 64959 47579 49696 85124 78010 54405 27437 52934 45936 14849 21953 6646 6088 41044 40029 30895 25326 31572 21900 37237 33406 34229 25848 12556 7991 16430 13760 57577 51374 46795 57452 1 1 43640 51755 41008 42207 13985 8016 9895 10178 27059 27325 74478 74447 66416 61249 19441 21175 13686 20176 35049 31951 45590 45953 1 6490 40664 46611 48039 45803 33352 33314 38492 37937 26707 12981 28201 21621 14038 7751 37302 29251 48215 52383 26078 17727 20010 20563 53526 56470 807.4789@4.639 1 1 1 1 1 1 1 1 1 1 6644 5539 1 1 1 1 4208 1 1 2743 1 1 1 1 1 1 1 2387 1 1 1 1 4590 5418 1 3222 1 1 3529 3246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 1 1 3473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 5578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4969@4.6473637 1 1 1 1 1 1 1 1 1 4289 6684 12008 1 1 1 1 1 1 7181 8010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4098 1 1 1 1 8514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10332 10827 834.5232@4.6465 1 1 1 1 1 1 1 1 1 1 8587 1 1 1 1 1 1 1 8348 7098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 1 576.5108@4.65775 1 1 1 1 1 1 1 1 1 1 5548 1 1 1 1 1 1 1 7522 7627 1 1 1 1 5495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4587 1 1 1 4839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4002 1 1 1 1 1 1 1 1 5445 1 1 1 1 1 1 1 1 793.5619@4.6635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 4720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.5155@4.6666574 20377 23898 25067 22092 29478 28817 11594 13546 18948 19444 41381 41894 25117 27710 27125 26434 23766 26361 27668 24363 15849 16331 13927 13624 23672 23501 25712 23839 15168 13053 8923 8095 22389 23442 13132 12325 11269 11261 19711 20594 10609 9261 13705 15181 18617 20221 10344 7471 7120 5174 1 5637 1 6841 19900 16510 14059 14220 5337 5084 14113 15111 16960 13520 16522 17448 28546 37306 12189 11111 11099 10690 15962 17825 1 4891 17625 20391 11634 11602 10129 9484 13291 13264 1 4026 5662 6153 1 8134 14852 14074 11145 11095 1 1 18258 20218 14931 12842 5376 4764 3785 1 6965 6585 19814 21267 15100 14698 7403 10194 6096 6125 5311 4742 6078 5241 1 1 13697 12121 16790 13536 12846 12433 13495 12348 11330 11300 7017 7674 6026 5791 11224 12042 15957 15116 10299 9350 8259 9091 23479 22009 PE(20:2(11Z,14Z)/18:2(9Z,12Z)) 58378 50535 28437 69327 84674 78347 33044 37484 57888 41026 61065 43010 80733 76612 69751 74362 57871 55063 64423 61399 32625 25188 26109 1 44999 44241 62314 70652 25025 36407 17836 16927 57761 62698 25434 13196 26005 30676 30758 19582 33681 24804 37340 24902 47919 53759 21145 19935 20391 11554 12424 1 16657 12816 47590 40940 44906 41510 16859 15232 1 45455 43430 41324 38107 35809 50295 53797 24713 32242 32480 32439 28256 34760 1 13013 44671 38505 21718 24671 19562 21360 34143 34686 11059 11880 12540 1 18032 17177 41560 1 32516 34508 7826 6643 55352 52237 33335 28579 17046 15280 11070 10409 21416 16754 41534 38323 28243 31393 34599 30806 22810 26030 10993 12393 15581 9931 8930 8597 41908 35704 32106 36770 25610 21216 23539 22346 47804 41597 31908 11807 17138 10938 24819 22019 34790 35925 21981 23385 26462 27828 56146 53368 725.5348@4.670012 1 1 11764 9078 10122 11123 1 4745 4796 1 11575 9472 14366 12982 1 13414 1 9675 21422 20061 1 5945 8175 1 1 12969 9763 8701 1 1 1 5731 1 5005 1 1 1 8639 8743 7222 1 1 6684 9611 1 11755 1 1 6892 1 1 1 1 1 1 9371 14134 12243 8018 8521 1 1 8701 1 1 1 4839 6400 5916 1 1 1 7144 8592 1 1 5831 5842 1 1 5941 1 7279 1 1 1 5421 1 10005 5380 18828 12869 23262 26458 1 1 6615 7091 11316 9986 1 5652 14567 1 11348 9775 12244 10760 4463 1 17388 12753 21372 1 7520 8580 1 1 5244 1 7425 8167 1 1 10799 10950 10976 9020 10612 1 1 12359 1 4146 17692 12991 1 1 1 1 14652 13075 1 11430 191.1526@4.6789494 22338 22154 208486 210167 31818 36051 73322 78021 52466 54584 38875 41864 29709 28859 29387 28967 29849 30365 19648 21184 20917 20567 33094 34241 37811 36142 38561 40214 29246 31193 24975 26695 25251 25141 41474 48467 36812 36053 27737 23606 28599 29575 30732 33912 84276 90368 38169 32912 30992 31051 28691 29949 31520 27995 36250 38906 37046 34081 62317 63236 29117 27949 50016 50448 46885 46645 95983 93097 62173 64683 31323 32464 36165 33985 32043 28894 37603 35787 36049 31914 37447 37494 48999 50711 41806 40494 46411 50352 33030 32004 29067 28713 32821 33730 28447 27410 26732 25222 52605 53395 34040 36689 55490 55260 44778 43171 34671 34491 39390 38988 24614 26216 33511 31139 73567 76844 44194 40343 40550 42625 33704 36737 30679 30768 29048 32918 26667 25472 45865 41790 30443 35142 79365 79026 47652 46498 25840 1 41704 31894 34633 32590 32734 33085 753.5642@4.681444 1 1 5166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5405 5334 1 1 1 1 1 5113 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 2587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7932 1 1 1 1 1 1 1 1 1 1 1 1 3816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.4332@4.6832857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8738 1 1 1 9036 1 1 1 1 1 4148 1 1 1 1 1 1 1 1 1 1 1 1 10423 1 1 1 1 1 1 1 7147 1 1 1 6561 1 1 1 9472 1 1 7448 1 7773 1 1 1 1 1 1 1 1 1 1 6584 1 1 9460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5603 1 1 1 6034 1 1 1 1 1 1 1 1 1 1 1 8842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.5224@4.701878 1 1 4125 1 1 6591 1 1 1 1 1 1 1 1 5598 7366 1 1 11110 10187 1 1 1 1 8154 8651 1 1 1 1 1 1 3451 1 1 1 1 6505 1 1 1 1 4638 1 8581 7013 1 1 1 1 1 1 1 1 6139 5849 1 5869 1 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 5941 1 1 1 1 4360 1 1 1 1 4681 1 1 1 1 4750 1 11561 9379 11031 15558 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 1 1 1 16651 17933 11854 4716 4582 1 4699 1 1 1 5190 1 1 5458 1 1 5371 4105 1 1 6821 5462 1 9292 7381 1 1 1 1 1 1 7749 1 C40 H76 Cl N5 O3 S 14155 13008 8230 1 13933 1 6671 1 7433 1 19067 14281 12117 10449 15925 14628 1 5546 11247 7781 8946 8873 6835 5581 8980 6321 8968 8924 4550 1 6087 1 14109 15011 9950 6866 1 1 1 6563 1 1 4241 1 21160 19632 1 1 3091 1 1 1 1 1 9452 7527 7093 5760 10741 10718 8907 7602 7123 7164 1 5256 12132 11134 1 4203 4735 1 16611 16109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7998 7732 5088 5006 1 1 6139 1 1 1 1 1 1 1 1 1 1 3979 1 1 4350 4826 1 1 1 1 1 1 1 1 5745 5704 4967 1 8599 8609 8358 8355 5964 5905 4423 1 1 1 3809 4042 4883 5961 1 1 1 1 14409 12735 636.4616@4.719447 1 43811 39249 44369 1 1 1 1 46281 8587 44611 25439 41172 49165 1 1 1 41331 60289 23781 33176 10807 5632 15625 1 9917 22198 13383 1 45400 50908 50266 39121 14624 45000 5792 37740 1 1 18959 1 1 36321 1 54978 35057 38525 1 1 41060 22632 1 43156 26608 36086 11705 40778 44009 29493 6018 39562 33642 1 1 28836 1 51001 40947 53252 35790 37548 1 1 1 12848 1 28266 7393 56738 41573 6972 14420 48609 13404 46452 3320 11544 1 28619 1 12359 1 31778 1 41173 23922 17034 11726 1 1 20608 13073 34336 31019 1 24103 42416 1 45383 1 42084 20731 1 36817 37614 40447 1 31987 53297 1 35780 56431 53096 1 35129 1 42068 14312 32540 9357 29619 22223 39212 9794 1 5973 1 29026 51317 37684 45310 44070 46341 59915 636.9633@4.718175 1 20527 24886 29582 1 1 1 1 1 8758 1 16882 1 1 1 1 1 1 33147 18618 1 1 1 1 1 1 1 1 1 1 1 1 1 5668 1 1 18502 21684 16635 11918 1 1 1 1 1 1 1 1 1 1 1 1 21862 1 1 8056 1 1 1 1 23442 1 1 1 19858 1 29880 25621 22655 1 28592 1 1 1 1 1 1 1 35786 11788 1 1 1 1 1 1 11771 1 1 1 1 1 1 1 1 12964 1 1 1 1 1 1 22562 1 1 1 23725 1 1 1 1 1 22854 1 26530 30412 1 1 34350 11363 29473 31520 26763 1 23453 1 1 1 1 1 1 1 1 1 1 1 1 14524 1 1 26016 27156 30864 27758 271.2516@4.7285004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19234 18839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.3036@4.73 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9208 7900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.5464@4.7463574 22043 1 1 1 26188 1 1 1 1 1 1 10443 1 1 1 1 1 1 1 8662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53639 49252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11166 1 1 1 7191 1 14738 1 1 1 1 1 1 1 1 1 1 1 8312 1 1 1 1 1 1 1 1 1 1 1 1 1 14528 1 1 14117 1 17153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.4752@4.7603335 1 1 1 1 1 5490 1 1 1 1 1 1 1 1 1 1 1 1 1 5490 1 1 1 1 1 1 1 16081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4699 1 1 1 1 4371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10145 1 1 1 1 1 4430 1 1 1 4043 1 1 1 1 1 1 1 1 1 1 1 1 C39 H77 N3 O2 S3 9909 10900 8821 9407 16063 9807 1 3726 10848 7661 21754 20443 15477 12090 13130 13812 7954 7793 14041 14685 6228 6306 1 4141 7296 7762 9397 7499 5111 1 1 1 11712 11613 6385 6011 5211 5184 8162 7736 1 1 1 1 17420 17172 1 2990 1 1 1 1 1 2691 5986 8156 1 6498 1 4716 7518 7171 8757 9277 6063 1 16847 15476 1 1 1 5070 14120 13900 1 1 4233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5611 5268 4639 1 1 1 5779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6788 4463 5888 6170 1 1 1 1 1 1 1 1 6180 1 1 1 1 1 16811 15525 C41 H81 N3 O2 S3 1 17767 18466 17228 1 18254 1 1 18430 13133 31201 20220 21565 23215 26628 31881 16823 16875 29791 15990 1 1 1 5380 14874 1 14707 13919 1 8088 1 1 27760 1 1 5997 1 1 13892 10370 7268 1 11450 16072 1 1 1 1 1 1 1 1 1 5919 16321 11828 12590 12930 14488 1 23919 17944 25724 30145 14993 1 23028 1 1 1 1 1 27223 28530 1 1 1 9058 1 1 1 1 1 5946 1 1 1 1 1 4430 13974 1 1 12288 1 1 1 1 1 7551 1 1 1 1 9721 1 1 1 1 1 1 3333 1 1 1 1 1 1 1 1 9963 1 1 7878 1 12069 13286 1 19598 1 1 1 1 5611 10440 1 13138 13442 1 1 1 7597 38477 33272 622.9472@4.7591114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13572 18907 13292 1 1 16224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15081 1 1 1 15026 1 622.4461@4.754372 1 7948 1 1 24888 7967 1 1 1 8173 29821 1 31216 1 1 14187 1 1 1 20463 16020 1 1 8450 1 1 1 1 1 25477 24797 1 26762 1 23481 1 15116 19725 1 1 4913 1 23678 1 27617 1 5011 13947 1 14052 25014 25105 21673 17219 1 7369 29278 1 1 5010 33813 16887 1 1 21590 18799 30856 1 27321 10779 23440 1 6677 18235 14885 1 1 1 31498 17710 1 6589 1 11921 20929 1 1 1 13166 1 1 1 13103 1 21935 14532 6507 1 28552 10517 26683 7247 1 1 23402 17766 18966 9694 19741 8578 19647 7223 23379 1 22745 27402 1 12320 29326 26809 1 31150 1 1 22316 14942 1 9008 16913 8967 14588 1 9863 12101 14686 7411 21127 20316 17562 34049 1 28859 24631 35824 658.4745@4.793294 1 1 10531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8512 1 1 1 1 1 5825 1 6720 4731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6933 1 14343 1 1 1 1 1 17640 1 1 1 1 1 1 1 1 1 1 11653 1 1 1 1 1 13431 1 1 1 1 16963 1 1 5343 1 1 8076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9069 1 1 1 7350 1 10223 1 1 1 1 1 1 1 1 1 1 1 11357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.4456@4.792692 1 26538 1 1 1 1 1 1 1 1 1 1 1 1 8093 1 1 1 1 5375 1 1 1 1 1 4981 7227 1 1 1 1 1 1 1 1 1 1 1 1 1 12620 1 1 1 1 1 7211 1 1 1 1 1 1 1 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6777 1 1 1 1 1 1 1 1 1 8130 1 1 1 1 1 1 1 1 1 6137 1 1 1 1 19974 1 1 1 1 1 1 1 1 1 1 1 658.4754@4.846963 41160 52795 44021 43802 45035 14743 41568 47363 51087 17367 45856 25332 47131 34246 29599 1 45050 1 47941 39549 1 20439 1 20773 36299 13410 21570 10207 1 44003 47115 41182 1 15999 43010 1 1 1 1 1 38276 38943 37299 41658 47166 41378 34791 36655 48987 31790 37779 36896 45253 14053 50329 16342 29401 28854 52782 14771 40459 19783 1 45214 1 1 59835 33982 37256 1 45144 21241 23067 1 9759 1 45606 1 50813 45907 9739 12264 37504 8321 43333 1 8666 1 35889 13351 35231 1 29492 33195 40378 1 11853 1 1 29301 1 17583 1 30275 43657 25884 37619 17871 35635 8411 37413 8522 36710 1 45059 32851 39472 1 45387 35949 45157 44912 1 20030 1 1 1 18096 35065 15595 20754 1 42690 8284 32351 1 33730 46825 41773 40750 43153 1 54878 42547 449.3142@4.845521 1 1 1 1 6215 1 7078 6467 3281 3316 1 1 1 1 1 1 1 1 4193 3942 7001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15051 9886 1 1 1 1 1 1 1 1 1 1 4138 1 1 4298 1 1 1 1 1 1 1 1 1 1 3797 1 6136 6196 1 1 1 1 1 1 1 1 1 1 1 1 2270 1 1 1 1 1 1 1 14771 15723 4728 6544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5845 4860 1 1 1 1 1 1 1 1 1 1 1 1 1 3887 22050 21706 658.9768@4.844018 24032 1 1 28028 30504 1 32450 1 1 1 30087 1 1 1 1 1 1 1 1 24488 1 1 1 8450 1 1 13789 1 7709 26971 25937 30467 26592 7177 1 1 1 23282 29377 1 23632 1 1 28305 31145 34953 1 26502 1 21109 28425 25975 1 1 19786 1 1 1 1 1 24908 1 1 1 23436 1 1 14824 33886 1 27206 18257 1 1 1 1 1 1 29971 1 1 7221 1 1 1 1 1 8435 1 1 1 1 26016 26041 1 1 1 1 28111 16807 24725 9595 1 1 35162 1 1 1 19652 1 1 1 28026 1 24579 1 1 1 31991 24785 1 33138 26479 7407 1 30145 1 1 1 1 1 1 17853 15400 1 1 1 1 1 1 25310 1 37545 37671 191.152@4.8565664 7880 1 63589 62243 1 1 13412 1 1 1 1 1 8059 1 1 1 1 11445 1 9818 1 1 10505 11685 1 1 11792 1 1 1 1 1 7827 1 12563 1 1 10170 1 1 1 10266 1 13002 30028 29342 1 1 1 1 1 11020 1 1 14586 11362 1 13530 15987 11710 1 8300 14838 14810 12735 1 17176 20426 13709 11236 1 1 1 8863 1 1 1 1 1 1 6683 8635 1 1 1 13787 1 10694 9950 1 1 1 1 9107 6886 1 1 1 1 1 1 1 16815 1 1 13229 1 1 1 11569 1 1 1 1 14055 14458 1 1 9817 1 1 1 8403 7001 10850 11732 1 1 12508 1 1 1 13627 12421 1 1 1 1 1 10974 1 1 1 1 644.9603@4.87575 1 1 1 1 1 1 1 1 1 1 17162 1 1 1 1 1 1 1 1 3515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14245 1 1 1 1 1 1 1 10650 1 1 1 1 1 1 1 1 1 1 1 1 17978 1 14956 1 1 1 1 1 1 8169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16664 1 1 1 1 1 1 1 11149 1 16718 1 1 1 1 1 1 1 1 13395 1 1 1 1 1 1 14929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4598@4.8714805 31725 24760 27459 24832 22206 4200 24175 21516 22766 12968 26503 1 26731 4621 17099 24888 1 1 27701 18089 22466 1 16999 15673 1 9579 1 6631 4831 21301 26254 21793 24008 7787 26627 1 20145 18114 1 7315 1 1 18203 26418 1 26807 24553 20636 16962 1 25076 1 1 1 25773 8816 16255 1 22820 18391 13811 16221 20659 22553 20878 20828 30760 27312 29702 18833 22036 1 1 1 15727 2969 6510 1 22752 13951 1 3461 22933 15974 26238 9747 4024 19711 1 1 20736 1 21563 1 18492 16937 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 801.5662@5.7408333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 1 1 1 1 1 1 1 1 1 1 9427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.0291@5.7320256 32726 27782 22882 21654 24420 24314 17406 15441 18854 19642 1 15763 17167 16082 13840 12703 14051 14026 13691 12844 14742 13340 15265 13493 14522 1 17001 16836 12277 12860 21189 22389 19515 18789 16005 15982 18142 18921 22650 21486 14969 15766 17842 20427 25856 27356 20544 22366 19903 18013 16351 13492 19465 18911 20421 18941 20579 21270 21737 20500 15687 15776 18137 17494 26127 25925 24162 24250 16330 15210 18791 18907 18410 19431 11547 11167 25161 24830 23032 22384 20565 20962 21808 21901 23717 23446 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264941 266002 235045 241822 228957 236452 241895 242498 257695 268327 247852 247828 241798 1 211019 214029 255968 264538 229096 151612 236035 229968 245020 244219 253489 259786 190006 183124 237763 234254 242917 247216 252328 265810 244750 253080 276713 271306 268483 271623 295271 296729 260937 261496 268541 276192 235657 243418 253788 248051 247230 252716 250854 252966 170464 166899 265899 257541 252762 255141 271373 268947 276922 272405 288047 281869 823.5492@5.7872105 165817 180418 208145 204041 207092 192010 162195 161593 1 1 213399 1 248661 271743 324154 308711 285387 275796 333100 344161 178055 169364 1 195456 251296 235112 263705 1 1 211041 1 1 1 278856 177956 169372 142303 151603 133955 135453 1 202424 185915 183947 1 349825 173081 1 153369 1 1 124563 1 131192 1 1 1 1 1 166625 151286 1 180073 1 125810 1 1 1 1 1 184221 147252 185373 1 69005 77043 115332 111394 91849 84750 1 92237 133432 1 1 1 136637 1 135540 121782 1 165398 160144 154957 142848 127666 1 1 1 142935 152442 1 130496 1 1 1 153408 13025 156029 132667 1 1 168267 168212 1 1 1 152108 1 1 157458 143725 138962 15195 1 1 1 1 1 195278 166081 142300 137451 1 1 14549 158205 1 122360 1 143206 1 1 235611 289.8404@5.790417 1 70290 76625 80743 63694 67206 74059 75771 78437 78392 58351 64035 63936 66718 58197 62095 72323 1 58378 61621 58126 62704 72589 74340 67308 65671 58634 52869 54114 53268 80737 76355 68866 63140 74044 78429 1 55167 54555 55093 80471 82445 51240 1 1 64607 61650 63773 52715 54072 71091 72448 65483 65994 57126 57777 1 64439 46970 1 59187 56633 58401 60436 67314 1 59632 59427 63663 1 64263 63246 39690 1 1 1 51741 54485 62784 62411 51714 47812 1 1 58624 1 1 1 54751 56359 52201 1 46774 1 57520 60116 1 1 1 51840 56431 56026 59906 1 1 39315 54469 51411 55549 56186 62357 63217 57815 59345 60772 60685 56965 59320 69786 70239 58902 61372 66456 63689 1 57075 54968 59383 59359 58829 58578 58235 1 40790 56929 61938 58528 57578 66785 65905 1 67028 73845 71152 PG(18:1(11Z)/20:3(5Z,8Z,11Z)) 1 1 1 63189 94024 83622 65960 1 123443 116858 55718 60707 58431 1 1 53055 129959 127044 1 167739 1 31775 47642 1 120418 1 93943 109067 1 1 47981 1 50317 42429 40709 1 1 41223 48826 54531 1 39650 1 1 1 1 1 44420 45684 35812 34363 31880 1 50072 72550 73990 77698 80259 32153 29937 38262 1 1 41425 1 1 100570 74744 41690 42223 41900 44506 1 1 1 26428 52766 51596 45378 45195 49209 52196 60107 1 31310 1 40542 1 38720 34698 45815 39050 1 26809 1 1 1 47950 70840 1 1 1 1 26464 30704 1 98192 57326 72027 1 33074 1 32866 33498 38983 39132 37098 1 37620 40546 41720 42344 1 1 44882 46294 47800 48570 65345 1 37304 42295 1 13200 72179 1 62664 75507 1 59132 61034 50517 1 53000 879.4793@5.7988753 51981 9104 21223 20033 82771 9009 20712 70156 24483 22590 86353 91163 80453 80803 77359 79957 25105 24399 19181 18422 61874 61950 80338 37618 19890 21094 16871 18539 15101 11898 19724 17198 24516 1 23979 7436 68493 71842 14316 9461 57602 1 53746 54678 63095 67811 1 68736 1 53896 57042 20433 1 19860 69749 16050 17556 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51167 24187 43930 45364 41965 14989 24404 35324 45237 29993 40227 9793 39116 1 34260 34053 30009 25585 42683 37763 57094 18415 50460 50711 51159 51454 48184 47947 43743 26661 47371 44945 42552 39968 63257 49175 57936 1 60057 39877 36191 1 45869 44335 38414 27618 46433 50524 35045 39237 38088 45701 74203 80518 881.4943@5.8072715 1 1 1 57302 1 35018 53728 1 1 1 1 1 1 1 1 1 1 1 88224 90021 1 1 1 30422 1 1 1 1 50992 50822 1 51246 62862 1 46232 9712 1 1 57958 1 1 37122 1 1 1 1 50525 1 48190 1 1 1 44531 1 1 49069 52935 1 1 1 1 1 1 1 1 66278 1 67296 1 33136 39278 28656 1 1 1 22602 1 34054 45184 16005 38363 12139 48967 10947 32025 22127 1 13334 1 28386 1 1 1 1 1 14473 23658 25192 45243 1 1 26256 1 31090 1 1 61620 25830 1 1 42530 21892 34889 34191 1 1 1 40109 27933 1 1 1 1 45886 1 1 1 27935 49924 1 1 29759 1 16772 66819 46160 1 1 50426 1 1 49106 1 1 891.5393@5.816 1 1 1 1 1 1 1 1 1 1 1 3632 1 1 1 1 1 1 1 6021 1 1 1 1 1 1 1 1 1 1 1 1 1 12677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16361 1 1 1 1 1 1 1 1 1 1 9992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 866.5231@5.832621 1 1 8642 8337 12415 4918 1 8248 1 1 1 1 4279 7517 4010 1 1 1 7889 13206 1 1 8516 1 1 1 1 1 1 1 1 8415 1 7059 7423 1 8998 1 1 9728 1 1 1 1 1 1 8762 1 1 1 1 1 6658 1 7832 1 1 1 1 1 1 8351 1 1 1 1 1 4356 8244 1 1 5601 1 1 1 1 6800 6988 1 6477 1 6975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7077 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5308 1 6229 1 1 2799 1 1 1 6113 7021 1 1 7060 6659 1 1 1 1 1 1 1 1 1 1 1 1 6259 1 891.5361@5.8509216 23454 23804 25076 25657 27493 22929 20917 21533 25967 21868 30581 20711 29742 29257 31892 31828 28173 18877 25605 19413 18631 11936 23522 19357 24384 20059 17852 30455 15378 21280 22394 20201 29015 24829 20468 19012 18106 18180 14895 1 24972 26557 22855 24738 37926 38726 18618 19437 19797 14933 15139 18240 18091 18774 22643 19540 25220 22899 22866 21025 19582 19737 24496 22919 1 15109 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51571 53108 1 1 9395 1 14451 14652 131.0947@6.0575 175753 180370 213618 205852 228807 210518 189492 202566 263880 256899 183470 166859 166639 195525 1 206626 246665 221486 204191 214011 194807 197160 131946 125979 128524 125098 111709 159172 128246 129725 173821 187701 184317 169560 157373 136100 202563 198227 141119 142812 221054 191604 199262 211893 266755 274593 175810 171855 158286 148993 203282 202662 251027 240741 166107 155903 171571 195571 190377 185854 195446 187471 207335 217288 134125 142595 113981 108193 141429 136390 128215 126669 126317 133207 110048 102790 190003 185646 234769 242940 109813 108684 134051 139825 216489 223768 218101 201414 205497 172117 187894 163757 143050 152860 219029 224726 121794 140264 130648 124346 155048 146616 164658 157228 210781 207757 162429 168388 187230 180724 202171 200446 200970 186427 172160 176464 182448 149369 223137 210873 148963 142422 133298 141302 178380 186204 168702 169351 176227 171081 234566 228041 100768 109909 225331 216268 200357 198939 264558 261011 281580 277254 211182 210329 833.5847@5.9512143 1 1 4706 4286 6660 5306 1 1 1 4127 7461 1 4602 6063 6541 6767 9053 1 1 4961 6730 5765 1 1 4250 1 5421 1 1 1 1 5682 5161 4630 1 1 1 1 1 1 4249 4480 1 1 1 1 1 1 1 1 1 1 2914 1 2721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2916 1 1 1 1 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 2887 1 1 3710 1 807.5751@6.0618668 31344 34148 40354 36862 40156 38603 27486 28347 38386 38367 24562 25580 32742 37889 38204 40395 37626 34353 37429 34388 22196 20489 20515 20300 26688 28539 26252 28443 18320 17569 24261 23572 33779 33802 19216 18757 17903 18626 18045 19104 26129 27043 36531 35722 63364 63946 23415 22411 25655 17775 20550 19962 27365 28038 25727 24357 25497 23515 32461 29551 22651 18010 27095 26302 16503 15951 14415 1 15945 16272 17179 17094 23491 20933 1 1 18287 18552 20545 19840 10176 13330 16298 17832 23728 21140 20441 19928 21484 17878 24856 24335 15519 15998 26699 26184 17968 16303 16336 6820 18583 16151 14890 17074 20946 23031 20370 19272 18620 19700 30042 30832 28396 30273 21985 22672 19876 19863 21222 20569 14716 12630 12227 9234 29226 29254 27194 26175 26785 24354 29268 32187 12010 11907 25504 24040 28434 34738 25299 27149 28367 27905 31506 29735 984.6132@6.056039 1 2908 4837 3927 7181 6650 1 4408 1 8497 1 2778 1 4185 1 3719 6322 6126 7095 7463 3576 1 1 3402 6674 6319 1 1 1 1 4143 1 3711 1 1 1 4103 4347 3922 2258 2940 1 1 3522 1 4853 5455 1 1 1 1 1 4712 5141 1 4020 1 1 1 4747 1 1 3755 3793 4581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3330 1 1 1 1 1 1 1 4284 4593 5185 5137 1 4305 3619 1 1 1 1 1 1 1 1 1 1 1 4240 4363 1 1 4101 1 4713 1 1 1 5678 4820 8594 9897 7467 7464 6488 5613 1 1 849.5489@6.0635805 5735 5530 7901 7533 10515 10280 7127 8708 13035 11058 8893 8454 7043 7125 7004 7180 11461 9139 11381 11007 5564 6082 5297 5235 6974 6981 7289 8004 4906 4749 6175 6541 7388 6857 1 4768 5549 5686 5799 5908 4640 3767 4936 4229 5669 5208 1 5853 5926 1 3723 1 5467 5084 5307 5172 5855 5286 4337 3642 4450 11452 6219 3703 5075 6063 6380 5755 1 1 1 3625 1 1 1 1 4756 4658 4889 5382 1 1 4798 4524 4461 3708 4229 3215 3952 1 4342 4545 3330 1 3061 1 5319 4059 3907 4161 4000 4098 1 2947 4081 3763 6702 6098 5524 5268 3926 4369 4318 4102 4449 1 1 3930 1 4277 1 1 3868 1 4780 4997 4246 4102 4790 4498 4116 4624 1 1 7375 6991 6184 6080 6928 5900 6325 6194 5539 5209 781.5596@6.059216 1 23800 33570 33204 47639 33309 30457 31368 57398 55901 31835 30828 1 1 28793 31879 45276 39483 54320 51660 1 24371 21770 23412 35607 42774 28549 33243 18961 21164 25156 24626 34667 28912 20113 19020 29476 26087 27747 25937 1 19659 1 1 1 31813 27878 27402 26100 20804 20299 20233 26221 26877 24354 24645 25390 25008 25062 22800 21397 1 1 21943 28598 27749 21913 22277 17942 17425 20742 18500 21859 22558 1 6135 25971 26852 23377 23730 16361 15548 22022 21839 21751 21497 21225 19099 1 1 18984 20526 14359 13959 1 1 21513 19734 20956 5261 18335 15912 14100 13617 24412 21788 35026 30264 27723 28136 23919 24337 20458 19719 22037 19573 19699 20013 22301 21577 14666 12478 15103 13935 26130 25366 24636 23212 25189 27881 25354 23667 9818 10654 38643 36872 39322 40184 33125 14101 33836 34261 25343 25031 PE(22:2(13Z,16Z)/15:0) 7359 7705 5179 5487 8531 6702 6624 5911 7458 7219 7931 6879 6908 7735 12790 6871 8104 7258 6128 5762 5037 4376 5029 5241 4600 5370 4936 8694 3993 1 4947 5013 5423 5927 4083 1 5276 6036 4982 4756 5114 5063 7180 6144 10240 9950 6107 4787 6037 1 5359 4654 5283 5302 1 3757 3452 3662 5793 4466 3310 3691 13319 6113 3661 1 1 1 3108 1 3191 3632 4515 1 1 1 3432 1 3876 3843 1 1 1 1 4175 1 3641 1 4803 4381 4037 4223 2913 1 4783 4536 3207 1 2700 1 3186 2977 3935 1 1 4598 3183 3279 3815 3494 4666 5138 3662 4290 3583 1 1 1 4913 1 1 1 1 1 4561 5206 4588 5684 1 1 3945 1 1 1 4113 4311 5236 1 1 5636 5649 3568 4770 3967 823.5486@6.065615 21903 23152 25873 26089 27747 29538 19585 22084 30841 26707 20571 17781 28028 28321 29695 28554 32174 28065 29475 30216 18475 16677 20397 20253 23414 25474 22495 27526 16453 15788 22610 20432 29714 26325 18217 17722 15991 16254 13755 12698 24071 23422 25873 22894 46200 46317 21821 19235 19783 12351 15679 16184 19163 18737 18513 17707 20078 20185 21382 21855 16781 18553 22824 18694 11529 12459 12048 11157 13723 14381 17458 17908 14941 15435 1 1853 11608 12654 11393 11312 7649 7168 12275 12857 15005 13970 14800 13526 15129 13511 17036 16194 12222 12379 20578 20558 15575 14699 14729 14892 15192 15672 14956 15360 14973 14849 14653 16839 16059 16714 23420 25547 21327 21408 20710 19772 17032 16954 20017 17819 11617 12183 10225 9979 23573 24028 24452 24069 21612 20459 22426 23321 7408 9332 22078 21194 22873 25345 18272 18444 20387 19415 26797 28166 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) + 6.065796 19069 1 25062 23424 32918 33251 21967 25303 42435 41077 24830 24388 24490 24056 22342 22554 35747 32438 39650 41945 16020 17184 22160 21417 33345 33951 25820 1 15982 16088 22624 23419 24597 25092 19750 1 22558 21747 22530 21630 16206 14762 15584 16545 1 1 23797 22259 24858 14461 15235 16977 19843 20377 21367 19682 20137 20703 16612 1 16564 15846 1 17217 22480 24715 21129 20347 15378 14336 15503 15043 14117 13593 1 1 16623 16818 13616 1 10712 11624 15253 16358 14621 13749 15158 14732 12532 12929 15144 15215 10688 9827 11166 10363 19174 18187 16357 16668 14744 14610 11139 10594 13975 14161 26317 24575 24025 23230 20106 1 15566 15086 18480 16885 14888 15042 18049 17891 12722 13238 12378 12373 20873 21362 20233 20509 20167 19711 18385 18727 6508 6753 28328 29723 27964 30024 25644 25935 25391 24568 22365 20839 795.5227@6.0672445 1 4530 1 1 1 3497 1 3363 4786 4747 5465 4276 4404 4621 4370 4673 1 5644 3572 4098 3378 2715 3750 3590 1 4115 1 5479 1 1 3780 3325 4458 3922 1 3964 1 3778 1 1 4941 1 1 1 1 5919 1 1 4724 1 1 1 4022 3004 1 1 1 3117 3369 3065 1 1 11012 4334 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 1 1 1 1 1 1 4095 1 1 1 2933 1 1 1 1 1 1 1 1 1 1 1 4087 1 1 1 1 1 1 1 3089 1 2602 1 1 4733 3638 1 1 C3 H6 N3 O S 65472 1 50068 52678 65079 60747 52051 53261 49786 57183 53906 51599 56199 57710 64972 66141 51042 1 47770 47517 59591 54771 50876 1 47465 48242 46818 50087 45724 46892 73062 73375 57621 51939 56304 51415 49265 49451 51793 52367 56728 59876 58342 55759 79674 82909 57381 58157 49103 45300 53441 53064 54246 50277 59010 59088 52356 57345 63095 64155 38296 34050 42859 44804 52490 55735 45697 40291 42887 37470 44837 42158 29932 31347 33174 31228 47779 49342 54799 57260 40685 39640 47147 49635 60546 60000 39534 41649 44399 46743 51716 50732 42565 40606 59612 62440 1 48373 40817 41432 44773 50833 55300 54647 61505 60576 52615 54367 59660 1 56450 60633 69717 67363 56410 61205 48914 53353 58538 53784 39552 37796 34713 36929 53573 50387 48669 51637 52387 54466 27761 56972 33963 34199 68900 67130 51552 55559 64893 63269 58221 59765 54781 56047 102.0794@6.0822783 69699 71591 1 66303 62791 1 1 1 67047 1 55411 1 58182 1 59414 59881 52158 1 1 61711 65781 55022 63573 52734 1 56163 52279 59077 1 48621 1 56903 55831 1 1 62345 54890 54632 62063 59815 56983 52575 1 59142 52774 59758 1 51839 58846 60903 49960 54578 65509 55846 61587 47101 52347 55895 62497 52942 54399 50172 58679 68802 62489 58968 49761 53585 48240 1 69220 55901 56395 59643 54632 45920 1 52507 51917 49674 53715 1 60470 44656 1 50165 1 52716 1 52358 57260 1 68785 1 1 61377 53623 1 1 47692 48783 1 51676 54781 49541 48952 55122 32724 56513 30998 53100 57266 1 54679 55362 51410 50621 49169 50767 1 1 50192 56127 1 63579 1 54123 48396 53769 1 66709 56509 48309 1 56192 50658 1 62916 58177 54287 44984 53642 59410 47385 149.1053@6.081089 17745 1 1 1 1 1 1 1 1 1 1 1 22600 26055 1 1 14649 1 1 18047 1 17762 16105 1 16399 26095 1 1 1 22659 1 1 1 1 1 1 1 1 1 1 1 1 17165 16557 1 23235 1 13668 1 18087 13346 1 1 13542 1 11918 1 1 1 14632 1 14376 1 1 1 1 26081 22247 1 1 1 1 1 1 1 1 1 1 1 15267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13089 17662 1 11156 1 1 12554 1 1 1 1 1 1 1 1 1 1 1 1 11524 16969 1 15021 1 22356 1 1 1 13039 1 1 1 11954 1 12813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0956@6.0895996 5615 7255 17550 1 9313 1 1 6714 5896 6785 1 6144 15476 15311 12888 7285 13959 13496 14216 8209 15321 6861 5932 15119 13387 14811 14837 18970 1 14608 6777 16086 12490 14734 14165 6980 12035 17064 5749 6305 8559 14428 15900 12413 15150 20528 12832 19341 15205 15661 1 6169 13503 17555 25281 28073 6697 6228 1 7681 15949 14522 1 15302 1 1 6380 9136 1 15468 12796 16991 6295 16783 17430 22290 18731 9413 7526 1 6530 8480 13952 8158 14297 15876 13289 6640 13754 15445 5074 14229 5729 7602 6411 14250 16280 17551 13036 12904 1 15041 7906 6505 6416 7136 15947 7302 5291 15496 13614 9611 14672 6027 12306 7341 12859 6572 12238 14550 15364 17670 5948 14095 13415 15889 7510 17443 6856 14682 5875 15214 1 1 13167 7259 1 18255 11687 15681 12920 8551 12793 1 252.1216@6.089951 36213 40210 51057 61251 49759 59558 27812 27804 28765 31684 25929 19973 28371 35144 29278 31711 26685 32873 33507 33705 1 28648 27893 32023 26538 32272 29741 39145 27663 26611 35403 40288 25343 27542 24436 34606 26215 28992 26142 30505 26305 24539 27487 31583 29192 32100 27610 34723 28671 32320 25778 33733 23934 32589 76126 81677 16072 28909 27600 18682 28729 31711 25333 30030 26267 31926 25476 31532 25999 32034 27087 32010 32397 33783 16150 29940 50866 52898 54707 59463 28293 28980 24456 35089 25554 28923 25821 28857 1 28963 27401 27929 26496 30471 29150 30408 44453 47625 23888 17355 22320 26974 23745 26398 26746 30325 26675 29308 25768 25323 28982 31032 24615 25887 27076 29150 25036 19212 26052 25635 37087 24760 22578 27284 34837 22732 48564 50861 24796 27751 18091 28212 25936 27692 26883 36460 1 31638 15216 28993 26115 28935 28234 26787 105.079@6.074436 31516 41946 41046 38385 41959 40079 36991 1 39938 32552 1 37006 38911 33914 34718 38488 1 32097 30123 37743 29680 29868 36455 36359 33951 34239 12268 31493 33344 32650 40505 30720 33400 35045 34394 37123 33832 31961 33115 34421 33066 36568 31617 38112 32748 40955 1 31903 31565 31422 30119 30287 35476 29363 38106 33704 30327 31295 31098 33787 37344 32163 31937 38303 34212 34842 30652 32790 32873 36838 28076 38904 36458 38317 39573 33569 34802 36357 36299 32266 32814 34169 35406 1 34339 38408 30034 35404 31374 32024 35630 38067 36741 33065 1 41606 35315 27024 34253 38523 29506 37219 35947 36021 38506 36535 41090 35613 38657 35184 41179 40318 42788 1 31810 35331 37035 37310 30741 37900 32861 41267 35335 30715 31322 32978 1 39877 37726 37389 38001 32888 41921 39979 35715 32744 37460 41353 41016 40118 36489 35148 38077 28429 344.8907@6.0807543 10005 1 1 1 1 1 13098 1 11458 1 1 1 1 10798 8477 1 1 1 1 4776 12456 8597 1 1 1 4776 1 1 11423 1 9171 1 10164 1 1 1 10090 11888 12955 4044 12785 1 1 1 1 1 8683 1 1 1 1 11037 9107 1 10702 1 1 1 8960 7204 1 1 11071 1 1 1 1 1 1 9265 1 1 1 12431 1 3828 15979 8193 1 1 1 1 11943 1 1 1 1 7738 10210 8348 10294 8540 9532 10054 1 1 1 1 1 1 11943 1 1 1 1 6500 1 7498 1 4288 1 1 1 11626 10229 10251 1 1 1 1 10072 1 9739 5195 1 1 8636 4891 1 7172 1 1 10055 7843 1 1 12239 7216 8496 1 8743 1 1 12763 163.1211@6.1011953 1 18514 15942 1 1 1 13155 1 13025 1 1 25038 14141 1 1 19838 1 1 13051 11008 18186 20395 1 1 1 1 1 11975 1 14891 1 12949 1 13162 9883 12937 15234 19008 15170 1 1 1 1 1 1 11961 14514 12293 20116 13316 1 1 13912 1 1 1 33948 37277 15899 1 22011 21976 17805 14741 1 23216 11620 1 12631 1 1 1 1 1 11305 11033 1 1 1 12327 14238 14790 12924 8391 15195 14878 13219 14077 1 11752 1 1 1 1 19985 1 18932 17879 1 1 262791 266904 1 12863 10843 11809 1 9937 1 10311 1 17581 19038 18880 12797 10276 1 1 12339 1 22863 20133 12838 1 1 1 9404 1 1 15363 1 1 1 1 1 1 1 9771 15639 14639 1 1 1 1 Cycloleucine 100938 101448 77921 71212 70549 64794 73410 74045 1 76035 1 45230 37905 40328 44219 49953 83616 80654 76513 81023 45809 51236 61633 59653 50801 54810 127525 138429 115100 127636 48705 44213 1 54743 68995 49627 69015 76721 1 1 78599 69754 88597 92159 1 39389 85348 80524 63558 68196 1 59083 1 53710 44534 45638 1 38975 62159 74274 84749 71985 79915 82225 93803 106504 95550 91457 77473 80038 83176 71246 1 1 40151 51574 95858 96591 94930 94968 59949 59146 78651 76242 63526 61900 70411 77383 57322 54546 64901 62981 62646 1 1 38097 59568 48965 1 49403 1 61892 62532 69640 53930 59519 67812 71437 1 59841 122664 131126 115838 116328 75200 80473 64360 62928 35352 36836 70759 74924 73818 67679 105263 114610 104563 106632 314245 321132 221589 221982 40239 1 74753 73677 67874 69286 1 30347 36049 1 1 1 9(S)-HpOTrE 10526 11365 11073 9735 6984 8130 9422 7797 15971 14958 7345 10087 16692 14912 15456 15874 17730 17765 11278 11907 16534 17051 9062 8033 5448 1 16109 17686 15634 15037 9074 8137 14360 14063 9709 11202 1 10375 13274 14514 19476 19036 23533 24223 1 10280 16168 15134 10746 9442 8184 7818 7425 8717 1 10492 10996 10406 5469 1 1 1 9308 1 16254 15246 10052 9884 14858 14810 12926 13761 5706 5159 1 1 16889 18740 14418 15985 1 1 1 10202 19812 20694 9329 8450 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